#DEFINITION	Reference Metabolome for Forsythia viridissima
#IDENTTFIER	RefMeta-Forsythia viridissima.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Forsythia viridissima
#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 Forsythia viridissima 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	1018.5953
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01349	1.1
71.04997	4.3
73.02939	4.3
75.62762	0.8
76.53808	0.9
77.03915	1.3
79.05499	46.6
79.44009	0.9
81.03430	12.2
81.07062	65.9
83.04985	7.2
83.08627	13.4
85.02909	21.1
85.06538	3.0
87.04466	3.4
91.03966	8.4
91.05491	31.7
93.07050	47.6
95.04979	6.7
95.08611	43.6
96.04462	0.9
97.02907	11.0
97.06553	6.3
97.10179	13.4
98.21479	1.4
99.04422	1.0
99.08035	1.3
105.04535	1.3
105.07046	16.8
107.04942	3.2
107.08605	31.1
109.06511	3.5
109.10164	61.8
111.08076	3.5
115.03889	1.0
115.05444	1.0
116.06190	1.4
117.07038	7.8
119.08588	17.1
121.09345	1.6
121.10155	22.0
123.08061	2.8
123.11726	6.9
125.09648	13.5
127.03912	4.3
129.05536	1.6
129.07007	3.0
131.08580	14.4
133.10146	10.7
135.08055	1.6
135.11697	12.6
137.09572	3.6
137.13292	2.3
139.11142	1.0
143.08549	1.7
143.10632	2.5
144.09258	1.1
145.04977	3.9
145.10136	12.3
147.11703	7.1
149.09636	2.8
149.13268	6.8
153.12718	3.6
155.08586	1.2
155.10593	5.1
157.10123	1.9
159.11684	7.1
161.13284	5.5
163.03877	2.7
163.06020	4.1
163.11198	8.9
163.14828	4.0
167.10558	0.9
171.11690	2.2
173.09592	1.2
173.11737	13.8
173.13275	6.1
175.11163	1.6
175.14850	2.2
181.12233	2.6
185.13243	2.2
187.14787	3.1
189.11247	1.4
191.10596	2.4
193.12251	4.2
197.13327	1.1
199.13297	6.6
199.14859	1.3
209.11739	6.2
211.13235	1.5
219.17439	1.0
227.12801	8.2
229.14371	52.8
243.21074	6.4
257.13773	2.3
259.20587	1.8
261.22180	20.3
267.15942	5.9
277.21677	1.4
283.15451	2.7
285.16888	1.2
286.49677	0.9
287.20169	1.1
289.21640	1.3
301.16473	15.4
315.23227	2.2
317.24744	3.9
327.23175	2.1
333.23972	1.3
335.25818	100.0
336.26132	1.3
345.24048	0.9
351.25592	1.4
363.25378	1.9
389.26813	1.3
399.23843	14.9
433.30908	1.0
444.02438	0.9
459.34695	2.0
463.83582	1.0
477.35922	9.9
487.34164	1.2
489.28943	1.7
489.35800	27.0
502.51169	0.9
543.36768	4.7
561.38000	12.3
579.39014	6.3
659.45221	42.5
845.06555	1.3
985.26990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5953
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01349	1.8
71.04996	4.8
73.02925	5.6
77.03925	1.0
78.94345	0.9
79.05499	50.8
81.03424	10.6
81.07063	71.0
83.04995	7.2
83.08632	16.8
85.02912	23.4
85.06541	3.4
87.04481	6.9
91.03965	10.1
91.05489	39.1
93.07052	50.7
95.04977	8.6
95.08616	46.0
97.02897	11.7
97.06557	5.9
97.10178	17.7
99.04467	1.9
99.08082	2.3
103.03973	1.1
105.04539	2.3
105.07043	18.3
107.04953	3.3
107.08606	30.5
109.06539	3.4
109.10165	74.2
111.04452	2.1
111.08086	5.2
113.06039	1.1
115.03968	1.3
115.05505	1.4
117.07034	8.5
119.08587	19.6
119.09466	1.0
120.08850	0.9
121.06513	1.4
121.10149	22.3
123.08085	3.7
123.11703	5.6
125.05981	1.0
125.09641	16.4
127.03922	4.2
127.65557	1.1
129.05478	3.2
129.06999	3.0
131.08566	14.0
133.10153	11.5
135.11703	14.5
137.09641	4.3
137.13257	2.3
139.11203	1.1
143.08604	3.1
143.10683	2.2
145.04971	5.4
145.10144	11.9
147.08098	1.9
147.11685	9.0
149.09630	2.0
149.13290	7.7
153.12775	3.7
155.08568	1.6
155.10661	6.5
157.10146	2.7
159.11714	8.3
161.13255	6.6
163.03908	1.4
163.06001	4.9
163.11244	11.4
163.14830	3.3
165.12738	1.4
171.11755	2.8
173.09607	1.6
173.11751	16.9
173.13289	6.8
175.11186	1.4
175.14842	3.5
177.12737	1.2
177.16360	1.4
181.12248	2.2
183.11810	1.2
185.13326	2.0
187.11208	1.0
187.14819	3.9
189.11258	2.6
191.10674	3.2
193.12273	4.4
199.13319	8.6
199.14867	1.7
201.16435	1.9
203.12752	1.5
209.11736	7.6
211.13228	2.5
217.14365	3.0
218.05447	0.9
227.12761	12.5
229.14371	65.2
233.22629	1.1
242.08772	1.0
243.21114	4.9
245.13860	1.1
257.13940	1.8
259.20645	2.1
261.22165	22.2
267.15872	7.1
275.20108	1.4
277.21606	1.6
283.15491	2.8
289.21786	1.0
297.22119	2.5
299.23743	1.7
301.16440	21.5
301.21762	1.2
315.23218	3.4
317.24802	4.0
327.23273	2.6
333.24255	2.3
335.25827	100.0
336.26144	1.5
344.38342	0.8
351.25266	1.2
363.25430	2.6
382.39954	1.1
389.27100	2.5
399.23868	24.7
401.27191	1.2
415.31961	1.7
436.64609	1.0
451.32010	1.5
459.34680	1.2
477.35757	6.9
487.33987	1.2
489.35822	27.7
517.35779	1.9
527.37292	1.3
543.36902	7.7
545.38580	1.5
561.37860	12.2
579.38989	6.1
644.06458	1.0
659.45203	38.3
660.45258	1.2
990.09796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.3
53.03714	1.1
53.03949	14.1
55.01876	1.4
56.96572	4.7
57.62078	0.6
67.51057	1.0
77.03925	2.8
79.01848	1.2
79.52045	0.9
81.03404	1.6
85.02928	0.8
91.78916	0.6
95.04974	11.6
98.20741	1.3
102.04690	3.1
103.05473	100.0
105.04530	6.3
106.02834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Choline
Peak:m/z	Relative Intensity
51.57792	0.2
58.06596	3.3
59.07380	1.0
60.08167	34.1
69.44158	1.0
69.44563	0.3
86.09686	0.2
87.00549	0.2
87.04446	0.3
104.10749	100.0
105.11099	0.3
120.66338	0.2
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
50.01592	0.3
51.02388	1.0
52.05864	0.2
52.82387	0.2
53.03953	8.3
55.01876	0.5
56.96569	1.0
71.45088	0.5
71.51106	0.2
74.03076	0.2
74.42158	0.2
77.03940	3.3
79.05502	37.7
81.03451	0.5
83.20863	0.2
95.04978	7.9
95.05582	0.5
99.01788	0.2
99.76018	0.2
103.05479	27.1
104.05811	0.3
105.04546	4.4
105.07041	100.0
106.07383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02385	0.6
53.03944	8.5
55.01870	0.8
56.73383	0.6
63.07709	0.5
65.03944	0.7
69.74544	3.1
77.03929	2.4
79.05497	34.5
91.27252	0.7
95.04970	8.0
98.20834	0.7
103.05472	24.7
103.06158	1.2
105.04543	5.0
105.07033	100.0
106.07355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03944	2.6
55.01876	1.1
62.76281	0.6
65.03943	11.4
67.05515	2.1
69.18798	0.6
71.02750	1.5
72.69573	0.7
79.05499	23.6
80.04281	0.6
86.20441	0.6
91.05486	100.0
92.06266	2.8
95.04972	2.6
105.04522	1.1
105.07038	35.6
106.04187	2.1
107.04967	19.1
107.08599	57.1
109.05810	0.9
109.06523	13.0
119.06075	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	1086.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05485	0.9
81.03427	3.9
81.03876	0.5
81.07045	0.4
81.97337	0.4
85.02901	11.3
91.03931	0.8
91.05487	1.3
93.03386	0.5
94.04184	1.8
95.04959	0.4
97.02888	3.7
99.04467	0.6
103.05460	1.3
105.70702	0.4
107.04955	1.8
108.05727	0.8
109.02897	0.8
109.06512	1.2
111.04452	0.4
115.05450	5.9
117.07019	1.4
119.04961	0.4
121.06513	1.1
122.03669	3.7
122.04494	0.6
124.05210	0.6
125.05981	1.1
127.03929	2.6
127.05371	0.4
128.06223	1.5
129.07007	4.9
131.04912	3.2
133.02870	1.1
135.04414	1.4
136.05202	4.0
137.05977	82.4
138.06386	0.6
139.07565	2.1
143.04919	10.9
144.05658	2.5
145.04953	3.7
145.06470	2.1
146.03612	0.5
146.07297	0.8
147.08028	0.6
149.05981	1.2
151.03993	1.0
151.07545	47.0
152.07957	0.4
153.05458	1.8
157.06483	6.7
158.07277	6.0
159.04443	2.3
159.08044	1.1
160.05205	13.8
160.08768	0.5
161.05989	3.1
162.07657	1.0
163.07518	2.8
165.05504	1.6
165.09105	0.7
167.07056	2.3
171.08043	0.8
172.05186	1.6
172.08817	3.9
173.05978	2.6
173.09752	0.5
174.06769	30.8
175.07542	94.4
176.07858	0.7
177.05516	0.7
177.09120	4.7
179.07027	1.6
180.08676	5.6
181.06473	0.5
182.07306	0.4
186.06804	2.2
187.07539	31.7
188.08327	5.3
189.09103	100.0
190.09427	1.5
191.06891	0.7
191.10632	1.1
193.08591	0.4
199.07643	0.5
201.09102	44.3
202.09514	1.1
203.08806	0.5
203.10658	11.2
205.08591	20.0
211.07570	0.7
213.09151	0.7
216.07796	0.6
217.08549	4.1
217.45950	0.4
218.07123	0.6
219.10149	20.6
225.09064	1.5
231.08156	0.9
231.10146	14.3
233.09595	1.3
234.10414	0.6
235.09644	40.5
236.10036	0.5
239.07053	1.3
241.08575	2.4
245.09651	1.2
246.10329	1.5
247.07558	1.5
248.08188	0.5
249.11223	47.6
250.11545	0.5
251.10606	0.7
253.08582	1.3
254.09366	5.9
255.06557	1.7
261.09097	2.8
262.09894	2.9
263.07095	0.6
263.10617	1.4
265.12262	0.6
267.10132	0.6
269.08099	4.9
270.08807	2.8
273.09152	0.9
274.09943	2.6
275.07333	0.7
275.10623	1.3
276.07806	0.4
277.08911	0.8
277.12247	2.5
279.10138	2.1
282.08820	0.5
283.09625	0.4
284.10422	15.6
285.11191	14.1
290.09390	2.4
291.10165	5.4
293.11752	3.2
294.12402	2.4
295.09686	1.0
297.11203	3.7
305.11734	10.2
306.12488	7.8
307.09637	2.3
307.12933	0.8
310.11951	3.7
311.12814	0.8
319.13141	0.4
321.11420	0.4
322.12009	5.2
323.13055	0.8
325.14307	9.4
327.15854	1.7
337.14334	40.4
338.14600	0.9
343.15289	0.5
355.15393	76.7
356.15747	1.3
373.16589	0.8
390.18732	0.4
408.51794	0.4
463.07004	0.4
525.36371	0.4
552.24481	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03749	1.3
53.03950	12.5
55.01865	5.0
56.96567	47.2
62.62975	1.2
65.03947	12.7
66.04728	3.0
67.05501	2.5
69.42068	1.5
71.39409	2.6
74.97594	1.8
77.03954	1.5
79.05500	49.6
80.58704	1.5
81.03415	9.5
81.07058	63.0
81.28136	1.5
82.00795	2.6
86.02070	3.5
87.01037	2.8
90.04678	3.1
91.01287	8.0
91.05482	68.5
92.02071	2.0
92.02618	1.8
92.05782	2.8
93.51398	3.2
94.04184	31.8
95.04960	3.3
97.01290	1.9
100.01801	22.4
100.02416	2.5
100.51926	1.4
101.02592	7.2
102.51958	1.6
106.01800	5.9
107.02551	2.6
107.04950	19.2
109.02322	11.9
109.02950	1.7
109.06521	100.0
110.03110	3.4
111.04440	2.2
115.02320	6.0
116.03124	1.9
118.04161	3.0
119.04986	8.8
119.06054	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	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03718	1.2
53.03950	16.6
55.01876	4.5
55.05513	5.1
61.98521	0.7
65.03938	5.6
65.48251	0.5
66.04720	1.4
67.01840	0.9
67.05507	57.3
69.07061	2.8
70.19246	2.7
74.29710	0.6
74.99845	0.9
77.50079	0.6
77.99955	1.0
79.05495	43.3
80.06281	0.8
81.03422	22.5
81.07058	50.8
86.00700	3.6
86.50614	3.0
87.00471	8.3
91.05487	10.3
94.04192	6.2
94.07803	1.1
95.04986	1.4
98.21422	1.0
98.51266	0.8
105.04555	0.7
107.04971	2.8
107.08596	1.7
109.02896	8.5
109.06520	100.0
109.10159	33.2
109.10925	0.8
110.06061	2.3
110.06781	1.1
111.96859	1.4
112.96712	1.3
113.96400	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	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02376	0.9
53.03952	15.6
55.01873	3.9
55.05510	6.6
63.96366	0.9
65.03942	4.6
66.04707	0.8
67.05508	64.9
69.07064	3.4
69.61694	1.5
69.62106	3.0
72.18147	0.7
77.73518	0.9
79.05498	36.3
80.84049	0.8
81.03417	13.9
81.07059	52.8
87.00448	1.2
91.05492	11.7
94.04182	5.1
107.04955	2.8
107.08589	2.4
109.02914	4.3
109.06522	100.0
109.10159	45.2
110.06030	0.9
121.03883	0.8
123.84730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.88122	0.6
53.03954	5.7
55.01865	0.8
55.05511	10.2
65.03941	4.0
67.05508	100.0
69.07067	6.5
69.40395	4.9
77.99957	0.6
79.05498	13.4
80.06272	1.4
81.03427	7.3
81.07057	37.4
86.50613	0.8
91.05476	2.9
93.07053	0.8
94.04200	2.2
94.07861	1.0
95.04945	1.0
98.20795	1.4
107.04960	1.0
107.08614	4.2
109.02882	2.6
109.06519	12.3
109.10160	68.0
110.06035	1.1
110.10472	1.0
111.88709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56198	0.5
53.03956	7.3
55.01870	0.5
55.05515	10.0
65.03934	3.4
67.05508	100.0
68.05830	1.1
69.07073	7.1
77.50098	0.8
77.99935	1.1
79.05495	12.7
81.03423	9.2
81.07058	37.5
86.00700	2.6
86.50633	2.6
87.00462	4.6
91.05482	2.3
94.04185	1.9
94.07822	0.6
98.51233	1.1
99.92474	0.4
105.04557	0.5
107.04955	0.9
107.08614	3.8
109.02900	3.9
109.06525	11.3
109.07658	1.2
109.10159	73.3
110.06035	0.8
111.96867	0.6
113.96414	1.6
115.54568	0.5
129.97974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0809
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
53.03948	18.4
55.01876	66.8
55.05516	61.5
56.96564	2.4
63.85712	1.6
65.03947	16.3
67.05505	16.8
68.05016	4.3
68.99786	2.4
69.03426	11.4
69.06804	1.6
69.07073	18.6
69.35374	8.6
69.35803	5.9
70.06599	1.9
76.51604	1.9
76.53500	1.8
77.03912	1.8
78.99989	4.2
79.05496	4.4
81.03411	2.4
81.07055	26.3
82.05345	4.5
83.04987	26.2
83.06107	5.9
83.08618	4.3
86.65697	1.5
87.00478	8.7
87.50611	5.1
88.00488	100.0
88.50673	2.5
89.00244	3.9
91.04913	2.8
91.05486	60.7
93.03413	5.9
93.07052	78.0
95.01218	1.8
95.04971	15.3
97.01007	58.7
98.00764	2.5
99.51274	8.3
105.04525	9.1
108.51819	3.2
111.04455	70.6
111.05611	11.4
111.06361	4.4
111.08085	78.4
111.09238	3.9
112.07612	4.1
113.96392	2.6
114.96723	2.7
115.96447	25.4
116.97215	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	111.1173
Annotation	2,3-DIMETHYL-1,4-HEXADIENE
Peak:m/z	Relative Intensity
53.00305	0.5
53.03952	0.9
55.05516	32.0
57.07075	1.3
58.06601	1.5
67.05496	1.3
69.04546	0.4
69.07074	100.0
69.66109	0.4
70.06601	3.6
70.99614	1.1
80.20778	0.5
83.06099	1.3
111.04440	0.5
111.05611	3.0
111.06298	0.7
111.09223	6.2
111.11719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
84.95979	1.2
85.02869	0.4
98.20706	0.9
98.97591	16.3
105.00149	0.4
110.97602	2.6
116.98625	4.7
123.01101	0.5
124.99111	0.5
128.98602	3.3
134.99585	0.8
140.98573	0.7
143.00117	1.3
144.98074	0.4
145.92801	0.4
146.99651	0.9
151.00604	0.7
158.99675	9.7
161.01224	1.1
163.03944	0.4
169.01741	0.5
170.99666	2.7
176.99380	0.6
177.00676	6.2
177.02234	1.5
179.03731	0.6
182.99606	2.4
189.00777	2.4
194.99564	0.5
195.01688	0.5
195.03375	2.3
197.01173	1.5
201.00726	6.5
205.01721	0.5
213.00829	0.7
215.02216	0.6
219.01776	7.0
221.01218	1.2
223.02782	3.6
231.01704	0.6
237.02829	3.4
239.02335	2.9
241.03789	3.4
243.01833	2.7
249.00612	2.5
255.03902	1.4
257.03351	1.0
261.02826	7.8
265.00208	1.8
265.03845	1.1
267.01721	3.1
279.03888	4.3
283.01248	3.2
283.04614	1.0
285.02826	31.0
291.03998	0.8
302.05511	0.5
303.03888	44.9
304.04285	0.5
308.04462	0.5
309.02747	9.6
309.05957	0.7
321.04935	1.9
326.05536	0.7
327.03894	66.3
328.04245	1.2
341.05634	0.6
345.04959	14.8
350.05450	1.8
352.36810	0.5
362.09760	0.6
369.00549	0.8
369.04971	13.6
370.05746	0.5
380.07562	0.4
387.05936	4.0
429.07056	12.1
441.09027	1.4
441.14450	0.5
447.08124	15.8
470.09622	0.9
489.09155	5.9
519.10138	2.1
549.11444	2.6
573.11157	0.6
591.12280	4.3
609.13647	2.4
651.14374	1.4
771.18671	100.0
772.18799	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	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
54.95401	0.9
55.05502	3.0
57.03443	7.6
57.07080	32.5
65.03962	4.4
67.01875	2.8
67.05508	47.0
68.05028	1.3
69.03438	1.7
69.07046	2.2
69.93253	4.0
70.02957	2.0
70.06598	1.1
71.01346	1.1
71.04999	11.4
71.94093	2.2
72.93779	2.5
83.04990	1.2
83.82816	0.9
85.02898	1.2
85.06548	17.7
90.00137	1.1
91.40273	1.2
95.01318	2.5
95.04975	19.1
95.08629	2.0
98.20786	1.0
113.02374	100.0
113.03589	3.7
113.06006	17.0
113.07880	1.4
113.09628	2.7
113.10764	1.5
113.31492	0.9
114.02677	1.1
114.05544	1.3
114.09175	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	115.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49376	0.4
55.01862	0.4
56.20186	0.4
58.50361	0.4
59.04996	1.7
65.03933	0.6
69.03427	0.6
69.07050	0.7
70.06597	2.0
71.53152	0.6
74.24622	0.4
87.04472	2.0
89.03922	2.0
115.03960	2.3
115.05464	100.0
116.05810	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73634	0.2
59.05015	0.3
61.69874	0.2
65.03941	0.8
68.07641	0.2
69.53992	0.9
69.54412	0.6
70.06591	0.8
89.03924	1.9
98.21500	0.3
115.05460	100.0
116.05796	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22104	0.3
57.61291	0.3
58.52606	0.3
63.02399	0.3
64.69418	0.3
65.03939	0.8
69.07063	0.4
70.06591	0.8
70.07778	1.0
70.08189	0.7
76.64242	0.3
89.03919	2.3
98.21462	0.4
115.05463	100.0
115.73106	0.3
116.05834	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.7
65.03940	1.1
69.03426	1.1
69.07066	2.5
70.06601	2.5
71.52747	0.4
71.53127	0.4
73.06555	0.6
73.32855	0.4
76.06036	0.4
81.90602	0.4
87.04482	3.4
89.03926	2.2
97.06563	0.7
106.09985	0.4
115.03919	2.7
115.05460	100.0
116.05814	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0758
Annotation	cis-3-Hexenoic acid
Peak:m/z	Relative Intensity
53.03945	2.2
55.01873	8.8
55.05513	6.9
57.03439	8.8
57.23508	0.5
59.05005	16.1
67.05511	6.0
69.03092	0.4
69.03432	10.9
69.07072	100.0
70.06597	12.9
70.07413	1.1
71.01340	0.7
71.05007	1.8
71.51250	0.6
72.93796	1.3
73.02930	2.1
73.06557	18.8
73.93828	1.6
74.93836	2.2
79.05498	14.6
80.05838	1.6
83.01358	1.4
85.02917	1.4
87.00843	1.8
87.04472	16.9
92.94882	1.3
95.04960	0.7
97.02876	3.1
97.06535	51.8
98.06873	0.6
115.02779	0.9
115.03011	0.9
115.03935	15.9
115.05418	5.1
115.07573	8.4
115.08740	1.1
115.09492	11.0
116.07112	1.8
130.08308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.20322	1.3
51.02378	4.9
53.03954	43.5
55.01868	1.5
55.05515	3.7
58.06595	3.8
59.07381	2.8
71.18420	2.9
72.08163	20.3
77.03940	7.2
79.05515	1.8
81.03414	4.0
86.86073	1.2
91.04904	2.6
91.05489	48.6
93.07051	1.9
95.04980	36.3
103.05490	1.6
104.06259	3.4
105.04523	23.3
117.07018	6.9
118.06561	100.0
118.07301	4.5
118.08648	13.0
118.12404	1.4
119.08591	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	118.0867
Annotation	L-Valine
Peak:m/z	Relative Intensity
50.08053	0.2
50.93208	0.2
51.71900	0.2
53.03949	1.0
55.05516	16.9
56.05040	0.3
56.05849	0.2
56.96570	2.4
57.05808	1.0
58.06607	0.3
59.07368	0.2
62.25809	0.2
69.63367	1.2
72.08160	100.0
73.08501	0.4
91.01276	0.4
91.05488	2.4
93.02897	0.2
93.51432	0.2
95.04979	0.4
100.01822	0.9
100.02480	0.4
101.02594	0.7
105.04552	0.3
106.01810	0.5
109.02318	0.5
110.03112	0.4
114.35073	0.2
115.02317	1.1
118.04176	0.4
118.06538	1.3
118.08652	2.1
119.04996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03946	1.2
61.59365	0.4
65.03946	11.0
69.16528	1.1
69.16925	2.5
79.05495	1.4
81.65101	0.4
85.14396	0.4
91.05491	100.0
92.05836	0.6
93.07053	1.4
95.04988	0.7
96.05297	0.5
103.05481	2.6
104.06253	2.4
115.05460	1.1
117.07029	7.5
119.04956	42.3
119.06841	1.5
119.08594	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	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03939	1.0
55.27091	0.4
65.03941	13.1
71.52811	0.7
74.87643	0.4
79.05489	1.5
91.05484	100.0
92.05811	0.7
93.07025	1.5
95.04994	0.5
102.33326	0.4
103.05465	1.9
104.06248	2.3
105.04546	0.5
115.05495	0.6
117.07026	5.7
119.04949	40.6
119.06705	1.8
119.08582	29.2
120.05269	0.5
123.26282	0.5
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	Unknow
Peak:m/z	Relative Intensity
50.50951	0.4
51.02394	0.5
53.03952	1.6
54.04290	0.8
65.03945	13.3
71.51515	0.7
79.05508	1.4
84.40820	0.5
91.05489	100.0
92.05829	1.0
93.07042	1.0
95.04980	0.4
95.76095	0.5
96.05311	0.7
103.05468	2.0
104.06258	1.6
106.04916	0.6
115.05453	0.8
117.07023	5.4
119.04957	39.9
119.06738	2.7
119.08588	23.0
120.05399	0.5
137.15335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29147	0.5
52.82998	0.5
53.03958	2.8
65.03936	3.1
69.46712	3.5
70.25330	0.5
78.04708	0.6
79.05497	4.5
84.73514	0.5
91.05485	71.2
92.05825	0.9
93.07050	3.8
95.04984	1.8
96.05322	0.6
100.39061	0.5
103.05464	7.8
104.06243	8.5
104.09748	0.5
105.04524	1.0
109.06560	0.5
111.40533	0.5
115.05457	2.9
117.07021	16.0
119.04960	5.0
119.08585	100.0
120.08924	1.1
131.06053	0.7
139.49960	0.5
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	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03949	1.4
57.24741	0.4
65.03943	2.0
70.59725	0.4
70.71449	0.5
70.71810	1.3
77.42516	0.4
79.05484	3.7
81.39915	0.5
83.31538	0.4
84.52919	0.4
84.94960	0.6
91.05486	100.0
92.05842	0.8
93.07035	2.2
95.04984	0.8
96.05320	0.8
103.05470	5.0
104.06257	5.3
115.05499	2.3
117.07030	11.9
119.04968	3.4
119.06094	1.4
119.06869	2.9
119.08586	56.0
129.95749	0.5
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	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02360	0.6
53.03955	1.6
61.44775	0.4
65.03940	4.7
69.35484	4.0
78.04699	0.6
79.05502	5.4
82.18251	0.5
86.05747	0.5
91.05486	81.7
93.07037	3.6
95.04977	1.2
96.05334	0.5
103.05470	6.5
104.06257	7.5
105.04520	0.8
106.04887	0.5
115.05464	3.4
117.07029	15.9
119.04963	10.2
119.08588	100.0
120.08920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03951	1.3
65.03944	2.2
69.21877	3.9
69.22478	0.3
71.24934	0.5
72.17746	0.4
73.31411	0.3
74.81966	0.5
79.05495	4.4
91.05484	64.5
92.05793	0.6
92.76728	0.4
93.07050	3.5
95.04973	1.5
96.05309	0.5
103.05460	6.4
104.06247	5.9
104.73097	0.4
105.04503	0.9
109.06561	0.6
115.05460	3.3
117.07021	17.3
119.04967	3.5
119.08584	100.0
120.08932	0.8
131.06091	0.5
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
53.03941	1.4
53.12613	0.5
55.86713	0.5
69.33080	2.5
69.33502	2.2
71.88355	0.6
79.05489	1.4
91.05488	7.1
92.05821	1.7
93.07047	13.2
95.04968	1.8
102.09245	0.5
103.05472	50.6
104.05801	0.9
105.04517	0.9
115.53048	0.5
116.28329	0.5
118.06522	0.9
119.07323	0.6
120.08110	100.0
121.06500	1.8
121.08444	1.6
121.10129	0.5
134.65694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02379	1.2
53.03715	0.6
53.03951	10.4
54.13039	0.4
55.01865	2.1
56.00254	0.4
56.96566	14.5
57.03433	1.0
57.84362	0.4
59.52216	0.8
61.02931	0.7
64.95554	0.6
65.03944	5.8
66.04713	1.4
66.05029	0.4
67.05492	0.7
68.00263	1.1
69.95005	1.6
69.95424	0.8
70.98098	0.9
73.02903	0.6
74.00233	0.6
74.97624	0.6
75.01045	1.1
77.00801	0.9
77.03933	4.9
78.04705	2.2
79.05495	5.3
80.06279	1.3
81.03415	2.2
81.07052	0.7
82.01450	10.5
82.01935	0.5
83.00774	2.0
83.01509	1.0
84.96043	0.7
85.02861	0.4
86.51855	0.4
88.02803	0.7
89.00773	1.6
89.01473	0.4
89.03908	0.9
90.01554	0.9
90.04707	2.6
90.52941	1.8
91.05483	90.5
92.01339	0.7
92.02614	2.1
92.03026	0.7
92.05786	3.3
92.06337	1.8
92.53026	0.6
93.07047	52.1
94.04194	0.4
94.53197	1.9
95.00771	0.4
95.03360	0.4
95.04373	0.8
95.04974	15.2
95.08598	1.1
95.53983	1.2
96.01584	0.5
97.00113	2.6
97.01298	0.8
97.02312	1.1
97.03343	9.1
97.53419	1.1
97.99188	1.0
98.01299	2.4
98.02063	3.8
98.02942	2.7
98.20791	0.4
98.97591	4.3
100.02485	22.3
100.03607	1.8
100.53186	1.0
101.02573	1.8
102.04704	0.5
102.96890	0.6
103.05471	63.6
103.53722	20.1
103.54427	0.5
104.03806	2.6
104.04385	0.4
104.05787	0.9
104.52644	0.5
104.54500	11.1
105.02042	0.5
105.03448	0.4
105.04530	9.9
105.07068	0.7
105.54451	0.4
106.01800	2.6
106.03865	0.8
106.51953	1.0
107.01842	1.4
107.02573	18.6
107.03329	0.9
107.04968	0.8
107.08617	0.5
107.52744	1.3
108.03364	0.9
108.05741	3.0
109.04146	1.3
109.06550	0.5
109.53705	4.5
109.54341	0.6
110.01293	0.9
110.03793	0.6
110.97586	1.8
112.54247	1.2
113.55033	1.4
115.01192	6.1
115.04530	0.7
115.52424	0.5
116.01281	0.5
116.03088	7.1
116.05238	0.4
116.53209	0.5
116.98633	0.8
118.03503	6.2
118.04185	8.3
118.53429	0.7
118.54247	4.8
119.01810	1.4
119.02670	0.4
119.03672	0.7
119.04973	14.1
120.05285	1.5
121.06515	100.0
122.06840	1.1
123.04090	0.4
127.00613	0.4
128.98604	1.1
133.02225	1.1
136.05203	5.1
137.05704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02380	1.5
53.03951	17.3
53.40195	0.5
55.01879	1.7
56.96571	1.8
59.35688	0.4
65.03927	1.1
69.82442	2.6
70.16901	0.5
77.03931	5.5
79.05505	1.0
81.03432	2.3
86.02098	0.5
91.05490	49.9
93.07050	53.3
94.01830	0.7
94.07356	0.6
95.04975	15.2
98.02090	2.9
98.02625	0.5
98.20834	0.6
102.04680	0.8
103.05476	65.7
104.05817	0.5
105.04527	7.5
107.02583	12.5
107.52761	0.8
116.03101	6.8
118.04131	0.5
118.53395	0.8
121.06512	100.0
122.06857	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.50162	0.8
51.02378	1.2
51.22824	0.9
51.80395	1.0
53.03944	11.1
55.01878	1.2
55.05508	5.2
67.05507	2.0
70.73983	2.6
75.87260	0.9
77.03929	3.3
79.05495	49.9
81.03440	1.5
81.07053	3.4
91.05482	37.1
93.07049	93.1
94.04184	1.4
94.07346	1.3
95.04971	11.4
103.05470	22.5
105.04538	5.9
105.07037	100.0
106.07857	6.9
119.08579	13.0
120.05727	1.3
121.02888	1.9
121.06514	18.9
121.10146	90.4
122.10481	1.6
123.08068	10.0
133.07620	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03956	10.1
55.01895	1.1
55.05498	3.3
65.03937	1.4
65.08731	0.9
69.92195	1.7
69.92583	2.5
70.63266	0.9
72.36186	1.0
77.03932	2.3
79.05499	40.4
81.03431	1.3
81.07034	1.7
91.05486	29.0
91.14434	1.0
93.07052	57.5
95.04970	9.1
103.05476	23.6
105.04512	3.8
105.07037	100.0
105.81914	1.1
106.07835	7.7
107.04962	2.7
119.08584	14.5
121.02876	1.4
121.06517	25.3
121.10152	81.0
123.08078	10.9
130.36699	1.0
133.07631	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24890	0.7
53.03937	2.6
55.01879	4.3
56.96560	1.9
57.03244	0.6
57.03437	6.8
58.99857	2.9
61.02936	5.2
66.31941	0.7
67.05516	1.9
68.02660	1.0
69.01906	1.2
69.03432	6.2
69.44272	4.6
70.99863	1.6
73.02923	6.0
75.01904	1.2
78.03462	2.7
78.52963	4.8
79.02166	3.5
79.05478	1.6
80.05018	12.7
80.52737	1.0
81.01906	2.5
81.03423	4.0
81.07073	0.8
82.01451	54.6
82.99834	1.9
83.01527	1.8
84.01195	0.7
84.52956	2.2
85.02918	4.8
85.51927	0.8
85.53736	2.3
86.52693	2.1
87.01903	2.5
88.02692	6.2
88.52763	1.0
89.00891	1.7
90.02417	1.1
90.52942	2.0
92.52699	2.2
93.01897	3.9
93.53448	1.1
95.04954	2.3
95.08614	2.0
96.04500	2.8
97.01421	1.1
97.02876	4.8
98.52690	2.2
99.53492	1.0
100.02492	100.0
101.00894	15.4
101.02574	3.5
102.00964	1.5
102.02405	4.2
103.02428	1.4
104.52722	1.2
106.02925	8.0
109.00521	1.9
109.02899	2.1
111.02946	4.4
113.00886	4.6
115.02438	3.8
118.01129	0.9
118.03533	25.3
119.01933	21.8
120.02004	1.4
120.03456	1.0
121.01653	1.0
123.05565	47.9
123.08092	2.5
124.02477	3.6
124.03937	7.1
125.00927	1.1
127.03927	0.9
131.01917	10.6
132.02022	1.8
133.03490	1.8
137.02942	1.7
142.03508	6.9
143.01909	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06273	0.7
56.96576	1.0
60.94977	0.7
65.72542	0.7
70.92441	1.7
82.01447	56.7
82.99839	1.2
83.01540	1.1
100.02486	100.0
101.00877	9.1
101.02555	2.3
118.03523	22.1
118.04330	1.5
119.01922	19.3
123.04053	1.1
137.02985	2.7
142.03462	1.5
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
53.03945	1.5
53.79650	0.8
55.01873	1.7
55.05512	1.2
56.96301	0.9
56.96567	11.3
57.03430	2.9
58.99851	1.3
59.52177	0.7
61.02910	1.0
67.05506	5.4
68.02650	0.8
69.03437	1.5
70.24518	2.2
71.02988	0.8
73.02908	1.3
78.03416	0.7
78.06322	0.9
78.52950	2.0
79.05496	4.2
80.05038	4.1
80.06277	1.3
81.03422	1.5
81.07049	3.1
82.01449	55.3
82.99844	1.5
83.01530	1.5
84.96057	0.7
88.02686	0.7
91.00551	0.9
91.05489	3.1
92.05793	0.7
93.07053	4.4
95.00804	1.4
95.04989	3.9
95.08611	5.0
96.04491	1.0
97.02909	1.0
97.53758	1.2
98.97585	1.6
99.99964	3.4
100.02488	100.0
101.00881	12.8
101.02548	3.7
102.02221	0.7
104.01288	0.8
105.07037	1.5
105.55304	2.2
106.02934	1.8
109.00513	7.1
111.02895	1.3
111.55271	1.2
112.01047	1.1
113.00855	1.2
114.55803	0.8
115.01276	0.8
117.10170	0.6
118.01039	1.5
118.03529	25.7
119.01932	21.9
121.06532	1.1
123.04146	1.7
123.04543	0.9
123.05550	18.7
123.08069	4.2
124.02517	1.0
124.04004	1.1
131.01912	2.1
137.02998	3.3
142.03519	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	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02382	0.9
53.03953	8.3
55.01876	6.5
55.05516	5.8
57.07070	4.7
65.03947	7.7
67.05507	63.0
69.07053	1.4
71.53062	1.5
77.03923	1.8
78.03432	1.0
79.05495	22.7
80.05022	11.2
81.03408	1.1
81.07060	100.0
82.01435	1.5
91.05472	2.8
93.07051	6.4
95.04973	52.4
95.08611	25.0
96.04490	3.5
96.05311	1.2
96.26794	0.8
100.02487	5.3
103.05452	1.2
105.03394	2.1
105.04528	3.2
105.07027	8.0
108.05726	1.6
118.03500	2.7
123.04433	70.5
123.05544	42.4
123.07197	1.6
123.08067	27.6
123.09052	1.3
123.11709	24.2
124.03959	6.7
124.07583	1.0
133.54460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03949	10.3
53.33978	1.1
55.01870	9.0
55.05511	13.8
56.96572	2.1
57.03435	2.2
59.04970	1.1
65.03934	4.0
67.01861	1.2
67.05505	82.4
69.18498	11.6
77.03919	2.8
79.05495	88.3
80.04993	2.2
80.06280	2.5
81.03419	8.2
81.07054	27.3
82.01477	1.4
82.04191	2.0
91.05470	9.5
93.06488	2.0
93.07048	29.7
95.04373	2.6
95.04973	41.9
95.08607	92.1
100.02476	5.5
103.05459	4.4
105.04522	3.1
105.07033	36.9
105.55272	1.8
108.05732	1.8
118.03490	1.3
123.04613	1.8
123.05578	8.4
123.08068	100.0
124.03953	1.9
130.53517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88323	0.5
53.03946	1.4
53.68906	0.4
53.79417	0.4
55.01886	0.5
55.05515	3.6
57.07084	3.6
57.25073	0.4
65.03938	0.6
65.19936	0.4
67.05509	14.1
69.07071	1.7
70.01591	2.2
71.22052	0.4
79.05498	14.6
79.11395	0.4
80.05022	2.8
81.03430	0.9
81.07062	100.0
82.01445	0.5
82.07421	0.7
91.05489	0.7
93.07055	2.0
94.07847	0.5
95.04990	4.8
95.08614	13.5
96.04516	0.8
100.02486	1.0
105.07043	1.7
108.05737	0.9
113.93964	0.4
121.10149	0.7
123.04459	2.5
123.05560	8.3
123.08073	6.9
123.11714	21.9
124.03958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.05508	4.4
57.07075	3.8
63.59083	0.4
65.03957	0.7
67.05509	12.8
69.07059	2.3
69.37788	3.4
69.38199	1.2
79.05496	14.5
80.05027	2.1
81.07058	100.0
82.07388	0.9
93.07036	1.9
95.04974	3.8
95.08611	13.5
95.09186	1.0
96.04475	1.0
100.02490	0.7
105.07034	1.5
123.04459	1.5
123.05547	8.6
123.08080	6.5
123.11706	23.6
124.03942	1.5
124.12004	0.6
134.40898	0.6
141.53915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03957	2.3
55.01861	0.7
55.05511	3.9
57.07069	3.8
62.72237	0.4
65.03938	1.0
66.76987	0.4
67.05504	13.8
69.07065	1.4
69.92104	2.3
72.47480	0.4
77.03916	0.5
79.05491	14.1
80.05016	2.3
81.07055	100.0
82.01423	0.8
82.07385	1.1
91.05485	0.5
93.07048	2.2
95.04964	4.4
95.08608	11.1
95.61095	0.4
96.04516	0.6
100.02488	1.2
105.03357	0.5
105.07029	1.7
108.05723	0.7
108.09412	0.4
112.89079	0.4
116.14622	0.4
117.36262	0.5
121.10201	0.5
123.04440	3.0
123.05552	7.7
123.08058	7.8
123.11707	22.8
124.03967	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08128	0.4
53.03944	1.8
53.42275	0.4
55.01883	0.6
55.05520	3.7
57.07080	3.6
63.36052	0.5
65.03936	1.0
67.05508	14.2
69.07064	1.9
79.05497	14.0
80.05009	2.6
81.03427	0.6
81.07059	100.0
82.07393	0.9
82.34396	0.5
90.79732	0.5
91.05463	0.5
93.07052	1.7
94.07824	0.5
95.04990	3.7
95.08025	0.4
95.08613	13.2
105.07033	1.4
108.05761	1.0
113.89258	0.4
121.10147	0.8
123.04455	3.0
123.05553	8.9
123.06388	0.8
123.08068	8.1
123.11713	24.5
124.03949	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.3
55.01857	3.2
55.05513	8.3
56.96565	1.2
57.03435	0.9
57.07058	2.9
62.03376	0.9
64.17224	0.9
65.02965	0.8
65.03929	1.4
67.05505	38.6
67.25838	0.8
69.07057	2.2
71.52187	1.3
77.03909	1.5
78.03459	1.9
79.01854	1.3
79.05492	37.0
80.04582	1.8
80.05020	26.2
80.22844	0.9
81.03409	4.2
81.07057	100.0
82.01425	3.9
82.04182	1.3
82.07365	1.1
86.25000	0.9
91.05462	3.2
93.07043	10.4
95.04376	1.9
95.04967	32.9
95.08609	37.1
95.20593	1.0
96.04496	11.0
96.08136	1.2
97.63947	0.9
100.02482	14.6
103.05478	2.5
105.04510	3.6
105.07035	10.6
108.05761	1.4
112.03969	1.4
118.03536	6.9
123.04447	16.3
123.05547	95.3
123.08064	46.8
123.09098	2.9
123.11701	23.0
124.03951	20.9
124.07574	1.6
126.90308	0.9
131.59662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03944	4.3
55.05509	5.9
57.07077	5.2
60.66021	0.5
65.03944	1.6
67.05507	29.8
69.07072	2.3
69.36556	4.7
77.03940	0.8
79.05495	22.8
80.05018	3.5
80.06295	0.9
81.03440	1.1
81.07058	100.0
82.01453	1.6
82.07391	0.8
83.73575	0.6
91.05506	1.3
93.07042	5.6
94.07870	0.8
95.04977	14.9
95.08610	41.3
96.04515	1.9
96.08959	0.6
100.02494	2.6
103.05479	1.6
105.04517	0.9
105.07035	8.6
107.04951	2.8
108.05739	23.4
118.03524	1.0
121.06499	2.9
121.10095	1.4
123.04436	7.5
123.05553	12.4
123.08069	64.1
123.11709	34.1
124.03939	2.9
124.08397	0.8
140.16425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0964
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03951	2.1
55.01868	3.0
55.05523	12.4
60.42965	1.4
61.20008	1.5
61.47860	1.7
61.73012	1.5
65.03944	4.7
67.05505	3.1
69.03439	8.8
69.07065	6.0
70.81987	1.6
71.01349	7.7
79.05501	28.2
80.05023	2.0
81.07070	20.4
82.06590	4.5
83.04988	51.7
83.08613	3.7
84.04522	2.3
91.05489	10.6
92.73524	1.4
95.04918	2.2
97.02903	100.0
97.06541	11.1
97.07717	1.6
98.21519	6.1
101.44709	1.5
102.02276	2.1
105.07056	6.0
107.08607	54.9
108.04502	2.7
109.06527	2.3
110.07285	1.8
111.04423	2.2
125.02373	24.0
125.04335	11.8
125.06012	10.4
125.07051	2.5
125.09648	53.6
125.10624	3.7
126.05505	4.9
126.09129	2.5
126.10867	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.9
55.01870	6.6
55.05519	15.8
58.28355	3.3
65.03951	3.0
69.03428	15.2
69.07079	8.2
69.33737	4.5
69.34143	17.3
70.06596	3.6
71.01361	8.2
74.38335	2.7
78.86657	3.0
79.05499	32.9
80.05020	4.4
81.03430	3.4
81.07062	22.7
81.84380	2.6
82.06584	7.6
83.04988	86.9
83.08637	3.4
87.38064	2.7
91.05501	17.3
97.02898	100.0
97.04794	3.6
97.06552	12.0
97.07699	4.7
102.02253	4.6
105.07054	9.8
107.08605	83.0
108.04499	9.4
109.06530	5.8
119.06095	4.9
125.02392	23.8
125.04336	15.3
125.06028	14.4
125.07137	6.3
125.08096	3.2
125.09654	72.3
125.10753	10.1
126.05529	7.8
126.09168	7.4
139.77643	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	125.0964
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
50.25991	3.3
53.03964	3.2
55.05507	15.1
61.82382	3.3
67.05492	3.1
68.72497	3.6
69.03426	16.9
69.07067	7.6
71.01352	8.1
78.36152	3.5
79.05499	37.4
80.05016	3.5
81.07075	24.7
82.06586	9.8
83.04984	73.9
91.05485	17.6
95.08556	3.9
97.02903	100.0
97.04846	3.7
97.06525	10.4
98.06070	3.7
102.02269	4.8
105.07001	8.3
107.08602	73.6
108.04467	9.9
109.06555	3.3
110.04411	3.2
125.02361	32.4
125.04321	25.5
125.05974	16.1
125.07027	7.9
125.09680	64.0
125.10727	9.6
125.11597	5.5
126.05511	4.0
126.09161	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	125.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	16.0
57.07086	6.0
62.02218	0.6
62.21495	0.7
63.74403	0.7
67.05516	2.1
69.07073	100.0
70.07403	0.6
70.77087	1.9
82.06602	1.3
83.08627	19.2
84.08140	0.7
87.19936	0.6
87.76349	0.6
108.04453	1.2
125.04322	1.6
125.07139	1.7
125.10748	3.7
125.11567	0.7
126.05538	1.5
136.12660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
51.02377	0.1
53.03951	0.6
59.98975	0.1
61.81647	0.1
68.54919	0.2
69.03429	1.2
70.06592	0.2
70.28728	0.5
77.03931	0.5
78.72231	0.1
82.06581	0.4
84.04511	1.8
84.08146	28.5
85.08470	0.3
95.04975	0.6
97.52193	0.2
98.44004	0.1
102.04694	0.3
103.05469	8.0
105.04501	0.3
112.07608	4.3
128.04997	1.3
130.06531	100.0
130.08577	8.1
130.15930	0.2
131.06862	1.6
146.06009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03951	2.5
55.12519	0.3
60.99073	0.3
70.41396	0.6
70.41762	0.8
74.18664	0.3
75.37374	0.3
77.03933	0.9
84.08147	2.6
85.02916	0.4
85.07947	0.5
85.08467	9.0
86.09714	0.4
91.05490	2.6
93.45496	0.3
95.04966	2.1
102.04657	0.8
103.05469	100.0
104.05817	1.4
105.04522	1.4
113.07961	0.7
116.06213	0.6
118.48267	0.3
122.23189	0.3
129.06934	0.5
131.04929	20.4
131.08640	3.3
143.23602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03952	3.2
53.20346	0.3
54.15771	0.2
56.96573	0.3
58.87355	0.2
59.62984	0.3
65.93028	0.2
66.00008	0.2
66.82877	0.2
68.95249	0.3
70.74651	0.8
73.25986	0.2
77.03928	1.0
81.03419	0.4
84.08142	1.1
85.04858	0.3
85.07933	0.5
85.08472	5.2
86.09697	0.4
91.05495	1.4
95.04970	2.7
95.08612	0.5
102.04692	0.9
103.05473	100.0
104.05804	1.2
105.04503	1.4
108.93817	0.3
110.07837	0.6
113.07958	1.8
113.08640	0.3
116.06203	0.5
129.06966	0.6
131.04936	14.2
131.08658	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.4
53.03949	2.9
58.06614	0.3
59.36590	0.3
61.49077	0.3
67.50117	0.3
70.54274	1.0
76.36588	0.3
77.03940	1.0
81.03410	0.5
82.24520	0.3
84.08146	0.4
85.08480	1.8
91.05489	2.6
95.04980	2.6
96.23472	0.3
102.04689	1.0
103.05476	100.0
104.05763	1.7
104.13864	0.3
105.04517	1.3
110.16103	0.4
113.07954	0.6
116.06249	0.9
124.11759	0.3
126.63801	0.3
129.07022	0.4
131.04942	14.7
131.08530	3.5
132.05296	0.4
134.41515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
52.90464	0.4
53.03947	3.4
54.07748	0.4
70.03800	0.3
71.51952	0.4
77.03919	1.0
84.08139	2.0
85.04819	0.4
85.07926	0.7
85.08476	7.7
91.05478	3.5
95.04960	3.0
102.04682	1.1
103.05470	100.0
104.05798	1.7
105.04515	1.8
113.07953	1.4
115.05479	0.6
116.06240	1.5
129.06956	0.4
131.04933	23.1
131.08504	5.0
149.72113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03951	2.5
55.12519	0.3
60.99073	0.3
70.41396	0.6
70.41762	0.8
74.18664	0.3
75.37374	0.3
77.03933	0.9
84.08147	2.6
85.02916	0.4
85.07947	0.5
85.08467	9.0
86.09714	0.4
91.05490	2.6
93.45496	0.3
95.04966	2.1
102.04657	0.8
103.05469	100.0
104.05817	1.4
105.04522	1.4
113.07961	0.7
116.06213	0.6
118.48267	0.3
122.23189	0.3
129.06934	0.5
131.04929	20.4
131.08640	3.3
143.23602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	L-Isoleucine
Peak:m/z	Relative Intensity
52.86964	0.6
53.03948	2.2
53.50909	0.6
55.01867	1.4
55.05274	0.9
55.05518	13.1
56.96570	55.3
57.03436	1.8
57.18417	0.6
58.50558	0.6
58.96168	1.3
60.04531	6.1
60.95566	0.8
60.95860	11.2
61.02929	1.4
65.03959	1.0
65.45733	0.5
67.05511	5.0
67.51075	2.1
68.05849	0.7
69.03437	1.6
69.07070	6.5
70.98106	1.0
71.45160	1.0
71.95278	1.1
72.04524	8.8
72.08162	15.1
73.02908	1.7
73.06557	14.4
73.06975	0.7
74.97601	1.3
75.01051	1.8
76.45323	0.6
76.51611	1.6
77.00752	0.8
79.01308	1.1
79.05499	9.7
80.05820	0.9
80.06282	1.1
81.03432	1.5
81.04535	0.7
81.07060	5.3
82.01444	1.1
82.07391	2.2
83.04987	1.5
84.04523	1.0
84.96025	1.0
85.02958	1.4
86.09712	100.0
87.10033	0.9
88.01818	3.6
90.05611	0.7
90.09203	10.8
91.00412	0.7
91.05489	9.1
92.05804	3.3
92.98681	1.2
93.00938	1.0
93.07064	3.1
94.01778	0.6
94.03635	2.0
94.07368	1.4
95.02525	0.6
95.04987	3.1
95.08609	5.6
97.02351	2.8
97.02885	0.9
97.99188	6.5
98.01307	1.4
98.97601	2.2
99.01006	0.8
100.01863	0.6
100.02494	2.1
100.03616	5.3
100.98066	0.8
101.02590	0.6
102.01495	1.5
102.03380	2.7
102.51634	1.9
102.53563	2.5
102.96892	1.8
103.02293	0.9
103.05496	1.4
103.52398	0.9
105.07053	2.1
105.54446	1.9
105.55293	2.2
107.02573	1.5
107.08639	3.0
108.01543	2.2
108.03378	1.7
108.51642	1.4
108.53561	1.3
109.00506	1.9
109.01559	0.6
109.02361	0.6
109.04144	7.0
109.06548	1.5
110.01310	1.1
111.02081	0.8
111.03892	1.4
111.54066	1.8
112.00967	0.8
112.02202	0.9
113.02966	1.1
114.04311	1.9
114.09180	13.8
114.98447	0.7
116.00253	1.7
116.03089	2.8
117.02007	5.2
117.03872	1.3
117.05806	1.0
117.52143	4.1
117.54064	1.2
118.01052	3.0
118.02843	0.8
118.04722	1.0
118.98258	0.8
119.01833	1.8
119.04960	1.8
120.05289	2.2
120.54939	1.1
121.01512	0.7
121.02336	1.9
121.06514	1.6
123.01219	0.6
123.04881	1.6
123.07956	2.2
125.02374	0.6
126.52681	1.1
127.01615	0.7
128.98610	1.2
130.02829	1.1
132.08121	3.3
132.09242	0.6
132.10207	3.6
132.97954	0.8
137.06015	0.7
140.98676	0.8
144.04709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03954	1.0
55.05510	1.2
58.44082	0.6
66.56921	0.6
67.05515	0.8
70.06600	1.3
77.03925	1.1
79.05501	5.3
81.04544	0.8
88.02251	0.7
91.05487	18.4
93.07053	1.8
95.05019	1.0
103.05468	3.9
105.07037	100.0
106.07365	1.6
112.02190	1.3
115.05481	2.0
116.06261	0.8
116.07065	1.2
117.07043	1.7
118.07796	2.0
123.07944	1.9
131.08591	4.8
133.02846	1.7
133.06502	7.5
133.07535	1.1
133.10141	43.7
134.05963	0.7
134.10474	0.9
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
51.19160	0.4
53.03954	0.4
55.05503	1.7
55.05746	0.4
55.88043	0.4
67.05489	0.7
69.49160	1.6
69.49604	1.4
72.75357	0.4
75.29337	0.4
79.05494	5.3
91.05485	17.7
93.07057	4.8
95.04981	0.8
98.21533	0.4
103.05467	2.2
105.07034	52.3
106.07366	1.4
107.08565	1.3
107.86334	0.5
115.05466	5.0
116.06246	0.7
117.07034	4.9
118.07808	5.9
127.19978	0.6
129.07025	0.4
129.44731	0.4
131.08568	6.8
133.02861	0.5
133.06487	1.4
133.10130	100.0
134.10493	2.0
154.75420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
53.75891	0.5
55.05495	2.1
59.46139	0.5
61.78392	0.4
63.76092	0.5
67.05499	0.7
70.78178	1.1
75.82259	0.4
79.05497	3.7
83.76490	0.4
91.05482	14.6
93.07028	3.9
103.05470	2.1
105.07035	37.6
105.36995	0.5
106.07420	0.5
107.08571	0.6
115.05463	4.0
116.06284	0.8
117.07023	4.5
117.78148	0.5
118.07796	6.9
123.08030	0.7
131.08585	5.1
133.02771	0.8
133.10135	100.0
134.10472	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03944	0.6
54.12825	0.4
55.05527	1.5
65.03919	0.3
70.79965	0.4
70.80273	0.4
71.81873	0.3
77.03924	0.4
79.05497	3.5
88.35213	0.3
91.05485	13.2
93.07052	4.1
95.04952	0.5
103.05466	2.5
105.07038	37.8
106.07356	0.5
107.08605	0.9
113.26945	0.3
115.05459	4.7
116.00543	0.3
116.06251	1.0
117.07014	5.1
118.07816	5.2
122.44535	0.3
131.08580	5.6
133.10139	100.0
134.10451	1.6
140.85678	0.3
145.19278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05510	1.8
56.54864	0.8
57.93568	0.8
59.23112	0.9
69.79176	5.0
69.79489	1.5
79.05490	4.6
91.05485	14.1
93.07046	3.3
103.05486	4.7
105.03352	1.1
105.07039	56.9
106.07354	1.2
107.08607	1.2
115.05466	4.5
117.07033	5.4
118.07813	6.8
118.51686	0.8
121.12002	0.9
131.08571	5.6
133.06508	14.9
133.10136	100.0
134.10484	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03947	1.1
55.01861	0.4
55.05510	1.7
67.05521	0.6
69.26956	0.5
69.27367	3.0
70.06534	0.4
77.03878	0.5
79.05487	5.9
91.05483	16.8
93.07048	4.7
95.04973	1.0
95.12357	0.4
96.42205	0.4
103.05449	2.8
105.07034	50.9
106.07359	0.4
107.08619	1.1
112.70436	0.4
115.05441	4.8
116.06240	1.1
117.07041	4.7
118.07805	6.3
123.07962	0.5
129.07008	0.6
131.08575	6.1
133.02847	0.6
133.06543	4.5
133.10132	100.0
134.10463	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05494	1.6
69.52842	4.0
75.76945	0.5
76.68681	0.6
77.03925	0.7
79.05487	4.3
80.48071	0.5
86.75013	0.6
90.28349	0.6
91.05486	16.1
93.07044	3.6
95.04980	1.3
98.20737	0.7
103.05446	2.1
105.07031	41.1
107.08566	1.0
107.30124	0.8
107.30939	0.6
115.05472	5.3
116.06251	0.9
116.82330	0.5
117.07031	4.9
118.07803	5.7
131.08569	4.8
133.06503	2.0
133.10130	100.0
134.10448	2.1
146.15649	0.5
152.18643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59943	0.4
53.03935	1.0
54.39130	0.4
55.05518	2.5
67.05515	0.8
69.18829	0.4
70.78310	1.0
77.03888	0.4
79.05487	4.4
86.67712	0.4
91.05483	16.4
92.06266	0.5
93.07049	3.8
95.04949	0.8
103.05482	2.1
105.07034	49.2
106.07353	1.0
107.08617	0.9
115.05455	4.7
116.06276	0.9
117.07025	5.2
118.07793	6.0
129.06960	0.6
131.08559	5.9
133.10132	100.0
134.10457	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.8
54.36314	0.8
55.05516	7.1
56.20532	1.0
65.03927	1.5
67.05502	3.0
69.07059	3.5
69.54443	3.8
69.54861	2.7
77.03937	1.3
79.05074	1.6
79.05495	20.1
81.07067	3.6
89.03924	5.0
89.41014	1.0
91.05488	25.3
93.07049	58.5
95.04967	3.1
105.04491	2.0
105.07043	9.3
107.04968	2.9
107.08601	100.0
108.08925	2.1
109.06496	3.3
117.03396	2.3
117.06998	1.8
119.06094	2.5
119.08616	6.2
120.09389	1.5
121.59895	0.9
130.02184	0.9
135.04440	8.1
135.08044	2.0
135.11694	30.6
135.12732	1.6
140.51468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03939	3.8
55.05519	9.4
57.07081	1.1
58.40723	1.0
65.03929	1.7
66.86620	1.1
67.05494	2.0
69.07061	3.2
69.67575	4.4
77.03883	1.0
79.05077	2.0
79.05498	19.2
81.07053	3.7
81.36349	0.9
89.03928	6.7
91.05489	31.1
91.38589	0.9
92.46196	1.2
93.07047	56.2
95.04957	3.6
98.20763	1.9
105.04519	1.9
105.07045	15.2
107.04959	5.3
107.08599	100.0
108.08905	1.1
109.06509	4.5
117.03375	4.1
117.06989	1.8
119.06064	4.1
119.08591	8.7
120.09354	2.4
120.52016	0.9
133.10103	1.5
135.04453	7.6
135.08099	1.3
135.11691	34.9
135.12727	1.8
135.35283	1.0
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	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.05511	8.1
55.46277	1.0
65.03943	2.7
67.05514	3.1
69.07066	3.5
69.78973	4.6
79.05501	24.8
81.07059	2.9
82.56618	1.0
89.03915	9.3
91.05486	47.0
92.05795	1.1
93.07049	50.9
93.75131	1.0
95.04983	3.6
105.04507	2.0
105.07026	15.4
106.04139	1.4
106.07391	1.4
107.04974	5.9
107.08601	100.0
109.06539	3.7
115.05461	11.5
117.03409	3.1
117.07019	8.1
119.06096	5.0
119.08585	16.5
120.09383	4.3
133.06502	1.2
134.83908	0.9
135.04428	11.8
135.07016	1.5
135.08058	28.1
135.10805	3.1
135.11694	31.9
136.02200	1.4
136.06207	1.4
144.08815	1.0
147.09259	1.4
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
53.03941	5.1
55.05511	8.1
55.46277	1.0
65.03943	2.7
67.05514	3.1
69.07066	3.5
69.78973	4.6
79.05501	24.8
81.07059	2.9
82.56618	1.0
89.03915	9.3
91.05486	47.0
92.05795	1.1
93.07049	50.9
93.75131	1.0
95.04983	3.6
105.04507	2.0
105.07026	15.4
106.04139	1.4
106.07391	1.4
107.04974	5.9
107.08601	100.0
109.06539	3.7
115.05461	11.5
117.03409	3.1
117.07019	8.1
119.06096	5.0
119.08585	16.5
120.09383	4.3
133.06502	1.2
134.83908	0.9
135.04428	11.8
135.07016	1.5
135.08058	28.1
135.10805	3.1
135.11694	31.9
136.02200	1.4
136.06207	1.4
144.08815	1.0
147.09259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03939	3.3
55.05517	6.8
60.66957	0.7
61.93054	0.6
62.92249	0.8
65.03924	0.8
67.05497	2.7
69.07054	2.5
69.67259	1.8
69.67657	2.5
77.03910	0.7
78.92008	0.7
79.05074	1.2
79.05499	16.7
81.07044	3.5
89.03938	1.1
91.05492	20.0
93.07054	60.6
95.04971	3.0
98.20856	1.7
105.04511	1.6
105.07040	8.8
107.04962	1.2
107.08603	100.0
108.08952	1.6
109.06538	2.4
110.53271	0.7
112.49430	0.8
117.07045	0.9
119.06074	2.4
119.08588	2.6
120.09342	1.5
124.68015	0.8
135.04419	2.2
135.07999	1.4
135.11699	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	137.0593
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.47267	0.4
53.03933	0.8
59.64081	0.5
66.04738	2.7
67.61911	0.5
70.72619	1.4
70.72961	0.8
72.60804	0.6
76.16414	0.6
76.78439	0.6
79.05501	3.1
81.07043	2.9
81.89357	0.5
91.05511	3.1
91.05997	0.8
94.04195	20.9
94.04795	1.3
95.05004	0.6
99.61207	0.5
107.04974	1.2
109.06520	2.0
122.03659	42.5
123.03954	0.5
137.05989	100.0
138.06346	1.8
150.26581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.35418	0.5
51.23820	0.4
53.03946	1.1
65.03941	1.9
66.04718	3.2
67.05478	0.5
69.90810	2.1
77.03941	0.9
79.05493	5.1
81.07054	7.5
91.05482	7.0
94.04191	23.3
105.03389	0.6
107.04939	1.5
109.06528	4.5
119.04912	0.7
122.03654	40.3
123.03937	0.6
137.05981	100.0
138.06323	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	Benzylformate
Peak:m/z	Relative Intensity
51.96652	0.7
53.03947	2.1
55.01875	4.3
56.96567	1.9
57.03444	1.4
65.03945	8.1
67.05505	1.6
68.99805	4.1
69.03443	2.8
71.30677	1.4
79.05496	30.8
81.03420	1.1
81.07060	100.0
82.07381	1.1
91.05489	58.6
94.04189	12.3
95.04954	1.6
95.74588	0.7
98.97602	1.3
101.11828	0.7
102.03383	0.8
107.04960	9.3
109.02892	1.0
109.06522	82.1
110.06857	1.6
111.21838	0.8
119.04947	14.4
119.05864	1.2
119.06089	1.0
121.04004	1.0
137.05978	72.2
138.06320	0.9
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
52.20318	0.6
55.01875	0.8
56.93850	0.7
65.03946	0.9
66.04736	3.6
69.66747	2.5
69.67157	1.6
79.05508	5.2
81.07079	5.9
91.05493	5.5
94.04195	26.1
94.04787	1.6
107.04966	1.7
109.06513	4.3
117.19927	0.6
119.04969	1.3
122.03657	45.9
137.05988	100.0
138.06346	1.2
141.06938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	Benzylformate
Peak:m/z	Relative Intensity
51.02409	0.4
53.03951	3.3
55.01880	3.4
57.03435	1.3
57.97342	0.4
65.03944	11.8
66.04720	0.6
67.05511	1.7
68.99789	3.9
69.03430	2.8
71.31130	0.8
77.03909	0.5
79.05495	32.5
79.25775	0.4
81.03415	1.1
81.07057	100.0
82.07394	1.0
91.05484	62.6
92.05796	0.9
94.04187	10.8
95.04966	1.6
105.04419	0.4
107.04960	8.7
109.02887	1.0
109.06519	85.3
110.06850	0.8
111.04429	1.5
114.41606	0.4
119.04946	15.0
119.06023	1.9
121.03950	1.1
122.22051	0.4
136.76270	0.4
137.05975	69.2
138.06322	0.7
146.81734	0.4
152.74312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0593
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.47267	0.4
53.03933	0.8
59.64081	0.5
66.04738	2.7
67.61911	0.5
70.72619	1.4
70.72961	0.8
72.60804	0.6
76.16414	0.6
76.78439	0.6
79.05501	3.1
81.07043	2.9
81.89357	0.5
91.05511	3.1
91.05997	0.8
94.04195	20.9
94.04795	1.3
95.05004	0.6
99.61207	0.5
107.04974	1.2
109.06520	2.0
122.03659	42.5
123.03954	0.5
137.05989	100.0
138.06346	1.8
150.26581	0.6
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	Unknow
Peak:m/z	Relative Intensity
50.07553	0.6
53.03939	2.9
55.01863	2.3
55.05491	1.4
57.50569	0.6
59.57371	0.6
65.03925	3.9
67.05510	21.8
68.99784	1.1
69.03432	6.2
69.07064	1.7
69.86117	2.9
70.99540	0.6
78.79999	0.6
79.05498	13.7
81.07060	44.6
91.05486	32.3
93.07040	3.4
94.04195	5.8
95.04973	4.5
95.08612	6.3
98.21480	1.4
103.05454	1.1
104.06278	0.8
105.04523	0.9
107.04963	15.8
107.05646	1.3
107.08596	1.8
109.02851	0.8
109.06524	31.0
109.10163	24.7
110.10461	0.6
117.07017	1.7
119.04958	6.9
119.05865	0.9
119.08582	13.5
120.08988	0.7
121.06525	6.1
122.03693	3.7
122.07295	68.1
126.99166	0.6
135.08076	2.3
137.05992	38.1
137.09622	100.0
138.09990	1.2
149.61707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
52.68562	0.6
53.03939	1.9
55.01859	2.3
55.05495	1.0
62.22311	0.6
65.03938	2.9
67.05508	18.8
68.99774	1.0
69.03436	4.5
69.07040	0.7
70.63756	1.9
71.43079	0.6
79.05066	1.1
79.05497	12.9
81.03382	0.6
81.07058	33.9
82.43899	0.6
91.05484	21.7
93.07029	3.4
94.04185	4.6
95.04973	4.2
95.08604	6.3
107.04953	11.9
107.08600	1.7
109.02844	0.7
109.06519	22.1
109.10157	27.8
117.07009	0.7
119.04945	4.8
119.08576	11.3
121.06507	5.5
122.03635	4.1
122.07293	61.9
135.08096	3.5
137.05995	26.7
137.09619	100.0
138.06375	0.8
138.09935	1.8
141.44135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45898	0.6
51.73061	0.7
53.03940	3.1
54.04251	0.6
54.78466	0.7
55.01866	4.2
55.05501	2.4
57.07063	1.9
60.99888	0.6
61.97766	0.6
65.03944	7.6
66.04704	1.1
67.05507	23.5
68.99780	1.9
69.03431	8.2
69.07053	1.6
69.37309	1.5
69.37724	3.2
77.03947	1.1
79.05493	24.6
81.03423	1.6
81.07058	76.5
82.07390	1.0
91.05483	46.9
93.07072	3.5
94.04185	11.6
94.07822	1.1
95.04963	4.3
95.08614	18.8
103.05473	1.1
107.04961	16.8
107.08617	2.0
109.02866	1.1
109.06521	52.7
109.10159	29.0
117.07059	1.0
119.04948	8.8
119.05809	0.9
119.08585	13.7
121.06494	7.1
121.23978	0.6
122.03657	9.2
122.07288	63.7
123.07631	1.6
135.08072	3.1
137.05984	62.1
137.09618	100.0
137.13254	2.1
138.09952	1.8
138.60509	0.8
149.65858	0.6
152.73476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1482
Annotation	3-Ethyl-1,5-octadiene
Peak:m/z	Relative Intensity
55.05513	86.7
57.07077	21.8
69.07066	50.5
70.51573	7.5
74.00749	3.2
81.07079	4.5
83.08619	100.0
83.46899	3.3
93.04529	7.8
95.06097	4.7
97.10179	18.0
98.07172	5.8
121.04013	21.2
139.05011	15.0
139.07556	8.0
139.08623	5.1
139.12292	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	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98637	0.7
56.96571	13.8
58.18811	0.4
67.35639	0.3
70.72812	0.8
70.73194	0.8
71.67640	0.4
71.95272	4.8
98.97589	100.0
99.04835	0.4
116.98627	35.2
134.99669	7.6
140.00230	0.8
145.94389	0.4
147.15872	0.4
147.58781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	20.4
69.48362	3.3
69.48702	0.7
71.95279	4.4
73.02917	0.7
74.97762	0.4
85.02913	0.6
86.07697	0.4
90.01564	0.7
98.01324	0.6
98.97595	100.0
99.97967	0.5
101.00742	0.4
104.01271	0.5
110.01281	0.8
110.97614	0.7
116.98635	37.3
119.01791	1.1
121.49350	0.5
128.02356	0.8
128.98604	0.5
134.99663	7.5
140.00238	1.2
149.01294	0.4
153.00685	0.6
158.01309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0548
Annotation	2,4,6-Trihydroxytoluene
Peak:m/z	Relative Intensity
52.74382	0.9
53.03943	3.1
55.01865	3.0
55.05502	2.7
57.03420	1.1
59.11470	1.0
64.54250	1.0
65.73190	0.8
67.05511	14.4
68.28484	0.9
68.99792	15.0
69.66188	5.3
69.66600	1.6
71.04983	2.3
79.05499	27.1
81.03405	3.4
81.07063	8.1
83.04984	2.5
85.02909	1.9
85.06541	1.5
93.07049	8.3
95.04989	9.3
95.08611	22.3
97.02893	3.5
97.06522	3.9
98.03683	9.1
98.21499	1.8
102.28843	1.0
105.07040	9.8
109.02885	4.3
111.00813	100.0
112.08607	1.0
113.02369	2.9
113.06004	1.8
122.94231	1.1
123.08076	20.8
126.03144	78.6
141.01823	5.6
141.05476	92.8
141.09137	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	141.0547
Annotation	3-METHOXYCATECHOL
Peak:m/z	Relative Intensity
50.69294	0.2
53.03952	2.5
55.01880	0.7
55.05513	0.8
65.03941	0.8
67.05183	0.4
67.05510	4.1
70.69326	0.7
71.05006	0.7
77.03917	0.4
79.05498	7.6
79.84761	0.3
81.03422	41.8
81.07056	2.7
82.03757	0.4
83.04980	0.5
85.06498	0.3
91.05494	0.6
93.07052	2.3
93.56485	0.2
95.04976	10.1
95.08611	6.6
97.06548	1.1
98.03684	0.3
99.04480	0.4
100.21628	0.3
105.04546	0.7
105.07045	2.0
108.02109	0.6
109.02885	100.0
110.03232	1.2
111.00809	0.3
113.02402	1.4
123.04426	1.9
123.08080	4.2
126.03176	1.8
136.40536	0.3
137.70042	0.3
141.01839	1.4
141.05479	8.5
141.07022	0.4
141.09100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0911
Annotation	7-Hydroxy-6-methylhepta-3,5-dienal
Peak:m/z	Relative Intensity
53.03948	7.2
54.14632	1.6
55.01883	3.8
55.05519	6.7
56.96564	7.8
67.05511	39.0
67.38155	1.5
70.56316	4.5
77.03908	2.7
78.76945	1.7
79.05499	100.0
81.03433	3.6
81.07064	21.6
82.07382	3.4
83.04987	6.4
85.39137	1.6
91.05478	7.9
93.07054	28.6
95.04982	21.4
95.08615	69.3
97.06541	4.4
97.99198	4.9
98.97620	3.5
99.97936	2.1
102.03363	1.8
103.05488	2.4
105.04507	3.2
105.07043	42.8
108.03398	2.0
108.53529	2.3
111.03886	2.5
111.08103	3.3
113.54205	2.2
114.04317	3.8
115.19695	1.9
122.54648	2.3
123.04840	3.4
123.08075	59.2
141.09164	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95718	2.7
56.96559	3.0
71.01522	6.2
74.75034	2.7
78.41694	2.9
78.53940	2.6
82.99851	6.2
84.05637	2.6
84.80849	2.8
97.02938	3.2
98.97607	4.1
100.97216	5.7
100.98026	4.7
101.00887	65.1
101.95014	5.3
105.45205	2.9
119.01921	100.0
122.42698	2.8
124.02415	6.3
125.02348	4.7
137.02969	12.7
142.03500	46.2
142.08656	3.6
142.26543	2.5
143.03413	14.9
159.34099	2.9
160.04567	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	143.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46985	0.2
68.37903	0.1
69.03437	0.8
70.06587	0.4
71.01357	0.2
71.51822	0.2
79.05515	0.3
85.02929	0.2
89.03910	0.3
97.02905	6.1
97.06554	0.1
98.06059	0.7
98.09656	0.2
115.05465	100.0
116.05784	1.4
116.06351	0.5
125.02364	9.5
128.06239	1.1
143.03416	12.5
143.04933	4.7
143.08571	0.8
144.03876	0.2
144.05687	2.9
144.13890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99129	0.2
69.03422	0.6
69.07058	0.9
71.52441	0.3
79.05474	0.3
83.04988	1.8
89.03910	0.3
91.36211	0.2
97.02893	3.1
97.06524	1.0
98.06013	0.3
115.05460	100.0
116.05703	1.3
125.02359	4.4
125.06001	0.7
128.06226	1.0
135.70403	0.2
143.03409	7.3
143.04926	5.0
143.08536	0.4
144.03951	0.2
144.05716	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98530	0.9
55.01865	1.1
55.05502	1.0
56.96560	3.8
60.95845	2.0
62.12202	0.9
65.03922	1.6
67.05505	1.6
69.03423	2.1
73.02903	0.8
79.05495	100.0
80.05840	1.1
81.07059	20.9
82.99821	0.8
83.05000	1.1
84.08193	0.8
84.43468	0.8
85.02903	1.6
91.05482	12.5
95.06064	1.0
95.08593	3.3
97.02895	12.8
97.03470	1.7
98.06042	1.4
98.09658	1.0
98.97570	2.4
101.00900	1.3
101.95028	5.0
101.97176	1.9
102.96866	5.9
105.07027	7.8
106.35123	0.9
107.08595	84.7
108.09000	1.8
109.06522	2.6
117.03890	1.6
119.01921	4.1
119.06048	2.1
119.96058	1.3
120.97930	1.9
125.02348	17.2
125.09646	6.8
140.91759	1.0
143.03401	28.3
143.10664	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.01867	1.5
55.05501	1.6
56.96555	4.4
60.95842	1.4
64.78881	1.1
65.03918	1.3
67.05500	2.3
69.03437	8.0
69.65710	1.8
69.66114	4.9
70.06581	1.6
71.01338	1.6
71.95284	1.5
74.70645	1.3
79.05500	77.5
81.07068	13.5
83.04980	2.4
84.08095	1.3
85.02911	2.5
91.05493	9.7
95.08611	3.7
97.02898	31.4
97.06530	1.4
98.06053	3.2
101.00925	2.0
101.95028	6.7
102.96874	2.5
105.07024	4.1
107.08604	64.0
119.01907	3.5
119.06052	1.5
125.02361	54.2
125.03288	2.7
125.09650	5.9
143.03404	100.0
144.06584	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	143.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.05511	2.4
56.96557	4.1
67.05505	3.1
69.03439	10.2
69.07055	1.3
69.92591	3.1
69.92985	3.2
70.06586	3.2
76.55220	1.3
79.05504	92.3
81.04560	1.5
81.07067	15.6
82.67452	1.5
83.04979	3.4
85.02892	4.1
91.05498	8.8
95.08630	2.6
96.63591	1.3
97.02905	29.1
97.06561	1.6
98.06064	4.0
101.00897	1.6
101.26377	1.5
101.95052	7.1
102.96896	1.8
105.07043	6.0
107.08609	78.3
109.06497	2.0
111.04436	2.9
119.01958	3.1
119.06052	3.0
119.96124	1.6
122.44624	1.4
125.01483	2.9
125.02372	50.9
125.09634	7.0
140.42435	1.6
143.03409	100.0
143.10655	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01864	2.3
55.05514	0.8
57.03434	1.3
62.92981	1.1
66.07041	0.7
67.05486	1.1
69.03419	2.1
71.01353	1.1
71.04996	8.7
71.52092	1.1
78.58966	0.7
79.05493	1.3
81.03437	4.0
81.62302	0.6
82.04639	0.6
82.06595	4.7
85.02914	5.9
89.03929	2.2
91.05488	11.8
97.02899	1.4
99.04462	30.4
100.07616	14.2
103.05477	2.2
105.07035	43.2
106.87811	0.7
115.05462	6.9
116.06268	1.6
117.03409	1.8
117.07024	25.3
118.06499	0.8
121.96640	2.6
123.03539	0.7
127.03929	6.5
128.06235	3.1
129.07031	5.6
130.07796	26.3
143.08577	6.5
145.05002	3.0
145.06488	4.9
145.10129	100.0
146.08109	4.9
146.10500	1.8
155.06064	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.19372	0.6
55.05519	1.3
55.59545	0.6
57.84431	0.7
59.94121	0.6
65.03947	6.3
70.78676	1.5
70.79005	1.0
79.05506	1.1
84.04504	0.7
91.05489	79.0
92.05832	0.8
103.05478	0.7
105.07025	7.6
107.08594	0.9
112.38631	0.7
117.06957	1.6
117.17425	0.7
119.04950	100.0
119.08593	13.5
120.05266	2.0
130.71123	0.7
145.10149	1.6
147.04422	59.8
147.11688	7.6
148.04771	1.1
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
55.05505	1.3
65.03944	8.0
70.96678	1.8
70.97007	1.2
91.05489	85.9
92.05798	1.3
105.07021	6.7
119.04953	100.0
119.08597	9.5
120.05291	1.4
147.04422	57.2
147.10580	1.2
147.11694	6.7
148.04863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.76407	0.8
51.82679	0.7
55.05506	1.4
62.13350	0.7
64.92817	1.4
65.03947	7.3
71.13215	0.8
71.13538	1.2
79.05499	2.4
81.07060	1.1
82.06581	1.5
83.06919	4.1
91.05486	89.3
92.05784	0.9
100.07603	2.2
101.07349	1.6
101.07954	9.5
105.07036	15.3
112.55375	0.8
117.07030	1.1
119.04951	100.0
119.08585	18.2
120.05260	2.0
123.96452	4.5
129.97003	0.7
147.04420	61.8
147.08363	4.6
147.11697	14.1
164.07111	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11544	0.6
55.42099	0.5
65.03945	7.7
66.73985	0.5
68.23487	0.5
70.78872	1.5
84.04513	1.0
91.05489	80.6
92.05820	1.4
101.07932	0.8
105.07052	1.6
119.04951	100.0
119.08584	2.1
120.05278	1.8
147.04422	56.9
147.11687	2.3
148.04825	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.96985	1.2
51.86090	1.1
53.03945	4.3
55.01870	1.8
55.05500	2.7
56.98454	1.0
65.03930	4.8
69.03422	3.7
71.28883	1.9
79.05494	17.4
81.07060	3.5
88.32544	1.3
91.04908	2.3
91.05484	45.4
93.03429	1.7
93.07046	36.4
95.04971	3.2
103.05463	8.1
105.04493	2.2
105.06311	1.9
105.07034	32.3
106.07844	2.3
107.04969	3.3
107.08591	9.1
109.06554	1.6
115.05460	4.8
116.06257	15.8
119.08569	5.5
121.02870	6.1
121.03973	2.5
121.06503	15.3
121.10151	36.0
121.55417	1.1
123.08063	4.5
125.53732	1.1
129.07022	4.4
131.04962	1.2
131.08569	21.8
133.07623	2.9
134.07268	2.9
147.08063	3.2
149.02347	18.4
149.06023	3.4
149.09627	100.0
149.13264	3.6
150.04245	1.1
150.10054	1.6
168.68141	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03955	12.3
55.01864	3.5
55.05507	2.5
58.26918	1.7
65.03939	11.4
67.05494	1.8
69.03430	4.8
71.25439	1.9
77.03929	3.1
79.05492	31.6
91.05485	73.9
93.03387	4.4
93.07043	68.4
95.04959	10.7
103.05487	18.8
105.03386	3.5
105.04543	4.0
105.07036	39.9
107.04958	6.9
107.08611	13.5
109.06541	3.4
114.99969	1.8
115.05471	5.7
116.06255	17.5
119.08565	7.5
121.02856	13.7
121.03899	3.8
121.06512	26.2
121.10143	44.1
123.08096	3.1
129.07005	5.8
131.04926	5.4
131.08586	20.6
133.07597	3.0
134.07257	3.4
147.08014	3.5
149.02357	34.8
149.06006	10.7
149.09622	100.0
149.13266	3.2
153.14580	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03939	4.5
55.01875	2.7
55.05498	5.0
55.62211	1.2
57.00855	1.3
57.07067	1.2
65.03948	10.5
67.05500	2.1
69.03420	3.7
69.07068	6.3
77.03954	1.9
79.05495	25.9
81.07053	6.5
83.08649	1.1
91.05485	35.7
93.03418	1.6
93.07050	57.9
95.04968	4.8
99.51275	1.3
103.05478	8.6
105.04495	1.9
105.07038	43.0
106.04163	1.9
107.04981	2.3
107.08600	47.0
108.08891	1.7
109.06532	2.9
111.04497	1.7
116.06245	6.2
119.04983	1.3
119.08593	10.2
121.02862	15.4
121.03993	6.7
121.06516	12.9
121.10149	100.0
121.40820	1.1
122.10442	1.8
123.08080	4.0
127.78830	1.3
128.21864	1.3
129.06979	2.8
131.04951	3.0
131.08585	11.8
133.07640	5.4
133.10074	1.8
134.10904	2.2
149.02350	39.5
149.05998	4.6
149.09627	54.6
149.13275	19.7
150.09181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01871	2.9
55.05515	11.2
57.07051	2.0
59.72673	1.4
61.66337	1.5
65.03949	8.5
67.05495	5.3
67.31225	1.4
69.07072	18.0
69.57335	9.3
79.05504	19.1
81.07064	16.1
83.08583	1.8
91.05492	26.7
93.07054	74.1
95.04959	2.7
95.08630	3.1
103.05475	4.3
105.04515	2.3
105.07040	21.7
106.04141	2.1
107.08603	100.0
108.04460	1.3
109.06511	2.5
111.04349	1.3
119.06091	2.2
119.08543	3.5
121.02875	13.3
121.03979	5.3
121.06501	4.3
121.10152	57.6
131.04918	2.2
131.08582	2.0
133.07587	1.7
149.02354	33.2
149.03525	2.6
149.05980	3.6
149.09645	19.5
149.12152	1.3
149.13268	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03933	2.9
53.55512	1.0
55.01879	1.8
55.05508	5.0
55.52274	1.1
57.02044	1.2
65.03618	2.2
65.03943	31.1
65.89135	1.1
67.05181	1.8
67.05509	20.6
69.07076	10.3
70.08367	2.4
70.08760	2.3
71.08640	1.4
77.03882	1.3
79.05502	29.1
81.07065	46.7
82.55841	1.3
83.08621	3.4
91.05497	10.1
93.03391	5.7
93.07051	52.9
93.07647	2.8
95.04980	2.7
95.08617	9.6
98.03639	1.5
98.20852	1.3
101.72169	1.0
103.05460	3.6
105.07030	3.2
107.04962	2.1
107.08606	39.5
108.04483	2.5
111.04437	2.8
119.08597	1.3
121.02872	36.0
121.03979	13.4
121.06515	4.7
121.10146	15.1
131.04900	3.5
147.56723	1.1
149.02351	100.0
149.06007	5.6
149.09608	7.1
149.13275	37.4
150.02705	1.3
150.09166	2.6
150.99725	1.0
169.03497	1.2
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	Ectocarpene
Peak:m/z	Relative Intensity
53.03941	3.6
55.05510	11.9
57.07080	2.2
65.03944	26.1
67.05495	5.9
69.07078	18.4
69.61254	4.9
69.61652	4.3
69.82079	1.8
70.89600	2.2
79.05498	34.4
81.07061	44.0
81.32939	1.7
91.05486	18.2
93.03418	6.4
93.07048	100.0
95.04964	3.6
95.08614	9.7
98.20837	2.5
103.05464	2.8
105.03386	3.1
105.04482	2.9
105.07016	6.4
106.46133	1.6
107.04961	5.2
107.08600	66.2
108.04504	2.1
109.07497	1.8
111.04441	2.2
121.02877	33.0
121.03984	11.3
121.10155	32.8
123.32742	1.9
149.02356	88.5
149.03416	4.1
149.05986	3.9
149.09625	4.8
149.12064	3.8
149.13263	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03950	2.2
53.17003	1.2
55.05522	2.9
57.07075	3.3
65.03946	6.4
66.93095	1.2
69.07076	2.9
69.22830	8.6
69.23252	4.4
71.99915	1.2
79.05504	9.9
80.94543	1.2
81.07071	2.2
91.05488	12.3
93.03429	1.6
93.07055	16.9
95.04971	2.2
98.20798	2.4
102.64063	1.1
103.05499	3.7
105.07039	26.7
107.08600	37.5
109.06526	1.5
117.03405	1.8
119.06061	1.2
119.08604	7.5
120.09385	2.4
121.02878	7.5
121.03986	1.7
121.06516	1.9
121.10156	100.0
122.10474	1.5
123.08087	2.5
130.40646	1.2
131.04971	1.5
131.08632	2.4
133.07657	3.2
133.10150	6.1
134.10924	3.8
149.02380	15.3
149.05951	2.9
149.09650	9.3
149.13255	22.8
169.03577	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03949	3.8
55.01868	1.7
55.05507	6.1
57.07072	5.6
65.03944	18.8
67.05487	5.0
69.07072	20.1
79.05495	21.9
81.07065	11.8
91.05481	29.7
93.03406	5.3
93.07045	63.6
95.04978	4.0
95.08611	3.4
98.21648	3.0
103.05482	5.8
105.07043	27.0
107.08593	100.0
107.87007	1.5
107.94460	1.6
109.06524	1.9
111.04417	2.3
119.06083	4.2
119.08599	9.4
121.02871	25.1
121.03977	8.9
121.06500	6.1
121.10143	72.6
123.08064	2.0
131.04950	4.2
131.08574	3.0
133.07614	2.9
134.10977	2.2
149.02353	57.0
149.05988	7.4
149.07051	1.9
149.09677	9.9
149.13266	39.4
150.13728	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03937	4.6
55.01872	2.6
55.05506	3.8
56.11329	1.2
57.07063	3.2
65.03619	1.6
65.03947	26.5
67.05499	5.3
69.07077	8.1
69.21074	1.2
71.12460	2.1
79.05496	18.8
80.27036	1.2
81.07056	12.2
91.05489	19.7
93.03427	6.8
93.06488	2.4
93.07053	46.6
94.07298	1.2
95.04960	2.9
95.08609	2.3
103.05494	9.9
105.04481	1.5
105.07039	28.8
106.04189	2.3
107.04927	2.5
107.08604	48.9
109.06526	2.1
111.04447	3.5
119.06078	2.1
119.08601	9.0
121.02874	39.3
121.03975	9.7
121.06511	9.0
121.10156	100.0
123.08078	2.6
131.04993	5.6
131.08568	2.6
133.07635	4.3
133.10172	1.6
134.10986	1.5
149.02357	88.3
149.05995	8.1
149.09647	12.6
149.12070	1.6
149.13266	29.4
149.14409	2.3
150.03790	1.2
150.09152	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	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02377	0.6
53.03949	4.7
55.01868	1.3
55.05513	1.6
57.03439	0.5
57.07078	0.5
65.03944	1.2
67.05180	0.7
67.05515	8.4
69.03429	1.1
69.07071	1.3
71.04982	1.5
76.79049	0.5
77.03927	1.4
79.05502	3.2
80.07893	0.4
81.03428	1.3
81.07063	12.9
88.16058	0.5
91.05488	6.7
93.06488	0.7
93.07053	10.7
95.04979	100.0
95.08616	5.7
96.05318	1.1
105.03413	0.4
105.04536	1.9
105.07045	7.0
106.80792	0.4
107.04971	5.6
107.08602	4.5
108.02098	0.5
108.05750	3.1
108.08926	0.5
109.02898	1.3
109.06525	5.1
109.10169	3.5
110.01337	0.5
111.04449	0.9
119.01901	0.5
119.04967	0.9
119.06016	0.5
123.04441	27.8
123.08086	3.6
123.11703	4.6
133.10138	4.7
135.04425	1.0
136.05203	1.6
146.15392	0.5
151.03926	45.1
151.04980	2.2
151.07550	23.6
151.11205	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	151.0752
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
50.36753	0.4
50.70562	0.4
51.02384	0.4
51.80057	0.4
53.03944	0.8
53.54422	0.3
53.73767	0.3
55.01875	0.5
55.05507	0.9
58.78367	0.4
65.03943	1.5
66.04717	0.6
67.05509	2.1
69.03439	0.4
69.62464	2.1
71.30968	0.4
76.51399	0.4
77.03905	0.6
78.04703	0.8
79.05502	2.1
80.06285	3.2
81.07066	6.4
90.04700	1.8
91.05491	9.1
91.16343	0.4
93.03397	0.9
93.07052	5.5
94.04161	0.4
95.04985	2.5
95.08597	1.8
96.94141	0.4
98.21527	0.5
105.03391	1.0
105.07047	2.0
106.04180	1.2
107.04971	23.3
107.08587	1.3
108.05757	9.5
109.06541	2.8
109.10163	1.7
118.04158	0.8
119.04948	1.3
123.04448	1.0
123.08081	1.3
123.11733	1.2
127.07565	0.4
133.10153	1.8
133.39313	0.4
135.04424	6.3
136.05225	7.8
151.03961	1.7
151.07558	100.0
152.07921	1.1
168.56599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0751
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
53.03943	0.5
65.03933	1.6
66.04710	0.8
67.05495	0.7
69.52543	2.3
69.52870	0.5
77.03902	0.4
78.04713	0.9
79.05507	1.6
80.06268	2.6
84.63469	0.3
87.17776	0.3
89.03942	0.3
90.04698	1.5
91.04916	0.5
91.05483	9.2
93.03409	0.9
93.07040	0.6
95.04963	0.8
105.03413	0.9
106.04205	1.6
107.04958	24.4
108.05746	9.3
109.06483	0.5
111.72429	0.4
116.13463	0.3
118.04157	0.8
119.04934	1.0
121.06501	0.4
123.08129	0.4
135.04417	7.7
136.05208	7.2
151.04089	2.4
151.07547	100.0
152.07872	1.0
158.17438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
53.03935	6.0
55.01857	6.3
55.05499	4.2
57.03416	2.3
57.76836	1.3
63.77554	1.1
65.03944	10.7
67.05186	1.9
67.05511	26.5
68.99777	2.5
69.03439	13.9
69.07066	1.5
71.04976	3.5
71.51712	2.2
77.03945	1.9
79.05505	15.4
81.03408	4.3
81.07060	77.2
91.05480	14.4
93.03461	1.4
93.07048	38.1
95.04967	18.7
95.08609	18.3
103.05477	1.4
105.04503	1.8
105.07038	28.0
107.04957	4.1
107.08598	15.0
108.02105	12.6
108.05733	2.8
109.02884	2.8
109.06525	61.5
109.07278	2.9
109.10159	9.5
121.03941	2.4
121.10130	2.6
123.04432	9.7
123.08072	13.9
123.11716	18.8
125.14286	1.5
127.07544	2.2
133.02855	4.3
133.06511	7.2
133.10146	18.9
136.01587	2.6
141.05431	6.8
151.03911	100.0
151.05058	31.1
151.07556	61.5
151.11192	62.1
152.04420	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
53.03943	0.4
55.01862	0.2
55.05510	0.4
60.80084	0.2
65.03932	1.1
66.04707	0.6
67.05495	0.8
71.68725	0.2
74.67987	0.2
77.03917	0.5
78.04713	1.0
79.05492	2.3
80.06274	3.2
81.07034	1.4
87.36651	0.2
90.04710	1.7
91.05482	7.6
93.03413	0.8
93.07028	1.5
94.04208	0.3
95.04960	1.2
95.08605	0.9
95.44479	0.2
105.03368	1.1
105.04510	0.3
105.07026	0.6
106.04186	1.8
107.04955	22.8
107.08571	0.4
108.05741	9.5
108.29072	0.2
109.06553	1.0
109.10164	0.6
118.04164	1.3
119.04919	0.6
119.06057	0.3
121.06490	0.4
123.08048	0.7
123.11703	0.4
133.10120	0.5
135.04414	6.2
135.05443	0.4
136.05205	4.8
151.07542	100.0
151.11142	1.4
152.07874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
52.37947	0.5
53.03931	1.1
55.05507	1.3
57.03439	0.6
58.19250	0.4
65.03941	1.8
66.04734	1.0
67.05518	3.9
69.03436	0.8
69.07057	2.1
69.20118	0.5
69.51413	3.4
71.04991	1.9
77.03914	0.7
78.04723	1.1
79.05495	4.1
80.06274	2.7
81.07066	13.1
90.04698	1.8
91.05491	11.5
93.03392	1.0
93.07056	10.5
95.04962	4.6
95.08614	4.0
98.21494	0.9
105.03417	1.3
105.06467	0.6
105.07044	4.9
106.04170	1.6
107.04967	22.1
107.08608	4.0
108.02099	0.6
108.05756	10.3
109.06529	5.2
109.10178	3.3
118.04174	1.6
119.04949	1.8
119.06045	0.9
121.06525	0.7
123.08075	2.6
123.11703	6.8
133.10162	3.9
135.04437	8.3
136.05219	10.6
151.04070	3.1
151.07559	100.0
151.11172	15.2
152.07887	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	151.0755
Annotation	875-59-2
Peak:m/z	Relative Intensity
53.03939	3.2
55.01860	3.7
55.05515	8.8
57.07073	1.4
65.03942	2.2
67.05506	17.2
68.68674	1.2
68.99780	2.4
69.03435	21.8
69.07050	2.4
71.05002	2.2
71.52164	1.5
79.05492	15.2
81.03405	3.4
81.07058	42.7
81.07535	2.1
83.04956	2.3
91.05484	17.2
93.07043	32.9
94.04186	1.2
95.04974	12.8
95.08617	27.2
95.16778	1.1
98.97530	1.4
103.05459	3.4
105.07032	30.1
107.04958	5.2
107.08595	13.3
108.02089	1.1
108.05740	5.2
109.02896	1.3
109.06519	46.2
109.10165	12.1
110.84402	1.3
111.04435	1.2
119.01768	1.1
119.04970	2.6
121.10104	2.0
122.07277	2.3
123.04417	4.9
123.08070	19.5
123.11707	12.1
123.70383	1.2
124.07605	3.6
133.02913	1.8
133.06514	11.2
133.10130	11.8
135.04462	1.8
136.05179	3.1
151.03937	14.4
151.07552	100.0
151.11197	39.5
159.88159	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	CARVONE
Peak:m/z	Relative Intensity
53.03945	4.4
55.05513	100.0
56.96584	0.6
57.03439	1.4
57.07079	3.2
59.04994	2.5
65.03944	2.0
67.05508	21.3
69.03429	3.2
69.07070	4.0
71.04974	0.8
71.08634	0.9
71.10653	1.3
79.05495	8.8
81.07058	37.4
83.04998	0.9
91.05484	9.4
93.07049	12.7
93.14847	0.6
95.04971	12.5
95.08609	19.9
96.08987	0.6
97.06531	16.1
98.21205	0.7
103.05498	1.1
105.07037	14.1
107.04939	1.5
107.08594	15.5
108.05767	0.9
109.06515	15.1
109.10160	35.8
110.07321	1.1
119.01797	0.8
119.06026	0.7
121.06550	0.6
121.10152	2.8
123.04438	1.8
123.08054	4.9
123.10832	1.2
123.11711	13.9
125.09689	0.7
131.08565	0.7
133.06500	1.8
133.10118	6.7
151.03906	4.8
151.04993	1.2
151.07553	11.8
151.08687	1.2
151.11194	27.4
151.14835	2.6
168.01070	0.6
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	Lyratal
Peak:m/z	Relative Intensity
53.03948	3.3
55.01871	0.5
55.05511	1.8
57.03444	0.9
57.07075	0.8
59.05005	0.6
65.03951	1.1
65.04310	0.4
67.05506	6.1
68.99799	1.0
69.03450	1.0
69.07063	0.8
70.97865	1.0
71.04998	2.2
77.03929	1.1
79.05495	4.6
81.03412	1.3
81.07060	23.9
83.05011	0.7
91.04913	0.9
91.05487	18.3
93.07048	100.0
94.07372	1.0
95.04977	7.4
95.08602	4.5
97.06538	0.6
103.05476	0.7
105.04522	1.7
105.06319	0.9
105.07037	17.5
107.05003	0.5
107.08598	7.4
108.02100	1.3
109.02895	0.9
109.06528	10.4
109.10157	7.5
110.20388	0.4
119.01833	0.5
119.04980	0.5
121.10152	0.9
123.04437	2.7
123.08059	3.5
123.11722	6.6
131.08563	1.4
133.02841	1.1
133.06474	0.6
133.10135	20.7
134.10454	0.5
136.08810	1.0
141.05513	0.7
151.02754	0.9
151.03931	11.2
151.05046	1.7
151.07587	4.1
151.11188	52.5
152.11526	1.2
159.68840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.02355	0.6
51.32030	0.6
53.03934	2.4
55.01867	0.8
55.05512	4.8
55.36689	0.7
56.96574	0.9
57.03428	1.3
57.07069	3.0
59.05002	0.8
62.37021	0.6
65.03931	2.2
67.05506	15.8
69.03421	2.3
69.07054	2.8
69.37662	5.5
71.05006	3.5
77.03927	1.1
79.05497	9.9
81.03416	1.4
81.07058	79.6
85.73027	0.8
89.06049	0.7
91.04916	1.2
91.05485	21.2
93.07047	53.7
95.04970	9.3
95.08611	18.3
95.09184	1.4
97.06511	1.1
98.97583	0.9
103.05472	0.9
105.03398	0.8
105.04497	0.9
105.06319	1.4
105.07029	25.5
107.04965	9.9
107.08597	16.6
108.02097	1.4
108.05742	6.2
109.02846	0.7
109.06523	27.1
109.10146	11.7
110.01310	0.7
119.01794	1.3
119.04916	1.0
121.10157	2.2
123.04421	2.0
123.08067	22.2
123.11707	26.2
126.99136	0.7
128.02351	1.0
131.08597	1.9
133.10130	36.0
135.04404	2.1
136.05200	5.8
141.05453	0.9
141.65749	0.7
151.02800	0.7
151.03908	9.0
151.05038	2.6
151.07555	54.4
151.11182	100.0
152.11516	2.0
163.03978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Car-3-en-5-one
Peak:m/z	Relative Intensity
53.03948	4.9
55.01876	1.4
55.05515	100.0
56.05851	0.8
57.03438	1.2
57.07085	3.8
59.05003	3.4
65.03939	1.8
67.05512	19.6
69.03432	3.0
69.07074	4.3
69.27512	0.7
69.46805	1.5
69.47216	3.3
71.05010	1.5
79.05497	12.1
81.02927	0.7
81.03420	0.9
81.07061	68.3
82.07394	0.8
90.84238	0.7
91.05493	16.5
93.07049	30.8
95.04974	14.5
95.08617	12.5
97.06540	16.2
103.05465	0.7
105.07042	21.3
107.08595	20.6
108.05716	0.7
109.06523	15.7
109.10165	28.1
110.07306	1.1
117.71117	0.8
119.01833	0.8
119.04955	2.6
121.10151	2.3
123.04456	1.5
123.08085	4.2
123.11716	26.9
131.08589	1.7
133.02913	0.9
133.06447	1.7
133.10138	15.7
136.08879	1.1
151.03949	6.3
151.05042	1.1
151.07547	5.5
151.11192	39.3
163.38503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19098	0.4
53.03941	1.7
53.90086	0.4
55.01860	0.5
55.05516	2.9
56.96562	1.7
57.03425	0.7
57.07080	4.4
62.28561	0.4
65.03939	1.7
66.04709	0.7
67.05509	14.5
68.99780	0.7
69.03438	0.6
69.06732	0.9
69.07069	10.6
71.05009	0.5
71.08633	1.4
71.52304	0.8
73.02902	0.6
75.51807	0.4
76.46722	0.5
79.05489	10.5
80.06252	2.2
81.03426	1.0
81.07057	100.0
82.07396	1.4
83.04987	0.5
83.08603	0.9
89.05988	0.8
90.04700	0.8
91.05485	7.9
91.81324	0.4
93.03418	1.0
93.07037	4.6
95.04976	3.2
95.08610	54.3
96.08916	0.5
98.97580	1.4
105.03371	1.5
105.04517	0.6
105.07046	3.6
106.04196	0.9
107.04963	15.7
107.08583	3.0
107.47609	0.7
108.05746	6.7
109.02905	0.6
109.06523	3.2
109.10162	18.0
110.01280	2.0
110.97570	0.6
113.51723	0.5
114.95985	0.5
118.04210	0.5
119.01812	2.0
123.04458	1.5
123.08089	2.9
123.11725	5.5
124.07581	0.6
128.02310	2.0
133.02850	0.8
133.06462	0.9
133.10114	1.8
135.04424	4.8
135.10545	0.4
136.05203	4.8
151.03960	7.7
151.07549	77.3
151.11136	5.8
151.14818	5.6
152.07967	0.8
160.95558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1483
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
54.46967	0.6
55.05511	6.3
56.96561	2.2
57.03461	1.1
57.07072	1.0
65.03947	2.9
66.04730	0.9
67.05511	86.9
68.05850	0.7
69.07079	4.7
73.63960	0.7
78.04717	0.6
79.05509	6.1
80.06282	1.4
81.07064	46.9
83.04980	1.1
83.08614	1.0
85.20482	0.8
89.06024	1.8
91.05472	4.1
93.07065	7.3
95.04977	3.4
95.08616	100.0
96.08939	1.4
98.97599	1.3
105.03391	0.8
105.07055	3.9
107.04964	6.4
107.08619	5.2
108.05738	2.5
109.06528	2.9
109.10164	52.7
119.01829	1.1
123.04438	1.7
123.08105	3.7
123.11725	2.1
128.02339	0.9
133.10172	2.3
135.04391	1.3
136.05219	1.7
151.02859	1.3
151.03946	2.9
151.04991	0.9
151.07564	27.9
151.08473	1.1
151.09486	1.1
151.10063	0.9
151.11179	8.2
151.12254	1.1
151.14842	12.7
152.07062	0.8
164.56914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02415	0.4
51.66954	0.2
53.03954	0.9
55.01877	1.4
55.05517	1.5
55.50023	0.4
56.00274	0.7
56.96567	66.7
57.03443	3.2
57.07077	10.3
58.07399	0.4
58.50523	1.8
58.96163	0.5
60.95855	9.8
60.96169	0.5
61.02929	1.7
64.50546	2.0
65.03943	6.2
66.00517	0.6
66.04722	0.4
67.05507	21.0
67.51070	3.8
68.00288	0.3
68.05041	0.3
68.05840	0.8
69.01064	0.3
69.03436	3.5
69.07063	0.5
69.72498	1.5
70.01355	0.2
70.03762	0.4
70.98122	0.3
71.04983	0.6
71.95266	4.5
72.96053	0.6
73.02920	4.9
73.51070	4.3
74.00272	0.4
74.03256	0.4
74.51847	0.3
74.97607	3.4
75.01051	1.9
75.01787	0.6
76.00739	0.3
76.51601	1.9
77.00826	0.3
77.03917	0.7
77.51331	1.3
78.00514	0.3
78.04737	0.4
78.96896	0.4
79.01301	1.4
79.01816	0.5
79.05497	13.3
80.05014	0.7
80.05849	0.5
80.06274	2.6
81.01055	0.8
81.03421	2.2
81.05793	1.5
81.07059	32.1
82.03754	0.4
82.06606	0.4
82.07384	1.7
82.51572	1.9
83.00775	0.5
83.04979	1.3
84.01560	0.6
84.02335	2.8
84.08157	0.6
84.96040	3.0
85.01283	1.4
85.02913	5.4
85.06551	5.5
85.52125	0.2
86.02083	0.8
86.03231	0.5
86.51835	3.0
86.97612	0.3
87.01054	1.7
87.01995	0.3
87.02835	0.3
87.04478	0.7
88.01826	3.7
88.51967	0.3
88.99150	0.4
89.00758	1.2
89.02605	0.8
90.01559	1.1
90.02317	0.8
91.02352	0.4
91.05486	16.5
92.05821	1.1
92.06324	0.4
92.98656	1.7
93.00917	1.0
93.02847	14.7
93.03398	1.1
93.07048	11.2
93.53047	0.7
94.01805	4.6
94.04180	0.7
94.06571	1.6
94.07384	0.8
94.52046	0.5
95.00772	0.9
95.02529	0.7
95.04977	3.3
95.08617	3.6
95.50986	0.5
95.52375	0.5
95.53107	1.2
96.01553	1.2
96.04461	0.5
96.05306	0.5
96.08134	2.2
96.51717	0.4
96.97930	0.5
97.00470	0.2
97.02312	1.0
97.02900	4.4
97.06551	0.4
97.96810	0.4
97.99188	25.5
98.01267	0.6
98.02054	0.4
98.03199	0.7
98.21484	0.5
98.51816	0.5
98.53655	0.3
98.97588	100.0
99.02825	6.6
99.04471	0.7
99.52568	0.7
99.65239	0.2
99.97898	1.7
100.01798	1.1
100.02430	0.4
100.52181	0.3
100.99155	0.7
101.00761	0.9
101.02586	1.1
101.50947	0.4
101.53065	0.3
101.54000	0.3
102.01494	2.8
102.03366	30.4
102.51635	0.3
102.53629	1.9
103.02258	2.9
103.05450	0.4
104.01286	0.7
104.03040	0.3
104.51487	0.5
104.53629	8.6
105.00184	0.5
105.03794	0.8
105.04524	0.7
105.07040	2.1
105.52589	2.7
105.54433	0.3
105.55237	0.3
106.01790	1.0
106.02763	0.3
106.06576	2.9
106.07293	0.5
107.02588	2.3
107.04961	2.7
107.08559	1.3
107.52327	0.4
108.01440	8.1
108.03358	41.1
108.51580	0.3
108.53544	3.5
109.02258	0.4
109.02894	1.1
109.03550	0.3
109.06522	6.6
110.01284	1.7
110.03606	1.2
110.06071	0.5
110.51427	2.1
110.53625	3.0
110.54498	1.2
110.97576	9.4
111.01983	1.1
111.03864	13.5
111.04484	1.4
111.08075	1.8
111.53546	0.6
111.54166	0.5
111.55196	0.3
112.02760	0.8
112.07616	1.1
112.99138	0.7
113.54156	61.7
114.04333	5.0
114.53117	0.5
114.54469	0.5
115.00676	0.3
115.02342	2.4
116.00225	9.0
116.03130	1.3
116.98628	36.3
117.01965	20.0
117.03878	28.1
117.07000	0.4
117.52138	1.1
117.54058	1.9
117.98966	0.8
118.00998	0.4
118.02074	0.3
118.04169	0.6
119.00239	0.3
119.01798	2.3
119.04963	4.0
119.05851	0.5
119.52058	2.0
119.54150	21.8
119.97347	0.3
120.01567	0.3
120.04343	2.7
120.05193	0.5
120.54977	0.4
121.06508	0.8
122.03085	0.5
122.06043	2.0
122.54675	35.5
123.01236	0.5
123.04890	2.5
123.06776	1.2
123.08070	2.1
123.54810	0.5
124.02838	0.7
124.03921	0.5
124.07597	5.0
124.08446	0.3
124.54263	0.3
124.99125	0.6
125.04928	2.9
125.05983	0.9
125.55089	0.3
126.02477	3.6
126.04382	1.2
126.52637	0.5
126.96998	0.4
127.00667	0.5
127.03970	1.3
128.02316	1.5
128.04424	0.4
128.52646	3.9
128.54663	8.5
128.98616	10.4
129.01976	0.2
129.03961	0.4
129.04845	1.0
129.55438	0.3
129.98958	0.2
130.02791	0.3
130.08681	0.3
131.00209	0.3
131.04890	0.9
131.55170	1.0
134.01279	0.9
134.06029	49.0
134.99661	9.1
135.03021	1.5
135.04439	2.3
135.06400	0.3
135.08047	0.8
136.01425	0.7
137.02754	1.1
137.05992	12.6
137.55215	0.4
137.98415	0.3
138.06339	0.4
139.00652	0.6
139.01770	0.6
140.00182	1.6
140.03348	0.3
140.57375	0.4
140.98584	0.4
141.02226	5.0
141.07416	0.3
143.00177	1.2
143.03734	0.4
144.98067	0.5
145.01677	0.5
145.04999	0.4
146.99667	5.6
149.01247	0.3
151.00690	0.8
151.59698	0.8
152.01663	0.4
152.04201	2.1
152.05679	7.8
152.07014	15.7
152.10706	1.1
153.04074	3.0
153.05458	1.1
153.09065	0.4
154.02452	0.3
155.03772	0.4
156.03320	7.1
157.01721	0.7
158.01250	0.6
158.99661	18.2
159.03293	6.9
159.04626	0.3
159.99965	0.4
161.01195	0.9
161.04633	2.9
162.99147	0.4
165.00731	0.6
165.02255	0.3
167.03751	0.4
168.03412	0.6
169.01753	1.5
170.99661	0.6
173.01170	0.4
174.04387	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	153.091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.1
51.02378	0.1
53.03949	0.3
55.01873	0.2
55.05508	0.6
57.03429	0.3
59.04995	0.1
65.03940	3.1
67.05505	3.8
67.06313	0.1
68.99796	0.1
69.03429	0.3
69.07063	0.6
70.39259	0.1
70.39585	0.2
70.94260	0.3
71.04982	0.5
79.05490	3.9
81.03369	0.1
81.07053	2.4
82.04216	0.1
83.04982	0.6
83.08634	0.2
85.02904	0.2
91.05476	1.3
92.19009	0.1
93.03407	2.2
93.06480	0.2
93.07045	2.7
95.04967	100.0
95.08595	1.9
96.05306	0.9
97.06529	1.3
105.03338	0.1
105.07014	0.6
107.04955	3.4
107.08596	3.3
109.06520	3.0
109.10166	0.8
110.03653	0.5
111.04449	2.7
111.08073	2.7
111.96845	0.2
117.07012	0.2
123.04426	1.4
123.08077	0.1
125.05999	4.0
125.09654	0.2
135.04422	1.9
135.08070	0.9
135.11690	1.2
137.02361	0.3
138.03123	0.7
139.42979	0.1
153.05470	5.3
153.09108	2.5
153.12749	1.0
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
53.03949	0.3
55.01875	0.3
55.05514	1.3
57.03436	0.5
57.07075	0.2
59.04993	0.4
60.61532	0.1
65.03947	2.0
67.05513	4.1
69.03408	0.2
69.07073	1.0
69.46497	0.6
69.46917	0.6
69.65492	0.2
70.94273	0.2
71.04996	2.1
73.06561	0.7
79.05493	3.1
81.07057	6.3
83.04983	0.8
83.08658	0.3
91.05483	1.1
93.03397	0.8
93.07053	2.8
95.04973	100.0
95.08595	0.8
96.05295	1.1
97.06530	1.2
105.07031	0.6
107.04963	0.4
107.08603	3.4
109.06528	3.4
109.10148	0.6
111.04441	1.0
111.08092	2.5
117.07018	0.2
125.06008	0.6
125.09617	0.4
135.08086	1.0
135.11687	1.7
153.05544	0.3
153.09109	2.8
153.12756	1.2
154.08595	0.3
160.43364	0.2
174.25899	0.2
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	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
51.11666	0.7
53.03928	2.6
53.94584	0.9
54.76183	0.9
55.01870	1.4
55.05512	8.6
57.03445	4.3
57.07071	1.2
59.05000	0.9
65.03615	1.4
65.03944	23.0
67.05508	25.8
69.03423	2.1
69.07069	41.3
70.94260	3.5
70.95865	2.4
71.04980	2.5
71.13027	2.0
71.94106	1.7
71.95258	1.4
79.05498	30.6
81.07059	41.6
83.04991	5.7
83.08608	3.7
85.02892	1.1
85.06538	1.5
91.05489	7.4
93.03412	16.5
93.07045	42.7
95.04981	7.1
95.08611	21.6
97.05929	1.4
97.06535	20.7
97.83822	0.8
105.07012	1.9
107.04959	5.2
107.08598	46.5
109.06512	9.8
109.10160	31.7
110.01347	0.8
110.03639	4.4
111.04449	34.0
111.08068	7.8
111.11742	1.3
111.96863	3.6
112.96782	1.2
125.05997	22.2
125.06875	0.8
125.09621	2.2
129.97878	1.8
133.10127	1.5
134.06001	2.9
135.04414	3.1
135.08067	2.8
135.11697	94.9
136.03943	1.1
136.12041	1.2
152.99506	1.2
153.01938	1.6
153.05487	13.4
153.07396	2.7
153.09163	4.9
153.12749	100.0
154.05009	1.4
154.13216	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03949	5.5
55.05517	11.6
56.39503	1.7
56.96568	14.8
57.03440	1.7
59.04996	4.0
65.03938	6.0
67.05509	19.6
69.03420	1.6
69.07081	7.7
69.93828	6.8
71.05000	31.7
73.06562	15.4
77.03912	1.5
79.05497	50.4
81.03417	2.3
81.07061	100.0
82.07392	1.4
83.04983	4.3
83.08616	2.5
85.06568	1.7
91.05488	19.7
93.03410	8.4
93.07049	44.7
95.04985	9.3
95.08611	11.9
97.06527	7.3
102.63641	1.3
104.97614	1.3
105.00152	1.9
105.07032	7.5
107.02576	7.3
107.04987	6.4
107.08601	43.6
108.01530	4.2
109.06526	31.1
109.10157	8.6
110.03621	1.4
111.04449	14.8
111.08079	5.3
116.03101	9.3
117.02085	3.5
117.07020	5.2
119.06066	1.7
121.02296	3.0
121.06489	1.6
123.04438	1.5
125.05986	4.9
125.09676	1.3
130.02829	5.2
131.05005	1.3
135.04448	2.6
135.08087	7.4
135.11719	24.5
138.03093	1.6
139.03336	2.0
153.05452	5.7
153.09135	6.0
153.12758	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03941	2.0
54.18104	0.9
55.01852	0.9
55.05513	9.3
57.03431	2.2
57.07052	2.7
59.04993	1.6
65.03946	7.1
67.05183	1.4
67.05508	15.4
69.03421	3.2
69.07072	18.8
71.04996	6.0
71.52338	1.1
71.52708	0.9
73.06546	2.4
75.40807	0.9
77.00025	1.0
79.05502	17.7
81.06593	1.8
81.07060	26.0
83.04977	6.0
83.08630	6.6
91.05475	9.7
93.03410	7.5
93.07049	73.2
95.04974	5.9
95.08611	65.9
97.06535	14.4
102.56658	0.9
105.07024	2.4
107.04980	4.9
107.08598	100.0
109.06522	6.5
109.10162	17.7
110.03674	2.2
111.04446	6.8
111.08090	3.1
119.06071	0.9
125.05999	8.3
125.09609	1.1
135.04395	1.7
135.08168	1.2
135.11702	45.6
153.05495	7.3
153.08064	1.1
153.09126	3.3
153.12752	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03950	2.1
55.01873	1.0
55.05511	8.5
57.03446	3.2
57.07075	2.3
59.04999	1.3
65.03944	7.5
67.05508	20.2
69.03436	2.0
69.07072	21.8
71.05004	4.2
79.05497	20.1
81.07066	29.0
83.04993	4.3
83.08631	6.6
84.56217	0.7
91.05483	10.7
93.03418	7.4
93.07050	73.3
94.07384	0.9
95.04985	4.3
95.08614	100.0
96.08945	1.2
97.06540	11.8
104.06207	0.7
105.07042	4.6
107.04976	8.8
107.05665	1.3
107.08602	89.6
108.08894	0.9
109.06528	7.3
109.10167	22.5
110.03684	1.2
111.04449	6.0
111.08096	3.8
117.06991	0.9
117.35749	1.0
119.06090	1.1
123.04423	1.3
123.11716	2.2
125.05995	4.6
135.04466	4.2
135.08041	2.4
135.11702	39.3
136.12039	0.8
152.99644	0.7
153.05476	6.3
153.09085	1.8
153.12764	29.9
174.63011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.73623	1.0
53.00323	1.6
53.03951	3.4
54.31972	1.1
55.05516	14.1
56.96561	3.0
57.03432	1.8
57.97637	1.0
59.05005	6.1
65.03935	3.7
67.05507	11.8
69.07077	9.3
69.50054	5.6
69.50465	2.4
71.05000	39.7
73.06563	17.8
77.03942	1.3
79.05499	29.5
81.07061	100.0
83.04994	2.8
83.08628	1.6
83.09081	1.2
85.06531	1.9
91.05487	9.5
93.03415	3.6
93.07049	39.8
95.04973	12.7
95.08606	11.5
97.06516	6.1
105.07031	4.3
107.02586	1.5
107.04980	2.1
107.08600	45.4
108.08934	1.3
109.06528	14.5
109.10172	7.9
111.04444	8.6
111.08071	5.2
116.03053	1.1
119.08585	1.4
125.06008	3.2
135.04442	1.4
135.08041	2.8
135.11696	31.3
151.61079	1.2
153.05507	5.0
153.09137	3.7
153.12753	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03945	4.2
55.01867	4.3
55.05511	15.8
56.96562	4.6
57.03431	3.1
57.07076	1.5
59.04996	6.3
65.03941	13.1
67.05186	1.7
67.05510	21.6
69.03430	4.0
69.07068	16.4
69.40280	10.6
70.94273	1.8
71.05000	28.5
73.06551	9.7
79.05499	49.7
81.07059	100.0
83.04980	8.4
83.08633	3.8
91.05493	23.6
93.03414	11.3
93.04408	1.4
93.07049	64.2
93.35314	1.6
95.04972	36.8
95.08614	43.2
97.06526	12.5
105.07059	9.9
107.04946	9.1
107.08604	68.9
108.01585	1.3
109.06522	35.6
109.10175	14.5
110.03693	2.0
111.04440	9.0
111.08096	12.1
111.96859	1.6
115.05459	1.8
116.03123	2.1
117.02077	3.4
117.07025	6.3
119.06103	2.1
119.08641	2.0
121.02344	1.5
121.06557	1.7
123.08082	5.9
125.05991	8.7
125.06804	1.4
125.07941	2.2
125.09647	4.0
125.40654	1.3
130.02795	1.5
135.04404	3.0
135.08072	10.8
135.11699	25.1
150.35406	1.4
153.05460	9.2
153.09143	10.2
153.12746	20.0
154.08661	4.1
167.31671	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	153.1274
Annotation	2-Isopropenyl-5-methylhexa-trans-3,5-diene-1-ol
Peak:m/z	Relative Intensity
52.80748	0.4
53.03947	0.9
55.01877	0.7
55.05308	0.4
55.05516	3.8
57.03432	1.4
57.07076	1.2
65.03943	6.4
67.05508	10.6
69.03422	0.9
69.07067	7.2
69.72604	0.7
69.73013	1.9
70.94250	0.7
70.95889	0.5
71.04996	1.6
79.05494	10.4
81.03405	0.8
81.07056	13.0
83.04974	2.4
83.08640	2.0
91.05487	5.7
93.03403	5.5
93.07047	30.9
94.07430	0.5
95.04972	100.0
95.08609	34.0
96.05288	1.1
97.06536	3.5
105.07041	2.3
107.04954	3.9
107.08598	42.1
109.02895	0.9
109.06532	7.1
109.09472	0.7
109.10162	8.4
110.03661	1.3
111.04445	6.3
111.08062	3.5
117.07012	0.6
123.04433	2.4
123.11767	0.5
125.05995	5.8
125.09634	0.8
126.05520	0.6
129.98076	0.4
135.04462	2.0
135.08052	2.3
135.11691	18.1
137.02417	0.7
138.03114	0.5
153.05476	8.5
153.09123	4.1
153.12749	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	153.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.05518	100.0
57.07085	19.5
69.07074	67.0
70.06597	5.0
71.06079	1.9
71.08619	9.8
71.19570	3.3
74.01181	2.0
81.07059	4.9
83.08162	3.5
83.08627	55.9
84.08118	2.0
85.07630	2.4
93.07089	2.3
95.04962	2.8
95.08595	4.7
97.09554	4.1
97.10172	72.4
109.07588	2.5
109.30367	2.0
111.04464	5.1
111.08039	3.0
111.09174	4.1
111.11715	6.5
112.08710	8.0
125.05956	3.0
136.08722	2.5
153.06592	3.2
153.10199	4.9
153.11340	12.3
153.12436	2.5
153.13768	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	155.019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01888	6.2
56.96307	1.3
56.96567	20.4
57.03439	15.5
58.99852	2.1
60.71115	1.1
61.02677	1.0
61.02925	10.0
64.95547	1.9
68.00256	1.7
68.05025	2.4
69.03433	12.9
70.06592	9.4
70.99854	3.8
71.01347	1.7
71.50665	1.3
71.51044	1.7
71.95254	1.8
72.08159	11.0
73.02921	59.3
74.00253	2.8
74.09694	1.2
75.01029	4.4
77.00848	2.3
78.52959	2.3
79.02171	3.0
79.05486	2.1
80.00250	1.5
80.02037	1.3
81.03418	6.3
81.07026	1.5
82.01436	6.0
82.99835	3.3
83.00372	1.2
83.00786	10.3
83.04970	2.1
84.01585	7.0
84.52936	5.1
85.01405	2.5
85.02905	22.6
86.06055	14.5
86.52691	4.6
86.99324	1.5
87.01008	1.4
87.04459	2.2
88.02688	13.3
88.52740	2.0
89.00791	7.0
90.01537	1.4
90.05566	2.3
90.52927	2.6
91.05490	2.1
92.00214	1.3
92.01304	3.2
93.01908	13.2
93.51949	1.4
93.53462	3.4
94.01764	1.7
94.99816	2.2
95.00771	6.3
95.03419	1.4
95.53220	4.0
96.01553	3.9
96.04482	18.1
97.02859	10.3
97.96749	1.6
98.01311	1.9
98.09676	4.0
98.52694	2.1
98.97591	60.2
99.04437	3.5
99.53445	3.4
100.02486	10.0
100.03485	1.5
101.00874	39.7
101.02528	1.4
102.00941	3.1
102.01545	6.8
102.02402	13.6
102.52489	2.9
103.00561	3.1
103.02380	3.0
104.01282	14.0
104.52679	2.7
105.00342	1.3
105.02036	4.4
106.96535	1.2
107.00767	2.7
107.01793	1.7
107.23012	1.2
109.02869	3.4
109.06490	3.7
110.01285	13.1
110.03844	1.5
110.07162	9.6
110.97564	5.7
111.02037	5.4
111.02934	3.3
112.99162	2.4
113.00878	37.3
113.01776	4.9
113.53198	7.5
114.00938	5.7
115.02414	2.5
116.01270	4.6
116.98629	15.4
117.02061	3.3
118.03529	3.4
119.01898	62.6
120.02009	2.4
121.01624	3.1
121.52063	1.5
122.53723	12.0
123.03871	2.2
124.02452	20.3
124.99173	1.3
125.01753	3.1
125.02576	3.1
126.02369	1.9
127.03941	3.0
128.02382	5.8
128.98624	9.5
129.04024	2.6
131.00197	4.3
131.01909	100.0
131.54222	1.7
131.96231	1.9
132.01956	13.9
133.01593	2.1
133.03447	10.1
134.02274	2.7
134.99678	3.6
137.02930	3.4
137.05983	2.9
137.10730	6.8
138.09134	23.6
142.03513	51.5
143.00145	2.1
143.01855	3.0
143.03625	5.5
144.03217	4.1
145.03453	3.9
146.02316	1.8
146.99733	6.9
147.05026	3.3
149.01231	10.1
149.02971	14.8
151.04524	1.5
154.03549	7.0
155.01910	15.6
155.03632	4.6
155.11812	4.9
156.04131	7.0
156.10159	2.5
157.03444	1.9
158.99709	6.1
160.04517	2.2
161.03009	2.5
164.02345	1.8
165.00656	1.8
165.05081	2.1
167.02034	2.2
172.04523	3.7
173.01472	2.0
173.02969	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	155.0703
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
53.03949	5.4
55.01873	23.0
55.05511	9.3
56.96566	1.0
57.03437	5.0
65.03930	3.3
67.05506	9.6
68.99768	1.2
69.03433	21.9
69.07069	1.2
70.90505	2.2
71.04992	6.1
72.93784	4.9
73.02919	14.7
77.03933	1.4
78.26714	0.9
79.05494	29.2
81.03416	11.8
81.07057	50.9
83.04979	56.4
84.99832	0.8
85.02892	3.0
85.06538	1.8
91.05480	27.3
93.07014	1.2
94.04183	1.4
95.04970	20.6
97.06538	5.0
98.04539	0.9
98.09689	2.0
98.97561	0.8
99.04456	9.1
107.04941	3.6
109.02856	4.4
109.06519	100.0
111.04445	5.6
113.06004	4.2
113.96386	3.8
119.04945	16.5
125.05991	3.8
127.03920	1.9
127.07540	3.2
130.81180	0.8
132.95808	1.1
137.05978	43.2
150.96887	1.2
155.07028	14.8
164.18607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0705
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
53.03949	5.0
55.01880	23.7
55.05523	6.9
57.03437	3.3
65.03934	2.1
67.01856	0.9
67.05512	9.1
68.99776	0.7
69.03440	21.3
69.07056	1.3
70.37963	0.7
71.01354	1.1
71.05006	4.8
72.93797	2.4
73.02927	16.5
79.05504	26.1
80.05863	0.7
81.03431	10.8
81.07066	50.9
83.04990	49.6
85.02914	2.9
85.06525	1.7
91.05492	24.7
93.07071	1.8
95.04977	21.8
95.05576	1.6
97.06536	4.1
98.09702	2.5
99.04469	6.7
107.04969	4.6
109.02882	2.8
109.06528	100.0
110.06867	0.9
111.04459	4.6
113.06016	3.3
113.96394	2.5
119.04960	17.2
125.06033	3.6
127.03932	1.5
127.07604	4.3
137.05994	45.6
138.06451	0.8
155.07057	14.0
168.10318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1068
Annotation	4-Hydroxy-3,5,5-trimethylcyclohex-2-enone
Peak:m/z	Relative Intensity
51.02377	1.1
53.03946	4.8
55.00078	0.9
55.01861	4.3
55.05508	2.8
59.04994	4.4
65.03938	1.3
67.05508	12.8
69.03433	4.4
70.65636	2.2
71.04985	2.4
72.20712	1.0
72.93789	5.6
73.02905	2.8
77.03925	1.2
79.05500	49.6
81.03403	3.2
81.07067	20.7
83.04493	1.2
83.04992	18.3
91.05492	7.5
91.75424	0.9
93.07058	11.3
94.03670	1.2
94.04184	5.6
95.04983	15.0
95.08617	24.6
96.05759	1.9
97.06529	3.2
98.09661	3.0
99.04451	2.6
103.05470	4.3
105.04494	1.7
105.07040	83.2
106.07353	1.5
107.05002	1.7
107.08604	6.8
109.02876	1.9
109.06526	76.6
111.04475	1.6
111.08088	13.7
113.96383	4.7
119.04954	2.5
122.07270	2.7
123.04479	1.1
123.08101	7.0
125.09628	1.4
127.07558	1.7
131.97502	1.6
132.95839	1.1
137.06029	8.0
137.09627	100.0
138.09959	2.1
147.59366	1.2
155.06993	4.1
155.10670	15.8
155.87318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	CHEBI:87524
Peak:m/z	Relative Intensity
53.03938	4.8
55.01873	14.4
55.05512	7.2
57.03431	2.4
61.02923	1.1
62.67577	1.0
65.03919	2.0
67.05509	25.5
68.99781	1.2
69.03432	12.5
69.07066	1.4
69.59178	6.7
71.04987	4.0
72.93795	9.3
73.02927	9.5
79.05495	21.7
81.03441	5.3
81.07061	35.1
83.04494	2.2
83.04981	32.9
85.02897	2.0
85.06561	2.3
90.94828	1.5
91.05488	20.0
93.06487	2.1
93.07048	35.9
95.04974	14.8
95.08614	100.0
95.39793	1.0
96.08933	1.4
97.06528	4.8
98.09703	3.8
98.21519	2.4
99.04469	2.4
107.04945	3.4
107.08574	1.7
109.02875	2.4
109.06527	59.3
109.10181	5.5
111.04452	4.3
113.06019	3.1
113.96413	8.9
119.04962	9.4
119.08604	3.9
125.05959	2.2
125.09617	1.8
127.03897	1.1
127.07582	3.0
131.97392	1.4
132.95830	1.7
137.05988	38.8
137.09607	7.8
147.90050	1.4
150.96866	1.3
155.03403	1.7
155.07065	10.7
155.10675	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	155.1068
Annotation	4-Hydroxy-3,5,5-trimethylcyclohex-2-enone
Peak:m/z	Relative Intensity
53.03947	5.4
55.01876	10.1
55.05507	6.3
57.03436	2.0
59.05003	4.0
63.03631	0.8
65.03928	2.2
67.05175	1.4
67.05504	14.5
68.99777	1.7
69.03148	0.8
69.03434	9.1
70.95924	2.7
71.04979	3.8
72.93475	0.8
72.93797	9.7
73.02910	7.4
74.66299	0.8
75.24436	0.8
77.03912	2.1
79.05498	61.0
81.03426	7.1
81.07063	39.6
83.04985	36.2
85.02902	1.2
85.06535	1.8
87.67885	0.8
90.94804	1.2
91.05482	20.5
93.07059	9.6
94.04197	5.8
95.04976	21.2
95.08611	26.9
96.05725	2.5
97.06518	4.9
98.09695	2.9
99.04431	4.0
103.05499	4.2
105.04523	2.0
105.07036	84.7
106.07403	1.0
106.34921	0.9
107.04942	3.3
107.08580	4.7
109.02887	2.1
109.06524	100.0
109.10119	1.3
111.04429	3.4
111.08083	12.5
113.06000	2.3
113.96399	7.5
119.04943	9.4
122.07287	3.3
123.08065	6.4
125.05968	1.6
125.09570	1.9
127.03850	1.0
127.07581	2.4
131.97443	1.8
137.05991	33.6
137.09622	97.6
138.09953	1.6
150.96880	0.9
155.03395	0.9
155.07043	8.2
155.10674	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	155.1432
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
52.40295	0.5
53.03939	1.8
55.01875	4.4
55.05514	8.8
57.03441	0.8
57.07085	4.0
59.05003	3.3
65.03957	0.5
67.05507	11.9
69.03434	4.4
69.07072	12.0
70.06588	0.6
70.58859	0.5
71.04993	3.0
71.08630	0.8
72.93792	20.6
73.02924	2.5
73.06543	0.7
79.05494	12.0
81.03431	2.9
81.07059	100.0
82.07407	1.0
83.04983	10.9
83.08618	1.3
85.02917	0.7
85.06554	1.4
90.94829	4.0
91.05483	5.5
93.07039	1.8
95.04984	6.4
95.08611	47.6
97.06517	1.9
97.10163	2.9
98.09698	14.4
98.98524	0.5
99.04458	1.7
99.08092	1.4
105.07084	0.8
107.04949	1.3
109.02935	0.6
109.06525	18.7
109.10162	4.8
111.04450	2.2
111.08090	0.7
111.11722	2.1
113.06020	2.0
113.96413	17.2
119.04935	3.2
123.04443	1.0
125.05994	0.8
127.03935	1.2
127.07578	1.0
131.96492	0.7
131.97440	5.6
132.95825	0.5
137.02437	0.6
137.05994	7.7
137.09633	3.2
137.13255	10.8
150.96849	0.9
154.98988	0.5
155.03445	1.1
155.07042	6.2
155.08470	1.5
155.10623	2.6
155.14334	2.0
156.13818	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	155.1431
Annotation	trans-p-Menth-8-en-7-ol
Peak:m/z	Relative Intensity
51.67924	2.0
52.99320	1.8
53.03945	7.6
55.01883	14.8
55.05516	17.8
56.64738	2.0
57.03432	2.6
57.07069	8.4
59.04991	4.7
67.05506	24.6
69.03433	12.7
69.07072	44.6
69.45535	12.7
71.05000	42.6
72.93798	36.0
73.02918	8.1
79.05500	22.6
81.03410	7.7
81.07062	100.0
83.04985	34.5
83.08616	5.8
85.02900	3.9
85.06557	10.0
85.90315	1.6
89.75791	1.7
90.94833	6.7
91.05496	16.7
93.07076	5.0
95.04980	31.5
95.08611	52.1
95.09185	3.9
97.06537	7.4
97.10171	5.4
98.09686	18.8
99.04446	6.9
99.08093	7.1
105.04533	2.1
105.07042	5.1
107.04918	3.4
109.02899	5.1
109.06525	65.3
109.10156	11.0
111.04447	6.1
111.08077	7.4
113.05996	3.5
113.96416	26.7
119.04965	13.2
123.04439	5.5
125.06024	3.2
127.03934	10.3
127.07563	3.3
131.97437	9.4
132.95886	1.9
137.05978	30.0
137.06956	2.5
137.09616	11.5
137.13258	31.2
146.85843	1.9
155.03436	6.1
155.07056	18.2
155.08360	2.6
155.10735	3.8
155.14308	29.0
156.13844	7.3
162.25591	1.8
166.70407	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.143
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
55.01866	7.1
55.05515	17.3
56.58152	2.3
57.03421	2.8
57.07056	7.0
57.07330	2.4
59.04984	9.8
65.03963	2.5
67.05495	16.0
69.03421	7.4
69.07074	67.9
71.03115	3.4
71.03447	3.0
71.05000	56.3
71.08640	2.6
72.93769	7.0
73.02927	4.3
79.05489	9.4
80.25990	2.5
81.03415	4.0
81.07060	100.0
83.04993	17.7
83.08637	11.0
85.06547	6.4
91.05466	8.3
95.04972	7.0
95.08611	57.0
97.10168	7.7
98.09694	5.5
99.08081	5.6
102.03625	2.6
105.97827	2.7
107.05017	2.1
109.02901	3.2
109.06530	33.9
109.10178	5.1
111.28394	2.2
113.96396	7.7
119.04961	4.5
127.54529	2.7
131.97426	2.1
137.05989	14.5
137.09627	3.7
137.13257	47.9
149.83052	2.1
155.07054	4.5
155.08923	3.7
155.14308	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
53.03957	2.5
55.01874	7.5
55.05519	6.9
57.03425	1.0
57.07075	2.4
59.05002	3.1
64.38847	0.5
65.03944	1.8
67.05508	15.8
69.03434	7.4
69.06732	1.0
69.07075	13.3
70.39081	0.6
70.39420	1.7
70.95858	0.8
71.04998	4.1
71.08608	0.5
71.14717	0.5
72.93796	18.3
73.02917	4.0
73.06554	1.0
73.27469	0.5
79.05501	14.8
81.03426	3.8
81.07061	100.0
82.07391	0.9
83.04990	16.3
83.08644	1.3
85.02906	1.6
85.06550	1.4
90.94852	4.2
91.05485	8.7
93.03399	0.6
93.07045	3.7
95.04970	9.7
95.08613	33.8
97.06544	12.6
97.10189	0.9
98.09700	14.0
99.04465	2.7
99.08104	2.2
102.36088	0.6
105.07033	1.7
107.04977	1.5
109.02905	1.9
109.06525	32.4
109.10160	13.7
111.04459	2.1
111.08074	1.2
111.11732	2.1
113.06006	2.4
113.96408	16.0
119.04941	5.6
119.08580	1.5
123.04453	1.7
125.06049	1.0
127.03913	0.9
127.07572	2.2
131.97438	5.6
132.95822	1.2
137.05991	14.9
137.09616	10.4
137.10614	1.0
137.13264	7.7
143.94362	0.5
150.96925	0.8
155.03427	1.5
155.07068	7.7
155.08530	1.6
155.10693	3.2
155.14336	1.2
156.13849	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	155.1431
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
53.03944	2.6
55.01874	10.2
55.05513	8.0
57.03426	1.9
57.07074	1.9
58.28062	0.5
59.04995	2.4
65.03936	1.6
67.05503	15.2
67.70528	0.6
68.00650	0.6
68.99788	0.8
69.03428	9.4
69.07066	12.1
69.27872	0.6
69.84027	3.0
70.06597	0.6
71.04995	4.0
71.08622	0.5
72.93787	19.4
73.02920	6.5
73.06570	0.9
79.05489	16.3
81.03399	4.2
81.07055	100.0
82.07376	0.8
83.04981	23.4
83.08617	1.5
85.02914	1.3
85.06533	1.8
90.94829	3.0
91.05480	12.6
93.07063	2.8
95.04971	11.8
95.08607	32.0
97.06529	11.1
97.10190	0.9
98.09698	12.9
98.20781	0.8
99.04439	4.0
99.08119	1.3
105.07029	1.8
107.04952	2.0
109.02902	2.1
109.06518	38.4
109.10155	14.6
109.10843	1.1
111.04440	3.0
111.08076	1.0
111.11745	1.9
113.06017	2.4
113.96397	15.2
119.04929	6.6
119.08561	1.1
123.04435	1.8
123.92542	0.6
125.06004	1.8
127.03934	1.5
127.07553	2.4
127.11197	0.6
131.96490	0.8
131.97423	6.4
132.95776	0.7
137.05980	17.7
137.09624	10.4
137.13263	7.6
137.37936	0.5
149.97212	0.7
154.99054	0.6
155.03438	1.3
155.07053	7.8
155.08458	1.4
155.10641	4.1
155.14302	1.4
156.13866	3.0
162.66795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1432
Annotation	trans-p-Menth-8-en-7-ol
Peak:m/z	Relative Intensity
53.00292	2.2
53.03945	4.6
55.01875	11.5
55.05511	16.9
57.03442	2.7
57.07070	8.1
59.05008	11.6
60.90993	1.5
64.69666	1.9
67.05503	18.3
69.03432	11.7
69.07073	65.9
71.04998	51.7
71.08633	1.9
72.93797	18.0
73.02914	7.3
76.36176	2.3
79.05498	19.3
81.03414	6.5
81.07063	100.0
82.07336	1.9
83.04991	27.5
83.08624	9.0
85.02896	3.2
85.06555	10.1
91.05488	12.4
93.07024	3.1
95.04967	15.2
95.08616	57.4
97.06556	2.9
97.10180	5.7
97.61926	1.7
98.09690	11.4
99.04479	4.3
99.08086	7.8
105.07006	3.3
107.04932	2.0
107.08586	2.1
109.02883	3.1
109.06527	58.1
109.10167	8.8
111.04461	6.2
111.08103	3.3
113.06042	2.0
113.96397	15.3
118.60014	1.7
119.04946	9.4
123.04476	1.6
125.06020	2.6
127.07544	3.6
131.97462	3.0
132.95895	2.4
137.05986	20.9
137.09634	7.9
137.13255	41.3
137.57185	1.9
155.07045	12.6
155.10654	3.3
155.14313	41.2
156.13747	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	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84830	0.2
54.98636	0.4
55.01237	0.2
56.96567	7.7
60.25241	0.2
69.92104	1.0
71.95269	2.2
93.01203	0.2
98.20795	0.2
98.97588	100.0
115.02298	0.9
116.98624	36.5
124.02852	0.7
126.53082	0.2
132.49765	0.3
132.82539	0.2
134.99660	7.7
140.00195	1.7
153.00758	0.3
158.01250	0.9
158.15491	0.2
167.21417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03954	0.8
55.01864	1.0
55.05515	0.8
56.96564	7.2
57.03434	1.5
57.74881	0.5
61.02916	0.7
67.05520	2.4
69.03437	1.1
70.06588	0.9
70.63554	1.6
71.01359	0.8
71.05005	2.5
71.06947	1.2
71.95269	1.1
76.93378	2.1
77.19894	0.5
77.53976	0.6
79.05504	3.0
81.03429	1.5
81.07043	2.9
83.04984	0.7
85.02905	1.2
87.00825	1.1
91.05482	4.7
93.07027	0.8
95.04964	1.5
95.08619	4.4
97.02918	0.6
97.06522	2.7
97.99203	0.8
98.97588	25.5
99.04463	2.0
99.08069	0.9
99.10058	1.0
99.97910	1.3
103.05483	1.6
105.07048	3.2
106.01805	1.1
109.06519	0.7
110.03060	0.6
113.02386	5.3
113.03104	0.9
113.05997	1.4
113.07902	0.8
115.02308	4.8
115.05460	17.2
116.05024	1.0
116.98624	15.2
117.01899	1.4
117.05769	11.3
117.07027	1.4
117.96020	3.0
117.98956	1.2
118.06528	2.9
119.04986	0.7
123.08063	3.2
124.02821	5.5
126.53112	1.8
129.07016	0.8
130.06538	21.7
130.07513	1.1
131.04939	1.8
131.06033	0.7
131.06877	4.7
131.08522	3.4
131.53342	0.6
132.08096	90.4
133.08450	1.1
134.99651	5.0
135.97026	1.7
136.00020	0.7
137.06024	1.0
140.04916	0.7
141.01826	19.3
141.06990	0.9
141.09116	2.0
142.06523	30.0
143.07309	0.9
144.05698	1.1
144.06836	0.6
159.02919	1.0
159.06424	3.3
159.08186	5.4
159.09180	100.0
159.11824	2.2
159.15776	5.7
160.07594	12.3
160.09579	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
57.03428	0.9
59.23198	0.5
67.05500	1.6
69.49416	1.9
69.49845	1.8
72.28046	0.5
79.05483	0.9
81.07047	1.4
85.01022	0.5
87.00822	1.2
91.05486	5.6
98.21633	0.6
103.05448	1.2
104.62040	0.6
105.07040	15.1
105.51247	0.5
108.14022	0.6
113.02361	2.3
115.05478	2.0
116.06215	1.4
117.01844	1.0
117.07031	15.5
117.95939	0.6
119.08585	7.6
123.08138	0.7
128.06226	1.2
129.07022	10.0
130.07791	4.8
131.04942	2.1
131.08578	31.1
141.01837	6.4
142.07759	1.6
143.08574	1.1
144.05705	1.1
144.09363	20.7
152.18645	0.5
157.10146	3.2
159.04362	0.8
159.08133	3.6
159.11708	100.0
159.15761	2.9
160.05165	1.2
160.12044	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	160.052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80727	0.3
68.99799	0.5
69.77891	0.4
70.71844	0.4
70.72163	0.6
73.53116	0.3
78.04701	0.5
82.00508	0.3
90.04707	2.1
91.05492	0.5
102.09833	0.3
103.05479	0.7
104.06254	3.9
105.03391	1.4
114.04672	1.0
115.05437	0.6
116.47355	0.3
118.04138	0.5
131.04933	24.2
132.05722	19.6
142.04108	0.6
153.17590	0.3
160.05203	100.0
161.05502	1.5
163.08369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58707	0.3
64.06285	0.3
78.04708	0.5
90.04720	2.2
91.05498	0.6
100.07645	0.4
103.05460	1.4
104.06282	5.1
105.03400	1.5
114.04681	1.5
114.09164	0.5
115.05424	0.6
117.07071	0.6
118.04123	0.3
129.07114	0.3
131.04938	29.5
132.05750	20.2
142.04179	0.6
145.06424	1.3
145.45946	0.3
160.05203	100.0
161.05663	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89119	0.3
58.39041	0.4
68.61542	0.3
71.52140	0.6
74.85218	0.3
78.00089	0.3
78.04715	0.8
79.05473	0.3
84.26005	0.3
90.04716	2.3
91.05460	0.7
100.07623	0.4
102.04668	0.4
103.05449	1.3
103.06091	0.4
104.05759	0.4
104.06272	4.7
105.03405	2.0
105.07053	1.7
106.07401	0.3
114.04677	1.3
114.09198	0.5
115.05444	1.1
117.07024	0.4
118.04176	0.8
118.06562	1.9
119.08593	0.8
129.08804	0.3
131.04933	26.7
132.05748	20.0
132.08986	0.4
142.04137	1.2
160.05202	100.0
160.12042	1.5
161.05659	1.9
161.09619	0.4
161.13281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
53.10818	0.3
64.25587	0.3
66.04693	0.4
68.99793	0.4
71.10683	0.5
77.86454	0.4
78.04731	0.6
79.05473	0.4
81.07040	0.5
89.03921	0.4
90.04720	2.0
91.05487	0.7
100.23728	0.4
101.61350	0.3
103.05462	1.0
104.06256	4.3
105.03397	1.5
105.07050	3.4
106.07375	0.4
114.04668	1.2
114.09150	0.7
115.05461	0.8
115.85397	0.4
117.07028	0.7
118.04182	0.8
118.07352	0.9
119.08585	1.4
120.08835	0.4
130.07344	1.0
131.04935	23.2
132.05722	20.2
132.08890	1.0
133.06485	0.4
133.10139	0.8
142.04149	0.7
145.09804	1.2
160.05203	100.0
160.12050	6.9
161.05551	1.9
161.13301	1.7
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
56.96572	1.4
58.82771	0.2
60.95855	0.4
69.03479	0.2
69.88042	0.5
69.88435	0.4
71.95255	0.6
82.99329	0.3
82.99843	5.3
85.01369	0.3
87.94813	0.2
91.05458	0.2
98.21461	0.3
98.97585	9.3
99.97917	0.3
100.97183	1.6
100.98013	0.7
101.00880	47.7
101.95033	1.4
101.97211	0.8
102.00939	2.1
102.03371	0.2
102.96862	1.6
103.00655	0.3
103.02454	0.5
107.05273	0.5
111.00438	0.3
111.04457	0.6
113.54149	0.5
115.97056	0.5
116.05801	1.5
116.55760	0.2
116.98625	3.6
117.02014	0.2
118.98209	0.8
119.01920	100.0
119.96071	0.3
120.02001	3.4
120.97891	0.7
121.01607	0.3
121.02396	0.3
122.54677	0.2
124.02458	0.6
124.97620	0.2
125.02541	0.4
127.47833	0.4
128.54692	0.3
129.04735	0.3
134.99664	1.1
136.48367	1.4
137.02956	17.0
138.03020	0.5
138.98885	0.2
140.00200	0.6
142.03500	1.7
143.01881	0.6
143.03590	2.9
144.03252	0.5
145.48886	1.4
146.48732	0.3
147.05032	0.2
154.49426	0.2
160.04562	0.3
161.02956	7.5
161.04395	0.4
179.03998	6.1
179.05592	0.3
180.04207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08313	0.1
55.05512	0.2
56.96563	0.7
58.99854	0.2
60.00661	0.1
60.95135	0.4
60.95841	0.2
67.05500	0.2
70.21694	0.1
71.15410	0.2
71.95262	0.5
78.93147	0.2
80.02986	0.1
82.99842	3.0
83.05007	0.1
83.99951	0.1
85.01404	0.2
89.51157	0.1
93.07075	0.2
98.04741	0.2
98.97588	1.8
100.02494	0.3
100.97194	0.9
100.97999	0.4
101.00886	34.0
101.95036	12.7
101.97195	0.4
101.97752	0.3
102.00948	1.6
102.96864	1.0
103.00605	0.3
103.02479	0.5
105.03346	0.1
105.07035	0.4
107.05277	1.6
107.55353	0.2
111.00443	0.1
111.04467	1.0
113.02396	0.1
115.05417	0.1
116.05775	1.6
116.55901	0.2
116.98621	1.1
117.07003	0.1
118.03539	0.2
118.56123	0.2
119.01926	100.0
119.96082	3.9
119.98898	0.7
120.01997	3.8
120.04163	0.2
120.97877	0.6
121.01638	0.3
121.02392	0.3
121.03444	0.3
124.02455	0.3
125.02583	0.4
126.98901	0.1
127.56581	0.3
129.03906	0.1
129.04716	0.5
129.54826	0.1
133.03485	0.3
134.99632	0.4
137.02960	24.1
137.97098	1.2
137.99864	0.6
138.03026	1.0
138.98926	0.2
142.03497	2.0
142.97682	0.2
143.01865	0.3
143.03641	3.5
144.03247	0.6
147.05005	0.3
156.00894	0.2
160.04567	0.5
160.98717	0.3
161.02969	6.4
161.04654	1.2
161.06021	0.3
161.09653	0.3
162.04262	0.2
178.01605	0.1
179.04013	7.5
180.04060	0.2
184.04518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92936	0.5
53.03941	1.7
55.01879	3.6
55.05499	1.7
56.96569	6.6
57.03430	1.7
58.96167	0.7
59.05004	4.2
60.95565	0.9
60.95856	12.6
65.03922	0.8
65.65328	0.6
67.05503	2.4
68.36333	0.5
69.03427	5.0
69.07071	0.8
70.06596	3.8
71.01336	0.6
71.51318	0.7
72.08172	2.7
73.02907	2.2
74.98443	0.5
75.04468	2.3
77.03929	0.7
79.05495	68.6
80.05832	1.0
81.03393	0.5
81.07059	21.7
82.99447	0.5
83.05001	0.7
84.08111	0.8
85.02911	3.2
91.05485	12.4
93.02862	0.8
93.07039	2.1
95.02511	0.7
95.04970	2.7
95.08624	2.7
96.01446	0.9
97.02899	3.4
97.06551	0.8
97.99197	2.7
98.01240	0.8
98.97585	2.0
99.00851	1.3
100.97179	0.6
101.00871	1.8
101.02367	0.9
101.95042	10.8
101.98483	2.9
102.03366	2.0
102.96873	0.6
103.02255	0.9
103.03926	1.2
103.05499	3.4
104.53628	1.2
105.03415	1.2
105.07037	23.0
107.08597	100.0
108.01458	2.0
108.03370	1.6
108.08932	1.5
109.02237	0.5
109.06532	3.5
111.03893	1.3
113.02385	5.6
113.07130	0.7
113.54152	9.1
114.04301	1.1
115.03917	1.8
115.05472	5.2
116.00249	1.0
116.98630	0.9
117.00708	0.6
117.01964	14.0
117.03902	1.0
117.07020	1.1
118.02744	1.0
118.04202	0.9
118.06596	2.7
119.01913	5.4
119.04955	1.8
119.06065	1.2
119.07342	0.7
119.08582	2.7
119.54158	2.0
119.96098	3.5
119.99556	1.0
120.08117	0.7
120.97980	0.8
122.54668	6.5
123.04897	0.7
125.02379	0.6
125.09636	17.9
125.53819	0.7
126.01617	1.0
126.02480	10.5
126.03311	1.1
126.52612	1.1
128.52747	2.3
128.54662	0.7
133.06494	11.0
133.10129	2.0
135.02977	0.8
137.05986	2.8
137.53285	1.1
137.97104	1.6
138.07892	1.4
138.54057	0.6
143.00122	0.8
143.03381	1.0
143.04961	1.0
143.10672	9.5
144.10168	0.7
146.03624	1.2
146.07275	0.9
161.03149	0.6
161.04507	2.5
161.05978	12.3
161.08176	10.1
161.09651	4.4
161.13319	2.6
162.05533	0.7
162.09134	0.8
162.11266	1.6
164.07059	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03950	1.4
53.95197	0.4
55.05515	4.1
56.86471	0.4
57.85264	0.4
65.03925	0.6
67.05505	12.7
68.06569	0.4
69.06719	0.7
69.07067	6.1
70.27709	0.4
70.59297	1.5
77.11996	0.5
79.05499	13.5
81.07059	19.9
83.08604	0.8
91.05482	47.1
93.07044	16.4
93.07636	0.9
95.04971	1.2
95.08610	8.1
103.05460	0.9
104.06261	0.6
105.07034	71.9
106.07346	0.7
107.08603	4.7
109.44913	0.4
115.05444	1.0
117.07023	6.4
119.08583	100.0
120.09448	0.5
124.16376	0.4
131.08543	2.9
132.09329	2.1
133.10132	62.7
134.10454	0.5
145.10129	1.0
146.10962	1.0
159.11697	2.3
161.05937	1.1
161.13257	98.0
162.13571	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.00311	0.6
53.03963	1.5
55.01897	0.5
63.02385	1.8
79.05505	7.7
81.98013	0.5
89.03924	64.1
90.04271	0.9
92.31892	0.6
93.62904	0.6
95.04955	1.5
98.20802	1.1
103.05475	5.5
105.04507	0.9
107.04967	13.7
107.05642	1.1
117.03388	59.7
118.03699	0.8
130.06572	0.6
131.04942	6.4
135.04428	93.2
136.04718	1.1
145.02863	47.0
145.03934	2.5
163.03917	100.0
163.07515	3.0
164.04283	1.9
174.15668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03947	2.0
63.02402	1.2
69.07060	0.8
69.72148	3.0
79.05493	10.5
89.03918	58.8
90.04234	0.6
91.05473	0.6
93.06998	1.2
95.04987	1.5
103.05470	8.7
105.07022	0.8
107.04961	13.1
107.08611	1.8
112.49342	0.5
113.84150	0.6
117.03382	56.1
121.10129	2.0
131.04939	10.1
135.04417	92.8
135.11671	0.9
136.04765	0.9
145.02856	49.4
145.03897	2.1
145.10036	0.9
163.03905	100.0
163.07530	1.6
163.11224	1.3
163.14848	0.7
164.04210	1.6
164.07068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03950	1.5
55.01857	0.7
58.49841	0.5
61.62706	0.5
63.02369	1.1
69.37967	4.6
72.79523	0.6
77.03954	0.8
79.05493	8.8
81.07084	0.8
82.34935	0.5
89.03922	54.1
91.05504	1.6
93.07038	1.4
95.04977	1.9
103.05468	4.9
105.04520	1.0
107.04963	13.0
107.08606	1.4
117.03381	55.5
117.06981	0.7
118.03706	0.9
118.84902	0.5
131.04927	7.9
132.02295	0.5
133.68198	0.6
135.04420	84.3
135.11761	0.6
136.04741	0.7
145.02855	41.4
145.03899	2.2
145.10124	1.7
147.08089	0.8
148.08812	2.2
163.03906	100.0
163.07559	1.8
163.11177	20.9
163.12521	1.0
164.04254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0756
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02394	1.0
53.03949	1.6
54.30813	0.6
55.01875	0.7
59.27356	0.5
63.02360	1.1
71.30126	0.6
71.30468	0.7
71.31749	0.5
77.03931	1.1
79.05502	6.2
85.02897	0.8
89.03930	35.3
91.05494	3.1
93.07052	1.5
95.04986	2.1
101.09907	0.5
103.05482	71.7
103.50763	0.5
105.04499	0.7
105.07063	0.8
107.04959	9.8
107.08623	2.9
115.05494	1.1
117.03397	33.2
117.07041	4.2
121.06510	0.6
130.06592	1.2
131.04947	100.0
132.05275	1.0
133.02856	0.7
135.04433	54.8
135.08083	3.7
145.02864	27.6
145.03891	1.2
145.06535	1.7
148.05238	0.9
163.03932	64.9
163.07562	57.2
163.11189	1.2
163.12363	1.1
164.04314	1.2
164.07979	0.8
171.84834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
52.61215	0.6
53.03947	1.6
55.05523	0.8
56.66077	0.6
57.07082	1.0
59.39640	0.6
63.02374	1.2
65.77188	0.6
69.50445	3.9
77.03919	1.2
79.05499	7.6
89.03926	40.2
89.06052	0.7
91.05495	2.2
93.07050	1.3
95.04965	1.9
103.05476	71.9
104.05820	1.0
105.07051	1.4
107.04964	9.9
107.08584	3.0
117.03390	41.0
117.07040	1.3
119.08659	0.9
121.06521	0.8
121.10160	1.0
131.04939	100.0
132.05261	1.4
135.04424	59.5
135.08029	1.1
136.04790	0.8
145.02866	31.5
145.03940	1.7
145.10156	0.9
163.03920	71.9
163.07555	53.1
163.11208	5.3
163.14993	0.6
164.04230	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01863	0.8
55.05508	0.6
55.28780	0.3
63.02381	0.5
65.03945	0.5
65.05584	0.3
67.05506	0.6
69.03436	0.7
69.07071	1.1
69.78903	1.2
79.05505	6.7
81.03410	0.5
81.07059	1.1
83.04954	0.3
84.08176	0.3
89.03926	19.3
91.05479	2.5
93.07050	3.7
95.04979	1.5
95.08598	0.5
103.05479	4.5
105.04523	0.5
105.07033	2.0
107.04968	9.6
107.08589	3.4
115.05489	0.7
117.03388	18.6
117.07017	3.2
119.08583	1.1
121.06525	1.7
121.10150	1.3
130.06551	0.4
130.07782	1.1
131.04939	4.6
132.08098	0.3
133.02878	0.4
133.06541	1.6
135.04431	32.8
135.08078	2.4
135.11731	1.0
145.02872	17.0
145.03929	0.8
145.10130	6.6
147.08017	1.6
148.08838	10.8
152.74075	0.3
158.06113	0.3
163.03926	39.2
163.07620	1.9
163.11194	100.0
164.04225	0.7
164.07173	0.4
164.11540	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03938	3.0
55.01870	1.8
55.05507	1.1
55.28804	0.8
56.09399	0.8
63.02365	1.7
67.05492	1.3
69.03419	2.9
69.19561	8.8
69.19901	1.1
71.04986	2.9
77.03912	1.2
79.05499	15.9
81.07056	3.0
89.03924	53.2
91.05483	10.0
93.07046	20.0
95.04950	3.6
95.08609	1.0
100.58694	0.9
101.48367	0.9
103.05474	26.6
105.07034	8.4
107.04959	13.1
107.08603	9.1
116.05129	0.9
117.03386	54.9
117.07018	5.1
119.08593	30.7
121.06488	4.3
121.09338	1.7
121.10155	22.8
128.73003	1.0
130.07770	2.9
131.04938	34.8
133.06506	1.5
135.04422	90.2
135.08026	2.9
135.11681	2.6
136.04781	1.3
145.02855	43.0
145.03915	1.9
145.10123	23.8
148.08849	2.6
155.76118	1.0
163.03915	100.0
163.07536	10.7
163.11189	54.0
163.14854	2.5
164.04288	1.6
164.11523	1.3
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	Unknow
Peak:m/z	Relative Intensity
52.60613	0.3
53.03933	1.3
55.01860	0.4
55.05508	0.7
63.02359	0.6
69.03438	0.5
69.07064	1.4
70.02226	1.5
79.05492	6.2
81.07041	1.2
83.04988	0.4
83.27288	0.3
87.46748	0.3
89.03919	20.8
90.36262	0.3
91.05489	2.6
93.07030	3.2
95.04965	1.3
95.08592	0.5
103.05465	4.8
105.04515	0.5
105.07020	1.4
107.04961	9.0
107.08594	3.2
115.05457	0.5
117.03384	19.6
117.07014	2.8
119.08595	1.0
121.06515	1.5
121.10155	1.6
130.06497	0.6
130.07790	0.8
131.04930	4.7
132.08131	0.6
133.06485	1.6
135.04420	32.1
135.08038	2.4
135.11685	0.9
145.02855	16.8
145.03905	0.7
145.06596	0.4
145.10117	6.6
147.08037	1.8
148.07635	0.6
148.08829	11.0
163.03908	38.5
163.11179	100.0
164.04311	0.5
164.07048	1.0
164.11571	1.3
184.02010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02365	0.7
53.03948	5.4
55.01864	0.8
55.05504	0.5
64.41377	0.3
67.05492	0.4
69.03407	0.9
69.07060	1.0
69.41808	2.0
69.42231	0.7
75.81628	0.3
77.03918	2.5
79.05495	9.4
81.03424	0.7
81.07053	1.8
89.03418	0.6
89.03922	8.6
91.05480	2.5
92.02625	2.5
93.07056	4.0
95.04980	5.7
95.08598	0.9
101.11045	0.4
103.05472	33.7
105.03407	2.6
105.04515	3.0
105.07044	2.1
107.04971	5.5
107.08598	4.9
117.02523	0.5
117.03385	8.8
117.07004	2.4
119.08585	0.8
120.02108	0.3
121.06502	1.4
121.10137	1.5
130.07785	0.6
131.04938	44.0
132.05310	0.5
132.08086	0.5
133.01846	0.7
133.02866	16.8
133.06450	1.7
135.04422	29.1
135.08037	2.8
135.11688	1.4
136.04684	0.4
138.76746	0.4
143.08578	0.4
145.02867	6.2
145.03943	0.4
145.10123	4.7
147.08076	2.3
148.08838	9.7
157.76401	0.3
163.03914	88.1
163.07550	15.8
163.11182	100.0
163.14764	2.2
164.04254	1.1
164.07106	0.9
164.11523	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17844	0.6
71.01755	1.1
82.01464	0.8
82.99857	11.8
83.43031	0.6
100.02486	1.6
101.00892	77.6
102.01001	1.8
111.00438	0.9
119.01933	96.5
120.02030	1.7
124.02467	16.4
129.95468	0.6
137.02960	10.4
142.03513	100.0
143.03604	1.6
160.03357	1.2
160.04576	14.2
165.05113	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.4
59.25244	0.6
70.99844	0.8
71.10747	1.1
71.11134	0.6
80.39610	0.6
81.07042	0.7
82.01427	1.3
82.99847	12.6
83.01515	1.3
89.82444	0.6
91.05484	1.9
97.19669	0.6
98.97600	1.0
100.02469	1.2
101.00890	74.4
102.01038	1.1
109.06556	1.1
111.00428	1.1
116.98701	0.8
119.01930	89.4
119.04954	2.2
120.02066	1.4
121.02378	0.7
123.04408	0.9
123.49535	0.6
124.02455	18.5
137.02966	9.7
137.05975	1.1
142.03508	100.0
143.03610	2.7
147.04436	1.5
160.03366	1.1
160.04584	15.1
165.05380	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
52.88794	0.2
65.03947	1.0
70.05753	1.1
70.06149	0.6
71.58600	0.3
79.05534	0.3
81.07051	0.4
91.05484	18.5
95.04963	1.0
105.06995	0.5
107.08621	0.4
109.10223	0.3
111.28876	0.3
119.04946	38.9
120.05310	0.5
123.04453	1.3
129.08487	0.3
137.06003	0.4
141.96623	0.3
147.04413	100.0
147.11681	0.5
148.04738	1.4
152.41449	0.3
165.05528	2.6
165.09119	0.4
165.12737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
50.15951	0.6
50.18246	0.6
53.03949	1.3
55.01876	4.5
57.03428	0.7
62.28245	0.6
65.03950	4.1
67.05497	2.2
68.99776	1.8
69.03420	1.5
70.26023	1.9
77.03918	0.7
79.05502	7.3
81.06591	1.3
81.07061	23.0
82.99837	1.4
91.05488	31.0
91.94102	0.7
93.07043	2.1
94.04191	1.6
95.04980	8.8
98.21439	0.8
101.00896	9.7
103.05482	0.8
105.03352	0.7
105.07037	2.8
107.04943	2.8
107.37466	0.6
109.02953	0.8
109.06523	22.0
119.01938	15.4
119.04951	39.3
119.08604	2.2
120.08105	2.4
121.06507	1.0
123.03581	1.3
123.04440	18.2
123.08018	1.0
124.02473	2.0
133.02794	0.6
133.06549	1.5
137.02960	2.3
137.05991	40.3
137.09543	0.7
142.02435	1.1
142.03511	14.9
147.04420	52.0
148.04855	0.7
160.04604	2.3
165.05487	100.0
165.09145	2.4
166.05815	1.0
168.54604	0.7
175.18379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
50.38912	0.5
53.03946	1.2
55.01873	1.5
55.05508	3.0
57.03442	2.0
57.07078	2.0
57.56282	0.6
59.05025	0.8
65.03944	0.8
66.67685	0.6
67.05510	6.9
69.03439	1.7
69.07076	3.2
71.08630	0.6
71.53051	0.6
72.57096	0.6
79.05502	7.2
81.07058	14.8
81.22948	0.6
83.04967	1.3
83.08614	1.6
87.93923	0.6
91.05487	11.4
93.07047	10.3
95.04964	5.2
95.08612	11.3
95.67914	0.6
97.06557	0.8
101.00918	0.6
102.07695	0.6
103.05505	0.7
105.07036	13.1
107.04953	2.4
107.08593	11.3
109.06517	16.4
109.10165	7.4
110.07356	0.6
114.34347	0.6
119.04939	12.4
119.08586	16.9
121.06490	1.4
121.10146	19.3
122.03632	0.9
122.07299	6.1
123.08083	9.9
123.11690	4.1
127.07599	1.0
133.02840	3.8
133.06497	2.8
135.08055	1.1
137.04980	1.2
137.05998	4.1
137.09621	100.0
138.09959	1.3
147.04413	28.3
147.07996	0.7
147.11691	10.6
148.02229	1.0
150.10353	3.5
165.05537	9.1
165.07060	1.0
165.07555	1.2
165.09064	3.1
165.12759	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
55.28540	0.2
70.90585	0.3
73.83460	0.2
79.05499	0.9
91.05487	0.6
93.07061	2.2
95.05010	0.3
103.05473	7.8
105.04517	0.2
107.04971	2.0
120.08116	100.0
121.08466	1.1
131.04953	2.1
149.06007	0.9
163.51024	0.2
166.08675	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	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03928	0.1
60.33359	0.1
67.05495	0.3
69.07063	0.1
70.68385	0.3
77.03925	0.2
78.04691	0.2
79.05487	1.3
81.07029	0.3
83.54929	0.1
83.93035	0.1
91.05472	0.6
92.05830	0.2
93.07049	2.4
95.04990	0.3
95.08604	0.2
103.05470	8.8
105.07043	0.3
107.04966	2.1
107.08607	0.1
118.06526	0.2
120.08107	100.0
121.06538	0.3
121.08408	0.8
121.10174	0.3
122.27264	0.2
123.04433	0.5
124.05196	0.2
131.04933	2.3
138.05489	0.2
138.99690	0.1
139.07571	0.8
142.96732	0.4
148.04778	0.6
149.05988	0.9
151.03961	0.1
166.05008	0.6
166.07225	0.2
166.08621	3.3
167.07034	2.2
167.08447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	MTHPA
Peak:m/z	Relative Intensity
53.03944	2.6
54.45151	0.3
55.01865	1.4
58.02538	0.3
63.42495	0.3
65.03947	0.4
67.05499	1.5
68.99796	0.4
69.03419	0.7
69.07080	0.4
71.24538	0.7
73.98426	0.3
76.14420	0.3
77.03937	0.9
78.04707	1.5
79.05501	12.1
81.03428	0.6
81.07055	3.2
83.04971	0.4
91.05489	10.2
93.07054	16.2
95.04989	2.8
95.08601	0.6
97.06514	0.9
103.05473	1.3
105.04517	1.0
106.04173	0.9
107.04951	1.5
107.08592	0.7
109.06526	0.8
121.02850	2.0
121.06519	11.0
121.07394	0.6
121.10152	0.8
123.04451	3.8
123.08076	0.9
124.05223	1.3
125.05959	0.4
139.07581	1.7
149.05995	12.3
151.03886	0.6
152.04745	0.7
167.07054	100.0
168.07384	1.3
181.62817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	2,4-Dihydroxy-3,6-dimethylbenzaldehyde
Peak:m/z	Relative Intensity
53.03951	3.0
55.01865	1.3
55.05506	0.5
56.74779	0.3
67.05494	1.4
68.99780	0.5
69.03434	0.5
69.43509	1.9
71.04971	0.4
77.03913	1.4
78.04716	1.6
79.05498	12.6
81.03405	0.6
81.07056	3.5
83.04964	0.4
91.05483	10.2
93.07048	16.3
93.07641	0.8
95.04976	3.1
95.08586	0.6
97.06533	1.3
103.05451	1.1
105.04526	0.9
105.07047	0.7
106.04216	0.5
107.04967	1.7
107.08596	1.0
109.06552	0.5
111.04472	0.5
121.02918	2.2
121.06512	11.8
121.10102	0.8
123.04443	4.3
123.08066	0.5
124.05221	1.2
134.03685	0.4
137.06056	0.4
139.07532	2.1
149.05992	13.0
149.09618	0.6
151.03847	0.6
152.04683	1.3
165.35332	0.4
167.07047	100.0
168.07399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	L-(-)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
51.02375	1.3
52.68256	0.8
52.77653	0.8
53.03944	6.6
55.01873	5.3
55.05508	1.8
59.35250	0.8
67.05509	8.4
68.99796	6.7
69.03439	1.1
69.07053	1.4
69.43182	2.5
69.43597	3.0
77.03908	2.6
78.04717	9.5
79.05495	23.0
81.03410	3.0
81.07053	13.1
85.06539	1.3
91.04906	1.2
91.05484	22.1
93.07049	77.3
94.07361	0.9
95.04977	10.3
95.08601	9.1
97.06546	9.3
103.05473	11.2
105.03393	1.3
105.04495	2.6
105.07052	7.6
106.04189	4.2
107.04961	3.8
107.08581	2.9
109.02884	1.0
109.06500	2.4
109.10172	1.0
111.04488	1.0
111.08059	6.7
119.08627	1.6
121.06512	61.8
121.10138	13.4
122.03597	1.2
123.04431	18.6
123.08100	2.0
123.11697	1.8
124.05226	4.9
125.06008	1.9
131.04953	1.4
131.08588	1.2
134.03728	1.0
139.07547	14.0
139.11156	1.9
149.06013	20.1
149.09621	2.1
151.03918	3.5
152.04672	3.8
167.07047	100.0
167.10706	3.2
176.30417	0.9
182.66866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.31366	0.3
53.03943	2.1
55.01858	1.3
55.05494	0.9
55.06434	0.4
55.84816	0.3
65.03934	0.9
66.04685	0.4
67.05508	6.3
67.18380	0.3
68.99780	0.5
69.03429	0.7
70.28316	0.5
70.28727	0.9
71.02551	0.3
76.63674	0.4
77.03920	0.9
78.04281	0.5
78.04711	6.4
79.05494	12.0
81.03389	0.7
81.07059	4.1
83.04967	0.6
91.05479	7.9
93.03341	0.7
93.07045	16.5
93.07645	0.8
94.04195	0.5
95.04971	5.1
95.08606	2.3
96.05748	0.6
97.06519	1.0
98.21384	0.4
103.00638	0.4
103.05470	2.1
105.03388	0.7
105.04517	0.7
105.07032	1.1
106.04182	3.6
107.04959	2.2
107.08578	2.3
108.05734	0.6
109.02861	0.9
109.06545	1.6
111.04463	0.6
111.08056	1.1
121.01654	0.8
121.02852	1.5
121.06507	9.9
121.10159	1.7
122.03652	0.7
123.04430	11.7
123.08073	1.0
124.05231	5.3
125.06024	0.6
125.09615	0.5
134.03625	0.9
135.04398	0.6
137.05975	0.9
137.09680	0.4
139.07536	6.1
144.03300	0.6
149.02373	2.9
149.05984	6.7
149.09644	0.9
151.03877	2.3
152.04697	2.6
160.55528	0.3
167.07036	100.0
168.07382	1.1
175.25055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	L-(-)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
51.02398	0.5
53.03952	7.0
55.01876	5.6
55.05514	5.4
56.36965	0.6
57.03439	1.3
59.04995	0.6
63.77450	0.5
65.03939	1.2
66.01427	0.5
67.05511	13.2
68.99801	5.8
69.03433	1.4
69.07069	2.1
69.41401	4.2
71.04996	1.3
77.03949	2.4
78.04719	3.5
79.05500	32.2
81.03410	2.4
81.07060	14.9
83.04995	4.1
83.08613	1.1
85.06568	1.3
91.05489	31.2
93.03426	0.7
93.07052	100.0
95.04980	10.2
95.08615	7.9
97.06541	11.2
103.05475	14.2
103.06160	1.0
105.03400	0.7
105.04529	3.4
105.07044	12.0
106.04169	1.8
107.04970	3.9
107.08601	11.6
109.06537	2.0
109.10179	1.5
110.97038	0.5
111.08084	7.3
116.06277	0.6
119.08587	0.6
121.06514	73.6
121.10139	8.2
122.06875	1.2
123.04433	6.0
123.08068	2.3
123.11697	1.2
124.05160	1.0
125.06069	2.5
125.09644	1.0
131.04936	1.4
131.08575	5.3
137.09612	2.0
139.07545	14.8
149.06000	22.4
149.09622	12.0
149.13280	0.9
151.03946	1.4
152.04689	1.0
167.07057	41.4
167.10704	7.3
167.14366	2.0
168.07394	0.8
169.48184	0.5
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
53.03959	6.2
55.01878	6.2
55.05515	6.8
57.03434	2.5
59.04993	1.2
63.38457	0.7
65.03925	1.7
67.05186	1.3
67.05509	17.8
68.99785	3.3
69.03426	6.4
69.07079	7.9
71.05006	1.7
71.09494	1.0
72.08160	1.6
77.03931	2.6
78.04710	3.5
79.05501	36.2
80.05836	0.8
81.03404	2.5
81.07060	45.3
83.05008	2.4
85.06527	2.5
89.09436	0.8
91.05488	35.3
93.07048	100.0
95.04974	11.7
95.08611	14.2
97.02893	3.6
97.06537	10.0
103.05470	8.7
105.03432	1.0
105.04517	2.6
105.07037	15.8
106.04173	1.8
107.04983	6.1
107.08601	36.0
109.02859	1.2
109.06523	22.0
109.10172	6.8
111.04435	1.8
111.08092	5.2
116.06221	2.2
119.08575	5.9
121.05804	1.5
121.06512	47.9
121.10152	50.2
122.07307	4.3
123.04443	8.7
123.08072	5.3
123.11700	4.2
124.05212	2.6
125.06028	5.5
125.09624	1.5
131.08585	8.4
137.09630	31.9
139.07559	9.5
139.11201	3.4
147.09198	1.9
149.02335	1.2
149.05003	1.8
149.06032	13.0
149.09628	17.3
151.03920	1.4
152.04703	2.6
167.07050	46.2
167.10701	20.1
187.41272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03944	3.8
55.01863	2.3
55.05514	3.7
56.84730	0.6
57.03437	1.5
57.07089	1.4
59.05003	5.1
67.05516	9.1
69.03427	2.3
69.07065	2.9
71.05002	0.8
71.52276	0.8
73.02922	3.3
75.04479	1.0
76.03529	0.6
77.03929	1.0
78.04710	5.3
79.05496	23.5
81.03420	0.9
81.07058	32.1
83.04971	1.8
83.08645	1.4
85.06556	1.2
86.85915	0.7
91.05479	10.2
93.07047	44.2
94.07311	0.6
95.04961	4.9
95.08614	19.7
96.05752	1.4
97.02905	1.4
97.06528	5.2
103.05457	2.2
105.03391	2.2
105.04542	1.7
105.07036	14.7
106.04166	2.4
107.04955	5.6
107.07468	0.8
107.08602	11.2
108.05746	1.3
109.02874	1.3
109.06517	4.0
109.10162	2.5
111.04469	1.6
111.08086	7.2
119.08588	2.9
121.02869	0.7
121.06518	5.6
121.10149	100.0
122.03609	0.7
122.10521	1.3
123.04430	10.7
123.08073	10.5
123.11707	15.6
124.05223	5.9
125.05994	8.4
125.09598	0.9
129.07069	0.7
131.08553	6.1
132.15491	0.8
133.07607	2.4
134.03644	0.9
137.05927	0.9
139.07562	15.9
139.11180	14.2
149.02452	0.7
149.05974	1.4
149.09627	25.3
149.13304	2.0
150.09097	4.1
151.03929	2.3
152.04654	3.1
167.07047	56.0
167.10684	24.1
167.14328	1.8
168.10237	1.1
183.99808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.01606	0.5
50.42744	0.5
53.03952	2.9
53.98255	0.5
55.01865	1.7
55.05516	6.2
56.96566	3.3
57.03424	1.8
57.07068	1.0
59.04997	0.7
65.03944	1.2
66.41232	0.5
67.05505	10.8
69.03429	1.0
69.07075	5.8
71.04982	1.0
71.13277	0.7
71.13593	0.6
71.82463	0.5
75.04477	6.2
75.96824	0.5
77.03951	0.7
78.04707	2.3
79.05497	16.8
81.03425	0.7
81.07060	17.5
82.87722	0.6
83.04967	2.0
83.08617	5.7
84.96024	1.0
85.06541	0.8
89.05804	0.5
91.05485	15.1
93.03389	0.7
93.07047	100.0
94.07375	0.8
95.04976	5.8
95.08614	9.0
96.05717	0.7
97.02911	1.0
97.06538	3.9
97.10144	0.8
103.05475	2.7
105.04503	1.5
105.07033	8.5
106.04173	0.7
106.07804	0.5
107.04957	3.9
107.08602	7.2
108.05715	2.0
109.02885	0.8
109.06527	3.3
109.10172	1.4
111.04467	0.8
111.08092	16.7
119.08585	1.8
121.01665	0.6
121.02866	1.6
121.06584	4.2
121.10148	74.7
122.10500	0.8
123.04440	4.6
123.08062	2.1
123.11723	3.3
124.05219	6.4
125.05989	3.7
125.09602	1.0
130.06483	0.8
131.08560	3.6
133.07629	1.0
136.06441	0.6
139.07553	16.0
139.11205	5.1
141.57120	0.6
144.03229	1.2
149.02330	1.2
149.06018	2.5
149.09616	12.4
149.13251	4.7
151.03912	0.6
152.04663	1.0
167.03343	1.7
167.07059	24.3
167.08475	1.6
167.10686	11.2
167.14314	4.1
167.15492	1.4
185.04869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03950	3.6
55.01865	1.1
55.05513	1.5
57.03436	1.8
65.03953	0.8
67.05512	2.8
69.03433	1.1
69.07088	0.8
71.24938	1.0
75.04486	3.7
77.03949	0.8
78.04711	1.2
79.05504	11.2
81.03430	1.5
81.07060	7.7
82.92065	0.5
83.04985	1.1
91.05484	6.9
92.02635	1.0
93.07052	64.9
94.04205	2.9
94.07384	0.9
95.04977	5.1
95.08618	3.9
96.05757	6.0
97.06553	1.5
103.05505	0.5
103.76683	0.5
104.33550	0.4
105.03382	0.6
105.04546	1.2
105.07046	5.4
107.04969	1.8
107.08616	2.7
108.05747	12.8
109.02884	2.2
109.06524	5.7
111.04511	0.5
111.08090	10.9
119.08584	1.0
121.06554	1.5
121.10153	50.2
122.10506	0.5
123.04453	1.1
123.08051	0.8
123.11752	1.4
124.05219	33.2
125.06011	5.3
131.08597	2.4
133.07608	0.9
135.05557	0.9
139.07550	100.0
139.11127	2.5
140.07860	0.8
144.03313	0.6
149.06026	0.9
149.09627	7.2
152.32396	0.5
167.03412	0.7
167.07062	17.3
167.10689	8.0
167.15454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02362	0.6
53.03951	3.7
55.05519	3.9
57.03439	2.2
57.07092	1.0
59.05012	1.3
65.03928	1.0
65.70912	0.6
67.05508	6.1
69.03425	1.5
69.07084	2.9
69.41152	3.9
71.54025	0.5
72.63783	0.6
75.04506	3.8
77.03938	1.2
78.04726	4.3
79.05501	18.6
81.07064	20.6
81.07536	1.1
83.04984	1.6
84.59640	0.5
91.05495	12.1
93.03407	0.7
93.07054	80.2
94.07365	0.8
95.05000	4.5
95.08615	9.9
97.02907	2.6
97.06544	4.4
99.82030	0.6
103.05500	2.4
105.04514	1.3
105.07041	15.2
105.07700	1.2
106.04215	1.3
106.07803	1.3
107.04964	4.6
107.08603	5.7
109.06532	3.3
109.10174	1.8
111.04469	2.6
111.08095	15.4
119.08591	3.0
121.02889	0.7
121.06513	4.9
121.10155	100.0
122.10511	1.1
123.04446	6.5
123.08065	3.0
123.11708	9.9
124.05215	2.5
125.06033	3.7
131.08591	5.0
133.07643	2.7
139.07553	3.4
139.11192	14.5
149.02385	1.2
149.06018	1.3
149.09630	15.8
149.10768	1.1
151.03894	0.9
152.04706	2.5
167.07069	36.5
167.10692	14.3
168.04182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03951	8.6
55.01862	5.4
55.05516	55.5
57.03440	2.0
57.07063	1.9
59.05016	6.1
61.40980	1.3
65.03938	1.7
67.05508	26.6
69.03436	22.1
69.07074	6.8
70.87265	3.0
71.04998	2.0
75.10835	1.1
77.03918	2.1
78.04713	7.5
79.05497	38.2
81.07061	31.7
83.04986	50.7
83.08621	24.6
85.06555	4.4
89.29035	1.2
91.04900	2.1
91.05489	37.3
93.07048	100.0
95.04964	12.3
95.08620	15.4
97.06536	5.9
97.10182	6.2
99.08052	2.2
103.05475	8.2
105.03387	1.6
105.04514	2.2
105.07040	20.8
106.04175	4.2
107.04968	8.0
107.08598	65.3
108.05673	1.8
109.06524	35.6
109.10153	19.9
111.04437	1.7
111.08089	20.4
112.08871	3.4
113.09627	2.8
116.06240	3.0
119.08575	6.4
121.06509	35.0
121.10149	47.2
122.07321	6.6
123.04437	15.4
123.08042	6.1
123.11696	5.2
124.05195	5.6
125.06013	2.1
125.09636	11.9
129.07025	2.8
131.08585	12.1
132.50543	1.6
135.62177	1.2
137.09627	52.4
139.07565	13.7
139.11043	1.8
147.09183	1.4
149.05994	9.0
149.09621	17.2
149.13274	3.2
151.03886	2.2
152.04688	2.4
167.03490	1.8
167.07059	61.0
167.10681	18.3
167.14330	33.2
168.07439	1.3
188.50787	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03949	6.0
54.71876	0.5
55.01870	2.6
55.05514	8.3
56.17809	0.6
57.03432	0.7
57.07073	1.3
59.05000	2.6
65.03943	1.3
67.05505	20.7
69.03432	2.7
69.07071	25.7
71.03019	0.6
71.03355	0.7
71.04976	1.0
73.02902	0.6
77.03935	2.2
78.04718	2.8
79.05495	33.8
81.03434	1.4
81.07059	27.6
83.04993	4.4
83.08628	2.4
85.06548	2.2
89.08839	0.5
91.04907	1.2
91.05485	23.4
93.07046	100.0
94.07374	1.1
95.04974	11.2
95.08611	15.9
97.02898	0.7
97.06538	7.5
97.10197	0.9
103.05472	8.5
105.03405	1.4
105.04517	1.9
105.07033	16.4
106.04184	1.4
107.04939	3.7
107.08602	4.3
109.06521	8.0
109.10166	1.8
111.04443	1.5
111.08094	6.6
111.11707	5.0
117.03207	0.7
119.08563	3.6
121.06516	21.8
121.10147	74.8
122.10481	0.9
123.04426	6.5
123.08057	6.2
123.11710	1.7
124.05208	2.8
125.06019	3.1
125.09618	1.1
131.04948	1.4
131.08614	1.3
133.07625	2.1
139.07555	8.7
139.11150	3.4
149.02390	0.8
149.04956	1.1
149.06009	9.3
149.09622	12.6
149.13309	0.8
151.03938	1.0
152.04692	1.1
167.03368	0.8
167.07047	31.6
167.10677	30.7
167.14325	2.5
189.12009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(-)-Isochaminic acid
Peak:m/z	Relative Intensity
50.05441	1.1
53.03947	2.8
55.01871	1.8
55.05505	6.6
57.03435	2.4
59.01889	1.1
59.04985	1.3
65.03961	1.1
67.05511	18.7
69.03425	2.5
69.07069	5.1
71.04994	1.8
71.51515	1.2
77.03910	1.1
78.04723	7.9
79.05508	24.0
81.03459	0.8
81.07065	16.2
83.04991	5.0
83.08607	1.7
85.06556	1.5
91.05492	17.7
93.07054	49.7
95.04971	6.5
95.08615	32.5
96.05772	0.8
96.08974	0.9
97.06552	4.7
101.44189	0.9
103.05485	4.7
105.07041	12.6
106.04197	4.7
107.04968	6.1
107.08606	19.0
109.02814	1.2
109.06531	7.7
109.10160	4.0
111.08099	2.5
116.06230	1.6
118.82777	0.9
119.08606	3.7
121.06529	7.3
121.10156	44.4
123.04454	13.4
123.08080	100.0
123.11703	3.8
124.05266	4.7
125.06016	1.5
125.09631	6.7
129.07037	1.0
131.08569	11.3
133.07596	1.3
134.03650	1.0
137.05942	0.8
137.09599	0.8
139.07565	6.3
139.11192	6.8
148.25533	0.8
149.02296	0.9
149.06007	3.0
149.09639	35.2
149.13290	1.8
151.03931	3.5
152.04701	5.1
167.03439	1.7
167.07060	66.4
167.10696	61.7
167.14349	3.6
168.07504	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03937	4.2
55.01863	2.6
55.05516	100.0
57.03435	4.1
57.07063	3.0
59.05009	10.1
67.05183	1.9
67.05510	27.1
67.23421	1.2
69.03438	20.7
69.07082	12.1
69.52464	7.9
71.04995	3.5
73.06561	2.1
78.04710	3.0
79.05492	17.4
81.07056	21.6
83.04989	76.0
83.08624	45.9
83.09129	2.3
85.06546	9.5
91.05492	9.6
93.06485	2.5
93.07049	33.5
95.04955	5.9
95.08611	18.5
97.06528	7.2
97.10169	13.0
99.08104	1.8
103.05474	2.7
105.07017	4.1
106.04144	1.9
107.04893	2.4
107.08602	14.9
109.06519	3.3
109.10166	28.2
111.08094	28.7
112.08874	9.6
113.09643	4.0
115.85854	1.2
117.19143	1.4
121.06527	8.3
121.10145	27.5
123.04414	6.6
123.08111	2.7
123.11712	12.7
124.05223	2.0
125.05951	2.0
125.09653	12.3
131.08519	2.9
139.07510	2.1
139.11229	3.0
145.56880	1.5
149.05992	4.2
149.09637	4.1
149.13243	9.8
152.04723	2.7
167.07045	28.2
167.10710	5.4
167.14333	56.9
177.95125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03942	3.8
53.47248	0.5
55.01868	1.4
55.05514	43.3
57.03442	4.7
57.07086	3.2
58.38902	0.5
59.05010	4.7
62.79672	0.7
65.03923	1.1
66.04720	0.7
67.05507	15.8
68.65649	0.5
68.99758	0.5
69.03429	11.7
69.07074	15.9
69.12859	0.6
71.04994	2.9
71.48401	0.9
77.03921	1.6
78.04715	10.8
79.05495	22.0
81.03424	1.0
81.07058	50.4
82.07384	0.8
83.04985	36.8
83.08620	21.6
83.08982	0.3
83.09126	0.7
85.06543	6.4
91.05483	10.4
92.05822	0.5
93.03414	1.1
93.07047	37.7
94.04183	0.6
95.04971	5.5
95.08611	15.2
96.05746	0.7
97.06537	6.5
97.10167	7.2
99.08078	2.0
103.05470	2.2
105.03398	0.9
105.04511	1.0
105.07040	7.1
106.04169	6.4
107.04954	3.8
107.08594	10.8
109.02859	1.5
109.06532	3.2
109.10156	11.8
111.04469	0.7
111.08082	15.1
111.11707	1.7
112.08888	3.1
113.09634	1.6
119.04926	1.4
119.08588	1.5
121.05635	1.0
121.06504	5.9
121.10146	42.5
122.03652	0.7
123.04436	20.3
123.08071	2.4
123.11709	9.0
124.05212	7.9
125.06000	5.5
125.09624	7.8
131.08592	1.3
133.07600	0.6
134.03635	1.0
135.42921	0.5
137.05936	0.9
137.09618	0.8
138.03203	0.5
139.07581	4.8
139.11189	4.5
147.04420	1.3
149.02333	0.8
149.04945	3.0
149.05991	2.2
149.09619	7.7
149.13263	4.9
151.03938	3.6
151.04932	0.6
152.04701	5.8
167.07043	100.0
167.10681	21.2
167.14319	24.6
168.07375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
50.57790	1.3
51.02356	1.2
51.27129	1.0
52.41635	1.1
53.03950	6.7
55.01876	5.3
55.05516	56.3
57.03432	2.4
57.07077	3.1
58.66177	1.0
59.05000	6.5
65.03938	2.9
67.05179	1.6
67.05511	22.4
69.03093	1.7
69.03433	26.6
69.07076	8.2
70.63560	3.0
70.63915	1.3
71.04984	2.7
72.35088	1.3
77.03935	2.4
78.04697	4.2
79.05496	35.4
79.64521	1.1
81.06599	2.3
81.07059	35.0
83.04987	67.2
83.08156	2.1
83.08624	29.0
85.06556	7.6
91.04913	2.0
91.05485	39.4
93.07048	100.0
95.04977	7.8
95.08626	10.5
97.02895	3.2
97.06548	5.6
97.10154	10.9
98.50374	1.1
99.08098	1.6
103.05481	8.0
105.04527	2.1
105.07036	27.4
106.04178	2.4
106.07837	2.0
107.04959	6.8
107.08603	88.2
109.06520	39.9
109.10166	26.4
111.04435	2.8
111.08081	24.6
112.08861	5.5
113.09637	3.1
116.06236	5.6
117.07039	1.1
119.06015	1.6
119.08592	10.0
119.53029	1.3
121.06507	26.7
121.10150	65.1
122.07312	11.8
123.04408	8.6
123.08054	6.0
123.11698	7.6
124.05188	3.2
125.09636	11.3
126.20908	1.2
126.40778	1.1
129.07025	3.5
131.08586	16.6
133.07593	2.7
137.09625	75.5
138.09941	1.5
139.07562	6.1
139.11157	1.0
141.48947	1.2
147.09196	3.2
149.05972	4.8
149.09619	27.6
149.13254	3.8
152.04706	1.8
167.07051	32.8
167.10693	23.8
167.14325	42.3
168.28987	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.9
55.01878	1.1
55.05518	4.7
57.03428	1.9
57.07064	1.6
59.04989	0.6
65.03936	1.5
67.05511	16.2
69.03430	1.3
69.07077	6.4
69.23615	4.8
69.23943	0.7
71.04987	2.6
73.06534	0.6
75.04486	0.9
77.03938	0.8
78.04275	0.8
78.04715	11.6
79.05498	18.4
81.03416	1.7
81.06593	1.1
81.07063	16.9
83.04984	2.9
83.08618	3.6
85.02895	0.6
85.06535	1.5
91.04971	0.9
91.05486	10.2
93.03429	1.0
93.07050	37.7
94.04187	0.6
95.04987	7.5
95.08615	12.6
95.55222	0.5
96.05750	1.3
97.06553	5.6
97.10181	0.8
103.05476	2.5
105.03396	1.2
105.04512	1.2
105.07035	5.3
106.04182	6.2
106.81815	0.5
107.04967	7.3
107.08602	47.5
108.05736	1.8
108.79786	0.5
109.02877	1.7
109.06542	4.9
109.10164	26.3
110.03659	0.6
111.04459	1.6
111.08089	8.6
119.06084	0.8
119.08586	1.1
121.01633	0.5
121.02856	1.6
121.06522	6.7
121.10154	34.4
122.03658	1.4
123.04440	23.0
123.05346	1.1
123.08071	2.0
123.11707	4.6
124.05230	10.1
125.05989	2.2
125.09653	1.6
131.08604	1.4
134.03656	1.4
135.04439	1.5
137.02280	0.5
137.05981	1.3
139.03943	0.8
139.07556	14.9
139.11237	1.2
149.02357	1.5
149.05983	2.4
149.09653	3.8
149.13268	13.1
150.03111	0.6
151.02824	0.7
151.03889	4.0
152.04712	7.2
152.06056	0.8
167.03410	2.3
167.07054	100.0
167.10652	4.3
167.14265	5.9
168.04158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05273	4.2
55.05519	59.7
55.56671	2.6
57.07075	8.7
57.65940	2.2
57.74596	2.4
69.07075	100.0
71.08625	10.0
71.53412	3.4
79.05519	3.0
83.08620	35.8
85.10191	4.3
93.07043	4.2
96.41109	2.8
97.10172	36.1
98.59231	2.4
111.11728	14.6
125.08260	26.5
139.07545	8.3
149.02396	4.5
149.06042	4.5
167.07057	6.3
167.09270	3.6
167.11818	4.3
167.15393	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	169.0496
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
55.01896	0.6
68.99800	2.0
69.85474	1.7
76.11129	0.5
89.67570	0.5
97.02900	0.7
98.03666	2.4
98.21431	0.7
99.04472	0.5
109.02887	0.7
111.00807	17.4
122.64816	0.4
125.02360	0.5
125.54646	0.5
126.03139	24.9
141.05469	100.0
142.05833	1.1
169.04967	58.9
170.05235	0.6
176.94922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03959	0.5
54.19437	0.3
54.50648	0.5
55.01883	0.5
55.05524	0.7
67.92281	0.3
68.99794	2.5
69.88884	1.3
70.80414	0.4
76.44675	0.4
76.95824	0.3
97.02907	0.7
98.03698	2.6
109.02889	0.8
111.00813	22.7
113.06057	0.5
126.03145	31.3
141.05473	100.0
142.05821	1.1
149.96973	0.3
169.04974	52.9
170.05327	0.6
182.94099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0861
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03938	2.1
55.01871	1.5
55.05508	2.3
56.19258	0.5
57.03425	0.6
57.07078	0.6
59.04989	0.7
62.05007	0.5
65.03948	2.6
67.01801	0.5
67.05504	7.1
68.99778	3.0
69.03423	1.2
69.07069	1.5
70.32612	0.5
71.04999	2.7
71.51629	0.6
79.05501	5.5
81.03421	3.2
81.07061	15.8
83.04961	1.7
85.02917	1.1
85.06561	0.9
91.05485	90.5
93.03410	2.0
93.07053	5.3
94.04201	4.0
95.04971	12.0
95.08599	2.8
95.11362	0.6
97.02885	1.3
97.06544	1.0
98.03683	1.8
99.04416	1.2
105.07047	2.5
107.08595	1.9
108.05737	0.6
109.02887	10.3
109.06522	57.0
109.10139	3.8
110.07367	0.6
111.00806	21.3
111.04426	3.3
111.08080	2.6
113.06036	0.7
118.47451	0.6
119.04964	1.1
121.06467	0.9
121.10174	0.9
123.04450	8.2
123.08074	38.4
123.11705	7.2
124.08421	0.5
125.06036	1.1
126.03142	27.5
127.03938	0.8
127.07567	3.2
133.02858	0.5
133.10150	1.8
137.05978	6.4
141.05466	100.0
142.05750	0.9
151.03903	1.8
151.07555	4.9
151.11209	3.7
152.07115	0.7
154.02661	0.8
169.04976	49.8
169.07523	4.9
169.08620	22.6
169.10098	0.8
169.12238	1.4
170.05382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid
Peak:m/z	Relative Intensity
53.03945	3.3
55.01863	1.4
55.05514	20.5
57.03427	2.6
57.07080	4.6
59.04995	1.6
65.03935	2.1
67.05508	25.5
67.19509	0.8
68.99817	0.8
69.03426	2.4
69.07072	7.5
70.87011	2.1
71.04646	1.1
71.05003	10.1
75.78760	0.7
79.05494	14.1
81.03408	1.0
81.07061	100.0
83.08653	1.4
85.06534	3.8
91.05458	4.0
93.07051	7.2
95.04977	9.4
95.08611	31.1
97.06518	1.8
97.10175	4.0
99.04466	2.2
99.08074	1.1
101.57394	0.7
105.07039	4.8
107.08599	5.0
109.02882	2.5
109.06522	10.5
109.10184	5.6
111.00829	4.5
111.04510	0.9
111.08109	3.6
113.06013	3.5
121.10184	1.7
123.04461	1.3
123.08080	2.8
123.11713	40.8
125.09659	0.8
126.03122	4.7
127.03920	1.1
133.10144	2.8
141.05476	19.6
141.07042	1.2
151.03943	0.9
151.11189	7.6
154.07716	0.7
169.05014	13.0
169.06392	1.4
169.07605	1.1
169.10103	1.8
169.12199	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	169.1225
Annotation	trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid
Peak:m/z	Relative Intensity
53.03948	2.3
55.01883	0.7
55.05518	17.5
57.03448	1.0
57.07083	7.0
59.05004	1.6
63.07009	0.6
64.49338	0.6
65.03941	2.6
67.05511	25.4
69.03427	3.1
69.07071	8.2
69.36248	3.0
69.36671	2.3
71.05000	10.0
79.05073	1.0
79.05500	11.8
81.03417	1.2
81.07063	100.0
83.08611	1.0
85.06548	2.8
91.05483	2.7
93.07056	8.6
95.04980	8.4
95.08618	25.5
97.06537	1.1
97.10184	4.2
99.04459	2.7
99.08134	1.5
105.07044	3.6
107.08582	4.1
109.02866	1.0
109.06506	7.9
109.10170	5.5
111.00835	1.7
111.08084	1.5
113.06034	2.7
121.10143	1.9
123.08094	2.2
123.11715	40.8
126.03174	2.1
133.10146	2.4
140.10068	0.7
141.05453	5.8
141.07050	1.1
151.03928	0.6
151.11180	5.6
169.04959	3.6
169.10147	1.2
169.12280	1.7
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	Pyridoxine
Peak:m/z	Relative Intensity
53.69813	0.3
56.96566	4.8
57.03441	0.3
60.59519	0.2
61.02936	0.4
63.86354	0.3
68.99794	0.9
69.03428	0.7
69.62140	1.7
70.98125	1.7
72.08160	0.3
72.39062	0.3
77.03909	0.4
79.05510	1.7
81.03398	0.5
81.05795	0.4
81.07075	0.9
85.02910	0.5
91.05487	3.0
93.07048	0.7
96.08125	1.4
97.02895	0.8
98.92531	0.3
98.97586	3.0
101.00894	0.6
103.05441	0.5
106.01801	0.8
106.06554	0.9
107.04911	0.8
108.01438	0.3
109.02918	0.4
109.06513	1.3
110.97585	2.0
115.02305	2.2
116.98600	0.6
117.52582	0.3
118.01006	1.5
119.01897	0.5
119.03393	0.3
119.04945	0.6
120.00765	0.3
121.06503	1.5
123.06804	0.8
124.02812	0.8
124.07599	4.8
126.04218	0.4
126.53126	0.8
127.01544	3.7
127.02395	0.4
128.98616	1.3
129.01855	0.8
131.01912	0.6
132.58264	0.3
133.01494	0.5
134.06020	59.6
135.04382	0.4
135.06358	0.7
137.05988	3.8
143.01915	0.5
146.99590	0.6
150.05493	0.4
152.07069	100.0
153.07417	1.4
155.01955	0.3
158.99725	0.6
170.08134	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	171.0654
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03941	2.2
55.01627	1.1
55.01874	13.1
55.05510	7.6
56.02193	0.7
56.96572	4.2
57.03437	1.4
61.02909	0.7
65.03616	1.0
65.03944	18.5
67.05513	7.9
68.99797	8.1
69.03429	10.3
69.07082	3.5
69.66624	4.1
70.94257	1.3
71.04981	1.6
72.04525	9.0
72.08173	0.8
73.02927	0.8
79.05499	13.6
81.03417	3.6
81.07062	8.4
82.06570	0.8
82.36094	0.7
83.01353	0.9
83.04987	14.6
83.08628	3.8
85.02898	3.9
85.06532	0.8
86.09711	1.4
87.04419	0.8
88.95292	1.4
89.07158	8.5
91.05487	3.2
93.03406	7.9
93.07039	7.2
93.37045	0.6
95.04992	3.1
95.08591	3.2
96.02103	0.9
97.02889	2.0
97.06540	5.8
97.10190	0.9
97.72150	0.6
98.06127	0.6
98.20841	1.0
98.97572	2.2
100.07622	0.8
105.07039	1.5
107.01333	1.6
107.04941	3.1
107.08595	8.7
109.02877	2.3
109.06509	3.6
109.10151	3.1
111.04447	61.1
111.08098	3.1
119.01839	0.9
121.03982	6.9
123.08102	1.0
124.51503	0.9
125.02374	2.1
125.05998	100.0
125.07930	2.0
125.09621	1.8
126.06336	1.3
126.09113	0.8
127.03930	2.5
128.06229	0.9
129.53574	0.9
133.52116	1.2
135.00752	0.7
135.04443	1.0
135.06346	2.7
135.08073	1.7
138.54204	1.4
139.00319	4.4
139.03912	86.8
143.08586	1.5
153.01833	2.4
153.05487	2.0
153.07414	7.3
153.09108	5.9
156.09386	0.7
157.01363	1.7
157.04971	3.4
165.97694	0.8
171.02870	2.3
171.04237	1.1
171.05251	0.9
171.06584	14.7
171.08206	2.6
171.09973	3.5
171.11565	0.8
171.13680	0.8
171.14963	7.7
194.17720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	Boonein
Peak:m/z	Relative Intensity
53.03941	1.1
55.01865	2.1
55.05513	9.5
57.03429	3.8
65.03955	4.0
67.05509	100.0
68.05842	0.9
68.99778	1.0
69.03413	2.1
69.07066	6.3
69.96100	3.5
71.04985	3.4
72.04523	7.3
72.08174	4.7
73.02905	2.4
79.05499	38.5
81.07061	43.8
83.04989	7.1
83.08636	4.6
85.02923	1.4
85.06538	0.8
89.07162	7.6
91.05490	7.8
93.03414	1.9
93.07045	14.3
95.04994	1.3
95.08591	6.6
97.06532	3.4
97.10192	1.5
105.07039	4.5
107.01313	1.1
107.08602	98.6
108.08917	1.7
109.06523	5.4
109.10165	68.1
110.10516	1.1
111.04449	22.5
111.08085	5.0
117.07021	1.0
119.06044	1.3
123.08076	0.8
123.11716	1.0
125.06020	3.6
125.09643	10.6
127.03918	1.2
128.06238	3.2
135.08058	6.9
135.11678	5.4
136.00826	0.8
139.03893	2.7
141.07042	1.0
142.07771	2.6
143.05968	1.8
143.08574	10.1
153.09117	63.2
153.12764	3.2
156.09386	6.4
171.02888	1.5
171.10188	65.6
171.11670	8.0
171.14983	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	171.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01865	2.4
55.05515	8.7
57.03429	4.6
59.04995	1.2
65.03934	4.2
67.05508	87.2
68.99794	1.2
69.03433	2.0
69.07068	6.5
69.57742	2.0
69.58154	4.3
71.04978	3.1
72.04517	10.3
72.08157	5.6
73.02917	3.6
79.05496	38.3
81.07058	43.0
83.04995	7.4
83.08614	3.5
85.02901	1.5
85.06548	2.3
89.07159	5.2
91.05473	7.5
93.03417	3.0
93.07050	15.2
95.04951	1.7
95.08608	6.3
97.06528	3.9
97.10178	2.0
98.21532	1.6
104.90668	1.0
105.07027	4.4
107.04985	1.1
107.08597	100.0
109.06520	4.2
109.10161	58.2
111.00855	1.1
111.04441	26.7
111.08095	4.0
115.05454	1.4
116.03919	1.0
119.06093	1.6
123.08058	1.2
125.05981	2.2
125.09631	10.1
128.06221	3.1
135.08055	7.7
135.11697	4.3
139.03879	2.2
141.06898	1.4
142.07790	2.8
143.06044	1.4
143.08565	11.8
153.09108	59.3
153.12614	1.9
154.09460	1.6
155.08685	0.8
156.09344	5.5
171.02882	1.5
171.05457	1.9
171.10190	57.9
171.11662	7.6
171.14961	6.9
172.10373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	Boonein
Peak:m/z	Relative Intensity
53.03944	2.5
55.01865	3.1
55.05513	13.3
56.96555	1.1
57.03434	4.9
59.04998	4.6
65.03937	4.3
67.05508	74.2
68.99789	1.1
69.03449	3.9
69.07070	7.2
69.26791	7.5
70.94285	0.9
71.04996	2.4
72.04521	13.9
72.08131	1.4
73.02916	7.6
75.97054	0.8
79.05498	48.9
81.03416	0.9
81.07059	49.1
83.04971	10.5
83.08617	6.1
85.02887	1.6
85.06537	1.7
87.04459	2.8
89.07162	11.0
91.05487	12.2
93.03415	4.2
93.07052	15.9
95.04967	3.8
95.08610	6.7
97.02882	1.2
97.06518	5.8
97.10181	2.6
99.04448	1.1
105.07017	6.0
107.04921	2.6
107.08597	100.0
108.08903	1.1
109.06516	6.2
109.10163	31.3
111.00817	1.5
111.04449	35.7
111.08096	5.3
113.01314	1.0
115.05473	2.4
117.07028	2.9
119.01784	1.6
119.06086	1.6
121.06494	1.9
123.08120	1.8
124.45544	0.9
125.05980	5.0
125.09642	16.7
127.03956	1.0
128.03615	1.1
128.06221	3.2
129.07021	0.8
135.08067	18.5
135.11696	1.8
139.00259	2.8
139.03912	3.2
141.05400	1.4
142.05833	1.4
143.05965	5.8
143.08583	5.4
153.05534	1.9
153.09114	73.8
153.12648	1.6
156.09329	6.5
157.03154	1.0
171.02960	2.5
171.04257	1.4
171.05516	4.1
171.08270	2.5
171.10190	49.3
171.11687	7.5
171.14957	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	172.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
56.96557	2.4
57.07079	100.0
57.94875	0.8
59.99116	38.0
67.05494	1.8
68.60031	0.7
70.06586	1.4
71.52296	0.8
72.04506	2.4
73.02888	0.9
76.74120	0.8
82.89220	0.7
83.04959	1.4
84.08124	1.0
85.02917	1.0
87.01046	0.9
88.07609	0.8
89.07143	1.7
89.24328	0.7
89.90703	1.4
90.90424	0.9
96.79596	0.7
98.97557	2.0
99.40105	0.7
100.11264	0.7
101.00727	1.3
101.06060	0.8
109.06519	1.0
109.10148	2.7
110.01261	2.6
111.04439	1.1
112.07553	1.4
116.05324	25.6
116.98586	1.0
119.01781	3.1
126.05523	1.4
126.09156	9.5
128.02310	2.3
130.52579	2.0
139.53102	1.0
154.05046	0.9
172.07532	1.3
172.09695	4.3
172.11308	2.9
172.15283	2.2
172.16954	2.7
173.08142	2.5
173.13248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1174
Annotation	Aspinotriol B
Peak:m/z	Relative Intensity
53.03943	3.3
55.01857	2.2
55.05270	2.1
55.05515	27.8
57.03425	2.4
59.05005	8.8
65.03949	1.7
67.05513	9.9
69.03420	4.5
69.07060	1.8
71.04978	5.0
71.51460	2.5
72.93467	1.8
72.93798	21.3
73.02917	2.2
74.69318	1.8
79.05495	33.7
81.07065	17.4
83.04986	41.4
85.06535	3.3
87.04494	3.1
88.52723	1.7
88.93676	1.5
90.94821	16.6
91.05485	16.4
93.07054	12.6
94.04183	2.7
95.04967	6.9
95.08611	24.3
97.02925	3.2
101.06018	18.6
103.03291	2.2
103.05452	4.5
105.07037	78.9
107.08582	5.5
109.06523	46.2
109.10162	1.8
111.04449	43.5
111.08092	12.8
113.06019	5.0
113.96494	3.9
115.05470	7.0
116.03068	2.0
116.06276	2.2
117.07015	10.3
118.06510	2.5
119.08585	14.9
122.07227	1.8
123.08087	10.7
127.07561	5.7
128.06250	2.0
129.05475	7.4
129.06987	9.8
130.07758	2.4
130.49425	1.5
131.04991	2.1
131.08568	59.1
132.95808	2.5
133.18153	1.5
137.05977	3.5
137.09625	89.5
143.08559	22.4
144.09354	6.5
145.06485	8.2
145.07558	2.6
145.10126	27.7
149.94205	2.4
149.96109	8.3
149.97226	2.2
150.96886	3.5
155.03410	1.9
155.05931	3.0
155.07057	26.2
155.08336	3.1
155.10667	40.5
158.07295	2.7
158.10921	28.0
167.97202	6.3
173.05914	7.8
173.08197	43.0
173.09679	4.7
173.13274	100.0
174.07513	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	173.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24976	0.5
52.73299	0.5
53.03929	0.6
55.05508	1.9
57.07075	1.0
62.79586	0.5
65.03939	0.8
67.05525	2.6
69.07080	2.6
69.07381	0.5
70.85153	1.4
71.04985	2.4
79.05491	1.6
81.07064	9.1
83.04971	1.1
85.06539	1.1
91.05482	7.4
93.07060	1.5
95.08619	5.4
99.08084	0.7
101.06010	0.9
103.05460	0.7
104.56532	0.5
105.07040	7.6
111.04440	1.3
115.05466	1.5
115.13455	0.5
116.06313	1.2
117.07035	4.9
119.08588	13.6
128.06192	1.4
129.07019	9.2
130.07809	2.7
131.08582	46.3
133.10136	2.9
137.13272	3.1
142.07700	0.9
143.08575	21.2
144.09363	7.3
145.10141	21.8
155.07098	0.8
155.14320	2.9
156.09401	1.4
157.10040	1.3
158.10922	29.5
158.57811	0.6
171.11732	1.6
173.08279	2.4
173.13281	100.0
174.13655	1.2
186.22961	0.5
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
55.05510	2.6
56.96896	0.4
57.00606	0.5
61.45043	0.4
63.18620	0.5
63.23434	0.5
67.05495	1.9
69.07057	0.6
69.22184	4.9
70.80946	0.6
72.93776	1.3
79.05515	2.4
81.07066	2.7
83.04979	2.7
90.94839	0.9
91.05484	7.4
93.07035	1.7
95.08588	1.8
98.21481	1.0
101.06018	2.1
105.07040	8.4
109.06524	1.2
111.04460	3.7
115.05449	1.7
116.06243	1.8
117.07031	4.9
119.08597	13.2
128.06224	1.5
129.07028	8.1
130.07825	2.5
131.08582	46.9
132.08791	0.6
133.10138	2.5
137.09615	2.0
142.07791	1.1
143.08571	19.1
144.09386	5.8
145.06509	0.6
145.10138	23.3
149.96065	0.6
155.07028	1.9
155.10706	1.0
156.09293	1.3
157.10176	1.1
158.10927	31.6
171.11707	1.7
173.08287	4.2
173.13278	100.0
174.13657	1.1
191.49562	0.5
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
50.38097	0.2
53.03954	0.3
55.05511	1.9
56.72583	0.3
57.07062	0.9
63.50888	0.2
65.03946	0.3
67.05508	2.0
68.02958	0.3
69.07056	1.0
69.84596	1.4
79.05494	0.7
81.06594	0.4
81.07060	5.4
83.04972	1.2
83.08614	0.3
84.10345	0.3
85.06572	1.6
91.05487	3.5
93.07042	0.4
95.08622	2.2
99.08083	0.7
101.06011	0.8
103.05461	0.5
105.07041	4.5
109.10131	0.4
110.10535	0.3
111.04445	1.8
115.05444	0.9
116.06248	1.2
117.07034	2.7
119.08590	9.9
128.06244	0.8
129.05482	0.3
129.07011	4.2
130.07787	0.9
131.08578	32.3
132.08952	0.4
133.10133	1.7
137.13248	0.6
142.07762	0.8
143.08571	12.6
144.09357	4.5
145.06436	0.4
145.10135	17.5
155.07072	1.1
155.08423	0.2
155.14311	1.1
156.09338	1.1
157.10149	0.8
158.10925	27.5
159.11272	0.6
171.11682	1.7
173.05965	0.9
173.08406	1.9
173.13275	100.0
174.13657	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.07753	0.3
55.05516	1.8
55.64373	0.4
59.04992	0.6
65.03949	0.4
67.05495	1.2
69.97891	1.1
69.98299	0.8
72.93790	0.8
83.04982	2.1
90.17288	0.3
90.90397	0.3
90.94808	0.6
91.05483	1.8
101.06013	1.1
103.03239	0.5
105.07043	2.3
111.04449	3.4
115.05447	0.8
117.07001	1.3
119.08592	6.8
121.22430	0.4
127.07544	0.8
128.06213	1.3
129.07016	2.5
130.07817	0.8
131.08571	15.7
133.10158	3.7
142.07797	1.5
143.08569	19.2
144.09384	3.5
145.06487	0.6
145.10121	12.1
155.07048	1.8
156.09309	0.8
157.10101	1.5
158.10918	47.2
159.11255	0.9
171.11665	1.0
171.87836	0.4
173.05936	1.1
173.08289	3.5
173.13266	100.0
174.13588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.6
59.05008	0.6
62.21008	0.6
65.03929	0.7
67.05494	2.1
70.90324	1.5
72.93774	3.0
79.05475	2.3
81.07055	3.8
83.04987	4.3
90.94818	2.4
91.05483	7.0
93.07040	1.5
95.08599	1.3
101.06049	3.6
105.07027	8.3
109.06520	1.1
111.04433	6.8
113.06040	0.9
115.05437	2.0
116.06229	1.6
117.07030	5.0
119.08574	13.4
127.07544	0.9
128.06206	1.1
129.05511	1.1
129.06979	7.6
130.07762	2.6
131.08568	47.5
131.35092	0.6
133.10103	1.7
137.09659	0.7
141.06952	0.9
142.07748	0.8
143.07518	1.2
143.08569	17.8
144.09360	7.0
145.06490	1.0
145.10124	22.3
149.96101	1.6
155.07019	4.9
156.09390	1.4
157.10132	1.3
158.10909	27.6
167.97072	0.8
171.11693	1.3
173.05923	1.4
173.08186	7.1
173.13261	100.0
174.13573	1.8
188.16919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1538
Annotation	cis-p-Menthan-1,8-diol
Peak:m/z	Relative Intensity
52.19640	1.1
53.00305	1.0
55.05518	12.2
57.07085	7.4
59.05001	8.5
65.03944	1.4
67.05515	7.5
69.07072	33.7
69.23512	8.1
71.04998	37.1
71.08640	1.1
79.05489	3.5
81.07062	61.6
82.18890	1.2
83.04971	2.1
83.08640	5.6
85.06547	4.5
88.28675	1.0
91.05478	8.1
93.07035	1.4
95.08617	45.3
97.10180	6.2
99.08091	5.4
105.07034	5.7
108.09438	1.0
109.10194	5.3
111.04409	1.2
111.67631	1.2
117.07038	4.4
119.08599	13.4
121.95300	1.1
125.80582	1.1
128.06216	1.3
129.07050	6.5
130.07761	2.9
131.08574	44.3
133.10127	1.8
137.13266	36.1
143.08582	18.4
144.09393	6.4
145.10150	18.4
155.14319	36.9
156.55045	1.1
157.10066	1.7
158.10921	27.7
171.11792	1.5
173.13280	100.0
190.85173	1.1
194.81447	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1537
Annotation	trans-p-Menthane-1,4-diol
Peak:m/z	Relative Intensity
55.05514	16.7
57.07081	6.9
59.04987	5.2
67.05502	10.2
69.07068	33.1
70.86193	2.3
71.05000	29.6
71.08635	1.7
79.05501	6.5
79.64442	1.3
81.07061	74.4
83.04977	5.2
83.08618	6.3
85.06068	2.1
85.06538	15.6
91.05483	10.1
93.07050	2.4
95.08607	49.5
97.10174	4.8
99.08117	13.1
99.79618	1.3
101.06014	3.2
105.07034	8.3
109.10153	6.2
111.04454	6.7
111.11784	2.1
115.05448	4.3
116.06203	2.3
117.07014	8.1
119.08583	10.9
127.07575	1.7
128.06227	2.3
129.07021	5.8
130.07791	1.9
131.08569	59.1
133.10133	2.4
137.09669	1.4
137.13254	36.1
143.08572	19.4
144.09349	5.3
145.06467	3.2
145.10138	21.2
155.07076	3.4
155.14307	35.4
156.09358	1.2
158.09737	1.3
158.10912	33.9
173.05917	3.5
173.08272	8.8
173.09668	3.3
173.13271	100.0
174.13641	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0392
Annotation	Lawsone
Peak:m/z	Relative Intensity
51.30526	0.4
51.55395	0.4
53.03956	0.6
55.01869	1.7
55.05509	1.4
57.03428	0.5
60.05643	0.8
61.02924	0.6
65.03941	9.9
67.05511	1.4
69.03432	2.1
69.07076	1.4
70.06609	2.5
70.06926	0.4
71.04997	1.1
72.08162	0.9
73.02900	0.5
79.05496	3.3
81.07056	1.7
83.01365	2.1
83.04978	1.2
83.08624	0.6
85.02903	1.8
87.04473	1.4
91.05486	100.0
92.05808	0.8
93.07039	1.0
95.04978	0.8
95.08612	1.8
97.02904	4.8
97.06542	0.7
98.03671	1.2
98.98468	20.1
103.05469	3.5
103.27925	0.4
105.03416	4.0
105.07041	5.5
106.06580	0.5
107.04969	1.4
107.08592	1.4
111.04440	2.6
113.05956	0.8
115.03931	0.9
115.05470	3.1
115.07549	0.6
116.07143	0.6
116.97241	0.6
116.99488	0.5
117.07047	2.1
119.04948	73.9
119.08580	9.7
119.09370	0.7
120.05278	0.8
125.02358	2.0
127.03918	2.0
128.06226	0.5
129.03365	1.3
129.05435	0.7
129.07010	1.3
130.06514	0.9
131.04938	1.8
131.08566	0.7
132.05699	0.8
133.02861	0.8
133.10139	5.7
133.95967	0.4
143.04915	1.4
144.05836	0.5
147.04419	48.8
147.08058	1.6
147.11710	1.8
150.96831	0.8
156.97717	0.5
157.02905	0.6
157.05031	1.1
157.06398	0.5
157.07631	0.6
160.05206	5.9
165.05479	1.0
174.98859	0.7
175.03926	16.4
175.06001	1.2
175.07478	10.2
175.11221	1.6
175.13289	1.0
175.14827	10.2
176.06987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03936	0.4
55.05512	2.4
67.05486	0.4
69.07073	5.1
70.61861	0.5
70.72355	0.7
70.72701	0.7
71.15779	0.4
79.05501	0.7
81.07051	1.9
83.08628	1.6
91.05489	6.1
91.96661	0.5
93.07059	1.0
95.08613	1.1
103.05478	1.3
104.06233	1.5
105.07037	4.9
107.04934	0.6
107.08602	0.9
115.05464	41.4
116.06264	1.7
117.07024	8.4
119.04951	1.6
119.08597	18.0
128.06256	2.5
129.07019	4.2
131.04927	2.1
131.08612	0.7
132.05710	7.8
133.10135	13.5
133.11104	0.9
143.04941	14.3
144.05721	9.1
145.06451	0.9
145.10150	0.9
147.08057	6.1
147.11688	2.7
155.06099	0.8
159.67281	0.4
160.05208	62.0
160.12392	0.5
161.05780	0.9
173.13252	0.5
175.07561	100.0
175.14836	20.3
176.07899	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
70.30287	0.5
70.30640	0.4
77.03940	0.2
89.31529	0.2
91.05493	1.7
96.43839	0.2
98.98449	0.3
103.05485	0.7
104.06218	0.5
105.03429	0.5
105.07055	0.8
115.05458	47.4
116.06343	1.9
117.07021	8.4
118.04198	0.3
119.04904	0.4
119.08572	1.7
127.05480	0.2
128.06241	1.6
129.07001	3.2
131.04936	2.2
132.05740	5.0
133.10135	0.4
142.04166	0.5
143.04924	14.3
144.05708	9.9
145.06459	0.9
146.07208	0.4
147.08052	3.8
154.87225	0.2
155.06102	1.1
157.06471	0.4
159.04424	0.5
160.05199	65.6
161.05623	1.4
174.06764	0.3
175.07545	100.0
175.14725	1.2
176.07930	1.6
194.52899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
55.01876	1.1
55.05539	0.4
55.58449	0.3
56.17261	0.3
56.96566	11.5
57.03441	2.9
60.05651	38.5
60.95854	0.8
61.02927	1.6
66.30781	0.4
67.05489	0.6
69.03435	1.7
69.07069	0.7
69.85380	0.9
69.85781	0.8
70.06596	100.0
70.98128	1.2
71.01350	0.5
71.04991	2.2
71.06936	0.7
71.95255	0.6
72.08163	7.9
73.02924	4.0
74.97646	0.4
77.27186	0.4
79.05538	0.5
81.03418	1.4
82.99841	1.2
83.00795	0.5
84.08154	3.3
85.01412	1.6
85.02916	3.0
87.04488	0.6
89.00787	0.9
90.05575	0.4
91.02370	0.5
91.05489	2.1
95.08632	0.5
96.01508	0.4
97.02882	3.8
97.07630	0.7
97.99183	0.4
98.01319	0.8
98.06062	0.7
98.20870	0.4
98.97589	12.9
99.04467	0.8
99.97913	0.4
100.99141	1.1
101.00880	9.0
102.53109	1.0
103.00597	0.7
103.02445	2.9
104.01291	0.8
109.02892	0.8
109.06532	0.7
110.01302	1.7
110.97577	2.6
111.53639	0.6
112.03812	0.4
112.07609	5.4
112.08736	4.0
112.99150	0.6
113.00866	0.7
113.07106	0.5
114.10312	0.7
114.96983	0.5
115.00671	0.7
115.02475	2.0
115.03172	0.4
115.05489	0.5
115.08690	1.2
116.07098	31.5
116.98651	3.8
117.00306	0.5
117.01983	0.4
118.01031	0.9
119.01906	14.8
119.04949	1.6
119.08625	0.6
121.01655	1.4
121.03479	0.5
124.02792	0.6
125.01791	0.7
126.03447	0.4
127.00687	0.4
127.02420	0.6
127.03922	0.8
128.02357	1.0
128.98581	1.8
129.10239	0.8
130.02861	0.8
130.03716	0.5
130.08655	3.3
130.09769	13.5
131.00171	0.6
131.01866	1.6
132.00745	0.4
132.97957	0.4
133.01587	0.9
133.03476	7.6
133.10080	0.5
134.99611	0.6
135.53625	0.5
137.02975	2.2
137.05972	1.4
138.06236	0.5
142.03596	0.5
143.00108	0.6
143.01903	2.9
144.98055	0.6
145.01683	1.9
145.03389	2.4
146.99654	0.8
147.01328	0.4
147.04353	0.8
149.01277	0.5
150.99138	0.5
151.04517	1.6
154.03847	0.8
154.53993	0.4
155.01862	0.5
156.03349	1.0
156.98077	0.5
157.03479	0.8
157.09755	0.5
157.10831	2.5
158.08020	0.9
158.09262	9.2
158.99686	1.0
161.02959	2.9
162.99200	0.4
163.02982	2.0
163.04234	2.2
174.99155	1.0
175.04527	11.8
175.07610	1.1
175.11916	34.7
175.14429	0.9
177.00684	0.5
178.85709	0.4
179.03983	1.1
185.02893	0.5
186.04399	1.4
187.04584	0.5
193.00154	1.1
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
55.01875	0.8
55.05513	5.9
56.66433	0.6
57.07085	1.4
64.85691	0.5
65.03963	0.6
65.47403	0.5
67.05518	1.6
68.99804	1.0
69.03419	0.7
69.07072	20.1
69.78982	1.3
69.79395	1.5
70.06593	1.3
71.05005	1.2
79.05498	2.2
80.24805	0.7
81.07053	4.8
83.08630	4.1
85.02892	0.9
90.09676	0.5
91.05486	11.3
93.07053	4.4
95.08614	6.0
97.02923	1.3
98.20835	0.7
98.98469	8.7
104.06297	0.7
105.07038	21.4
107.08595	5.1
115.03989	0.7
115.05461	8.5
116.97235	1.2
117.07036	5.2
118.07806	0.6
119.04906	1.7
119.08587	79.4
120.08859	0.6
121.10140	2.5
125.02384	0.6
127.03957	0.6
129.07007	1.8
131.04907	0.5
131.08553	4.0
132.05708	1.1
132.09320	0.9
133.10136	65.0
134.10487	0.8
135.11665	1.1
140.04753	0.8
142.50681	1.6
143.04918	2.2
144.05688	3.0
145.06493	1.5
145.10147	5.2
146.10901	1.0
147.04385	1.0
147.08060	2.1
147.11693	9.6
160.05208	11.8
160.12468	2.7
173.13266	2.4
175.04010	0.8
175.06107	0.9
175.07550	23.2
175.11217	2.7
175.14833	100.0
176.15166	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.8
64.64983	0.5
67.05500	1.9
69.07074	13.5
69.62701	2.3
79.05498	2.3
81.07065	8.3
83.08616	2.4
91.05482	8.9
93.07050	3.5
95.08610	7.1
98.21487	1.0
98.98473	1.4
105.07034	21.4
107.08609	5.6
109.10136	0.5
115.05457	7.6
116.06290	0.7
117.07014	4.0
118.07795	0.8
119.08585	61.0
121.10162	1.6
128.06210	0.7
129.07043	1.3
131.08588	3.5
132.05690	1.7
132.09355	0.9
133.10135	100.0
134.10489	0.8
143.04927	2.1
144.05679	1.7
145.10115	4.4
146.10912	1.1
147.08064	0.8
147.11690	8.0
159.11688	0.7
160.05209	11.5
160.06526	0.6
160.12457	2.4
173.13211	1.6
175.04002	0.5
175.07550	19.6
175.14827	71.8
176.15158	1.0
177.48488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
51.27688	0.5
55.05513	6.2
57.07079	0.9
67.05499	1.6
69.07072	19.0
71.18008	0.8
79.05497	1.7
81.07057	2.8
83.08633	4.0
91.05489	7.1
93.07049	2.7
95.08611	3.7
102.38338	0.6
105.07037	21.9
107.08592	3.9
115.05459	2.7
117.07022	2.3
119.08586	72.8
120.08836	0.8
121.10175	2.7
126.53003	0.5
131.08554	2.7
132.05710	0.6
133.10135	59.2
143.04904	0.9
145.10129	4.4
146.10959	0.8
147.11690	9.0
159.11742	0.8
160.05215	4.8
160.12457	3.1
173.13284	1.6
175.07591	7.7
175.14832	100.0
176.15140	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05511	6.5
65.03939	2.0
67.05493	2.5
69.07069	18.7
70.91581	1.8
71.85104	0.7
77.03912	0.7
79.05481	2.2
81.07056	11.8
83.08614	4.7
89.03909	1.0
91.05483	25.0
93.07061	4.7
95.08608	9.9
98.98443	1.9
104.06237	0.8
105.07030	29.6
107.08607	6.3
115.05446	5.4
117.07014	3.1
119.04947	8.9
119.08582	74.4
120.08910	1.1
121.10148	1.9
129.06985	0.8
131.08583	4.9
133.10132	67.6
134.10439	0.9
143.04945	2.7
144.05734	1.3
145.10147	5.6
146.10892	1.8
147.04410	3.7
147.11691	9.3
157.03964	1.2
160.05205	9.8
160.12463	3.4
173.13219	1.4
175.03952	2.4
175.07549	14.5
175.14830	100.0
176.15161	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03943	0.8
55.05514	8.2
57.07072	1.3
67.05505	2.7
69.07070	21.1
71.03883	1.0
79.05489	3.4
81.07056	8.1
83.08618	4.2
91.05479	9.7
93.07051	4.7
95.08615	6.8
103.05476	0.8
104.06256	1.3
105.04460	0.5
105.07035	26.8
107.08600	6.3
115.05438	2.5
117.07040	3.7
119.08584	76.4
120.08837	0.9
121.10152	2.5
129.67667	0.6
131.08539	3.9
132.05740	1.0
133.10132	93.8
134.10397	0.8
135.11658	0.8
144.79224	0.6
145.10112	5.1
146.10918	1.2
147.08052	1.9
147.11691	9.6
159.11555	0.6
160.05202	2.8
160.12482	3.9
173.13219	2.5
173.48940	0.6
175.07561	4.1
175.14828	100.0
176.15097	2.0
183.08556	0.6
193.11093	0.5
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
53.03952	0.7
54.47229	0.5
55.01874	0.7
55.05511	8.7
56.96574	0.6
57.03448	0.6
57.07080	0.7
59.04018	0.5
60.07034	0.5
67.05505	4.1
69.03438	1.8
69.07072	15.0
69.45102	1.2
69.45499	3.6
69.51199	0.6
70.06599	2.2
71.04996	4.3
72.04523	3.0
72.08211	0.5
77.03933	0.7
79.05486	4.9
79.74279	0.5
81.07054	14.2
83.04983	1.1
83.08601	4.2
85.02904	1.3
87.04472	0.9
91.04903	1.0
91.05483	18.6
93.07045	7.1
95.04936	0.7
95.08614	13.2
97.02915	2.1
97.06514	0.8
98.03682	0.8
98.21482	1.2
98.98470	12.4
98.99059	1.0
103.05482	1.2
105.07032	46.7
107.08591	9.0
109.10203	0.7
111.04479	0.8
115.05453	7.8
115.07578	1.9
117.07035	5.6
118.19687	0.5
119.04955	2.2
119.08583	79.7
120.08891	0.8
121.10130	1.8
127.03942	0.9
129.05487	0.8
129.07013	2.3
130.09727	0.8
131.04935	0.7
131.08560	6.2
132.05708	1.9
132.09312	0.8
133.10132	48.1
139.11246	0.6
142.07774	0.7
143.04909	2.9
144.05699	3.3
145.06488	1.0
145.10153	4.2
146.07304	0.6
146.10899	3.8
147.04440	3.3
147.07990	3.1
147.11684	14.7
157.04991	0.5
157.06387	0.7
157.10158	1.0
157.12216	0.9
160.05194	17.7
160.08789	2.3
160.12431	1.6
173.13275	2.2
175.03885	1.5
175.06152	1.3
175.07538	29.7
175.11282	7.3
175.14830	100.0
176.15237	2.6
191.94807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05513	5.7
57.07052	0.8
67.05485	2.1
67.69400	0.5
69.07069	18.7
69.86388	2.6
76.10512	0.5
79.05482	1.3
81.07053	3.9
83.08619	3.6
84.59229	0.6
87.10045	0.8
91.05477	7.3
92.89158	0.7
93.07033	2.5
95.08589	3.9
98.21468	0.9
98.98469	0.9
105.07030	20.9
107.08589	4.2
115.05476	1.5
117.07010	1.9
119.08582	70.1
121.10113	1.4
126.14111	0.6
131.08606	3.1
133.10132	58.5
135.11742	0.7
143.04906	0.6
145.10127	4.5
146.10886	0.7
147.11702	9.2
160.05237	1.2
160.12497	3.0
173.13251	2.7
175.07611	2.5
175.14825	100.0
176.15147	1.5
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
50.54416	0.6
52.33569	0.5
53.37935	0.5
55.05515	7.5
57.07070	1.2
65.03919	0.7
67.05492	2.6
69.07071	18.5
69.58211	3.4
79.05492	3.0
79.49382	0.7
81.07054	7.2
83.08627	4.0
91.05484	9.7
93.07048	4.2
95.08620	6.9
98.98469	1.1
103.05429	1.1
104.06206	0.6
105.07034	23.8
107.08621	4.9
115.05470	4.6
117.07018	4.3
119.04987	1.3
119.08585	76.8
121.10133	2.4
129.06978	0.8
131.08600	3.8
132.05695	1.7
132.09383	0.8
133.10136	63.7
143.04936	1.4
144.05670	1.0
145.10155	5.0
146.10931	1.3
147.04410	0.7
147.07996	0.8
147.11690	10.8
158.60886	0.7
160.05214	7.3
160.12439	2.9
173.13254	2.5
175.07544	13.2
175.14833	100.0
176.15111	1.6
177.87225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05511	8.1
57.07065	1.2
59.82791	0.6
60.99427	0.6
67.05490	1.6
69.07069	22.6
69.46724	4.4
79.05485	2.8
81.07068	5.1
83.08617	4.0
91.05479	8.7
93.07054	4.0
95.08620	4.6
103.05449	0.8
105.07030	24.5
107.08605	4.5
115.05453	2.6
117.07026	3.3
119.08584	87.2
121.10151	2.4
131.08566	2.8
133.10133	69.1
134.10448	1.1
143.04913	0.7
145.10123	5.3
146.10854	1.3
147.11690	8.8
160.05199	4.7
160.12503	4.1
173.13277	1.8
175.07552	5.6
175.14827	100.0
176.15182	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05518	5.4
56.31140	0.5
57.03438	0.8
57.07080	1.4
67.05503	1.0
69.07076	18.1
70.80358	0.9
70.80703	1.2
79.05513	2.0
79.99313	0.6
81.07067	4.9
83.08616	4.0
85.02895	0.6
88.18449	0.6
91.05492	7.8
93.07056	3.1
95.08601	3.5
98.98475	2.9
99.81941	0.6
103.05469	1.1
104.06226	0.6
105.07042	20.5
107.08606	3.7
108.45434	0.6
115.05467	13.7
115.06280	0.9
116.06259	0.7
117.07046	4.3
119.08594	75.1
120.08929	0.8
121.10088	1.4
128.06274	0.9
129.07024	1.3
129.52592	0.6
131.08580	2.8
132.05707	1.9
133.06506	1.6
133.10146	58.9
135.11604	0.6
143.04951	5.2
144.05710	2.0
145.10132	4.8
147.08115	0.9
147.11699	8.3
159.11739	0.8
160.05226	17.2
160.12424	2.9
173.13298	2.2
175.07564	24.3
175.11406	5.7
175.14841	100.0
176.15190	1.6
183.45804	0.5
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
53.03949	0.9
55.05516	4.9
55.24177	0.7
57.07101	0.8
64.99731	0.7
67.05495	2.0
68.74821	0.6
69.03438	1.3
69.06680	1.0
69.07068	17.9
70.06590	0.9
71.52283	0.9
79.05484	2.7
81.07054	5.4
83.08615	2.2
91.05484	11.5
92.90089	0.9
93.07030	3.8
95.04910	1.0
95.08601	4.8
97.02889	1.4
97.22975	0.8
98.03716	0.9
98.98460	11.1
103.05493	1.8
105.07040	23.3
107.08609	4.9
111.04414	0.9
115.05462	54.0
116.06228	2.4
117.07018	11.3
117.89169	0.7
119.04926	1.4
119.08587	73.2
121.10128	2.1
128.06261	2.3
129.06995	5.2
131.04942	2.8
131.08588	3.5
132.05731	6.7
133.06522	1.6
133.10136	56.7
143.04935	17.9
144.05699	10.5
145.06435	1.0
145.10126	5.2
146.07187	0.8
147.04366	1.2
147.08055	5.9
147.11694	11.5
154.22546	0.8
155.06071	1.7
157.04263	0.6
157.06467	1.0
159.04361	0.8
160.05205	66.9
160.12474	3.3
161.05890	1.6
173.13229	2.4
175.07555	100.0
175.11092	7.9
175.14830	92.2
176.07968	0.8
176.15172	1.4
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
50.51788	0.7
55.05510	10.3
57.07079	0.9
60.44157	0.7
67.05498	2.3
69.07069	20.3
70.66215	1.8
70.66555	1.7
73.71042	0.9
79.05494	5.2
81.07059	14.9
81.17597	0.7
83.08620	5.8
91.05492	12.1
93.07040	6.4
95.08611	12.6
98.98470	2.7
105.07034	35.7
107.08592	9.5
109.10108	1.2
115.05466	5.7
117.07034	4.7
119.04881	1.0
119.08587	86.9
121.10149	2.3
131.08556	5.1
132.05714	1.5
133.10138	79.6
143.04977	1.8
145.10120	5.3
146.10907	1.3
147.06239	0.8
147.08034	1.5
147.11699	11.2
160.05225	5.7
160.12454	3.5
173.13260	2.0
175.07568	12.8
175.11305	2.4
175.14830	100.0
185.38483	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63680	0.2
56.96298	0.4
56.96567	5.8
69.85888	0.5
69.86307	0.7
71.95274	1.6
85.80809	0.2
98.20882	0.3
98.97585	100.0
99.97930	0.4
101.00886	0.7
106.11543	0.2
113.00849	1.3
115.71197	0.2
116.98621	36.9
119.01937	1.1
123.00311	0.3
124.50011	0.4
131.01898	2.4
134.99661	8.3
140.00209	1.1
149.02945	0.3
151.00543	0.2
153.00751	0.6
153.50293	0.4
154.03540	1.1
158.01300	0.3
158.99622	0.2
167.06398	0.2
177.00772	1.7
177.02287	0.3
177.04358	0.2
195.01750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03941	0.4
56.98004	0.2
63.02379	0.2
65.03946	0.3
70.38982	0.7
71.04991	0.3
72.34628	0.2
77.03939	0.3
78.04690	0.3
79.05487	0.6
81.07046	0.2
84.94186	0.2
88.84062	0.2
89.03906	1.6
91.05486	7.8
93.07037	1.0
95.04990	0.3
95.08602	0.3
98.98425	0.3
102.04680	0.7
103.05461	3.2
104.06252	0.4
105.07053	0.6
106.04134	0.6
107.04983	1.3
107.08628	0.2
108.05714	0.2
109.06518	0.9
115.05465	6.0
116.06287	1.3
117.03380	1.2
117.07024	11.7
119.04942	1.7
119.08586	0.8
121.06514	21.9
121.10165	0.5
123.04471	0.4
127.05467	0.3
129.06970	0.2
130.04160	0.8
131.04938	10.3
132.05730	1.1
133.06493	3.5
134.03627	0.9
134.07301	2.0
135.04395	0.6
135.08096	0.4
135.53624	0.2
137.06010	1.2
144.05690	0.6
145.02841	0.5
145.06514	5.2
145.07602	0.7
146.07272	54.7
147.04417	2.0
147.08076	5.4
148.05190	0.4
149.05992	16.9
149.09615	3.0
155.06023	0.4
159.08116	0.4
161.05998	1.3
162.03197	0.5
162.06787	9.1
175.05974	0.2
176.08350	0.2
177.05717	5.9
177.09117	100.0
178.09462	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03943	7.8
55.01870	4.1
55.05515	32.3
57.03444	8.6
57.07075	5.1
65.03937	3.9
67.05508	25.0
69.03419	7.3
69.07072	45.4
70.96245	3.7
71.05003	14.7
77.03913	3.1
79.05023	1.6
79.05499	62.9
81.07057	54.9
83.04971	5.3
83.08614	10.6
89.03909	15.4
91.05489	51.3
93.07045	100.0
95.03992	1.6
95.04974	10.4
95.08609	24.0
97.06528	2.9
98.98475	3.7
103.05473	2.6
105.04555	1.8
105.07033	33.1
106.04205	2.6
106.92019	1.6
107.04967	11.7
107.08595	74.0
109.06518	12.8
109.10136	2.1
115.05456	5.2
117.03388	31.6
117.07023	37.8
119.08576	21.5
121.06510	23.4
121.10149	28.6
121.10963	3.1
122.07306	2.9
123.08038	2.4
129.07031	7.9
129.13147	1.6
130.07764	7.7
131.08572	38.5
133.06580	2.6
133.10124	9.4
134.03636	5.2
135.08032	11.0
135.11696	11.6
144.09337	7.0
145.02853	51.8
147.11623	1.9
149.05962	12.0
149.09636	2.3
149.13274	17.6
149.47655	1.5
159.11702	28.9
162.03044	2.3
177.05473	19.2
177.09094	5.7
177.12750	45.1
177.16379	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	177.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05516	14.5
57.07059	2.5
65.03954	1.2
67.05505	11.2
69.03419	2.2
69.07072	25.1
69.53796	6.8
71.08632	1.1
74.35581	1.0
78.04728	1.4
79.05495	20.1
81.07060	34.7
83.08624	14.5
89.03926	18.6
91.05485	11.1
93.07049	52.6
95.04979	1.9
95.08611	66.7
97.10178	6.0
98.85896	1.0
98.98463	3.5
103.05435	1.7
105.07054	7.9
106.04163	3.9
107.08597	64.4
108.08881	1.3
109.10163	20.3
115.05502	1.2
117.03384	35.2
117.06995	2.2
119.06023	1.2
119.08566	6.1
121.06514	8.6
121.10149	96.1
123.08058	1.1
131.04901	1.6
131.08566	3.0
133.10123	2.4
133.75606	0.9
134.03578	4.7
135.04398	2.1
135.08130	1.2
135.10699	1.5
135.11697	21.6
137.05904	1.1
145.02852	49.2
146.07268	4.1
149.02422	1.9
149.05989	15.1
149.09549	1.2
149.13284	10.9
159.08101	1.7
159.11693	7.0
162.03134	3.0
162.06799	1.7
177.05487	26.4
177.09164	12.3
177.12872	10.4
177.16397	100.0
178.16771	1.5
186.05453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03949	1.5
55.05510	13.0
57.07061	2.8
67.05505	7.4
69.07072	33.9
70.79916	2.3
71.08651	1.8
79.05491	19.2
81.07056	29.6
83.08623	15.8
84.46069	1.0
87.36880	1.1
89.03912	1.1
91.05478	7.3
93.07046	39.4
95.08611	58.6
95.54743	1.0
97.10201	5.1
105.07034	4.7
107.08597	61.4
109.10166	23.6
117.03362	2.4
119.06073	1.0
119.08571	2.2
121.06493	1.5
121.10145	77.6
123.11720	1.2
131.08551	1.4
135.11694	22.8
138.08917	1.1
145.02895	5.2
149.06007	2.1
149.13242	12.0
177.05482	2.5
177.09047	1.9
177.16397	100.0
178.16771	1.1
194.55254	1.0
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
53.03941	3.1
55.01876	1.5
55.05516	12.6
57.03417	1.2
57.07071	2.8
58.71002	1.1
65.03941	1.8
65.65565	1.0
67.05246	1.0
67.05512	11.8
69.07072	40.9
71.41679	2.2
74.08974	1.0
74.43627	1.1
74.68525	1.1
77.43027	1.1
79.05496	23.4
81.03413	1.3
81.07059	53.1
83.04990	2.6
83.08215	1.4
83.08630	14.8
88.02206	1.2
89.03915	9.8
91.05482	18.6
93.07046	40.1
95.04955	2.8
95.08611	57.3
97.10178	5.7
98.98476	17.0
103.05460	5.0
105.07047	11.1
106.04156	1.5
107.04974	2.5
107.08601	94.3
109.06532	2.4
109.10159	14.4
115.05459	2.5
117.03390	16.4
117.07024	8.7
119.04929	1.2
119.06049	1.7
119.08588	4.7
121.02853	1.2
121.06531	12.8
121.10149	99.5
131.04962	6.0
131.08588	10.4
133.06447	3.0
133.10092	3.9
134.03654	3.3
134.07314	1.1
135.04424	3.0
135.08058	3.5
135.11694	19.4
145.02852	20.3
145.06479	4.0
146.07260	22.2
147.04428	1.6
147.08041	3.1
149.02327	5.5
149.05986	16.1
149.09627	3.4
149.13274	7.5
159.08023	3.9
159.11693	4.7
162.03116	4.5
162.06792	4.2
177.05478	27.5
177.07698	1.4
177.09131	44.7
177.12817	13.2
177.16391	100.0
178.16805	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.54516	1.2
53.03933	1.5
55.05526	10.2
57.07078	2.1
62.67624	1.1
67.05497	5.5
69.06731	2.3
69.07075	30.4
71.52536	1.8
77.30701	1.3
78.19717	1.2
79.05499	13.4
81.07065	13.1
83.08626	14.8
86.89535	1.3
89.03903	3.4
91.05491	10.2
93.06487	2.3
93.07053	33.6
95.04971	1.2
95.08613	39.2
97.10162	2.3
98.98477	13.6
103.05462	2.3
105.07040	10.7
107.04938	1.4
107.08603	91.7
108.08950	1.6
109.06522	2.0
109.10171	12.7
115.44537	1.3
117.03391	7.0
117.07021	2.5
119.08570	3.5
121.06503	3.4
121.10155	100.0
131.04912	1.9
131.08545	2.5
133.10112	1.3
134.03593	1.5
135.11713	19.9
145.02884	9.1
145.06464	1.7
145.83220	1.3
146.07278	5.7
149.02351	5.8
149.06004	6.9
149.09662	1.9
149.13254	7.0
159.08043	1.8
159.11711	3.0
162.03221	1.7
177.05447	10.6
177.09175	15.8
177.12907	8.2
177.16403	82.9
178.16754	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	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03933	1.7
55.05516	12.4
57.07062	1.7
65.03944	1.4
67.05508	9.5
69.07074	39.4
70.64199	2.4
79.05494	28.3
81.07060	100.0
83.08622	13.0
89.03896	1.6
91.05483	14.4
93.07050	40.2
93.07639	2.1
95.08611	54.3
97.10191	6.9
98.98463	6.2
105.07019	9.2
107.08598	97.6
109.10165	20.6
117.03378	2.0
117.07002	4.3
117.35349	1.1
119.08586	19.8
121.06493	2.0
121.10152	93.7
122.46839	1.2
131.04900	1.3
131.08589	2.8
133.10118	6.2
134.10910	2.3
135.08066	6.6
135.11708	14.0
137.09633	18.4
141.82501	1.3
145.02846	4.0
146.07256	3.5
147.09184	1.9
149.02325	2.0
149.06010	3.3
149.09651	4.3
149.13268	11.4
159.11719	1.9
161.09657	5.7
177.05450	4.8
177.06807	2.5
177.09073	7.3
177.12775	35.0
177.16391	96.5
178.16710	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03939	2.0
55.05515	11.3
67.05516	7.8
69.06691	1.2
69.07071	23.4
69.50655	4.7
69.51070	2.9
70.68849	1.4
74.24433	1.0
79.05499	26.4
81.07063	77.6
83.08621	10.6
86.14068	1.0
91.05479	8.2
93.07050	39.6
93.07643	2.2
95.08614	48.9
95.38362	1.1
97.10177	5.7
102.65211	1.1
102.96487	1.1
105.07034	7.1
107.08606	100.0
109.10164	16.4
119.08566	1.4
121.10155	82.4
135.11697	14.1
149.13277	6.7
177.16403	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1227
Annotation	N-Pivaloylaniline
Peak:m/z	Relative Intensity
53.03946	0.3
55.01873	0.7
56.96563	1.4
57.03429	0.2
59.02164	0.2
66.82942	0.2
67.05511	0.3
69.03436	0.2
69.97675	0.8
70.98136	0.2
72.17113	0.2
74.14169	0.2
79.05495	1.2
81.03414	0.4
81.07055	1.5
83.04963	0.2
85.02900	0.4
88.02219	1.1
88.04040	0.2
89.00767	0.2
91.05476	1.5
93.07041	0.6
95.04972	0.5
95.08628	0.3
98.20879	0.2
98.97581	1.2
103.05493	0.3
105.07034	1.9
106.06541	0.3
107.04998	0.4
107.08562	0.2
108.05253	0.2
109.06516	1.5
111.04443	0.7
115.05476	0.2
116.10706	0.3
116.98617	0.4
118.03660	0.3
118.06561	0.7
118.96774	0.8
119.04939	0.7
119.07320	1.8
121.06486	0.5
122.05960	0.2
123.04422	0.3
126.00774	0.2
132.05280	0.3
132.08081	1.3
132.08926	0.2
133.02817	0.3
133.06514	1.2
133.10129	0.2
134.09654	24.8
134.99683	0.3
135.09961	0.3
136.06155	0.2
136.07585	0.2
137.05975	2.3
141.01245	0.6
146.03163	0.4
147.04404	1.0
150.06393	0.4
150.09125	0.5
151.07565	0.3
154.96402	0.2
160.07607	0.4
160.11176	0.5
161.05962	0.9
161.19934	0.2
162.09128	0.4
163.03899	0.6
163.09889	0.3
167.05563	0.4
173.01271	0.2
177.00803	0.3
177.98035	0.6
178.04793	1.1
178.08997	2.4
178.12268	100.0
179.03387	0.9
179.07034	1.3
179.12634	1.5
179.14137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	N-Pivaloylaniline
Peak:m/z	Relative Intensity
51.54834	0.3
68.62521	0.3
69.54751	0.8
69.55151	1.3
70.59827	0.3
77.92844	0.4
79.05471	0.5
79.42580	0.3
81.07083	0.5
91.05493	0.6
98.20777	0.7
105.07055	0.9
106.06541	0.3
107.08606	0.3
117.07017	1.2
118.06540	5.5
119.07339	6.3
132.08055	0.9
134.09663	48.7
135.09935	0.4
143.35014	0.4
160.11234	0.7
161.05977	0.4
162.09142	1.2
163.09964	0.8
178.12282	100.0
179.12616	1.1
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
51.02385	0.3
53.03946	0.8
55.01875	2.4
55.05519	0.5
56.96568	0.3
57.03445	0.6
58.38529	0.2
59.05008	0.7
62.20969	0.2
65.03944	0.4
67.05515	1.9
68.99780	0.5
69.03435	0.7
69.07082	0.3
70.13857	0.3
71.01373	0.5
71.51389	0.3
73.02921	0.3
74.79077	0.2
77.03944	1.0
79.05496	4.1
81.03423	1.1
81.07055	4.9
83.01353	0.6
83.04989	0.6
84.08161	0.3
85.02924	1.2
89.03934	1.2
91.05485	6.0
93.07043	2.0
95.04968	2.6
95.08611	2.4
97.02901	0.4
98.97594	1.0
103.05470	1.4
105.03394	3.6
105.04497	0.6
105.07036	9.5
107.04948	2.0
107.08614	0.7
108.05759	0.3
109.02889	0.7
109.06511	2.4
109.10168	0.4
111.04466	0.9
115.05463	2.1
117.03392	1.5
117.07042	0.4
119.04948	5.3
119.08580	0.7
121.06507	3.2
121.10228	0.4
122.06795	0.3
123.04436	32.1
123.08034	1.3
129.19742	0.2
131.08617	0.3
133.02856	23.8
133.06491	7.4
133.10098	1.5
134.09662	0.3
135.04427	4.3
135.09998	0.6
135.11705	0.3
136.05203	0.7
137.06009	1.7
137.09634	0.5
146.03676	0.4
147.03252	0.4
147.04420	8.0
149.05981	1.0
151.03908	8.6
151.07545	2.7
151.11157	0.3
158.99632	0.4
161.02390	0.4
161.05989	7.6
161.07266	0.5
161.09634	0.8
161.13229	0.7
177.00644	0.2
179.03401	100.0
179.10478	1.6
179.12607	2.0
179.14319	1.5
180.03795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0341
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02372	0.5
51.21143	0.3
53.03927	0.5
55.01865	0.7
65.03946	0.3
67.05511	0.9
68.41978	0.3
69.14622	0.2
69.63456	1.3
70.63288	0.3
77.03920	0.8
79.05476	1.1
81.03405	0.3
81.07053	0.7
85.02899	0.3
89.03937	1.6
91.05467	1.8
93.07072	0.7
95.04965	1.2
95.08624	0.7
103.05465	0.3
105.03387	2.8
105.07045	1.9
107.04984	0.4
107.08630	0.4
109.02875	0.5
109.06499	0.6
117.03384	1.1
119.04949	2.3
119.08571	1.0
121.10116	0.7
123.04433	34.6
123.08063	0.7
133.02861	24.2
133.06505	1.6
133.10130	0.6
135.04410	3.8
135.11745	0.3
137.05907	0.4
137.09619	0.4
147.04422	3.4
151.03909	8.6
151.07539	0.3
151.09233	0.3
156.86015	0.3
161.05971	2.4
161.09590	0.5
161.13257	0.9
179.03401	100.0
179.10646	0.8
179.14253	0.7
180.03737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
51.02364	2.0
52.55823	1.2
53.03934	4.1
53.89220	1.3
55.01881	9.3
55.05510	4.3
57.03447	1.6
59.27221	1.2
67.05518	7.1
67.73055	1.3
69.03453	2.0
69.43847	9.3
71.01362	2.3
77.03915	3.1
79.05499	42.3
81.03427	7.6
81.06595	2.5
81.07062	47.4
83.01359	7.3
83.04978	6.5
85.02898	10.7
91.05490	25.7
93.07054	16.8
95.04993	8.7
95.08619	9.4
98.20761	2.5
99.00819	2.9
103.05472	13.7
105.03382	2.4
105.04539	1.5
105.07040	84.8
107.04945	5.7
107.08589	2.4
109.02879	3.5
109.06521	29.2
110.06911	1.1
111.04446	12.3
115.05478	11.0
117.07016	4.0
119.04937	3.1
119.06836	1.6
120.07625	1.9
121.06510	12.9
123.04432	3.6
123.08110	7.4
125.02280	1.2
131.04919	2.0
133.06502	65.4
133.10172	1.7
134.09645	3.8
135.04492	1.8
135.10027	15.4
137.06035	1.9
138.03076	1.5
147.04399	6.5
149.06038	6.8
151.03897	2.7
151.07526	10.7
161.06001	72.4
179.03600	6.8
179.07050	100.0
179.12625	37.2
179.14221	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	179.0704
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
53.00311	1.4
53.03933	4.9
55.01876	8.7
55.05494	3.4
57.03439	2.2
57.68855	0.9
61.24850	0.9
65.03936	1.9
67.05515	6.6
69.03436	2.0
70.84722	2.5
71.01350	3.9
77.03915	1.8
79.05499	40.6
79.14312	1.2
81.03420	7.3
81.06596	2.3
81.07064	41.9
83.01352	7.5
83.04972	3.5
85.02907	12.5
91.05488	23.1
93.07056	19.3
95.04988	8.0
95.08612	8.9
99.00816	2.3
103.05473	12.4
105.03387	2.0
105.04528	2.1
105.07040	80.3
107.04970	5.8
107.08576	3.2
109.02884	3.5
109.06526	26.0
111.04448	12.8
115.05463	9.8
117.07045	2.7
118.04128	1.2
119.04927	2.9
121.06516	10.0
123.04439	3.3
123.08083	6.8
125.02389	2.9
127.56633	1.0
131.04900	1.3
133.02859	1.2
133.06503	59.8
134.06903	1.3
135.04408	2.7
135.10017	1.6
137.05986	1.8
138.03123	2.3
143.04948	1.4
143.05992	1.2
147.03384	1.0
147.04427	3.8
149.06013	7.1
151.03964	2.9
151.07565	11.6
153.75327	1.1
153.79506	1.0
156.15944	1.0
160.27341	1.1
161.06000	61.4
162.88779	1.1
179.03575	3.1
179.07053	100.0
179.12526	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	179.0703
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
52.34862	0.4
52.89702	0.4
53.03949	0.7
55.01875	2.9
55.05505	1.3
57.03435	0.6
65.03941	0.8
67.05503	1.8
69.07047	0.8
69.38760	3.4
72.49998	0.4
72.61716	0.4
77.61895	0.5
79.05492	4.2
81.07050	2.4
84.69465	0.4
89.03931	0.5
91.05484	5.6
93.07058	3.2
95.04968	1.6
95.08596	2.9
103.05457	1.8
105.03407	0.7
105.07035	37.9
106.07388	0.4
107.04961	0.6
107.08605	3.6
109.06538	2.7
109.10151	1.3
115.05466	3.4
117.07052	0.8
119.04956	3.8
119.08606	3.9
121.06441	0.9
121.10154	2.4
123.04448	1.4
123.08079	1.9
123.11745	0.4
131.04901	0.6
133.02869	1.3
133.06499	69.6
133.10126	8.3
134.06853	0.8
135.11694	0.7
137.05952	1.3
137.09595	0.7
143.04962	0.7
143.06065	1.5
147.03386	0.8
147.04425	6.9
149.02365	1.0
151.03923	1.6
151.07549	7.4
151.11194	0.9
161.05984	100.0
161.09586	3.5
161.13260	2.9
162.06364	1.4
171.05508	0.6
179.03477	8.5
179.07043	45.5
179.10611	10.8
179.14194	3.1
193.40256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
53.03941	1.7
55.01876	4.0
58.14990	0.4
59.64704	0.4
65.03918	0.7
65.20353	0.5
67.05507	2.3
70.62732	1.0
70.63068	1.0
74.33356	0.5
77.03931	1.1
78.93728	0.5
79.05496	14.3
81.07069	3.4
83.01344	5.0
91.05484	9.3
93.07045	6.8
95.04959	2.4
95.08601	2.2
99.00858	0.6
100.80766	0.4
102.26685	0.5
103.05464	5.7
105.03399	2.0
105.07037	40.7
107.04929	1.2
107.08582	1.2
109.06492	0.7
115.05458	5.8
117.07016	1.2
119.04955	1.5
119.08566	0.8
123.08054	1.3
125.02340	1.2
133.06499	27.6
135.04375	0.8
138.03140	2.0
145.46249	0.5
147.04408	2.3
151.03944	2.8
151.07523	1.5
161.05991	56.1
161.13283	1.1
179.07045	100.0
180.07373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
55.01851	5.5
55.05518	12.5
57.03428	4.3
57.07076	8.4
59.05001	2.4
65.03955	2.1
67.05186	1.8
67.05510	26.4
69.03422	5.2
69.06731	1.8
69.07074	23.6
70.55936	3.7
71.04974	3.0
71.08617	4.5
79.05518	6.1
81.07061	19.6
81.40054	1.1
83.04984	37.8
83.08630	6.2
85.06539	4.6
90.78404	1.2
91.05482	11.9
93.07059	14.9
95.04974	19.6
95.08612	82.2
96.74968	1.4
97.10184	2.2
97.94093	1.3
97.94712	1.5
103.05447	2.1
105.07039	24.0
107.08598	25.3
108.05743	1.4
109.06539	18.7
109.10165	42.1
111.08074	3.5
115.05475	1.2
117.06967	1.5
119.04951	9.0
119.08593	20.0
121.06519	1.6
121.09322	2.3
121.10149	25.8
123.04436	3.6
123.07204	2.6
123.08078	41.1
123.11687	5.7
133.02846	4.5
133.06503	18.1
133.10130	12.6
135.08060	1.5
135.11697	24.1
137.05978	5.6
137.09618	18.3
137.13271	6.8
147.03386	1.7
147.04428	15.0
151.11223	1.4
151.13680	2.6
151.14830	37.1
161.05997	24.4
161.09612	4.5
161.13263	22.0
179.03410	13.6
179.07137	15.3
179.10742	5.8
179.14317	100.0
180.14674	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.44402	2.5
54.11234	2.3
55.01876	19.1
55.05516	26.3
57.03437	17.0
62.54280	2.3
64.63171	2.8
67.05510	16.3
69.03414	8.9
69.07072	15.9
70.49442	6.9
70.49772	3.3
79.05151	2.6
79.05497	33.5
81.03346	2.8
81.07060	39.4
82.59460	2.4
83.04968	5.2
83.08615	4.8
85.06538	4.0
91.05482	42.0
93.07048	48.0
94.07375	4.1
95.04950	10.9
95.08611	35.3
96.08897	2.5
97.06544	4.6
98.98423	2.6
103.05451	5.0
105.07038	53.1
107.08593	61.2
108.08938	6.6
109.06533	56.7
109.10156	11.4
111.08075	3.2
115.05488	3.9
119.04129	3.8
119.04948	47.8
119.08593	36.1
121.10151	73.4
122.10459	6.6
123.04425	13.8
123.08071	36.0
123.10892	5.2
123.11687	4.8
125.09655	28.8
133.02831	4.6
133.06506	19.2
133.10164	34.7
135.11708	32.5
136.05219	5.9
136.12086	3.0
137.05959	4.4
137.09628	4.8
137.13264	7.8
146.03545	3.6
147.04431	57.5
151.07516	12.8
161.05984	40.9
161.13268	87.4
162.48338	2.7
164.04694	3.2
170.57909	2.7
179.03430	21.1
179.07091	57.3
179.08588	6.5
179.10692	11.8
179.14319	100.0
179.16980	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	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
55.01865	4.8
55.05511	7.2
57.03456	7.0
57.03668	1.4
58.24393	1.1
63.00939	1.3
65.03945	2.0
67.05187	1.7
67.05518	26.9
69.03416	1.9
69.07081	6.8
71.04989	4.1
75.24689	1.3
79.05498	25.0
81.07066	79.9
83.04990	6.5
83.08591	3.9
85.06550	6.8
91.05490	31.4
93.07056	33.2
95.04962	5.0
95.08617	70.9
97.06553	14.8
98.21533	3.3
99.08099	7.7
105.07048	34.7
107.08612	19.0
109.06525	6.1
109.10168	7.1
111.08070	4.3
115.05460	2.0
117.07027	2.7
117.43998	1.4
119.04966	6.9
119.08597	48.7
121.10169	16.8
123.08075	8.6
133.06488	2.8
133.10152	33.5
135.11705	32.5
136.05234	2.7
137.09622	3.8
137.13239	1.6
147.04485	10.2
151.07565	7.0
161.05995	5.4
161.13275	87.4
179.03433	4.4
179.07086	12.5
179.10756	4.4
179.14331	100.0
198.13416	1.2
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
53.03951	3.5
55.01886	8.0
55.05275	2.0
55.05516	24.9
56.96556	2.1
57.03442	7.6
57.07077	4.4
59.14981	1.4
65.03944	1.5
67.05509	52.9
69.03430	4.4
69.07078	29.7
69.50372	6.1
69.50792	4.6
71.04984	6.4
78.04805	1.6
79.05502	28.1
79.12745	1.4
81.03407	3.9
81.07063	75.0
83.04996	9.4
83.08629	6.4
85.06551	2.9
90.78816	1.8
91.05497	19.2
91.69553	1.5
93.07052	26.6
95.04967	15.5
95.08614	100.0
95.46341	1.7
97.06528	3.5
103.05464	1.6
105.07050	24.7
107.08591	26.5
109.06515	17.9
109.10165	40.6
111.08100	4.9
117.07009	2.5
119.04977	8.5
119.08587	25.7
121.10156	12.2
123.04443	2.7
123.08086	26.2
123.11708	5.5
133.06479	2.5
133.10146	11.9
135.11673	7.8
137.05951	2.0
137.09618	18.9
137.13272	4.2
139.77010	1.7
147.04407	14.4
149.13260	2.6
151.11252	2.2
151.14830	10.3
161.05995	6.7
161.13278	24.8
179.03403	12.8
179.06737	7.9
179.08501	2.9
179.10680	2.4
179.14330	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	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03947	3.4
53.45720	1.1
55.01859	4.3
55.05283	1.2
55.05516	15.9
56.96558	3.0
57.03429	5.2
57.07064	3.0
58.10035	1.1
65.03933	1.6
67.05510	80.5
67.25851	1.2
69.03438	6.1
69.07071	13.3
71.05009	6.6
71.05325	1.0
71.48042	1.7
79.05494	17.6
81.03401	2.8
81.07062	66.0
83.04974	3.1
83.08618	3.2
85.06537	1.8
91.05488	15.3
93.06493	1.7
93.07047	24.6
95.04974	13.6
95.08614	100.0
97.06523	3.3
105.07032	15.9
107.08595	20.2
107.61655	1.1
109.06546	9.2
109.10164	54.4
117.82034	1.1
119.04958	6.5
119.08588	22.3
121.10142	7.7
123.04416	2.6
123.08079	16.8
123.11730	2.1
133.02859	1.5
133.06497	2.8
133.10144	9.6
135.11736	7.5
136.50992	1.2
137.05965	1.5
137.09619	15.1
137.13263	2.8
147.04373	8.5
151.03935	1.3
151.07393	1.4
151.14842	12.4
161.05994	5.3
161.13280	18.0
179.03429	11.3
179.06628	8.7
179.08339	1.7
179.10692	3.1
179.14314	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01874	0.5
55.05510	0.5
57.07078	2.3
63.02380	0.4
65.03919	1.0
67.05504	0.6
69.03444	0.3
69.07063	0.6
71.12726	0.4
71.13044	0.3
79.05495	3.8
79.17077	0.2
81.03417	0.5
81.07046	0.9
83.04988	4.4
83.08587	0.4
85.02913	0.5
85.06538	0.3
89.03918	12.1
91.05482	2.2
93.03439	0.3
93.07047	2.0
95.04986	2.2
95.08623	0.5
97.06536	2.8
98.97575	2.9
105.06992	0.7
107.04957	5.2
107.08607	1.7
109.06528	0.3
109.67663	0.3
111.04435	0.8
116.98620	1.4
117.03386	17.0
117.06970	0.3
119.04907	0.6
119.08604	0.5
121.06506	1.0
121.10156	2.0
123.08027	0.4
125.06003	5.9
134.99690	0.7
135.04420	33.4
135.11678	0.9
136.04762	0.4
136.07587	4.2
139.03899	0.6
139.11195	0.6
145.02856	22.2
145.03870	1.0
145.10130	1.0
146.03171	0.3
149.02362	0.6
149.06023	0.6
163.03908	100.0
163.11174	7.1
164.04260	0.9
164.07085	2.0
175.56369	0.3
181.05017	2.4
181.08698	1.2
181.12233	3.3
186.05618	0.3
204.37073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
65.03924	1.6
67.05495	1.1
71.10719	0.6
79.05499	3.4
81.07050	1.4
82.04184	0.4
83.04979	0.8
85.02901	1.1
89.03915	11.5
91.05468	1.0
93.03423	0.7
93.07055	1.7
95.04950	1.0
95.08601	0.5
97.06525	0.8
98.97598	5.0
105.04453	0.3
105.07041	0.4
106.90767	0.4
107.04959	4.7
107.08595	2.3
111.04457	0.5
111.08068	0.5
116.98595	1.8
117.03383	18.2
117.50212	0.4
121.06477	0.5
121.10143	2.2
123.11671	1.0
125.06004	0.9
134.99670	0.5
135.04419	29.9
135.11676	0.9
139.03955	0.7
139.11166	0.6
145.02856	20.0
145.03870	0.7
145.10127	0.7
149.60481	0.4
159.04529	0.4
163.03909	100.0
163.14801	2.0
164.04221	0.5
181.04947	6.5
181.08649	0.5
181.15900	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03930	0.6
60.52708	0.4
63.02366	0.4
65.03915	0.6
67.05495	0.5
69.15401	3.8
79.05502	3.5
81.07053	1.4
83.04974	0.4
89.03924	12.8
91.05489	1.8
93.07037	1.1
95.04974	1.5
98.97594	8.3
104.55428	0.4
105.07028	0.6
107.04954	4.7
107.08610	0.9
111.04414	0.7
116.98621	3.8
117.03389	17.3
121.06506	0.6
121.10181	0.9
123.08134	0.5
125.06059	0.6
134.99673	0.8
135.04425	30.3
135.08044	1.1
139.03946	0.8
145.02858	20.6
145.03896	0.8
145.10196	0.4
163.03912	100.0
163.11179	1.8
164.04321	0.9
181.04985	1.5
181.08577	1.0
181.12242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01850	0.5
55.05494	1.0
57.03415	0.6
57.07074	1.8
57.07322	0.3
59.04999	2.3
67.05520	2.0
69.03416	1.5
69.07073	2.5
70.02717	1.3
71.04995	0.3
79.05493	4.8
81.07063	4.6
83.04962	2.0
83.08604	0.5
87.81813	0.3
89.03907	0.7
91.05485	2.9
93.07047	12.7
95.04964	1.6
95.08610	10.0
97.06541	1.6
98.20848	0.5
98.97590	4.6
103.05479	0.3
105.07021	2.5
107.04945	1.6
107.08598	23.3
109.10134	1.4
111.04435	0.4
111.08094	1.1
116.97240	0.9
116.98639	2.7
117.03382	0.8
117.06990	0.6
119.08598	2.0
121.06522	3.9
121.10146	13.4
122.07253	0.9
123.04459	0.5
123.08070	2.9
124.05186	0.6
125.06010	4.6
134.99666	0.6
135.04431	1.9
135.08112	0.7
135.11696	32.1
136.05272	0.5
137.13272	0.7
138.06732	1.6
139.07547	6.7
139.98796	0.4
140.00189	0.4
145.02817	1.1
145.10133	7.5
152.06165	0.6
153.06960	1.0
153.09114	1.5
153.12721	1.9
157.06093	0.4
163.03906	6.3
163.11185	25.7
166.06294	0.5
181.04947	0.7
181.06424	5.4
181.12239	100.0
182.12589	1.3
192.30370	0.3
193.19826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03973	1.7
53.38895	0.8
54.18018	0.8
55.01900	1.4
55.05545	2.9
56.96589	1.7
57.03465	1.7
57.07079	27.9
58.08179	0.7
59.05042	2.3
65.03970	2.3
67.05548	3.5
69.03481	2.2
69.07069	4.0
70.03808	3.3
71.05010	1.0
71.95293	0.7
77.03917	0.7
77.79196	0.8
79.05500	15.0
81.03422	6.5
81.07057	7.3
83.01336	0.7
83.04987	53.3
85.06586	0.9
86.70268	0.7
89.03922	13.1
89.04413	1.0
91.05478	6.8
93.07057	11.5
93.07568	1.1
95.04973	18.6
97.06535	28.3
98.20863	1.3
98.97591	23.2
98.98195	1.5
103.05526	1.5
105.07052	4.2
107.04971	9.2
107.08603	10.6
107.94901	0.9
109.06586	1.3
111.04475	1.5
112.07652	0.9
116.98627	11.0
117.03387	17.6
117.04143	1.4
117.07080	2.2
119.08591	3.2
121.02894	0.7
121.06525	3.6
121.10149	12.2
122.24978	0.7
123.08106	1.4
125.06001	83.1
130.07858	1.7
134.99715	3.1
135.04419	31.4
135.05434	1.7
135.08060	4.1
135.11699	5.5
137.05904	0.9
137.09644	1.2
139.03954	0.9
145.02858	21.7
145.03986	1.5
145.10144	9.6
149.02332	1.6
149.05975	3.6
153.09106	0.9
158.01242	1.2
163.03918	100.0
163.07545	2.8
163.11188	84.5
164.04335	1.6
181.05011	6.8
181.06425	1.5
181.07176	0.8
181.08714	5.0
181.12234	36.4
182.12668	0.8
201.74828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03955	1.3
54.27505	0.8
55.01874	2.0
55.05499	2.5
57.07079	30.5
59.04991	3.0
67.05488	1.7
69.03416	1.3
69.07058	3.9
69.29453	6.2
69.29860	1.3
71.04993	1.2
79.05064	1.1
79.05499	9.5
81.03423	6.7
81.07042	3.9
83.04985	57.7
85.06527	0.9
85.66187	0.8
91.05449	2.1
93.07035	6.7
95.04969	19.2
97.05933	1.8
97.06538	32.2
98.97570	2.3
98.99833	0.8
105.07023	3.9
106.62157	0.9
107.04958	2.4
107.08601	7.0
109.10210	0.8
112.07587	0.9
116.98624	2.0
117.07038	1.7
119.08577	3.1
121.06509	1.8
121.10143	9.5
125.06000	94.4
125.75510	0.9
130.07802	1.8
135.11699	3.6
141.97766	0.8
145.10126	9.1
163.11191	100.0
164.11513	1.4
164.64973	0.8
177.94888	1.0
181.06024	2.5
181.12238	41.2
191.05727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01869	1.3
55.05496	1.8
57.06802	1.9
57.07078	31.6
59.04988	3.1
66.47148	0.9
67.05517	1.5
69.03439	1.0
69.07051	3.6
69.16713	1.8
69.17123	8.2
71.04989	1.2
79.05501	9.1
81.03415	6.8
81.05836	0.8
81.07064	5.0
83.04983	60.3
85.06564	1.4
91.05465	2.1
93.07051	6.2
95.04964	20.4
95.08567	0.9
97.06533	34.6
98.20718	2.0
98.97596	5.0
105.07043	5.5
107.04942	2.7
107.08593	8.8
115.68824	0.9
116.98634	1.9
117.06967	1.8
119.08575	2.8
121.06495	2.3
121.10157	12.8
123.08032	1.2
125.05998	97.9
126.06225	1.4
130.07814	1.9
134.99683	1.4
135.11699	5.9
145.10143	9.5
163.11186	100.0
164.11433	1.0
181.12239	43.5
182.12465	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03942	1.4
55.01872	1.8
55.05502	3.1
57.07080	31.8
59.04989	3.6
67.05505	1.2
67.34736	0.9
69.03427	1.6
69.07053	4.6
69.73594	4.3
79.05490	8.3
81.03423	7.9
81.07051	3.7
83.04987	61.5
91.05485	3.6
93.07078	4.8
95.04973	18.0
97.06538	31.5
105.07056	4.6
107.04964	2.1
107.08604	9.8
117.07030	2.6
119.08603	1.9
121.06504	2.6
121.10146	11.7
123.08065	1.6
125.06002	100.0
135.11690	4.9
145.10124	10.6
163.11191	98.2
164.11555	1.2
181.06161	1.9
181.12241	40.2
190.33781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
55.01870	0.6
55.05519	5.9
57.03422	0.6
57.07070	2.2
58.02967	21.7
67.05511	13.2
69.07075	51.4
70.06582	1.8
71.08644	0.6
72.08116	0.7
74.06058	0.8
79.05509	3.5
81.07069	12.2
83.03648	0.6
83.04977	1.7
83.08627	4.7
84.04501	1.1
84.08150	7.2
91.05482	2.9
93.07053	7.3
95.04964	1.1
95.08613	4.5
97.06534	3.4
98.06071	1.5
98.09692	2.3
98.97602	3.3
99.97916	1.6
100.07636	6.3
105.07032	9.2
107.08607	13.1
109.06530	1.6
109.10168	35.6
112.07586	1.0
114.08413	0.9
114.09174	11.6
116.98625	1.7
117.99026	0.6
119.08553	0.8
121.10146	1.0
123.11707	5.6
124.11210	0.7
126.09162	11.9
126.12823	1.2
128.10730	1.0
131.08662	0.7
133.10139	28.1
135.11702	13.9
136.00143	0.5
137.12111	0.5
137.13202	0.6
138.12794	17.1
140.10645	0.5
140.14302	0.6
147.11714	3.9
151.11189	9.7
152.26805	0.6
153.12770	9.1
154.15892	1.6
164.04239	0.6
164.14403	2.8
165.12746	2.0
174.44774	0.6
182.15419	100.0
183.15732	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	3-[(1E,4R)-4-Hydroxycyclohex-2-en-1-ylidene]-2-oxopropanoate
Peak:m/z	Relative Intensity
53.03932	1.6
55.01870	0.8
65.03931	3.7
67.05508	24.7
69.03428	1.0
70.96296	0.7
71.01353	6.2
71.09235	1.1
73.02917	1.0
75.99178	0.6
79.05499	10.5
81.03431	0.8
81.06591	1.0
81.07063	16.3
85.38223	0.6
91.05486	64.7
93.03426	1.4
93.07043	2.4
94.04188	0.8
95.04977	10.1
99.00801	1.7
100.12776	0.7
103.05468	1.4
105.03391	0.9
107.04952	1.1
109.06529	11.1
119.04949	100.0
121.06512	4.8
123.04451	3.5
123.08110	0.7
125.06027	0.8
133.02870	2.2
135.04408	1.1
137.05986	26.8
137.09550	0.7
139.07578	1.0
140.04694	0.9
147.04419	52.1
155.07085	1.3
165.05486	17.1
183.06529	10.8
183.08037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02375	1.4
53.03953	20.6
54.14186	0.7
55.01884	3.5
55.05500	1.2
57.07078	0.9
64.67696	0.7
65.03946	8.1
67.05510	16.6
68.71492	0.7
69.03427	2.2
69.07083	1.5
71.04993	2.7
71.52584	0.8
77.03934	4.0
79.05489	2.1
80.02634	1.4
81.03419	15.2
81.07059	3.1
82.04211	1.9
83.04971	1.4
84.56015	0.7
85.06574	1.2
91.05499	2.0
93.03416	2.0
93.07034	1.0
94.04205	0.7
95.04973	100.0
95.08624	4.7
95.14295	0.7
96.05739	0.8
97.02893	2.5
97.06534	28.5
98.98470	1.3
99.04475	1.2
105.03408	2.7
105.04510	6.3
107.08586	1.5
108.02120	3.7
109.02884	0.9
109.06512	1.0
109.10150	1.1
110.03657	1.7
111.04454	2.2
112.05262	1.0
119.08562	1.3
121.03980	1.0
121.10128	1.1
123.04436	83.3
123.08061	1.5
123.11739	1.6
124.05272	2.0
125.02387	5.2
125.05974	4.7
127.07560	89.5
136.01582	1.4
137.06018	1.4
137.07916	2.9
137.09689	1.3
139.07596	1.3
140.04688	31.4
141.05458	0.7
151.03966	3.8
151.04984	1.0
153.05481	1.7
154.02657	0.8
155.07042	27.1
158.44284	0.7
165.04480	1.0
165.07509	2.0
165.09100	1.4
168.04221	1.0
183.06534	7.9
183.13757	1.6
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 isovanillate
Peak:m/z	Relative Intensity
51.02383	1.0
53.03715	0.8
53.03954	15.9
55.01872	4.1
55.70578	0.5
61.38605	0.6
65.03958	3.9
66.05466	0.6
67.05508	9.7
69.03428	1.1
70.86796	0.5
71.04992	0.5
71.46933	1.0
71.47261	0.7
77.03933	4.5
79.05501	1.1
81.03440	3.4
81.07063	2.0
83.04991	0.8
86.62094	0.5
91.05478	1.8
93.03397	0.7
93.07045	1.6
95.04975	100.0
95.08604	1.8
97.02921	1.3
97.06520	1.2
98.98458	1.4
99.00842	0.6
99.04479	1.0
105.03405	1.8
105.04514	9.2
105.05166	1.0
105.07021	1.0
108.02084	0.8
109.02918	1.1
109.06484	1.2
109.10127	0.7
110.03695	1.0
111.04460	0.9
119.04959	1.4
119.08562	0.8
121.04031	0.8
123.04437	98.2
124.07596	1.5
125.02360	5.6
125.06026	3.0
127.07584	0.8
133.02902	1.1
137.05998	2.6
137.09651	1.6
138.37738	0.6
139.07530	1.0
140.04697	36.1
147.04404	0.8
151.03908	1.0
153.01866	0.9
153.05492	1.7
153.06801	0.5
155.07043	34.4
160.07912	0.6
165.05505	1.5
165.09113	1.2
178.71423	0.6
182.40210	0.6
183.06551	10.8
183.10056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1017
Annotation	Dihydroconiferyl alcohol
Peak:m/z	Relative Intensity
52.73114	0.7
53.03959	5.0
55.01872	3.3
55.05513	9.6
56.82374	0.7
56.96571	2.2
57.03426	2.6
65.03943	3.9
67.05509	47.2
67.73311	0.7
69.03427	3.2
69.07085	1.9
69.97359	3.9
71.01358	7.1
71.04982	2.6
72.08172	1.1
73.02911	1.6
77.03951	1.2
79.05498	26.0
81.03442	3.8
81.07066	27.4
83.04989	2.5
83.08619	9.4
84.04493	1.0
84.96015	0.9
85.02915	2.7
87.04488	1.0
91.05487	76.4
92.05833	0.8
93.03413	1.9
93.07054	17.6
95.04974	38.9
95.08614	9.1
97.02905	1.5
97.06525	3.4
98.97580	2.0
98.98486	3.4
99.00844	1.0
99.04474	1.4
101.00859	1.7
101.95092	0.9
103.05508	1.5
105.03414	7.1
105.04492	1.9
105.07040	5.4
107.04944	3.1
107.08605	2.7
108.05704	0.8
109.06525	20.1
109.10165	11.7
111.04440	2.0
111.08078	1.1
113.02351	0.8
117.07022	1.2
119.01958	2.7
119.04950	100.0
119.08583	11.8
120.05289	1.0
121.06510	6.9
121.10197	3.9
123.04435	21.3
123.08068	9.1
124.05241	1.1
125.02339	0.9
125.05982	2.1
127.07539	1.1
129.07004	0.8
133.02853	2.2
133.06500	0.8
135.04478	2.0
137.02333	1.6
137.05984	31.4
137.09628	15.1
139.07542	19.1
140.04698	5.1
142.03505	1.9
147.04420	53.6
147.08049	2.5
147.11659	0.8
151.03922	0.9
151.07582	1.3
153.07001	0.8
155.07004	5.4
155.08965	0.8
155.10646	2.1
164.07111	2.0
165.05484	20.2
165.09111	13.8
183.02934	1.3
183.06537	12.5
183.08130	2.5
183.10155	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32093	0.4
53.28232	0.4
70.03961	1.0
70.04372	0.6
73.86964	0.3
82.99840	6.1
89.49618	0.4
101.00888	58.5
101.95050	1.2
102.00945	0.7
102.96874	0.5
115.71538	0.3
119.01929	100.0
120.02002	2.1
124.02473	5.4
125.02623	0.4
128.73164	0.3
137.02959	13.9
142.03511	28.1
143.01920	1.3
143.03633	1.3
160.04559	3.7
161.02966	16.2
162.03043	0.5
179.04022	14.5
184.04582	0.6
188.78058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1173
Annotation	8-Hydroxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
53.03946	2.5
55.05505	3.4
57.03439	8.6
57.07080	1.5
65.03948	0.8
65.31583	0.7
67.05502	10.7
68.24380	0.7
69.03428	1.5
69.07070	6.9
69.77058	3.7
70.55910	0.6
71.04987	2.0
73.02924	0.8
79.05492	23.9
81.07054	100.0
83.04971	2.0
85.02885	0.9
85.06565	1.4
86.09711	1.6
91.05468	4.6
93.07043	47.7
95.04977	3.0
95.08604	22.7
97.06526	6.6
97.10149	1.0
105.07003	3.8
107.04952	2.2
107.08559	4.8
109.06506	1.0
109.10160	11.5
111.04453	1.2
111.08099	1.9
111.11719	2.2
121.06498	2.5
121.10146	46.9
121.96114	0.7
123.08101	0.7
123.11695	14.0
125.05991	12.4
125.09626	1.0
129.07030	1.2
131.08623	1.1
135.01920	0.7
137.09656	0.8
139.07527	4.7
139.11180	22.5
142.07790	1.5
149.09615	4.9
157.06532	0.7
157.08966	0.8
157.10083	4.0
166.31958	0.6
167.07089	0.9
167.10675	14.2
170.10881	1.0
185.02783	1.2
185.08165	1.3
185.11731	36.5
185.13181	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	185.1174
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
55.05511	3.0
57.03446	8.2
57.07061	1.8
67.05511	8.7
69.07076	7.6
70.79398	1.7
75.04531	1.0
79.05495	11.5
81.07063	100.0
83.04963	0.8
91.05507	1.6
93.07050	22.6
95.04988	0.7
95.08613	14.0
97.06537	2.4
97.10170	0.7
102.94990	0.7
105.07054	2.2
107.05000	0.9
107.08602	1.6
109.10157	5.7
111.08105	1.0
111.11742	2.1
117.03383	1.4
119.08504	1.1
121.09244	0.7
121.09410	0.4
121.10153	25.1
123.11714	27.3
125.05984	6.9
128.06245	0.8
129.07025	1.1
129.47501	0.7
139.07532	0.8
139.11194	15.2
141.07014	0.8
142.07828	2.2
143.08606	1.5
149.09570	0.9
152.97873	0.8
156.09377	1.1
157.10143	3.0
167.10696	24.8
170.10960	2.2
185.11809	1.6
185.13350	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	185.1174
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03950	1.5
55.01865	1.4
55.05519	4.4
57.03440	6.9
57.07074	1.0
67.05507	9.9
69.03441	1.3
69.07078	6.2
69.37076	6.3
71.04998	1.9
73.02925	0.9
73.96854	0.7
79.05504	21.0
81.07059	100.0
83.01347	1.5
83.04992	1.5
89.03926	2.5
89.96716	0.8
91.05485	4.4
93.07049	48.1
94.46494	0.7
95.04946	1.6
95.08611	18.2
97.06540	5.7
97.10164	1.3
98.21564	1.6
102.96864	0.8
104.75419	0.7
105.07026	2.6
107.04939	1.4
107.08589	3.8
109.10162	11.7
111.04459	1.6
111.08112	1.8
111.11732	1.7
117.03419	4.2
119.08610	1.1
121.06494	2.1
121.10152	46.9
123.08108	0.9
123.11719	12.5
125.05996	11.4
125.09644	0.8
129.07011	0.8
129.30667	0.7
131.08569	3.2
137.09599	1.2
139.07515	1.3
139.11195	18.9
142.07782	1.4
143.08562	1.1
145.02846	7.2
149.09634	5.5
157.10176	1.3
158.06032	2.0
167.10684	16.9
167.14449	0.7
170.10847	1.1
172.86902	0.7
185.02710	1.0
185.11749	37.0
185.13242	2.9
186.05507	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	185.1537
Annotation	Speciosin J
Peak:m/z	Relative Intensity
53.03937	4.3
55.01875	3.2
55.05513	58.2
57.03440	6.3
57.06830	2.0
57.07079	23.3
59.04990	2.9
59.58100	1.3
65.03930	1.5
67.05508	23.5
69.03415	1.4
69.07071	100.0
71.04992	10.3
71.08639	12.3
71.52420	2.2
73.06549	4.6
79.05489	17.4
81.06590	2.6
81.07059	37.8
81.17098	1.3
83.04982	8.6
83.08621	87.2
84.08128	3.2
85.02902	3.1
85.06556	6.7
85.10162	3.5
85.33144	1.2
89.72109	1.4
91.05453	4.6
93.07045	54.4
95.04950	3.5
95.08614	29.4
97.06537	30.6
97.10166	15.5
99.08084	2.8
101.05996	2.4
102.96865	4.0
105.07042	2.0
107.08595	37.9
108.10608	1.5
109.09471	1.8
109.10162	18.4
111.08083	19.7
114.05525	1.4
115.07578	4.5
120.97958	1.6
121.10146	23.6
123.11688	5.8
125.05998	3.0
125.09662	9.1
125.13269	5.6
128.06233	3.2
129.07018	3.3
129.09106	1.5
130.06424	2.0
138.98915	2.7
139.07573	7.0
139.11208	1.9
142.02594	1.4
142.07780	4.0
143.08575	5.5
149.13264	69.9
157.06485	2.6
157.10159	3.8
167.14328	23.1
170.10936	2.6
184.60680	1.7
185.02672	5.7
185.04355	1.6
185.05972	3.8
185.08121	3.3
185.09610	5.8
185.13226	9.8
186.14954	2.4
186.22189	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	187.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
67.05505	0.7
69.03436	0.5
69.07074	0.4
69.83725	0.4
69.84136	0.7
71.04986	0.4
79.05507	0.3
81.03412	0.3
81.07061	1.2
83.08631	0.2
84.04514	0.3
85.06565	0.3
88.02221	0.4
90.78901	0.2
91.05491	0.9
95.04929	0.3
95.08607	0.7
107.08606	0.4
109.02858	0.2
109.10153	0.5
115.05478	0.9
116.06228	1.0
117.07024	0.2
127.05443	0.3
128.06221	0.6
129.07004	0.7
131.08557	1.2
133.10062	0.3
141.07014	0.9
144.05713	30.5
145.06230	0.4
145.10103	0.6
146.03143	0.3
151.11218	0.2
155.04915	0.5
155.06059	0.3
156.05763	0.3
157.06503	0.3
159.08080	3.0
159.11728	0.4
169.12367	0.2
172.05205	31.7
173.05673	0.5
187.07552	100.0
188.03864	0.3
188.07899	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0755
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
67.05502	0.7
69.03413	0.3
71.09264	0.5
81.03400	0.5
81.07053	1.4
82.15704	0.3
91.05470	0.6
109.10123	0.4
111.07309	0.3
111.08012	0.2
113.73048	0.2
115.05445	0.7
116.06203	0.4
122.76822	0.3
123.11731	0.8
129.07021	0.5
131.08585	0.5
141.07011	0.7
144.05707	31.5
145.06116	0.4
145.10115	0.3
153.46201	0.2
155.04924	0.4
159.08057	1.3
172.05194	31.5
173.05573	0.4
187.07542	100.0
188.06271	0.2
188.07890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0754
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
52.44244	0.1
57.15047	0.1
71.52355	0.2
91.05475	0.5
105.42231	0.1
110.97329	0.2
114.86884	0.1
115.05431	1.2
116.06248	0.9
128.06219	0.2
129.07005	0.7
131.08554	0.5
141.06973	0.5
144.05707	32.8
145.06198	0.2
155.04874	0.4
155.06021	0.2
156.05721	0.5
157.06508	0.3
159.08070	1.7
172.05196	38.5
173.05539	0.5
187.07545	100.0
188.07863	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0755
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
67.05535	0.3
68.60706	0.3
79.93446	0.3
81.03410	0.3
81.07045	0.7
88.02214	0.4
89.95393	0.3
91.05469	0.8
92.22257	0.3
93.07037	0.3
95.08605	0.3
98.20770	0.5
105.07025	0.4
115.05450	1.1
116.06231	1.0
117.07021	0.3
123.08075	0.3
128.06224	0.7
129.07024	0.9
131.04912	0.4
131.08580	0.9
141.06981	0.8
143.04761	0.3
144.05707	32.2
145.10123	0.5
155.04938	0.5
155.06056	0.3
156.05707	0.3
159.08066	3.2
159.11647	0.6
172.05197	31.6
173.05640	0.5
187.07545	100.0
188.07845	1.3
202.71910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0755
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.05503	0.4
67.05494	0.8
69.03417	0.9
73.95570	0.3
81.03417	0.9
81.07047	0.6
84.04499	0.6
85.02899	0.6
88.02206	1.3
88.96707	0.3
91.05480	1.3
93.07055	0.3
95.08606	1.2
99.77849	0.3
105.07021	0.7
115.05442	1.0
116.06235	0.9
117.07100	0.5
119.08616	0.4
123.11749	0.3
126.22539	0.3
127.03890	0.5
128.06187	0.3
129.07001	0.9
131.04967	0.4
131.08583	1.8
133.10075	0.3
141.06993	1.3
143.08569	0.6
144.05710	30.9
145.06442	0.4
145.10107	2.8
155.04887	0.5
157.10159	0.4
159.08067	2.8
159.11679	1.5
170.08025	0.3
172.05202	30.8
172.12531	0.4
173.05551	0.5
184.46426	0.4
187.07552	100.0
187.14819	1.8
188.07899	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0756
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.05516	0.3
64.80251	0.2
67.05501	0.4
69.03435	0.6
69.29082	1.7
71.08635	0.2
81.03413	0.5
81.07050	0.3
83.08631	0.2
84.04520	0.3
85.02944	0.3
88.02218	0.8
91.05499	0.9
95.08612	0.4
97.65198	0.2
105.07053	0.2
109.02848	0.3
109.10168	0.2
115.05443	1.5
116.06261	0.7
117.07011	0.4
122.38455	0.2
128.06242	0.4
129.07019	0.8
131.04854	0.2
131.08565	1.7
141.06970	0.8
143.08546	0.2
144.05714	35.4
145.06367	0.4
145.10188	1.2
146.06026	0.9
155.04935	0.7
156.05701	0.4
157.06471	0.4
159.08063	2.6
159.11722	0.4
169.06427	0.2
172.05205	39.1
173.05565	0.6
174.05592	0.2
187.07558	100.0
187.14880	1.3
188.07903	1.3
201.27863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0755
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.68187	0.2
67.05503	0.3
69.03418	0.6
72.97285	0.2
81.03415	0.6
81.07040	0.4
84.04510	0.3
85.02914	0.5
88.02221	1.1
90.75816	0.2
91.05482	1.0
95.08630	0.3
98.20753	0.8
105.07052	0.5
107.08585	0.2
107.60878	0.2
109.93342	0.2
115.05472	1.0
116.06242	0.9
117.06983	0.3
119.08576	0.4
125.45721	0.2
128.06248	0.5
128.67809	0.2
129.06990	0.9
131.04913	0.3
131.08577	1.7
141.07007	1.1
143.04947	0.3
144.05708	31.5
145.06294	0.4
145.10121	1.5
146.06015	1.6
155.04910	0.5
155.06042	0.3
156.05696	0.4
157.06516	0.3
158.11017	0.2
158.66156	0.2
159.08069	3.0
159.11684	0.7
172.05200	37.4
173.05623	0.3
174.05525	0.3
187.07549	100.0
187.14816	1.7
188.07997	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0755
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.05513	0.3
67.05508	0.3
68.99768	0.3
69.03410	0.9
69.07060	0.6
71.00327	0.6
71.00668	0.3
71.04996	0.5
79.05469	0.5
81.03399	0.9
81.07056	2.4
83.08618	0.4
84.04491	0.3
84.08150	2.2
85.02892	0.7
85.06533	0.3
86.09714	2.1
88.02229	1.3
90.84252	0.3
91.05476	0.8
93.07042	0.4
95.08600	0.4
103.78494	0.2
109.02860	0.5
109.10130	0.7
111.08051	0.3
112.01572	0.5
115.05432	0.7
117.07019	0.5
123.11700	0.3
127.03900	1.7
128.06258	0.5
129.07024	0.5
129.10248	1.4
131.04932	0.4
131.08553	0.9
137.35954	0.2
141.05489	0.6
141.06961	1.0
142.35721	0.2
143.01927	0.3
144.05708	32.2
146.03238	0.3
151.11244	0.3
155.03386	1.9
155.04807	0.5
155.06041	0.3
159.08066	2.0
159.11626	0.4
162.71567	0.2
169.04961	0.3
172.05196	30.6
173.05592	0.3
187.07547	100.0
188.07912	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.3
53.03947	0.7
55.01870	0.7
55.05505	1.1
56.96570	0.4
57.03437	0.4
59.04999	0.4
61.02920	0.6
65.03936	0.3
67.05498	2.0
69.03426	2.5
69.07073	2.6
70.06579	0.3
71.01362	0.3
71.04989	2.2
71.51440	0.6
79.05499	3.4
81.03415	2.3
81.07058	12.0
83.04984	0.8
83.08611	0.8
84.04504	0.9
84.08146	3.5
85.02916	1.2
85.06551	0.7
85.08489	0.3
86.09707	2.4
88.02213	2.3
91.05483	36.2
92.05799	0.3
93.07042	2.2
94.04184	0.6
95.04976	3.5
95.08611	1.4
97.02890	1.0
97.06538	1.1
97.10227	0.3
98.97617	0.6
99.04443	0.7
99.08111	0.4
101.05992	0.4
105.03381	0.3
105.07034	0.9
107.08597	1.7
109.02895	1.2
109.06522	17.5
109.10170	2.4
110.07321	0.4
111.08049	0.7
111.11721	0.8
113.05992	0.4
113.15054	0.2
115.05481	1.2
116.06244	1.0
117.07022	0.8
119.04919	0.6
119.08611	0.3
121.10156	0.4
123.08073	12.0
123.08974	0.6
123.11701	1.8
127.03951	2.2
127.07576	1.0
128.06203	0.3
129.07005	1.2
129.10220	1.0
131.04933	0.7
131.08566	1.7
133.10118	0.6
137.05963	1.9
139.11143	1.0
141.05450	0.7
141.06973	1.3
143.01880	0.5
143.04877	0.3
144.05707	32.8
145.06271	0.3
145.10046	0.6
151.07585	1.5
151.11148	1.2
155.03389	1.7
155.04666	0.4
157.06075	1.0
157.12248	0.8
158.07300	0.3
158.99622	0.3
159.06851	0.5
159.08060	5.1
159.11624	1.2
161.02902	0.3
166.06596	1.3
169.08618	22.1
169.12242	0.9
172.05196	32.2
172.08795	0.7
173.00835	0.6
173.05589	0.5
175.07170	0.6
187.04132	2.2
187.07544	100.0
187.14960	0.8
188.07986	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.3
53.03947	0.7
55.01870	0.7
55.05505	1.1
56.96570	0.4
57.03437	0.4
59.04999	0.4
61.02920	0.6
65.03936	0.3
67.05498	2.0
69.03426	2.5
69.07073	2.6
70.06579	0.3
71.01362	0.3
71.04989	2.2
71.51440	0.6
79.05499	3.4
81.03415	2.3
81.07058	12.0
83.04984	0.8
83.08611	0.8
84.04504	0.9
84.08146	3.5
85.02916	1.2
85.06551	0.7
85.08489	0.3
86.09707	2.4
88.02213	2.3
91.05483	36.2
92.05799	0.3
93.07042	2.2
94.04184	0.6
95.04976	3.5
95.08611	1.4
97.02890	1.0
97.06538	1.1
97.10227	0.3
98.97617	0.6
99.04443	0.7
99.08111	0.4
101.05992	0.4
105.03381	0.3
105.07034	0.9
107.08597	1.7
109.02895	1.2
109.06522	17.5
109.10170	2.4
110.07321	0.4
111.08049	0.7
111.11721	0.8
113.05992	0.4
113.15054	0.2
115.05481	1.2
116.06244	1.0
117.07022	0.8
119.04919	0.6
119.08611	0.3
121.10156	0.4
123.08073	12.0
123.08974	0.6
123.11701	1.8
127.03951	2.2
127.07576	1.0
128.06203	0.3
129.07005	1.2
129.10220	1.0
131.04933	0.7
131.08566	1.7
133.10118	0.6
137.05963	1.9
139.11143	1.0
141.05450	0.7
141.06973	1.3
143.01880	0.5
143.04877	0.3
144.05707	32.8
145.06271	0.3
145.10046	0.6
151.07585	1.5
151.11148	1.2
155.03389	1.7
155.04666	0.4
157.06075	1.0
157.12248	0.8
158.07300	0.3
158.99622	0.3
159.06851	0.5
159.08060	5.1
159.11624	1.2
161.02902	0.3
166.06596	1.3
169.08618	22.1
169.12242	0.9
172.05196	32.2
172.08795	0.7
173.00835	0.6
173.05589	0.5
175.07170	0.6
187.04132	2.2
187.07544	100.0
187.14960	0.8
188.07986	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.88698	0.3
59.70340	0.3
60.43798	0.3
70.73502	1.1
74.53084	0.3
79.22468	0.4
82.80338	0.3
84.04497	0.8
90.96723	0.4
91.05482	3.4
91.18603	0.4
103.05499	0.6
108.55492	0.4
115.05466	3.9
117.05795	0.9
117.07018	4.3
118.06550	59.2
119.06916	0.5
122.00224	0.4
132.08104	0.6
142.06522	5.0
143.07317	9.1
144.04442	0.9
144.08095	24.3
146.06018	100.0
147.06366	1.0
155.06003	0.5
160.07588	0.6
169.15622	0.3
170.06021	8.6
188.07074	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	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85134	0.4
67.02537	0.4
70.73409	0.6
70.73764	0.8
80.49968	0.4
82.06583	0.4
84.04519	1.5
91.05481	2.7
103.05437	0.5
106.55694	0.4
115.05458	4.7
117.05779	1.2
117.07020	3.5
118.06553	57.3
126.12076	0.4
132.08127	0.7
142.06532	5.2
142.08670	0.8
143.07309	9.8
144.04510	0.8
144.08095	22.2
145.08417	0.5
146.06020	100.0
147.06349	1.3
152.22647	0.5
155.06018	0.9
160.07620	0.9
166.46558	0.4
170.06024	8.0
188.07076	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	188.0919
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
55.05507	1.0
56.05029	1.9
56.96568	2.8
57.03438	1.9
59.04996	2.2
60.04516	1.4
61.02935	8.7
67.05527	0.7
69.03416	1.6
69.07066	1.4
70.02953	1.9
70.06595	0.6
71.04995	1.9
71.51115	0.7
75.04476	0.6
77.59669	0.5
79.11275	0.5
81.03442	0.8
82.06578	3.6
83.04993	4.3
84.04512	100.0
84.08129	0.6
85.02912	17.8
86.06087	0.7
87.04471	6.8
96.04514	0.7
97.02911	1.1
98.06082	0.8
98.97596	2.8
100.07624	2.5
101.06021	0.6
104.01299	0.6
105.07012	0.7
110.01273	0.9
110.06042	2.5
111.04453	1.6
115.05469	1.3
116.05814	0.7
116.98635	0.7
118.06554	1.4
119.01820	2.1
126.05527	5.8
128.02342	2.1
128.07097	5.4
129.05496	1.8
142.03233	0.6
142.06519	0.7
142.08664	1.7
144.05759	0.7
144.08092	0.8
145.06053	2.6
146.06030	2.9
146.08183	1.7
160.08424	1.5
160.09654	0.6
161.04875	0.9
170.06026	3.6
170.08168	1.1
173.05643	2.4
173.09377	0.6
174.06795	1.1
176.05232	2.4
177.00690	0.6
185.05704	0.7
188.03870	0.9
188.07858	6.8
188.09267	13.1
189.09180	1.8
189.12741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	Bullatenone
Peak:m/z	Relative Intensity
53.66882	0.4
54.97253	0.3
56.69838	0.3
69.07059	0.4
70.91907	0.9
71.80210	0.3
79.05492	0.5
81.07052	0.7
84.04491	0.5
85.02895	0.9
87.00814	0.4
91.05467	0.9
95.08628	1.0
103.05458	1.5
104.81855	0.4
105.07051	2.4
107.08628	0.5
109.10094	0.4
115.05448	3.4
116.06242	0.9
117.07030	0.8
119.08581	2.3
122.70607	0.4
124.01217	0.4
128.05386	0.6
128.06232	5.8
129.07008	16.1
130.07768	0.8
131.04924	6.6
131.08539	2.2
133.10153	2.1
142.04153	1.3
143.04933	5.2
143.08524	0.6
144.05699	4.0
145.06488	4.9
145.10167	0.5
146.07281	3.3
147.04385	0.6
147.08035	0.8
147.11691	1.4
153.13103	0.4
155.04900	0.5
155.06039	1.7
156.09317	0.4
157.06485	7.2
158.07277	26.9
159.04420	20.8
159.07953	1.3
161.05962	1.4
161.09613	1.7
161.13266	0.5
171.11768	1.0
173.05968	0.8
174.06773	76.1
175.07306	1.3
189.09116	100.0
189.16405	1.9
190.09523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37043	0.8
55.05500	2.7
59.04998	1.0
62.01987	0.7
67.05482	0.9
68.04210	0.9
69.03417	3.6
69.07067	1.8
69.78149	4.3
71.05006	0.9
79.05503	1.9
80.46266	0.8
81.07060	1.9
84.04494	1.0
85.06537	1.1
91.05479	6.2
93.07044	3.0
95.04940	1.3
98.21507	1.2
100.04784	0.8
103.05475	1.2
105.07040	12.4
107.08591	3.3
115.05457	2.4
117.07034	2.8
119.08585	16.3
128.06235	8.6
129.07019	23.4
130.07791	4.2
131.04962	1.5
131.08560	7.2
133.06488	3.1
133.10129	4.3
135.08051	1.0
141.06981	6.6
142.07683	1.0
143.08565	6.4
144.09299	2.0
145.06488	2.8
145.10129	15.9
146.07246	1.7
147.08057	7.7
147.11694	14.3
155.05975	1.2
155.08557	3.1
156.09354	44.6
157.06508	13.1
157.09801	1.0
158.07277	3.2
159.04465	2.2
159.08020	4.0
159.11693	11.8
160.05214	1.2
160.08890	1.0
161.05981	3.4
161.09613	2.5
161.13269	1.9
162.05684	0.9
171.04286	0.9
171.11703	55.9
174.06822	14.4
174.10382	7.7
189.05464	3.2
189.09180	29.3
189.12755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.3
59.05016	0.9
69.03424	1.0
69.07077	0.5
69.74029	2.3
79.05487	0.9
81.07058	0.9
83.04972	0.7
85.76903	0.4
91.05492	10.9
91.51786	0.4
93.07047	1.2
95.05011	0.7
98.21491	0.8
103.05475	0.7
105.07040	8.8
107.08624	2.2
115.05457	1.5
116.06255	3.3
117.07042	2.3
119.08591	13.2
121.06500	0.5
128.06236	0.8
128.50706	0.4
129.07018	3.8
130.07784	0.5
131.08574	100.0
132.08945	0.9
133.06502	0.6
133.10133	1.7
135.08124	0.6
141.06938	0.5
142.07739	0.4
143.08574	2.3
145.06522	0.5
145.10147	4.7
146.10922	0.6
147.08076	3.9
147.11700	32.4
148.12074	0.5
156.09348	3.8
159.08046	0.7
159.11659	0.7
160.08772	0.5
161.05998	0.7
161.09637	1.1
161.13254	2.2
171.11707	5.1
174.06764	1.2
174.10385	1.5
189.05489	0.6
189.09146	2.2
189.12750	26.1
203.77734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.6
59.04990	1.5
61.33551	0.9
67.05495	2.2
69.03411	3.5
69.07047	3.4
71.18425	1.0
71.18764	1.8
72.12193	0.8
79.05513	5.2
81.07063	9.3
83.04966	2.5
85.02884	0.9
85.71944	0.9
91.05482	14.7
93.07044	5.9
95.04998	4.9
95.08630	2.1
97.06539	1.6
105.06322	2.0
105.07035	39.6
107.04942	1.2
107.08589	12.7
109.06516	3.9
115.05460	2.2
116.06236	1.1
117.07026	6.4
119.04926	2.1
119.08586	41.5
120.85945	0.8
121.06532	5.6
121.10136	1.6
128.06200	4.6
129.07004	8.4
130.07761	2.0
131.07600	1.9
131.08574	35.6
132.05687	1.0
133.06490	2.2
133.10150	12.3
135.08041	1.0
141.06964	3.6
142.07784	2.8
143.08557	15.9
145.06520	2.1
145.09056	1.7
145.10127	20.1
146.07317	2.2
146.10881	5.5
147.08054	23.7
147.11693	55.8
155.08607	1.7
156.09355	25.9
157.06470	1.6
158.07301	1.6
159.08023	3.5
159.11681	5.7
160.08833	3.5
161.05972	1.8
161.09630	8.7
161.13261	19.2
171.04433	1.3
171.11690	39.4
174.06795	3.8
174.10376	6.7
189.05476	1.9
189.09187	11.1
189.12744	100.0
190.13022	1.0
196.41835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05309	0.8
55.05514	8.4
57.07066	1.0
67.05514	7.1
69.07075	9.0
71.51896	0.9
79.05506	4.8
81.07065	20.5
83.08601	3.9
91.05490	11.2
93.07049	8.3
95.08617	38.6
97.10176	4.0
103.05485	1.3
105.07043	34.6
107.08607	14.9
109.10170	8.4
115.05410	1.7
117.07015	1.6
119.08595	60.0
121.10149	7.2
126.76248	0.8
128.06183	1.1
129.07024	4.3
131.04875	1.5
131.08531	4.6
133.10146	41.4
143.08563	1.4
144.05740	1.1
145.06511	1.6
145.10141	4.7
146.10948	1.8
147.08096	1.1
147.11703	27.7
156.09315	1.3
157.06468	1.5
158.07286	7.7
159.04433	6.4
159.11671	1.4
160.12532	2.5
161.13263	14.2
174.06792	24.2
174.14104	1.6
189.05440	1.4
189.09126	27.4
189.12692	5.5
189.16403	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	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
66.60578	0.3
70.58296	0.7
73.45405	0.2
89.03932	0.9
98.21455	0.3
116.04978	2.7
144.03386	0.5
144.04439	4.0
155.59561	0.3
162.05511	100.0
163.05829	1.0
190.05003	48.0
191.05322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01859	1.9
55.05509	4.0
57.03426	1.2
57.07057	1.4
60.47990	0.5
61.58720	0.6
65.03930	1.2
67.05516	5.0
69.03436	3.8
69.06747	0.8
69.07072	11.2
71.04994	2.8
71.52132	1.0
77.03909	1.8
79.05497	26.1
81.03399	1.1
81.07067	7.5
83.04987	4.3
83.08606	1.5
85.06531	1.6
90.01302	0.5
91.04915	0.9
91.05483	18.8
93.07046	20.5
95.04976	6.2
95.08614	8.1
97.02840	1.0
97.06530	7.4
102.15296	0.6
103.05469	5.0
105.04514	0.8
105.07034	36.8
107.04958	31.5
107.08594	18.2
109.06516	6.0
109.10165	8.5
109.60214	0.6
111.08067	0.8
115.05450	2.4
116.06256	1.9
117.07020	22.9
118.04169	0.9
119.07800	1.1
119.08585	11.9
121.06506	29.9
121.10148	14.0
123.08066	2.4
123.11694	2.4
128.06178	1.4
129.07008	4.1
130.04225	0.7
130.07797	8.6
131.04916	3.4
131.08566	24.7
131.09546	1.4
133.06493	2.4
133.10136	25.5
135.04385	1.0
135.08055	10.1
135.11690	9.4
143.08556	3.9
145.06487	2.6
145.10127	100.0
146.06001	0.7
146.10443	1.4
147.04416	0.9
147.08049	1.0
147.11696	8.7
148.05159	1.7
148.08855	0.9
149.05966	2.0
149.09622	5.8
149.13281	4.8
155.08577	1.5
158.07312	2.1
158.10881	3.0
161.09714	0.8
161.13194	0.7
163.07520	4.7
163.11185	33.5
163.14815	2.2
168.09198	1.5
173.09636	9.1
173.13258	14.0
176.04665	1.3
191.03453	1.6
191.07008	9.8
191.10706	28.9
191.14317	27.7
191.17964	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	191.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
53.97442	0.5
55.01848	2.6
55.05519	5.2
57.03412	1.1
57.07047	0.8
61.34961	0.5
65.03938	0.7
67.05509	5.6
69.03435	4.0
69.06737	0.8
69.07069	10.8
71.04977	2.6
77.03905	1.1
79.05496	22.6
81.03400	1.0
81.07066	7.8
81.97587	0.5
83.04993	4.3
83.08611	1.2
85.06536	1.2
91.05484	16.8
93.07048	21.3
95.04973	7.7
95.08614	6.5
97.02908	0.9
97.06535	7.5
97.10146	0.7
103.05470	3.9
105.04500	1.5
105.07037	38.1
107.04960	33.4
107.08592	16.1
109.06528	4.8
109.10167	6.5
111.08053	0.7
115.05444	3.4
116.06231	2.0
116.07029	0.7
117.07026	18.9
118.04166	0.9
119.04941	0.6
119.08592	11.3
121.06510	33.6
121.10138	12.3
123.08062	2.6
123.11691	2.1
127.34907	0.6
128.06158	1.1
129.06995	2.6
130.07785	10.0
131.04948	3.5
131.08574	24.1
133.06467	2.4
133.10143	25.1
135.04468	0.6
135.08055	11.1
135.11687	9.3
137.09570	0.7
143.08559	4.3
145.06477	1.6
145.10129	100.0
146.10532	1.4
147.08000	1.3
147.11682	8.7
148.05121	1.2
148.08804	0.8
149.05952	2.9
149.09641	4.5
149.13263	4.2
155.08595	1.7
158.07283	1.5
158.10939	1.8
160.08769	0.7
161.09595	0.7
163.07564	3.3
163.11194	33.9
163.14844	1.6
168.09259	0.9
173.06010	1.0
173.09642	7.4
173.13255	12.8
176.04672	1.3
191.03384	1.4
191.07060	6.0
191.10710	30.0
191.14317	25.1
191.16119	1.2
191.17909	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	191.1067
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03942	2.7
53.97442	0.5
55.01848	2.6
55.05519	5.2
57.03412	1.1
57.07047	0.8
61.34961	0.5
65.03938	0.7
67.05509	5.6
69.03435	4.0
69.06737	0.8
69.07069	10.8
71.04977	2.6
77.03905	1.1
79.05496	22.6
81.03400	1.0
81.07066	7.8
81.97587	0.5
83.04993	4.3
83.08611	1.2
85.06536	1.2
91.05484	16.8
93.07048	21.3
95.04973	7.7
95.08614	6.5
97.02908	0.9
97.06535	7.5
97.10146	0.7
103.05470	3.9
105.04500	1.5
105.07037	38.1
107.04960	33.4
107.08592	16.1
109.06528	4.8
109.10167	6.5
111.08053	0.7
115.05444	3.4
116.06231	2.0
116.07029	0.7
117.07026	18.9
118.04166	0.9
119.04941	0.6
119.08592	11.3
121.06510	33.6
121.10138	12.3
123.08062	2.6
123.11691	2.1
127.34907	0.6
128.06158	1.1
129.06995	2.6
130.07785	10.0
131.04948	3.5
131.08574	24.1
133.06467	2.4
133.10143	25.1
135.04468	0.6
135.08055	11.1
135.11687	9.3
137.09570	0.7
143.08559	4.3
145.06477	1.6
145.10129	100.0
146.10532	1.4
147.08000	1.3
147.11682	8.7
148.05121	1.2
148.08804	0.8
149.05952	2.9
149.09641	4.5
149.13263	4.2
155.08595	1.7
158.07283	1.5
158.10939	1.8
160.08769	0.7
161.09595	0.7
163.07564	3.3
163.11194	33.9
163.14844	1.6
168.09259	0.9
173.06010	1.0
173.09642	7.4
173.13255	12.8
176.04672	1.3
191.03384	1.4
191.07060	6.0
191.10710	30.0
191.14317	25.1
191.16119	1.2
191.17909	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16352	0.9
55.01867	1.1
55.05516	5.0
67.05509	8.5
69.03416	4.2
69.07082	7.9
69.72983	5.5
71.04996	13.1
79.05496	6.9
80.52223	1.0
81.07075	9.7
82.35437	0.8
83.04975	1.2
83.08601	1.9
85.06551	8.5
91.05489	11.5
93.07059	14.7
95.04972	5.5
95.08621	15.6
97.06547	11.3
99.08054	0.9
105.07040	21.4
107.04930	2.2
107.08604	31.3
109.06541	11.1
109.10165	13.9
111.08073	3.8
115.05396	1.1
117.07010	4.0
119.08574	9.5
121.06510	3.9
121.10155	26.8
123.08064	4.9
129.06966	2.2
131.08580	21.0
133.10139	37.5
135.08066	20.5
135.11710	2.7
137.09624	3.1
143.08548	2.5
144.09300	1.0
145.10138	12.4
147.08073	1.7
147.11702	16.4
149.09613	9.5
149.13277	16.2
158.10983	6.6
163.11246	2.6
163.14847	1.4
173.13269	28.8
173.14719	1.9
187.51723	1.1
191.06989	2.4
191.14319	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
53.03938	2.1
55.01868	2.7
55.05523	8.7
57.03423	1.7
57.07067	3.0
59.04976	3.3
59.97418	1.3
65.03927	2.3
67.05505	11.4
67.72416	1.4
69.03426	5.8
69.07072	17.3
71.04990	14.4
79.05501	14.5
81.06661	1.8
81.07063	20.6
83.04971	5.3
83.08611	4.0
85.06558	7.4
91.05487	25.7
93.07052	25.6
95.04968	10.9
95.08614	26.7
97.06532	11.5
97.10160	3.6
101.13078	1.2
102.04678	1.5
103.05471	18.7
105.07037	37.1
107.04946	4.7
107.08606	47.0
109.06522	19.8
109.10158	26.3
111.08085	3.1
115.05468	7.8
116.06243	2.4
117.07023	12.2
118.04163	4.8
119.04916	3.1
119.08585	21.7
121.06502	8.3
121.10151	38.5
123.08078	23.9
123.11717	7.3
129.07004	4.5
130.04173	2.6
130.07799	2.6
131.04956	16.9
131.08574	47.0
132.05762	1.9
133.02867	2.9
133.06544	2.6
133.09126	3.0
133.10138	61.1
135.08060	42.0
135.11681	17.2
137.09604	1.8
143.08560	5.1
144.09364	2.6
145.06517	8.5
145.09081	1.7
145.10132	19.8
145.20525	1.4
146.05919	1.4
147.04446	1.6
147.08072	2.8
147.11702	26.0
148.05220	10.8
148.08813	2.0
149.05957	2.0
149.09634	12.2
149.13278	17.8
158.10933	12.6
159.08072	5.2
160.05148	3.5
160.08846	1.6
161.09645	2.8
163.07555	20.0
163.11188	2.3
163.14868	6.3
168.09157	6.2
173.06012	6.6
173.09698	2.3
173.11772	2.7
173.13277	51.1
176.04662	3.5
176.11974	2.0
191.03352	2.9
191.07033	32.0
191.09203	10.3
191.10939	11.3
191.14316	100.0
191.17947	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
55.05522	3.6
56.18262	0.6
57.03428	0.8
59.05000	0.7
65.03949	0.8
67.05505	3.4
69.03439	5.2
69.07081	4.6
71.04994	2.4
71.05534	0.8
71.05865	1.4
79.05500	4.2
81.07059	6.7
83.04987	2.7
83.08613	1.4
85.06548	4.3
91.05485	12.4
93.07046	7.8
95.04986	2.1
95.08612	8.2
97.06541	8.2
99.08109	0.9
103.05489	0.9
105.07037	24.0
107.04904	0.9
107.08600	14.7
109.06507	2.2
109.10162	4.1
111.08107	1.2
115.05468	1.1
116.06255	1.1
117.07031	3.7
117.39788	0.6
118.07778	1.0
119.08598	9.4
121.06541	3.3
121.10148	9.4
123.08088	3.9
123.11681	1.5
129.07045	3.3
130.07762	0.8
131.04927	1.5
131.08580	26.8
133.10138	100.0
135.08063	7.5
135.11739	2.4
141.06960	0.7
143.08546	4.9
144.09351	2.5
145.09073	0.5
145.10130	13.5
147.11696	8.7
149.09618	7.3
149.13271	7.1
158.10922	7.9
161.13245	1.1
163.07518	0.9
163.11104	1.5
163.14812	2.9
171.11679	1.1
173.13271	45.6
173.58519	0.7
174.13622	0.8
176.04741	1.0
191.07043	3.8
191.10660	2.2
191.14322	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03937	0.6
55.05516	3.3
57.07066	1.1
67.05497	5.4
69.03426	5.3
69.07069	5.4
70.69204	1.3
71.04995	4.3
79.05492	4.2
81.07059	6.3
83.04972	1.3
83.08619	0.6
85.06551	2.6
88.28510	0.4
91.05479	6.7
93.07043	8.2
95.04966	2.4
95.08615	5.9
97.06524	2.9
103.05472	1.1
105.07035	15.2
107.04974	1.4
107.08597	23.4
109.06518	5.7
109.10158	12.1
111.08094	1.1
113.17677	0.4
115.05448	1.1
117.06998	2.6
118.07817	0.8
119.08592	5.7
121.06506	2.0
121.10145	18.2
122.07307	1.9
123.08060	2.9
123.11694	0.6
129.07016	0.7
130.04144	0.5
131.04939	0.8
131.08568	10.7
131.98108	0.4
133.10133	100.0
134.10416	0.7
135.08041	10.5
135.11662	2.4
137.09618	15.9
143.08533	2.3
144.09399	0.8
145.06471	1.0
145.10106	4.8
147.11694	5.8
149.09637	3.1
149.13258	14.3
158.10910	4.7
163.07596	0.7
163.14810	3.2
173.05986	1.4
173.09663	0.6
173.13277	16.9
191.07024	2.2
191.10698	1.6
191.14314	31.7
191.17957	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
52.67136	1.0
53.03937	2.4
54.50092	0.9
55.01881	1.1
55.05516	8.3
57.07084	1.3
67.05521	5.2
67.05796	1.0
69.03437	21.1
69.07072	15.0
69.66187	3.4
69.66598	2.7
71.05003	2.1
79.05498	14.3
81.07058	8.7
83.04979	4.6
83.08615	1.9
85.06537	2.6
91.05486	26.7
93.07053	13.4
95.04972	2.6
95.08611	9.8
97.06517	3.2
99.50182	1.0
103.05453	3.3
105.07038	75.7
107.04977	2.2
107.08606	25.9
109.06522	8.0
109.10146	1.9
111.08100	3.7
115.05434	2.2
116.06228	1.6
117.07023	9.8
118.07830	1.0
119.08588	100.0
121.06490	4.1
121.10145	19.1
123.08080	8.0
129.07028	3.2
130.07805	2.3
131.08571	23.5
132.09337	2.4
133.09251	1.5
133.10146	14.5
135.08058	17.8
135.11681	3.1
143.08578	4.1
145.10130	18.8
147.07959	1.4
147.11696	46.4
149.09627	51.8
149.13249	5.9
150.10393	1.7
158.10907	6.7
160.04988	1.7
161.09644	1.1
163.07497	1.4
163.11191	1.1
163.14839	2.2
168.09160	3.4
173.13287	23.2
191.07019	2.4
191.09360	2.9
191.10718	3.5
191.14319	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05495	4.5
57.03420	1.2
57.07061	1.4
59.04992	1.7
61.20988	1.1
67.05510	7.1
69.03432	1.9
69.07076	7.8
69.49794	7.2
70.79413	1.3
71.04980	4.6
79.05507	8.2
81.07071	9.4
83.04980	1.6
83.08617	3.1
85.06530	3.9
91.05498	17.2
93.07051	12.2
95.04963	4.6
95.08603	8.2
97.06540	7.0
99.08117	1.1
103.05493	1.9
105.07042	37.6
107.08604	21.0
109.06537	14.4
109.10173	13.6
109.48330	1.1
111.08049	1.2
116.06226	2.3
117.07040	5.4
119.07825	1.4
119.08609	19.5
121.06483	4.3
121.10156	15.0
123.08104	7.2
123.11684	4.2
129.07018	4.3
130.07877	1.5
131.08575	47.6
133.10143	100.0
135.07117	1.8
135.08058	18.3
135.11697	3.4
143.08585	7.2
144.09378	2.6
145.10135	22.4
147.11707	26.0
149.09657	6.8
149.13278	10.0
150.10393	2.8
158.10910	12.9
163.07571	1.6
163.11223	2.6
163.14824	4.4
168.09210	1.4
173.13281	57.1
191.10709	4.3
191.14323	52.2
191.16075	1.7
198.79926	1.1
212.78448	1.5
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	Unknow
Peak:m/z	Relative Intensity
53.60082	1.3
55.05509	3.3
58.38625	1.4
67.05513	8.1
69.03438	3.7
69.07076	10.4
69.91904	5.9
70.88773	1.3
71.04987	5.6
77.03905	1.7
79.05498	6.5
81.07072	8.5
81.20432	1.3
83.04979	2.2
83.07730	1.4
83.08607	3.0
85.06556	4.2
91.05489	17.3
93.07033	12.3
95.04974	9.8
95.08629	10.4
97.06536	8.0
103.02160	2.1
105.07042	43.4
107.08600	20.8
109.06523	18.2
109.10159	15.6
111.08087	2.0
114.05476	3.0
115.05516	1.7
117.07012	4.9
119.08591	27.1
121.06475	3.7
121.10132	15.9
123.08073	6.9
123.11744	5.2
129.07014	3.7
130.07806	2.1
131.08577	37.1
133.10144	100.0
135.07143	2.1
135.08075	23.5
135.11711	1.7
143.08560	7.2
144.09337	2.3
145.10136	19.6
147.11707	34.1
149.09599	10.3
149.13274	13.4
158.10931	11.6
163.11180	2.2
163.14845	3.6
173.13284	55.5
191.07074	3.3
191.10789	2.0
191.14333	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03925	0.8
55.05495	2.6
57.07066	1.9
67.05492	2.8
69.03436	4.3
69.07074	4.3
70.47379	1.6
71.05000	1.9
79.05488	4.2
81.07070	5.9
83.04956	2.8
83.08630	1.0
85.06546	1.5
91.05482	9.4
93.07021	6.4
95.04963	0.8
95.08615	6.2
97.06541	4.7
99.08077	1.0
103.05467	1.1
105.07039	24.5
107.08600	15.9
109.06463	1.7
109.10155	1.7
116.06187	1.0
117.06999	2.1
119.08593	8.4
121.06535	0.9
121.10148	8.9
123.08060	4.2
123.11691	1.0
129.06993	2.9
131.08583	24.8
133.10135	100.0
135.08087	5.8
143.08562	4.1
144.09340	1.5
145.10120	8.8
147.11714	6.4
149.09616	3.3
149.13260	6.0
151.43959	0.9
158.10902	8.4
163.11256	0.9
163.14827	1.5
173.13274	40.0
191.14317	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.9
57.03429	0.7
59.54116	0.7
61.92274	0.7
64.67728	0.6
67.05506	3.7
69.03451	3.4
69.07072	4.5
69.35178	5.7
71.04989	2.2
77.03990	0.7
78.99076	0.7
79.05492	4.0
81.07059	7.1
83.04976	2.1
83.08618	0.8
85.06548	2.6
85.76683	0.7
91.05482	8.8
93.07042	8.2
95.04980	2.6
95.08602	13.6
97.06528	9.3
102.62769	0.6
105.07033	25.9
107.08592	14.2
109.06515	2.9
109.10155	3.4
111.08086	1.6
117.07020	3.2
118.07845	0.8
119.08584	7.6
121.06496	4.1
121.10151	12.9
123.08046	4.3
129.07050	1.7
130.07814	0.7
131.04974	1.5
131.08568	25.3
133.10135	100.0
134.10457	1.0
135.08064	7.0
135.11649	3.5
138.79677	0.8
143.08537	3.8
144.09343	1.4
145.10109	9.5
147.11697	8.7
148.08736	0.8
149.09628	5.0
149.13252	6.3
158.10901	6.2
163.11197	1.3
163.14816	4.4
167.17015	0.8
171.11641	1.1
173.13269	40.5
176.04672	1.3
191.07060	2.6
191.14311	38.9
192.14626	1.0
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
51.81546	0.8
53.03936	2.4
55.01868	1.4
55.05517	7.0
57.03408	1.1
57.07071	1.4
67.05508	7.2
69.03434	23.3
69.07070	7.2
69.69518	5.5
73.17947	0.8
77.03913	1.4
77.24273	0.7
79.05012	1.2
79.05492	33.4
81.07057	34.3
83.04986	11.0
83.08615	1.8
85.06540	2.7
91.05482	13.7
93.07047	12.8
95.04942	2.7
95.08619	5.7
97.06532	1.8
103.05442	1.0
105.04547	0.8
105.07038	17.0
106.04166	0.7
107.04953	23.8
107.08596	56.6
108.09363	0.9
109.06516	4.2
109.10156	7.5
111.08058	1.1
115.05392	1.1
117.07013	2.8
118.07778	1.2
119.06064	0.8
119.08582	6.6
120.09505	1.0
121.06511	7.7
121.10148	17.7
122.07275	3.0
123.08061	3.5
129.06987	1.5
131.08553	10.3
133.10135	100.0
134.19566	0.8
135.08051	8.5
135.11691	3.5
136.08876	1.5
137.09616	23.2
143.08585	3.1
144.09418	1.4
145.10117	5.0
147.11690	5.4
149.09650	4.6
149.13263	13.0
153.56334	0.8
158.10901	5.1
163.14864	2.8
173.13274	17.2
191.07025	2.3
191.14314	61.0
213.25551	0.8
214.79971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44012	0.3
53.03934	0.4
55.01870	3.4
55.05502	1.2
57.07079	0.3
59.05006	0.3
60.67500	0.2
64.06534	0.3
67.05481	1.2
69.03425	3.1
69.07066	11.8
69.38761	2.0
70.26214	0.3
71.04986	0.4
77.03923	0.4
78.49971	0.2
79.05485	2.1
81.07037	1.6
83.04980	1.6
83.08592	0.3
85.06526	0.3
91.05470	3.8
93.07040	9.9
95.04944	0.7
95.08594	3.9
97.06526	1.9
103.05445	0.4
105.07024	3.4
107.04929	0.4
107.08586	9.1
109.06519	1.8
109.10175	1.6
111.08070	0.3
115.05435	0.6
117.07002	1.5
119.08585	3.3
121.06504	13.8
121.10136	7.3
123.08057	2.3
129.07021	0.4
131.04900	0.3
131.08562	5.1
133.10143	6.3
135.08044	7.7
135.09012	0.5
135.11685	2.9
135.76465	0.3
137.09618	1.1
140.53564	0.3
143.08542	1.3
145.06468	0.8
145.10112	2.9
147.11685	19.3
149.09616	4.1
149.13254	6.6
150.10405	0.5
158.10921	2.6
161.09602	5.1
162.10361	0.4
163.07590	0.6
163.11162	1.4
163.14828	1.6
173.13258	11.8
176.11931	2.0
191.07001	1.2
191.14299	100.0
192.14638	1.0
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	2.4
55.01863	2.9
55.05497	3.2
57.03428	2.1
57.07073	1.9
59.04995	2.8
65.03938	2.1
67.05510	12.4
67.56973	1.5
69.03416	5.2
69.07061	6.5
71.05002	11.7
76.20486	1.8
79.05495	12.0
81.07056	14.1
83.04961	2.6
83.08598	3.3
85.06525	6.7
91.05471	20.5
93.07056	16.8
95.04964	7.3
95.08169	1.5
95.08632	16.2
97.06532	7.3
97.90469	1.8
103.05450	6.2
105.06332	1.8
105.07035	35.8
105.21210	1.6
107.04940	3.7
107.08600	30.1
109.06520	57.4
109.10159	51.9
115.05495	3.5
116.06223	1.7
117.07010	9.7
119.08598	12.8
121.06495	7.0
121.10159	20.8
121.64987	1.5
123.08083	14.1
123.11739	4.0
129.06990	5.2
130.07770	2.4
131.04918	4.3
131.08574	46.4
133.10135	100.0
135.08060	56.8
135.11716	5.1
143.08589	5.0
145.10123	20.6
147.07933	1.9
147.11697	7.1
149.09628	12.5
149.13330	10.0
150.10350	2.3
154.98297	1.9
158.10910	12.5
163.07512	3.9
163.11110	2.5
163.14798	3.4
168.09155	2.5
173.09660	1.8
173.13274	60.1
176.04674	3.4
191.03333	2.5
191.07050	11.5
191.09232	1.9
191.10780	9.0
191.14317	82.8
191.17960	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.82692	1.5
54.66452	1.7
55.05510	9.0
55.65200	1.5
57.07073	3.9
63.15524	1.7
65.29192	1.5
67.05510	11.4
69.07074	27.6
73.21060	1.5
79.05498	9.5
81.07056	15.1
83.04973	2.3
83.08627	10.8
88.37743	1.6
91.05486	9.6
93.07056	32.4
95.08614	62.6
97.10165	7.5
98.75027	1.5
103.05500	2.1
105.07052	12.4
107.08604	47.1
109.10165	37.3
117.07011	3.7
118.06573	1.9
119.08587	3.5
121.10153	62.5
123.08038	3.0
123.11707	6.8
131.04956	4.0
131.08595	8.9
133.10127	12.6
135.08063	3.9
135.11702	48.9
143.08511	2.2
145.06444	1.7
145.10172	3.8
147.11693	2.9
149.09648	1.9
149.13258	14.3
160.05087	1.8
160.08931	1.8
163.07423	1.7
163.14908	2.0
168.09261	1.9
173.13289	9.8
191.03419	2.4
191.06856	7.7
191.09360	3.5
191.10760	4.4
191.14331	25.3
191.17966	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
55.05513	10.0
57.07097	2.2
65.35550	1.3
67.05505	9.0
68.54700	1.0
69.07072	30.7
76.02026	1.0
79.05491	8.0
81.07047	10.2
83.08625	10.4
91.05482	4.6
93.07054	32.2
95.08617	58.1
97.10174	6.4
100.63613	1.0
101.39573	1.1
105.07005	5.6
107.08607	38.3
109.10165	28.6
111.08817	1.0
111.11726	1.9
114.67336	1.1
119.08568	2.2
121.10153	54.0
123.11716	4.8
133.10114	2.0
135.11700	44.7
135.12727	2.2
149.13275	12.0
160.20177	1.2
178.59436	1.0
191.17963	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
50.76221	0.8
53.03923	0.9
55.05512	7.1
57.07074	1.1
63.95657	0.9
67.05493	5.5
69.07070	19.1
70.44138	1.5
70.44495	2.2
73.50009	0.6
75.83462	0.7
77.76157	0.8
79.05505	5.8
81.07063	8.1
83.08619	8.0
90.77103	0.7
91.05464	2.9
93.07049	26.0
95.08611	43.3
96.08190	0.8
97.10210	4.4
105.07050	4.1
107.08599	29.8
109.10161	17.0
111.11745	1.6
119.08563	1.6
121.10150	42.0
123.11707	3.5
131.08533	1.2
133.10141	1.6
135.11694	34.4
149.13269	7.0
149.94839	0.9
163.14827	1.7
173.13289	0.9
191.17953	100.0
192.18306	1.6
209.97318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.80919	0.7
55.05510	7.3
57.07068	1.3
60.48407	0.7
67.05511	6.5
69.07072	20.7
69.15872	5.1
69.16295	3.0
79.05487	6.7
81.07059	7.5
82.37631	0.8
83.08632	8.2
86.06046	0.9
88.59535	0.8
91.05481	3.3
93.07047	26.5
95.08614	49.3
97.10188	4.7
105.07025	3.1
107.08595	30.9
107.09316	1.7
109.10161	21.0
109.10928	1.0
111.11720	1.9
119.08575	1.3
121.10148	43.5
123.11711	3.9
131.08606	0.9
133.10126	2.5
135.08104	1.0
135.11694	36.1
136.12059	1.1
142.08548	0.7
149.13272	8.5
159.42924	0.9
163.14793	0.9
172.26666	0.8
173.13297	1.2
176.22685	0.9
182.35097	0.7
185.18846	0.9
191.06931	1.1
191.10738	1.9
191.14325	2.8
191.17955	100.0
192.17920	1.0
205.60704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1385
Annotation	DEET
Peak:m/z	Relative Intensity
55.01880	0.3
58.14375	0.2
60.96539	0.2
61.58506	0.2
67.05511	0.4
69.03403	0.2
69.42906	0.3
69.43313	1.1
79.05495	0.4
80.05857	0.2
86.63934	0.2
91.05493	1.2
93.07013	0.3
95.04949	0.5
96.04450	0.2
98.97594	0.3
100.36671	0.2
103.05502	0.4
105.07031	0.8
106.06546	0.7
107.08603	0.2
108.08906	0.4
109.02892	0.2
115.05450	0.3
118.06554	0.6
119.04958	0.8
119.08607	0.2
121.06481	0.5
129.07092	0.2
130.06566	0.2
131.04921	0.2
132.04399	0.3
132.08090	0.8
132.08965	0.3
132.95837	0.7
133.02797	0.2
133.06485	0.4
133.08873	1.9
134.10472	0.3
136.07524	0.3
137.06059	0.2
146.06017	3.0
146.09605	0.4
147.04395	0.6
148.11221	21.7
149.11391	0.2
150.96872	0.6
154.47525	0.2
158.09521	0.2
160.05103	1.1
161.05957	0.7
161.12001	0.3
162.05495	0.2
164.07108	0.2
168.59334	1.2
174.05519	0.3
174.12822	0.7
176.10703	0.4
177.11488	0.4
180.04533	0.2
191.59575	1.9
192.06573	0.8
192.13844	100.0
193.04950	0.5
193.14192	0.6
212.44986	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	trans-o-Hydroxybenzylidenepyruvate
Peak:m/z	Relative Intensity
53.00306	2.0
53.03955	6.2
54.17353	0.5
55.01868	2.4
65.03951	5.4
67.05508	9.3
69.03450	1.3
71.01366	3.0
71.30856	0.9
77.03930	1.7
79.05070	1.1
79.05502	14.8
81.03415	3.1
81.07067	8.6
91.05489	100.0
93.03397	1.3
93.07046	10.2
95.04977	7.3
97.06551	0.5
99.00805	0.9
103.05479	17.7
105.03407	2.3
105.04514	1.8
105.07024	2.9
107.04952	1.5
109.02894	11.1
109.06520	5.1
114.14391	0.6
119.04953	83.8
121.05670	1.1
121.06519	17.9
123.04465	4.2
127.03985	0.7
129.03380	0.7
129.83543	0.7
131.04948	3.1
133.02850	1.3
133.06516	2.1
135.04407	0.7
137.05984	12.0
137.06966	1.1
145.02875	1.1
147.04422	61.7
149.05980	9.6
161.05981	2.5
165.05486	14.6
165.09128	0.8
175.03922	12.6
175.07521	0.5
183.01279	0.6
193.04984	23.0
193.08611	1.7
211.06091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	trans-o-Hydroxybenzylidenepyruvate
Peak:m/z	Relative Intensity
51.02380	1.1
53.00311	8.9
53.03944	4.9
53.64105	0.4
53.78514	0.4
55.01874	4.5
55.05512	1.3
59.05001	0.5
63.02364	0.5
65.03942	7.1
67.05509	18.9
69.03423	2.7
69.07077	0.7
69.77875	1.4
69.78276	0.7
70.06606	0.6
71.01357	2.6
71.04999	0.7
77.03944	1.5
79.05497	21.5
81.03435	3.0
81.07063	11.2
83.01353	0.8
83.04976	2.1
85.02911	0.9
87.04488	0.6
89.03952	0.5
91.05485	100.0
92.05801	0.5
93.03425	1.3
93.07049	10.5
95.04973	11.8
95.08614	1.5
97.02897	1.8
97.06532	1.0
99.04491	0.8
99.08108	0.6
99.61950	0.5
103.05473	14.8
103.06159	1.0
105.03398	5.4
105.04523	1.9
105.07035	17.2
107.04957	2.8
107.08607	2.0
109.02883	3.7
109.06532	6.9
109.10155	1.7
111.04451	1.7
115.05446	5.0
117.07026	0.9
118.04164	1.8
119.04947	90.1
119.08577	3.0
120.05753	0.7
121.02839	1.0
121.06503	9.2
121.10170	0.5
123.04433	6.1
123.08072	1.5
129.03351	0.9
129.05482	1.1
129.18117	0.5
131.04935	4.9
132.05708	0.9
133.02873	2.5
133.06496	14.3
133.10156	2.2
135.04411	1.3
135.08104	0.8
135.11720	2.3
137.05978	14.5
137.09578	1.0
139.03954	0.6
143.04953	0.8
143.06032	0.9
146.97414	0.7
147.04416	68.6
147.08044	2.5
147.11671	1.5
149.02379	0.6
149.05980	3.2
149.09598	0.6
151.03949	0.9
151.07547	1.1
157.02882	0.7
160.05174	1.5
161.05994	15.4
162.06775	0.8
163.03888	1.0
163.06081	0.4
163.07497	1.4
164.07133	0.7
165.05482	22.4
165.06880	1.2
165.09119	2.0
175.03917	12.1
175.07529	4.7
175.11127	0.6
175.14813	1.4
178.02626	1.6
178.06273	0.7
181.04405	0.5
183.88222	0.4
192.59866	0.4
193.04965	45.5
193.08591	11.0
193.10349	0.9
193.12175	2.0
193.14140	0.4
193.15800	2.1
194.11726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
51.02369	1.4
53.03930	5.3
55.01874	14.7
55.05502	3.5
57.03438	7.7
59.05001	1.7
60.37702	1.2
61.28719	1.1
63.53814	1.1
65.03928	2.4
66.04726	6.0
67.05511	10.0
69.03419	3.9
69.07073	3.4
71.04990	3.5
71.52873	1.4
75.04469	1.4
77.03927	1.5
79.05495	31.0
81.03400	3.2
81.07057	10.5
83.04984	3.9
83.08602	1.3
90.04709	5.9
91.05478	34.0
92.06271	3.4
92.95242	1.2
93.07040	12.3
94.04175	3.0
95.04969	12.2
95.08610	11.2
97.06577	1.6
99.08132	1.7
102.04721	1.3
103.05477	32.7
104.06240	4.8
105.03416	2.4
105.04518	2.4
105.07032	89.4
107.04945	13.6
107.08582	10.1
108.05739	2.4
109.02895	10.1
109.06543	9.2
109.10160	7.7
111.04432	1.6
111.08055	2.2
115.05465	9.9
117.07032	2.8
118.04165	79.7
119.04996	10.6
119.08600	13.0
119.64942	1.4
120.05747	8.1
121.06521	15.0
121.10146	1.8
122.03696	2.3
122.07310	8.2
123.04440	2.7
123.08047	3.3
123.11745	2.5
124.05212	25.6
125.06012	1.9
129.06995	1.9
131.04971	6.0
131.05850	1.3
131.08638	1.6
132.05716	4.4
133.02875	3.7
133.06500	100.0
133.10126	15.7
134.07277	9.0
135.04417	15.2
135.08051	17.7
135.11691	9.5
137.05983	10.6
137.09576	3.1
143.06085	2.1
147.04401	4.4
147.08044	2.8
147.11694	6.5
149.02386	1.5
149.05942	4.6
149.13219	1.2
150.06758	34.6
151.03839	1.6
151.07573	12.0
151.11215	1.6
159.92305	1.4
160.05196	2.5
161.05988	40.0
162.06783	4.6
163.04010	1.5
163.07568	3.1
165.05470	2.3
165.09116	45.7
175.03951	1.4
175.07553	5.5
175.11183	2.3
175.14803	11.9
177.05450	1.3
177.22650	1.3
178.02658	4.2
178.06250	4.3
178.07776	2.2
193.04959	21.8
193.08617	67.9
193.10071	2.9
193.12270	9.6
193.14320	1.9
193.15887	12.1
194.15439	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.46344	0.4
53.03940	1.5
55.01878	3.5
55.05508	0.6
59.04998	0.5
65.03949	0.9
66.04709	0.5
67.05505	1.5
69.03438	0.9
70.29375	1.2
71.05012	0.5
77.03942	0.8
79.05498	11.9
81.03441	0.5
81.07066	2.1
83.04996	0.7
90.04707	0.8
91.05486	10.2
93.07036	2.2
95.04954	2.6
95.08614	1.0
97.02882	0.6
98.21436	0.4
98.97591	0.5
103.05473	13.8
103.70846	0.4
104.06263	0.7
105.03432	1.0
105.07037	85.6
107.04969	1.0
107.08591	2.5
109.02880	0.7
109.06525	2.5
109.10149	1.0
111.04465	0.7
115.05461	17.0
118.04163	8.9
119.04946	4.8
119.08588	2.9
121.06505	1.1
121.10159	0.4
123.08071	0.9
129.05351	0.5
130.23604	0.4
131.04956	3.8
131.08551	0.5
132.05702	1.1
133.06499	76.4
133.10078	2.6
134.06844	1.0
135.08054	1.0
135.11728	3.3
137.05984	1.8
137.09621	0.8
143.04927	1.8
143.06052	7.0
147.04413	4.3
147.08101	0.6
147.11702	0.7
147.69713	0.4
149.05998	0.8
161.05988	100.0
162.06325	1.0
165.05453	1.4
165.07408	1.3
165.09111	0.6
175.03841	1.0
175.07561	0.9
175.11212	1.5
175.14801	1.5
178.02664	0.9
178.06212	1.1
179.58080	0.6
186.29660	0.4
193.04968	5.7
193.06889	9.2
193.08621	13.8
193.12296	1.5
193.14005	0.5
193.15863	1.4
194.15451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.05504	3.5
56.22887	1.0
57.07065	1.1
59.05005	1.1
67.05507	5.5
69.07059	7.1
69.20325	9.5
69.20724	2.2
71.04981	4.3
79.05510	4.9
81.07059	11.6
83.05000	1.1
83.08622	2.2
85.06528	2.3
91.05493	9.5
93.07045	14.3
94.66846	1.0
95.04990	2.7
95.08608	16.4
95.13217	1.1
97.06535	1.1
98.20758	2.6
99.08099	3.3
101.49637	1.0
103.05471	3.2
105.07034	17.6
107.08591	28.2
109.06524	5.9
109.10161	17.3
111.08114	2.3
115.05441	2.3
119.04947	3.4
119.07973	1.0
119.08589	23.6
121.10149	4.6
123.08073	7.1
123.11700	6.1
131.08591	1.7
133.06531	5.9
133.10138	100.0
134.10487	1.3
135.11699	59.2
137.05974	1.3
137.09647	9.2
138.10391	1.9
145.10114	1.4
147.04413	3.3
147.11688	5.3
149.13260	2.1
161.05986	4.6
165.12782	2.2
175.04042	1.3
175.14838	58.5
193.05011	8.9
193.08585	3.7
193.15915	33.1
193.17703	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03950	1.0
55.05509	9.3
57.03436	0.8
57.07078	2.7
59.04997	3.1
63.10191	0.7
65.03931	0.7
67.05508	19.4
67.77504	0.5
69.03458	0.6
69.07072	6.0
69.67424	3.8
71.04998	1.0
75.94415	0.6
79.05489	8.3
81.03431	3.4
81.07058	11.1
83.04983	2.3
83.08612	1.9
85.06548	17.3
91.05473	5.1
93.07049	15.8
95.04974	4.2
95.08610	15.1
99.08097	100.0
103.05486	1.3
105.07037	12.2
107.08595	17.5
109.06544	4.9
109.10161	36.9
111.08087	1.1
117.07026	1.2
119.04990	1.0
119.08576	14.1
121.10156	5.6
123.08077	4.7
123.11701	3.9
125.09655	0.9
133.06485	5.4
133.10133	19.1
135.11699	22.0
137.09627	13.6
138.10390	1.2
143.06010	0.6
147.11699	2.9
149.13245	1.7
151.11227	4.7
151.14833	1.4
157.10103	0.7
161.06004	6.4
165.16408	2.6
175.11243	0.7
175.14842	16.2
193.05008	2.3
193.08600	2.0
193.15892	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
55.05518	3.1
57.07074	3.5
59.04994	0.8
67.05504	8.4
69.06725	1.0
69.07069	9.9
70.79661	1.3
70.80013	1.0
72.71674	0.6
79.05486	1.8
81.07064	6.6
83.08605	1.6
85.06528	1.8
91.05481	6.9
93.07040	6.2
95.04971	0.6
95.08611	27.8
96.48342	0.8
103.05489	0.7
105.07034	16.4
107.08587	6.4
109.06510	1.2
109.09399	1.3
109.10161	24.7
115.05382	1.0
117.07012	2.0
118.18726	0.5
119.08584	56.3
121.10150	4.3
123.08046	1.6
123.11725	2.0
131.08589	1.4
133.06505	1.6
133.10132	65.0
134.10909	0.8
135.10744	1.6
135.11694	14.9
137.09628	8.2
145.10138	2.5
147.11690	16.4
149.13248	5.9
151.14844	5.7
159.11710	0.7
160.12469	4.3
161.06003	1.8
173.13278	1.5
175.14830	100.0
176.15091	1.4
184.90878	0.6
193.08614	2.9
193.15892	14.4
193.27489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
51.32834	0.8
51.53900	0.9
51.60982	0.9
55.05507	3.6
57.07086	1.1
61.61344	0.8
67.05500	4.9
68.35815	0.8
69.07062	6.9
69.36530	4.8
69.36958	2.6
71.05003	6.5
79.05492	5.1
81.03427	2.2
81.07056	11.2
83.08607	1.7
85.06542	1.7
90.04583	0.9
90.14188	0.8
91.05477	8.7
93.07040	14.9
93.07571	1.5
95.04976	2.5
95.08607	20.4
97.06521	2.0
98.21431	2.2
99.08096	2.5
103.05463	1.4
105.07027	20.9
107.08598	29.8
109.06564	4.4
109.10159	13.4
111.08107	1.0
113.09636	1.9
115.05466	2.1
119.08582	40.4
121.10139	4.3
122.56068	0.8
123.08086	3.7
123.11715	7.7
131.08562	1.6
133.06499	8.6
133.10133	100.0
134.10480	1.3
135.11694	60.7
137.09605	4.4
145.10184	1.9
147.11694	4.9
149.13293	1.7
151.11179	1.3
161.05975	7.5
175.14830	60.3
176.15172	1.2
193.04932	1.5
193.08604	10.5
193.12247	1.7
193.15889	23.6
207.16701	0.8
214.15573	0.9
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	(-)-gamma-ionone
Peak:m/z	Relative Intensity
52.14042	2.0
55.05492	5.2
57.82753	1.8
58.77424	1.6
60.99266	1.7
61.24429	1.9
67.05497	6.0
69.07059	9.1
69.96693	4.5
69.97085	3.6
71.04985	4.7
79.05478	6.9
81.07056	12.9
85.06520	3.2
91.05487	11.2
91.20063	1.7
93.07043	15.9
95.04956	5.8
95.08601	18.5
99.08118	10.4
103.05450	3.6
105.07031	32.5
107.08592	27.8
109.06520	13.2
109.10152	20.4
111.08067	3.0
115.05412	4.8
117.07005	3.0
119.08578	30.6
121.10147	4.0
123.08067	4.0
123.11711	10.3
131.98817	1.7
133.06509	21.0
133.10132	100.0
135.10710	3.3
135.11694	57.4
137.09631	4.8
147.04347	1.9
147.11711	8.8
159.77962	2.0
161.05992	16.5
165.09125	2.6
166.08633	2.0
175.11354	2.7
175.14827	67.5
178.02477	2.2
193.05020	6.5
193.08629	12.7
193.12375	3.3
193.15891	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03944	1.9
55.01861	1.0
55.05523	7.4
57.07067	4.1
58.15739	1.1
59.04987	2.3
63.74558	1.1
65.03941	1.4
67.05508	13.4
68.80515	1.0
69.03411	1.1
69.07074	12.0
70.39700	2.5
71.04984	2.7
71.08617	1.1
78.63371	1.0
79.05506	8.4
80.42181	1.1
81.03404	2.7
81.07058	16.9
82.66002	0.9
83.04978	2.0
83.08624	3.7
85.06541	5.7
85.45329	1.0
91.05485	16.3
93.07051	15.8
95.04963	7.1
95.08610	27.1
97.06557	2.1
99.08097	19.1
100.54226	1.3
103.05478	2.9
105.07037	25.7
107.08591	20.1
109.06511	3.7
109.10164	27.9
111.08153	1.3
113.95361	1.0
115.05479	1.8
117.06994	2.7
119.04951	2.2
119.08586	61.2
121.10139	8.2
123.04449	2.2
123.08094	6.5
123.11710	4.7
129.06987	1.1
131.04930	1.3
131.08598	2.4
133.02829	2.4
133.06500	5.0
133.10133	65.7
134.10451	1.1
135.08058	1.5
135.11691	37.4
137.09615	13.6
138.32297	1.1
145.10115	4.5
147.04375	2.9
147.11682	15.9
149.13283	5.4
151.11163	2.4
151.14839	3.7
160.12460	2.5
161.05963	4.4
165.05504	1.5
173.13367	1.5
175.04025	1.2
175.14833	100.0
176.15207	1.5
178.02629	3.0
193.04951	8.1
193.08632	5.6
193.12206	3.2
193.15903	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	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.1
57.07074	3.5
59.04994	0.8
67.05504	8.4
69.06725	1.0
69.07069	9.9
70.79661	1.3
70.80013	1.0
72.71674	0.6
79.05486	1.8
81.07064	6.6
83.08605	1.6
85.06528	1.8
91.05481	6.9
93.07040	6.2
95.04971	0.6
95.08611	27.8
96.48342	0.8
103.05489	0.7
105.07034	16.4
107.08587	6.4
109.06510	1.2
109.09399	1.3
109.10161	24.7
115.05382	1.0
117.07012	2.0
118.18726	0.5
119.08584	56.3
121.10150	4.3
123.08046	1.6
123.11725	2.0
131.08589	1.4
133.06505	1.6
133.10132	65.0
134.10909	0.8
135.10744	1.6
135.11694	14.9
137.09628	8.2
145.10138	2.5
147.11690	16.4
149.13248	5.9
151.14844	5.7
159.11710	0.7
160.12469	4.3
161.06003	1.8
173.13278	1.5
175.14830	100.0
176.15091	1.4
184.90878	0.6
193.08614	2.9
193.15892	14.4
193.27489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.47340	1.0
55.01871	2.5
55.05512	8.7
57.07066	1.7
58.24627	0.9
59.04990	2.6
67.05508	11.2
67.57892	1.0
69.03400	0.9
69.07073	29.7
69.98085	3.7
71.04996	16.6
74.28128	0.9
79.05492	6.3
81.03439	1.3
81.07055	18.3
83.04985	1.2
83.08601	4.0
85.06553	10.5
91.05477	8.1
93.07050	25.6
95.04970	32.9
95.08613	21.3
95.09193	2.1
97.06537	4.6
97.10157	10.6
99.08092	6.2
105.07030	12.3
107.08601	31.7
109.06523	100.0
109.09476	1.5
109.10157	17.2
111.08088	7.2
111.11721	2.7
115.05433	1.3
119.08591	29.1
121.10152	9.4
123.08101	6.4
123.11705	24.0
133.02838	1.4
133.06482	1.7
133.10139	27.4
135.11697	36.1
137.09619	16.3
147.11713	7.5
149.13255	10.3
151.07466	0.9
151.11180	4.2
151.14804	1.8
158.62387	0.9
161.05989	2.9
175.07497	1.2
175.14833	46.5
178.02556	2.2
193.04964	7.8
193.08582	3.1
193.12216	3.5
193.15889	79.1
194.15364	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03942	0.5
53.32387	0.3
58.80561	0.3
69.66835	1.9
78.04732	0.6
79.05490	0.5
81.07059	0.3
89.03923	16.0
91.05494	1.8
93.03426	0.3
93.07058	0.5
95.04988	0.5
95.08610	0.6
98.00739	0.3
103.05482	1.3
106.04185	1.3
107.04959	0.8
107.08581	0.8
117.03389	40.8
119.08692	0.3
121.06544	0.8
125.06029	0.4
134.03636	5.9
135.04434	3.3
135.08046	0.5
142.22890	0.3
145.02855	74.7
146.03203	0.4
149.05991	18.3
153.05437	0.4
158.06126	0.3
162.03096	1.5
163.03915	6.8
177.05482	100.0
186.05486	1.2
195.01132	0.5
195.06598	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03975	0.5
55.05521	0.6
63.02381	0.8
67.05500	1.0
69.07064	0.6
71.81889	0.5
72.89854	0.4
78.04710	0.7
79.05489	1.9
81.03454	0.6
81.07053	1.8
89.03922	19.8
89.06034	0.8
91.05494	2.3
93.07045	1.9
94.48811	0.4
95.04970	0.7
95.08596	1.5
98.20750	0.9
103.05458	1.5
105.07040	1.9
106.04171	1.7
107.04961	2.0
107.08614	2.6
109.10166	0.5
117.03381	40.6
121.06486	1.1
121.10143	1.2
123.08026	0.6
125.06042	0.6
130.96301	0.5
133.02829	1.1
133.06500	11.4
133.07526	0.6
133.10127	0.5
134.03618	6.9
135.04414	4.6
135.11694	1.0
145.02846	73.0
149.05977	18.4
153.05405	0.6
158.05994	0.5
162.03104	2.0
163.03911	19.4
169.96889	0.4
177.05472	100.0
177.16373	1.4
186.05490	2.3
195.01118	0.4
195.06551	1.8
195.08083	0.7
195.11812	0.5
195.13826	0.6
195.15585	0.5
195.17426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
50.01597	0.5
53.03928	1.9
55.01861	1.2
55.05505	2.9
57.07077	0.9
65.03939	4.6
67.05515	2.8
69.07069	6.6
69.72350	2.4
71.04980	1.1
79.05492	8.1
81.03391	0.5
81.07057	9.2
83.04993	0.8
83.08614	2.7
85.06575	1.1
89.03919	3.6
91.05487	6.9
91.84792	0.6
92.06260	0.7
93.03394	5.2
93.07045	6.8
95.04961	1.9
95.08608	13.8
97.03468	0.5
97.06519	0.8
97.10138	0.9
99.08086	3.9
103.05470	22.0
105.04503	0.9
105.07026	9.2
106.04153	0.7
107.04956	32.6
107.08593	10.9
109.02881	1.5
109.10139	2.6
111.04440	4.5
111.08080	1.9
111.11710	1.0
113.09644	2.0
115.05434	4.0
116.06236	0.5
117.03389	7.4
117.06997	1.1
119.04927	0.6
119.08557	0.6
120.05700	2.5
121.02844	0.7
121.06498	1.9
121.10149	15.6
123.08073	0.5
123.11749	0.7
124.05190	2.0
125.05974	1.0
125.09624	1.5
131.04945	4.3
134.03656	0.8
135.04442	1.3
135.08058	19.7
135.11662	4.1
137.05824	0.6
137.13261	4.0
139.03902	24.9
139.11259	0.8
145.02844	12.7
145.06531	0.6
145.07581	1.1
147.04401	0.5
148.05136	0.7
149.05980	4.0
149.13249	1.6
151.03909	0.6
154.06247	100.0
155.06577	1.4
163.03879	3.9
163.07542	38.6
165.05322	0.7
167.07037	4.2
177.05470	18.3
177.12830	1.1
177.16389	26.1
180.07837	1.1
195.02910	1.0
195.06519	1.6
195.10178	11.6
195.11827	1.0
195.13815	1.2
195.17406	3.3
204.19337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Norbisabolide
Peak:m/z	Relative Intensity
52.72432	0.9
53.00295	0.9
53.03946	3.4
55.01869	3.2
55.05517	14.5
55.40766	0.9
57.03450	2.1
57.07067	1.6
65.03940	2.9
67.05510	95.0
69.03436	2.2
69.06728	1.8
69.07071	19.4
71.05003	5.3
71.51694	1.5
73.02920	1.8
79.05503	36.6
81.03423	4.1
81.07063	100.0
83.04987	6.3
83.08624	11.2
83.82319	1.1
85.06567	5.0
87.04449	1.2
89.03927	3.7
89.06033	2.7
91.05489	22.8
93.07051	55.0
95.04967	3.8
95.08611	41.1
97.06541	17.7
97.10168	3.5
99.04433	2.4
99.08093	5.2
100.02444	1.1
103.05536	1.4
105.04536	1.9
105.07021	9.0
107.04967	5.8
107.08601	24.7
108.54554	0.8
109.06518	4.2
109.10167	3.1
109.87788	1.1
111.08089	8.4
111.11707	1.1
112.79221	1.1
113.06023	1.5
113.09619	1.9
115.05392	1.0
117.03396	6.8
117.07030	14.0
119.08585	4.4
121.06507	4.1
121.10163	12.7
123.08078	1.7
123.11745	1.5
125.09626	1.9
131.08577	16.4
133.02908	1.6
133.10135	19.2
135.04396	2.3
135.08098	4.3
135.11703	36.6
137.13266	2.6
140.20903	1.1
145.02867	13.2
149.05998	4.5
149.09668	2.6
149.13275	38.7
151.11166	7.5
159.11708	30.6
159.13039	1.4
163.03963	5.5
167.07008	1.1
177.05475	23.6
177.12769	21.7
177.16341	7.1
195.02907	2.1
195.06532	2.4
195.08109	2.6
195.10124	1.6
195.11963	1.8
195.13812	28.8
195.15623	1.6
195.17473	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03941	6.0
55.01872	3.1
55.05516	18.9
57.03450	12.1
57.07095	4.8
60.35440	2.0
61.79534	2.1
67.05514	24.7
69.03435	6.1
69.06735	2.9
69.07076	37.1
69.81739	4.6
69.82142	8.6
71.05001	11.2
77.03938	2.6
79.05498	52.3
81.03423	3.9
81.07063	52.9
81.46243	2.2
83.08643	10.3
85.06543	5.6
89.03912	12.1
89.06026	5.0
91.05492	38.1
93.07055	81.9
93.07651	4.6
95.04969	8.7
95.08625	29.4
97.06517	5.7
99.08090	2.8
99.61288	2.0
103.05483	3.6
105.07026	23.6
106.04163	2.5
107.04943	15.5
107.08607	48.9
109.06525	12.3
109.10163	4.5
111.08080	4.4
115.05470	5.5
117.03378	28.2
117.07029	16.9
119.08631	14.4
121.06525	13.9
121.10160	19.9
123.08073	15.0
125.09708	2.3
129.07018	5.6
130.96303	3.3
131.05051	2.3
131.08600	26.2
133.02847	6.3
133.06508	17.9
133.07420	3.2
133.10133	7.6
134.03676	4.4
135.04410	9.8
135.08054	8.8
135.11690	15.9
144.09343	4.3
145.02859	67.8
148.97334	2.3
149.05989	17.6
149.13281	14.6
153.97929	2.5
159.11728	19.8
163.03918	79.1
163.07616	4.2
167.08632	3.2
169.48221	2.1
177.05495	100.0
177.12772	17.4
177.16391	10.3
195.02916	2.9
195.06506	2.7
195.08185	4.9
195.10175	4.2
195.11710	5.8
195.13799	6.7
195.15529	2.7
195.17494	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03955	3.5
55.01865	3.0
55.05238	0.7
55.05513	14.6
56.69304	0.7
57.03438	7.7
57.07069	2.0
65.03936	3.4
67.05506	69.6
69.03425	1.4
69.07069	16.9
70.64185	1.9
71.01358	2.7
71.05001	7.3
73.02924	1.3
79.05494	39.3
81.03424	4.7
81.07058	100.0
82.07410	0.7
83.04980	12.3
83.08620	12.1
84.08152	0.7
85.06532	4.4
89.03932	2.6
89.06040	3.1
90.24164	0.7
91.04916	0.9
91.05486	21.5
93.07047	64.6
95.04993	4.8
95.08611	32.2
97.06531	14.8
97.10180	1.3
99.04458	0.8
99.08096	3.8
101.06055	0.9
103.05515	1.4
105.04526	1.4
105.07029	8.9
106.85180	0.6
107.04956	3.2
107.08598	27.0
109.06542	3.4
109.10152	4.2
109.98919	0.7
111.08074	7.1
113.06006	1.4
113.09657	1.6
115.05478	0.9
117.03377	4.0
117.06222	1.2
117.07017	10.9
119.06072	0.7
119.08588	2.7
121.06500	3.4
121.10140	13.9
123.08070	1.3
123.11715	1.6
125.06039	0.9
125.09652	1.0
130.96312	1.5
131.04993	0.9
131.08559	10.7
133.02821	1.7
133.10126	14.9
134.03630	0.8
135.04436	2.6
135.08092	4.4
135.11691	26.1
139.07655	1.0
139.11191	0.8
145.02855	7.7
148.97380	1.0
149.05988	2.9
149.07156	0.8
149.09630	1.9
149.13260	27.9
149.57677	0.7
151.11176	1.7
153.09184	1.2
153.97923	0.9
154.06233	1.4
157.27303	0.8
159.11696	19.1
160.12131	0.8
163.03920	22.9
163.05266	1.4
163.07668	0.7
165.07022	1.4
171.98947	1.1
177.05472	12.4
177.12738	16.0
177.16351	1.5
179.81120	0.6
195.02939	2.2
195.06508	1.4
195.08073	1.2
195.10194	1.0
195.11789	2.8
195.13797	19.0
195.15573	1.2
196.17024	0.9
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	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03936	4.4
55.01864	4.4
55.05509	15.8
57.03430	9.8
57.07055	3.6
65.03931	3.3
67.05507	90.8
68.96332	1.7
69.03432	2.5
69.06730	1.6
69.07072	19.3
69.97716	3.5
69.98130	1.7
70.06581	1.2
71.01343	1.9
71.05008	6.0
71.51337	1.0
73.02923	1.5
77.03897	1.6
79.05495	39.5
81.03429	6.3
81.07057	100.0
83.04977	10.3
83.08627	12.4
85.06554	6.9
88.34382	1.2
89.03921	5.5
89.06032	7.1
91.05487	22.2
93.07047	72.7
95.04980	9.1
95.08607	43.4
97.06527	16.7
97.10147	3.1
99.08095	4.0
100.02486	1.6
103.05450	2.5
105.07030	11.2
107.04948	7.0
107.07881	2.1
107.08596	31.1
109.02863	1.2
109.06528	4.9
109.10137	4.2
109.98914	1.5
111.08092	8.2
113.06028	1.1
117.03375	9.4
117.07008	12.1
118.03558	1.3
119.08569	3.6
121.06493	5.7
121.10146	14.8
123.08079	16.8
123.11680	2.0
125.06035	1.6
129.07021	2.3
130.96272	1.5
131.04947	2.1
131.08565	14.3
133.02841	4.7
133.06462	1.6
133.10133	18.1
133.97621	1.0
134.03683	1.6
135.04440	5.7
135.08047	6.4
135.11702	35.6
137.09560	1.0
138.06731	1.3
138.16629	1.3
139.07542	1.7
139.11195	1.1
145.02843	17.2
145.03899	1.9
148.97377	4.0
149.05960	8.1
149.09615	3.0
149.13268	34.5
151.07655	1.0
151.11168	3.7
153.09094	1.6
153.97888	2.4
159.10471	1.9
159.11707	28.4
159.13025	1.5
163.03908	54.0
163.07544	2.5
165.07030	2.4
167.07027	2.9
167.08577	1.3
171.98949	2.6
177.05463	27.5
177.06906	2.1
177.12740	23.2
177.16399	2.8
180.09338	1.6
183.37010	1.0
195.01239	1.2
195.02896	4.2
195.06493	4.3
195.08180	3.9
195.10139	2.3
195.11742	5.3
195.13797	30.3
195.15646	3.6
195.17387	1.0
198.14182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.66338	1.2
53.03936	5.1
55.01862	4.8
55.05272	1.6
55.05516	19.8
55.83771	1.3
57.03444	9.8
57.07063	4.3
61.52252	1.2
65.03928	3.2
67.05510	74.9
68.96314	1.5
69.03416	3.0
69.06734	2.0
69.07075	21.9
70.26586	1.2
71.01337	2.1
71.04999	8.4
71.41473	1.5
71.95290	1.3
72.09712	1.2
79.05496	50.6
81.03425	24.7
81.07064	100.0
83.04986	23.1
83.08623	12.7
85.06524	4.7
87.04444	1.3
89.03914	3.1
89.06054	13.6
90.20679	1.1
91.05487	33.0
93.07051	68.6
95.04988	9.0
95.08617	39.2
97.06543	18.2
97.10190	1.8
99.08083	2.1
100.02522	1.2
103.05463	2.1
105.04523	2.4
105.07036	15.1
107.04942	5.4
107.08610	30.7
109.06538	6.4
109.10167	6.2
109.98937	2.0
111.08114	8.8
111.11722	2.1
113.06029	1.5
117.03375	8.6
117.07022	15.6
119.08555	4.9
121.06514	11.9
121.10159	16.2
123.08100	2.3
123.11680	3.0
125.09639	2.4
130.96281	3.0
131.04974	2.0
131.08578	18.9
131.96146	1.6
133.02840	3.9
133.08623	2.7
133.10141	20.2
135.04399	5.6
135.08058	6.5
135.11696	26.1
137.05936	1.3
139.03853	1.3
139.07518	2.2
145.02855	16.3
148.97368	1.3
149.05957	5.4
149.09625	2.9
149.13277	23.7
151.11209	2.3
153.97885	2.7
154.86000	1.4
159.10477	1.7
159.11702	21.2
163.03920	50.2
165.07129	1.3
171.98958	3.3
175.07385	1.2
177.04063	2.2
177.05498	24.7
177.12776	14.2
177.16293	3.0
195.02904	4.2
195.06471	4.1
195.08061	2.1
195.11890	2.2
195.13837	29.4
195.15694	4.9
195.17418	1.8
196.17006	1.8
207.09999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03937	7.2
55.01863	4.5
55.05515	21.3
55.14724	1.7
55.57897	1.6
57.03442	8.4
57.07066	3.6
63.05387	1.4
65.03972	1.8
67.05508	74.2
68.96341	2.5
69.03418	3.2
69.07072	19.7
69.82667	7.0
71.01379	3.1
71.05005	7.7
77.03926	1.8
79.05501	50.3
81.03429	27.4
81.07061	100.0
82.52986	2.1
83.04987	19.8
83.08627	13.0
84.08155	2.6
84.81809	1.6
85.02911	2.2
85.06536	5.3
87.84661	1.6
89.03913	4.7
89.06038	14.6
91.05486	34.3
93.07048	69.1
94.07355	2.2
95.04967	8.2
95.08064	2.9
95.08616	35.8
97.06516	14.5
98.20733	1.6
99.04474	1.6
99.08087	4.6
103.05436	2.6
105.03409	1.7
105.04486	2.2
105.07047	12.7
107.04946	7.2
107.08597	31.7
109.06514	5.0
109.10139	6.9
109.98969	2.2
111.08080	6.6
113.06003	1.8
113.09676	2.0
117.03374	13.9
117.07020	14.6
119.08550	3.5
121.06506	12.1
121.10133	19.2
123.11662	1.9
125.05967	1.4
125.09618	2.7
130.96320	3.6
131.04849	2.3
131.08557	13.6
133.02861	3.9
133.08592	3.8
133.10146	21.5
135.04446	8.7
135.08051	6.8
135.11693	26.0
139.03879	1.5
139.07523	3.5
145.02859	23.5
148.97377	3.0
149.05956	8.1
149.09598	3.8
149.13266	31.2
151.11172	2.2
153.97865	3.4
154.06210	2.0
159.11700	20.9
163.03917	59.4
165.07047	2.5
167.07112	2.6
167.08475	2.4
171.98933	3.4
177.05470	36.5
177.06918	3.0
177.09064	2.7
177.12733	15.8
177.16434	3.2
180.09233	1.9
186.05487	1.9
195.02859	8.3
195.06506	5.7
195.08212	2.5
195.11732	7.2
195.13811	27.5
195.15744	6.4
195.17419	1.6
196.16953	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.41344	1.5
55.01865	2.9
55.05514	18.1
57.07066	4.7
59.05003	1.8
59.93591	1.3
67.05507	7.9
68.72394	1.3
69.03429	12.6
69.06731	2.6
69.07071	32.0
69.97590	1.3
70.54509	4.8
71.04987	6.1
71.08645	1.6
71.64777	1.4
79.05505	9.0
81.07063	27.7
83.04977	2.4
83.08622	14.2
85.06538	4.0
88.13019	1.6
91.05482	2.4
93.07047	16.0
95.08609	47.3
97.10192	7.4
99.08098	50.2
104.67109	1.5
105.07027	3.0
107.04964	1.9
107.08595	37.6
109.10168	12.3
111.08095	14.6
111.11697	3.8
113.09639	6.0
117.03421	2.0
117.05268	1.7
118.21278	1.5
121.10146	60.4
123.11699	2.8
125.08775	2.6
125.09634	30.6
135.11707	13.0
137.13272	18.2
139.11159	2.7
145.02834	2.9
149.13255	6.0
163.03891	1.8
177.05476	6.0
177.16396	100.0
195.17462	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.35800	0.5
53.03926	0.9
55.01855	1.1
55.05509	10.0
57.07074	3.0
67.05499	6.3
69.03419	1.4
69.07076	19.6
70.11535	2.1
71.04991	4.6
72.93767	0.6
77.03909	0.5
77.47255	0.5
79.05493	10.2
81.07058	28.3
83.08624	11.3
85.06537	2.2
89.03931	3.1
91.05476	3.7
93.06487	0.9
93.07050	15.1
95.04956	1.9
95.08611	51.1
97.10159	4.0
98.21464	0.9
99.08096	10.1
103.05476	2.5
105.07020	4.7
107.04961	17.1
107.08594	34.7
109.06516	0.9
109.09463	1.0
109.10154	9.5
111.08089	2.8
111.11752	1.2
113.09649	7.0
115.05444	0.8
117.03384	8.8
119.08543	1.3
120.05715	0.9
121.10149	51.0
123.11677	1.4
125.09623	6.4
125.13284	0.7
133.02811	0.8
134.03642	1.6
135.04449	1.2
135.08073	5.2
135.11708	9.0
137.12199	0.8
137.13255	14.5
139.03899	0.7
139.11195	2.1
145.02855	16.4
145.04001	0.8
147.04324	0.7
149.05983	3.4
149.13283	4.9
153.09224	0.6
154.06239	1.9
163.03915	4.1
163.07564	7.8
165.05501	0.7
167.07071	6.4
177.05486	23.4
177.16389	100.0
177.43437	0.5
178.16754	0.8
180.07784	1.6
195.06525	0.9
195.10164	7.3
195.17450	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	195.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
55.05505	10.8
57.07058	3.0
57.27230	0.7
63.00482	0.8
65.03946	0.9
67.05502	6.4
69.03387	1.1
69.07071	19.0
71.04987	5.3
73.71934	0.7
79.05493	8.8
81.06593	1.4
81.07059	26.8
81.07534	1.7
83.04971	1.2
83.08625	13.0
85.06549	4.1
89.03916	2.0
89.05998	1.1
89.42266	0.8
91.05495	3.7
93.06477	1.4
93.07045	16.8
95.04950	1.4
95.08608	52.1
97.06554	1.0
97.10155	5.1
99.07497	1.1
99.08094	13.5
103.05472	1.8
105.06998	2.7
107.04956	6.2
107.05599	1.2
107.08600	37.6
109.06468	1.2
109.10165	9.9
110.08042	0.7
111.08082	7.1
111.11743	0.9
113.09640	8.0
113.10364	1.1
117.03394	4.0
117.12731	0.7
121.06493	0.9
121.10148	55.3
121.52789	0.7
123.00998	0.7
123.08055	1.1
123.11694	1.6
125.05932	0.9
125.09653	5.1
131.08585	1.0
133.10049	1.2
133.73875	0.8
134.03607	1.7
135.04462	1.1
135.08081	1.6
135.11688	13.1
137.13260	12.2
139.03983	1.3
139.11206	2.6
145.02861	8.9
149.06015	4.2
149.13275	5.0
154.06221	3.1
158.74902	0.7
159.11760	0.7
163.03885	4.5
163.07562	1.7
167.07040	1.9
177.05484	11.5
177.16393	100.0
178.16756	1.0
195.02930	0.9
195.06503	1.9
195.08147	2.1
195.10188	1.0
195.11880	0.9
195.13817	1.7
195.15810	1.2
195.17450	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	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26833	0.8
53.03934	1.7
55.01863	3.5
55.05242	1.1
55.05513	14.7
57.03432	1.2
57.07074	3.7
64.26845	0.9
65.71920	0.8
67.05511	8.9
69.03440	9.1
69.07077	32.1
71.04995	5.6
79.05495	8.9
81.07063	34.9
83.04980	2.6
83.08159	1.1
83.08624	14.4
85.06071	0.9
85.06532	5.1
89.03935	3.9
91.05478	3.5
93.07057	20.5
95.05009	1.2
95.08616	52.6
96.09002	0.9
97.06524	1.4
97.10185	8.3
99.08103	36.5
100.24268	0.8
103.05491	2.0
105.07024	3.9
107.04986	6.6
107.08603	43.7
109.06524	1.0
109.10161	11.9
111.08096	13.7
111.11726	3.2
113.09645	4.7
117.03400	9.8
119.08557	2.1
121.06590	1.2
121.10155	61.6
123.11696	3.6
125.08783	1.7
125.09640	24.5
134.03682	1.7
135.04393	2.3
135.11700	16.6
137.13271	18.5
139.11194	2.9
145.02850	20.0
149.06007	5.8
149.09756	0.8
149.13287	7.2
163.03979	5.3
163.07622	1.4
166.29341	0.9
167.07022	1.0
170.54340	0.9
174.51193	1.0
177.05490	27.8
177.16405	100.0
195.08157	1.2
195.10104	1.6
195.17473	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	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03939	0.5
55.01877	2.3
61.38929	0.4
62.38259	0.4
63.79536	0.4
65.03933	1.7
67.05510	2.0
70.95879	2.0
71.01347	0.5
71.14815	0.6
72.93777	0.7
73.02923	22.9
77.03921	0.4
79.00307	0.4
79.05503	0.6
81.07068	0.8
83.12177	0.4
91.05490	3.1
93.03411	1.2
93.07097	0.7
94.98639	0.4
95.04961	1.9
105.07015	1.0
106.57719	0.4
107.04889	0.6
107.08609	0.7
108.02132	1.1
109.06521	1.2
110.03653	2.6
111.04447	0.7
111.98486	3.1
119.04949	2.3
125.06002	18.8
129.99478	0.6
132.95847	6.6
133.02872	1.1
133.06561	0.6
133.10138	0.5
136.01563	0.5
137.06015	2.1
137.09509	0.5
141.05478	2.2
147.04433	0.4
149.05995	2.7
150.96924	3.1
151.03920	100.0
151.05013	8.1
151.07426	3.6
152.04218	0.7
152.67613	0.4
155.97420	3.5
165.05504	0.6
173.98511	4.2
179.07045	22.8
179.10632	1.0
197.08105	10.1
198.18559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	3,5-dimethylorsellinic acid
Peak:m/z	Relative Intensity
53.03934	6.8
55.01876	11.8
55.05490	3.0
57.03432	4.2
60.57726	1.5
65.03923	3.1
67.05505	19.5
69.74207	6.9
69.74620	2.8
70.95847	3.0
71.01349	5.3
77.03922	2.1
79.05492	62.1
81.03413	5.5
81.07058	74.8
83.01352	8.6
83.04969	2.5
84.08707	1.7
85.02908	4.1
91.05485	24.6
93.07037	35.6
95.04968	27.0
95.08615	24.7
98.09850	1.7
103.05464	19.5
105.04514	2.6
105.07032	99.4
107.04943	6.0
107.08572	7.4
109.02861	7.1
109.06528	21.4
111.04434	7.3
115.05453	10.0
117.07031	3.4
119.04944	3.9
121.06511	25.8
123.04424	3.3
123.08075	22.1
125.06007	3.5
127.03905	2.3
127.07543	3.2
131.04913	3.9
132.95815	5.9
133.06493	95.3
135.04407	4.6
135.08083	5.1
149.05989	39.2
151.03900	6.7
151.07538	27.1
155.97404	3.3
157.06689	1.7
159.04437	2.7
161.05986	100.0
169.08633	5.5
173.98401	3.0
177.05487	7.2
179.07037	78.3
195.06525	23.6
197.08098	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	197.081
Annotation	3,5-dimethylorsellinic acid
Peak:m/z	Relative Intensity
51.27274	1.7
53.03931	5.7
55.01882	9.1
55.05508	3.3
55.91995	1.5
57.03432	4.1
59.49590	1.9
67.05503	15.8
69.03408	2.8
70.94199	1.7
70.94527	3.0
70.95884	11.4
71.01348	8.3
72.93776	6.1
77.03939	2.5
79.05499	70.7
81.03412	7.2
81.07060	87.5
83.01325	8.0
83.04984	4.8
85.02919	7.8
89.24625	1.6
91.05488	28.2
93.07056	32.5
95.04976	25.0
95.08622	27.5
97.06505	2.1
103.05479	19.6
105.03393	3.1
105.04524	2.1
105.07041	100.0
107.04961	6.9
107.08605	7.7
108.05785	1.7
109.02861	4.4
109.05814	2.2
109.06526	33.1
110.89284	1.4
111.04459	8.1
111.98479	15.4
114.94800	2.8
115.05436	10.5
117.07041	7.5
121.06516	21.6
123.04475	3.4
123.08087	22.4
125.05986	3.9
127.07580	3.7
129.99553	2.1
131.04936	3.4
132.95848	34.3
133.06500	88.0
133.10220	1.9
135.04411	4.4
135.08044	7.5
137.05978	2.9
149.05994	39.7
150.96915	16.7
151.03941	6.5
151.07547	28.7
153.09122	2.9
155.97412	23.5
159.04338	1.7
161.05995	94.3
169.08614	7.2
173.98486	22.5
177.05499	6.9
179.07039	71.4
179.08578	3.6
179.10548	2.2
195.06560	17.1
195.48955	1.5
197.08118	54.7
197.11693	2.3
204.54773	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03959	0.9
55.01871	2.2
55.05524	0.5
63.90604	0.3
65.03948	1.3
67.05513	2.1
69.03455	0.4
69.07085	0.4
70.40980	0.9
70.95866	5.1
71.01362	0.7
71.05006	0.7
72.93776	2.1
73.02923	22.4
77.03976	0.3
79.05496	1.1
80.02637	0.4
81.07071	1.6
85.02906	0.5
88.96898	0.4
90.94813	0.4
91.05485	4.1
91.59566	0.4
93.03416	1.3
93.07053	0.9
95.04959	1.7
95.08593	1.0
95.36695	0.3
97.06524	0.5
99.04455	0.4
105.07041	1.8
107.08592	2.0
108.02074	1.7
109.02882	0.7
109.06526	1.9
109.10213	0.5
110.03672	1.5
111.04448	1.1
111.98489	4.7
113.96436	0.5
114.94824	0.6
119.04982	2.7
119.08588	0.5
123.08093	0.5
125.05998	19.3
129.99522	1.3
132.95839	13.5
133.02864	0.8
133.10138	2.1
135.11697	0.7
136.05342	0.4
137.05998	4.5
137.09607	0.8
141.05458	1.7
147.04469	0.5
149.05963	2.4
150.96901	7.9
151.03915	100.0
151.05020	9.5
151.07449	4.0
151.11209	0.5
152.04266	0.7
155.97437	9.9
161.05894	0.4
161.09579	0.6
161.13271	0.5
165.05519	1.5
173.96994	0.4
173.98514	8.0
179.07054	21.7
179.10580	2.2
197.00053	0.6
197.06213	0.7
197.08104	11.3
197.09549	0.4
197.09998	0.5
197.11664	1.9
198.18564	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	3,5-dimethylorsellinic acid
Peak:m/z	Relative Intensity
53.03934	6.7
55.01870	8.1
55.05494	5.8
57.03423	5.4
57.77136	1.7
65.03930	1.6
67.05510	13.5
69.03422	2.2
69.69944	7.1
70.95868	10.0
71.01344	6.7
72.93781	4.3
77.03924	3.6
78.84736	1.9
79.05495	68.6
81.03405	6.3
81.07056	82.8
83.01316	6.0
83.04972	5.0
85.02901	7.9
91.05490	27.1
93.07049	30.9
95.04960	20.2
95.08607	28.0
97.06521	3.5
103.05476	16.4
105.03356	2.4
105.04534	2.4
105.07034	100.0
107.04967	10.2
107.08613	9.6
109.02852	4.0
109.06516	38.4
111.04467	10.1
111.98486	11.1
115.05459	10.2
117.06997	5.5
118.04168	2.2
119.04931	4.4
121.06516	21.4
123.04477	2.2
123.08075	26.3
125.02337	3.3
125.05964	1.6
127.03889	2.3
127.07555	2.8
129.99522	3.0
131.04904	6.0
132.94865	2.3
132.95842	24.8
133.06494	81.6
135.04408	4.1
135.08043	6.2
137.02411	1.7
137.05904	2.0
149.05980	38.0
150.96893	14.7
151.03879	6.9
151.07535	30.0
153.09135	3.4
155.97430	16.5
159.04420	3.3
161.05989	77.6
167.07059	1.5
169.08598	5.6
173.98494	17.4
177.05478	4.1
179.07040	70.7
195.06551	16.8
197.06287	3.4
197.08089	49.6
208.63649	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.03953	1.4
55.01649	1.2
55.01865	4.8
55.05517	19.3
56.63136	0.7
64.71254	0.8
67.05521	2.4
67.77699	0.6
69.03442	3.0
69.07079	1.4
70.95867	8.4
71.05011	1.6
71.52089	1.1
72.93790	4.9
73.02925	1.5
79.05491	5.8
81.03434	0.7
81.07063	19.1
83.04987	1.8
88.96913	0.8
90.94806	1.0
91.05495	6.1
93.07050	6.3
95.04984	2.2
95.08636	2.6
97.06542	7.3
99.04465	8.9
105.03413	2.4
105.07043	6.8
107.04988	1.4
107.08600	8.6
109.06529	10.0
109.10156	6.7
111.04471	1.8
111.08088	1.0
111.98486	9.9
113.96367	1.2
115.05463	0.9
117.07037	0.6
119.04990	1.0
119.08589	4.9
121.06502	3.1
123.04424	1.0
123.08028	1.6
123.11745	1.7
125.06004	76.2
127.03923	28.2
128.06252	1.4
129.99536	3.4
131.08612	0.8
132.95844	21.3
132.96843	1.5
133.02881	0.8
133.06538	1.4
133.10146	11.1
135.11694	4.8
137.05991	100.0
137.09610	14.9
139.07562	0.7
141.07098	0.7
143.08572	4.5
150.96893	18.0
151.03909	4.1
151.07552	1.2
151.11160	4.3
155.97432	16.7
161.09650	13.0
161.13252	0.9
165.05457	1.5
173.98500	17.7
179.07159	0.9
179.10686	25.1
179.14249	1.1
182.05815	0.9
197.00101	0.7
197.08038	2.5
197.09900	1.0
197.11729	21.8
197.13202	0.9
198.18542	3.3
212.95401	0.8
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
50.74885	0.8
52.38324	0.8
53.03940	1.5
55.01849	1.3
55.05516	4.6
56.85109	0.9
57.07084	1.0
59.04987	2.5
61.21812	0.7
67.05520	5.8
69.03416	2.8
69.07082	1.3
70.95868	4.6
71.04974	1.2
71.52109	1.4
72.93795	2.8
74.60342	0.9
79.05493	7.3
81.03429	1.2
81.07063	10.0
83.04967	1.8
85.06541	1.2
91.05492	17.8
93.06485	1.6
93.07047	25.2
95.04958	8.2
95.08623	4.2
97.06513	1.3
98.37521	0.8
100.22202	0.8
103.05450	0.9
105.07034	29.7
107.08602	68.5
109.06512	8.4
109.10169	6.1
111.98468	6.2
119.04928	2.3
119.06124	1.0
119.08585	9.3
120.09360	1.1
121.06520	5.6
121.10144	2.4
123.04436	3.2
123.08041	2.4
123.11703	3.5
125.05972	1.5
125.09642	2.5
129.99500	1.4
131.08554	2.1
132.95842	14.2
133.06523	1.3
133.10139	71.5
135.08054	1.4
135.11703	57.0
136.12051	0.9
137.06009	6.5
137.09619	5.7
143.08516	1.6
146.07234	2.5
150.96918	10.2
151.03914	2.8
151.07526	1.2
151.11189	7.7
155.08525	0.9
155.97418	10.3
161.09637	37.8
161.13246	2.4
165.05519	1.1
167.08670	1.0
169.06685	0.9
169.10139	1.1
173.98509	12.3
179.10681	100.0
182.05695	1.2
182.10907	1.9
197.06013	1.7
197.08037	2.1
197.11742	80.2
197.13217	4.0
198.18510	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	197.1175
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
50.69780	0.6
55.01875	1.1
55.05521	1.5
57.99040	0.7
61.02934	1.8
65.03932	0.9
67.05506	2.3
69.03432	1.5
69.26152	2.4
69.26570	3.7
73.02924	1.8
79.05508	6.3
81.07066	7.4
83.04985	0.9
85.87711	0.7
91.05483	12.5
93.06488	1.1
93.07054	16.0
95.04961	1.3
95.08619	4.9
97.06534	1.7
100.74039	0.7
105.06329	1.3
105.07039	26.3
107.08604	100.0
109.06518	3.4
109.10172	4.1
117.07015	1.4
119.04940	2.0
119.08600	14.9
121.06511	2.1
121.09333	1.3
121.10159	16.5
123.08074	1.6
123.11716	2.7
124.18600	0.7
125.09624	1.2
128.06209	1.3
131.08575	2.5
132.95871	2.2
133.06564	1.5
133.10144	58.9
135.11674	1.5
137.05959	2.0
137.09636	2.5
139.07542	3.3
143.08569	2.6
146.07262	0.8
147.03407	0.8
149.09621	10.5
151.07536	2.2
151.09982	1.4
151.11192	21.1
155.97479	1.2
161.09634	15.9
164.24829	0.7
167.10695	32.2
173.98514	1.6
179.05888	1.1
179.10689	43.3
188.49057	0.7
197.11752	71.7
211.60811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03945	1.6
55.01860	1.3
55.05504	2.4
59.04989	2.0
59.09678	0.9
67.05500	5.7
69.03420	1.2
69.07064	2.0
70.95875	6.3
71.00584	1.4
72.93779	2.9
73.02899	1.1
79.05505	4.9
81.07071	6.2
85.06541	1.0
88.96857	1.0
91.05484	16.1
93.06496	1.3
93.07055	21.8
95.04990	7.0
95.08613	3.7
97.06522	2.1
99.04414	0.8
101.79471	0.8
105.06335	0.9
105.07034	26.6
107.08596	58.2
109.06509	6.2
109.10172	6.3
111.98473	9.5
113.96413	1.5
117.07004	1.2
119.04945	3.4
119.08589	9.4
121.06487	4.3
121.10149	1.6
123.04425	3.4
123.08045	2.3
123.11697	2.8
125.06010	1.6
129.99545	1.4
131.08571	2.2
131.52609	0.8
132.95845	19.9
133.06477	1.2
133.10133	64.2
135.08038	1.1
135.11694	52.6
137.05992	5.6
137.09616	6.3
143.08588	1.1
146.07278	2.1
147.04416	9.8
150.96880	11.3
151.03920	3.8
151.07550	3.5
151.11217	5.2
155.97437	14.2
161.09616	27.6
161.10948	1.8
161.13257	1.0
165.05550	1.0
167.07024	1.3
169.10143	1.4
173.98503	13.1
179.07161	2.8
179.10680	100.0
182.05658	0.8
197.08057	2.7
197.11736	81.6
198.18594	1.8
215.33426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03941	0.6
55.01872	1.2
55.05506	1.2
57.07054	0.5
58.40354	0.4
59.04997	0.6
65.03939	0.9
67.05501	1.9
69.03449	0.5
69.07040	0.5
69.10809	0.4
70.95859	3.1
71.04992	0.6
71.52398	0.8
72.93793	1.3
73.02941	0.6
79.05497	2.8
81.07043	3.8
83.04980	0.8
88.96886	0.5
91.05487	10.1
91.06028	0.9
93.07042	8.9
93.94262	0.4
95.04977	1.2
95.08621	2.4
97.06522	0.5
105.07039	18.0
107.08595	100.0
109.06511	3.3
109.10163	4.7
111.98499	2.6
117.07036	0.7
118.07809	0.6
119.04943	1.5
119.06094	1.3
119.08580	7.0
121.06532	3.4
121.10134	3.3
123.04422	0.6
123.08053	1.0
123.11721	1.6
125.06015	1.8
125.09697	0.4
128.06229	0.9
129.99498	0.6
131.08588	2.1
132.95845	6.6
133.10133	54.9
135.08084	0.7
135.11697	14.4
135.12724	0.8
137.05984	5.7
137.09625	3.5
139.07544	1.0
141.07021	1.0
143.08556	1.1
146.07260	1.2
149.06006	0.5
149.09618	1.7
150.96921	3.7
151.03923	1.4
151.07545	1.4
151.11205	5.9
154.07738	1.3
155.97432	5.6
161.09618	17.3
161.13266	1.3
167.10707	4.5
169.06461	0.6
169.10088	2.8
173.98491	5.5
179.07133	0.9
179.10680	28.5
181.06590	0.4
182.05623	0.9
182.07314	0.6
197.07996	1.8
197.09703	4.3
197.11728	70.1
198.18565	1.3
214.89122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03944	0.9
55.01877	1.2
55.05509	3.3
55.77059	0.6
57.07080	1.1
59.05011	1.9
60.41357	0.7
61.30526	0.6
67.05492	3.4
67.51176	0.5
69.03434	1.3
69.07074	1.6
69.63795	3.6
70.95869	2.3
72.44456	0.6
72.93789	0.8
73.02908	0.7
79.05481	5.4
81.07060	7.3
83.04987	0.7
85.06550	1.1
91.05476	13.3
93.07040	19.6
95.04974	6.1
95.08614	3.7
97.06540	1.0
105.07036	23.9
107.04967	0.8
107.08591	57.6
109.06502	4.9
109.10156	6.2
111.08068	0.9
111.98461	1.8
119.04943	1.8
119.06118	0.8
119.08578	7.2
120.09368	0.9
121.06494	4.8
121.10179	1.4
123.04441	2.4
123.08034	1.2
123.11707	2.8
125.05994	0.7
131.08569	2.3
132.95818	4.0
133.06511	1.4
133.10130	57.8
135.08057	1.8
135.11691	51.9
137.05956	3.2
137.09618	3.9
143.08569	1.5
146.07262	1.3
150.96890	1.4
151.04034	0.8
151.11157	5.1
155.08589	1.4
155.97430	2.5
161.09615	30.8
163.66258	0.6
167.10677	1.6
173.98506	1.9
179.10672	100.0
197.11729	93.9
197.13142	3.4
203.47234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1537
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03953	1.3
55.01868	2.0
55.05511	25.4
57.03431	3.9
57.07075	2.3
59.04974	0.7
65.03942	0.6
66.65866	0.6
67.05505	29.3
69.03430	0.9
69.07066	25.2
70.95857	0.8
71.04993	10.2
71.28970	0.9
73.06560	1.4
77.03939	0.7
77.76551	0.5
78.21693	0.5
79.05489	13.5
81.07056	72.9
83.04978	5.5
83.08617	22.4
83.09124	0.7
85.06547	10.9
87.04484	1.1
91.05482	18.2
93.07044	24.0
95.04981	1.7
95.08607	100.0
97.06532	19.8
97.10165	10.8
99.08103	4.7
101.06040	1.4
101.77145	0.6
103.75574	0.6
105.07031	26.4
107.08593	12.9
109.06529	4.1
109.10165	6.9
111.08107	4.3
111.86732	0.6
113.06034	1.0
113.09665	1.7
115.07568	1.8
117.07049	1.7
119.08584	40.1
121.10149	13.7
123.08072	8.4
123.11740	1.0
125.09610	0.8
127.07585	1.4
131.08580	0.8
132.95836	1.8
133.10132	24.3
134.10497	0.7
135.11690	24.5
137.09601	2.9
137.13255	27.5
141.09106	2.1
150.96936	1.3
151.11156	1.1
151.14844	1.8
155.97452	1.2
157.76952	0.6
159.11757	0.7
161.13257	77.3
162.13599	0.9
173.98460	0.8
179.14313	46.0
197.15356	11.8
198.18510	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	197.1538
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03935	1.6
53.83048	1.7
55.01882	2.6
55.05269	2.5
55.05518	29.0
57.03434	5.0
57.07075	3.1
59.05016	1.5
60.72876	1.6
67.05510	32.7
69.03430	1.6
69.07080	28.0
70.95858	5.5
71.05004	10.9
71.51833	2.1
72.93787	1.8
73.06565	2.2
79.05504	18.5
81.07065	86.8
83.04992	7.9
83.08627	24.2
85.06559	14.9
91.05489	20.1
93.07049	27.8
95.04980	3.7
95.08618	100.0
97.06535	24.0
97.10178	9.9
99.08096	6.9
105.07041	33.5
107.08611	19.2
109.06551	7.1
109.10181	9.0
111.08086	4.1
111.98470	7.8
115.07547	1.9
115.33057	1.3
119.08592	41.6
121.10162	16.2
123.08074	11.9
123.11747	2.6
127.07608	2.6
132.95828	13.6
133.10139	35.9
135.11700	34.3
137.05980	4.3
137.09598	3.7
137.13271	26.7
150.96935	12.1
151.03903	4.2
154.38019	1.4
155.97427	9.2
161.09624	4.1
161.13269	86.1
162.13681	1.7
173.98512	9.9
179.07043	1.8
179.10756	10.9
179.14325	44.8
197.10014	2.2
197.11722	13.5
197.13400	2.0
197.15433	13.0
198.16806	2.6
198.18512	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	199.0966
Annotation	1-(3,4-Dimethoxyphenyl)ethane-1,2-diol
Peak:m/z	Relative Intensity
53.03947	3.1
53.57697	0.4
55.01873	3.4
55.05494	1.9
57.07076	0.6
67.05508	3.4
68.04507	0.4
68.31096	0.4
69.03432	0.8
69.07065	2.3
69.38593	1.2
69.38988	2.3
74.09709	1.9
77.03920	1.1
79.05497	18.4
81.06656	0.6
81.07065	6.5
83.04972	1.4
83.08599	1.0
86.09707	0.6
91.04910	0.6
91.05485	13.5
93.07049	31.3
95.04979	6.2
95.08607	1.4
97.06527	3.0
98.97575	0.5
100.07627	0.4
103.05465	2.1
105.03430	1.0
105.04516	1.2
105.07039	1.1
107.04928	2.6
107.08604	0.8
109.06532	1.3
111.04460	2.1
111.08086	2.3
111.11717	0.7
116.97218	3.1
117.06953	0.5
121.06512	36.1
123.04430	1.5
123.06702	0.6
123.08080	14.9
125.02433	0.5
125.05968	0.5
131.99591	0.7
134.95901	0.9
135.08049	1.8
139.07545	28.1
140.04680	3.2
149.05991	15.8
152.96899	0.6
153.09016	0.5
155.07037	1.0
157.97455	0.5
163.07579	0.8
164.07027	0.4
167.07045	100.0
168.07327	0.7
172.65364	0.5
174.97815	0.4
175.98466	2.6
181.08597	1.5
185.08075	1.8
199.03966	0.5
199.07648	0.5
199.09595	1.1
199.11273	0.7
199.18922	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	199.1331
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03943	1.1
55.01860	0.9
55.05516	19.1
57.03418	0.8
57.07083	10.1
58.07395	0.8
63.96957	0.5
65.03932	0.7
67.05508	3.9
68.31105	0.6
68.77588	0.5
69.03430	1.1
69.07073	5.0
69.48070	1.8
69.48481	2.3
70.07423	0.7
71.08624	0.7
72.04513	1.1
72.08961	0.6
74.09727	8.0
79.05503	3.6
79.96018	0.5
81.07054	5.5
83.04989	9.4
83.08621	1.8
85.06551	4.5
87.05327	0.6
91.05482	2.5
93.07047	9.8
95.04972	1.1
95.08614	10.6
97.06553	5.1
98.10517	0.7
98.97591	1.4
100.07639	2.7
105.07028	3.3
107.04993	0.7
107.08605	17.9
109.06527	4.0
109.10135	3.2
111.04451	100.0
111.08082	3.4
111.11741	1.0
112.04793	0.9
113.06029	2.2
115.95667	0.6
116.97229	2.9
117.07008	1.2
119.08618	1.0
121.06469	3.1
121.10165	2.2
122.07294	1.2
123.08107	1.7
125.06001	28.5
127.07560	2.9
130.07834	0.7
131.99556	0.7
134.95927	0.8
135.08075	15.0
135.11705	19.9
136.12054	0.6
137.13268	1.4
139.07578	2.7
140.04700	1.0
143.08601	1.7
145.10144	16.5
148.08873	0.8
152.96915	0.6
153.12747	6.1
157.06526	2.7
157.10161	1.3
157.97513	0.8
158.15421	1.0
163.11198	21.5
171.11700	0.7
175.98564	2.3
181.12247	38.7
182.08310	0.7
184.08870	1.4
199.07591	1.8
199.11255	4.8
199.13066	1.2
199.14984	2.9
199.18910	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	200.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97792	0.3
56.96569	4.6
66.14096	0.3
69.93640	1.6
69.93970	0.4
71.95274	1.3
84.60941	0.3
98.97589	100.0
116.98627	39.9
134.99664	9.3
136.31509	0.3
140.00177	2.9
153.00645	0.7
158.01266	2.0
158.99641	0.7
165.39549	0.3
177.00708	4.0
178.36060	0.3
181.58929	0.3
195.01738	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.091
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
57.07097	0.3
57.58680	0.3
60.78083	0.3
69.45738	2.0
81.07069	0.4
81.09747	0.3
91.05476	0.3
93.07046	0.5
95.08592	0.4
98.21535	0.6
105.07047	0.8
107.08578	0.8
115.05450	3.2
116.06255	0.6
117.07002	0.6
119.08600	0.7
121.10173	0.4
128.06215	1.8
129.06996	4.9
129.47249	0.3
130.07788	5.9
131.08574	0.8
139.05415	0.7
140.06229	2.2
141.07001	1.7
143.04884	1.6
144.05708	0.5
145.06494	0.3
145.10126	2.8
155.04869	0.4
156.05695	0.9
157.06488	40.0
158.07278	25.8
159.11690	1.9
161.06036	0.3
170.07301	0.5
171.04460	0.9
171.08080	0.4
172.05180	1.0
173.13290	0.3
185.05972	3.7
185.50800	0.3
186.06758	17.7
187.07057	0.4
201.09108	100.0
201.16339	3.2
202.09482	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	201.091
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
51.84819	0.3
58.98510	0.2
115.05444	2.5
116.06220	0.7
128.06203	1.9
129.07019	4.8
130.07790	4.9
130.97501	0.2
139.05373	0.6
140.06218	2.0
141.06993	1.7
143.04898	1.6
144.05702	0.5
145.10104	0.3
155.04947	0.3
156.05650	1.2
157.06490	39.6
158.07278	25.3
158.08266	0.3
158.08704	0.3
159.11618	0.3
170.07199	0.3
171.04422	1.0
172.05183	1.0
173.09554	0.4
185.05975	3.8
186.06769	18.0
190.42735	0.2
201.09105	100.0
202.09459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1123
Annotation	Gelsemiol
Peak:m/z	Relative Intensity
53.03951	4.4
55.01869	5.5
55.05509	7.3
57.03427	2.4
57.07061	2.2
65.39579	2.1
67.05510	48.2
69.03433	6.4
69.07065	6.0
69.91699	1.5
70.06603	3.3
71.04995	5.7
71.50861	2.9
72.08157	4.3
73.02903	2.4
79.05499	25.0
81.03429	5.2
81.07059	38.4
83.04992	10.9
83.08646	3.2
85.02926	2.8
85.06546	2.3
86.09734	4.1
91.05482	38.9
93.07047	39.0
95.04970	36.5
95.08615	100.0
97.02923	3.4
97.06533	4.2
99.04485	2.5
105.07035	20.2
107.04922	4.6
107.08598	17.4
109.02895	16.1
109.06535	10.9
109.10167	25.5
111.08040	4.1
115.05477	6.6
117.07003	13.2
118.96790	6.1
119.08589	65.7
121.06535	2.2
121.10155	5.2
123.08099	10.1
124.69993	1.8
127.03928	25.4
128.06300	2.2
129.07022	3.5
131.08569	12.5
133.06473	1.9
133.10129	4.1
135.08087	3.4
137.09618	38.5
141.05498	6.9
141.07074	5.0
141.09090	2.0
142.07758	2.8
143.08568	5.0
144.05739	2.8
145.06503	8.0
145.10143	17.2
147.08070	8.1
151.07573	4.6
153.09122	4.0
154.96561	2.3
155.07051	15.2
155.08595	5.0
155.10654	2.8
157.06506	7.0
157.10088	1.9
158.03648	3.8
158.07274	4.4
158.10918	3.0
159.08104	5.8
159.11688	15.8
165.09134	65.0
165.10522	3.4
169.08609	18.0
173.06004	7.0
173.09668	4.7
173.13280	7.7
177.98030	4.5
183.04338	1.8
183.06673	8.7
183.08044	3.4
183.10193	16.5
183.11671	3.2
186.06752	2.5
201.05461	13.8
201.07234	2.7
201.09160	28.1
201.11208	3.8
201.12798	17.6
201.14378	2.1
201.14729	1.9
201.16396	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	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
51.84673	1.3
71.52924	1.6
73.79435	1.1
81.07046	2.6
83.85138	1.5
91.05489	7.8
105.07040	4.0
116.06252	3.4
117.06999	1.7
119.08617	2.5
128.14363	3.5
129.06992	3.3
130.07780	3.1
131.08575	100.0
132.08919	1.4
133.10144	8.5
142.07776	1.3
145.10130	18.1
155.04265	1.2
157.06477	3.1
157.10135	11.7
158.07266	1.6
158.11069	1.5
159.11703	54.7
160.11980	1.2
172.12514	6.2
173.13278	16.5
186.13991	1.3
201.09071	8.8
201.16393	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06120	0.4
55.04954	0.4
55.42376	0.4
56.96557	1.3
58.99881	0.4
71.17952	0.4
72.99722	0.4
82.01431	0.7
82.99824	3.8
83.99911	0.7
98.97593	3.2
100.02479	0.8
100.97150	1.1
101.00882	39.5
101.97184	3.1
102.00950	13.8
102.96877	6.4
103.00639	1.3
113.00868	0.7
116.98617	1.4
118.03484	0.5
118.04228	0.4
119.01922	100.0
119.98254	1.1
120.02005	30.4
120.96567	0.4
120.97918	2.8
121.01668	3.2
121.02385	0.5
124.02441	1.0
125.02614	1.3
125.34414	0.4
131.01904	1.4
134.99675	0.6
136.76534	0.5
137.02956	21.7
138.03055	5.7
138.99004	1.0
139.02480	0.7
142.03503	5.1
143.01971	3.6
143.03627	13.9
144.02176	0.5
144.03268	1.5
145.03418	0.5
157.03499	2.8
160.04561	0.6
161.02965	25.5
161.04655	3.2
162.00606	0.5
162.03075	11.8
163.02737	1.0
172.52277	0.5
173.03058	0.9
175.04552	0.8
179.00778	1.0
179.04013	25.1
179.99168	0.6
180.04112	16.5
181.03757	1.1
181.32791	0.4
181.52777	2.3
184.03110	2.5
184.04489	0.6
185.03024	0.5
185.04697	1.1
186.15479	0.4
191.03954	0.5
193.03580	3.1
202.05696	0.5
202.58321	0.4
203.02267	0.5
203.03976	1.2
203.05713	0.9
203.07466	0.6
220.99940	0.4
221.01691	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01672	0.4
55.01874	4.0
56.96339	0.6
56.96568	6.8
57.03441	13.8
58.99862	3.8
59.99976	0.4
61.02933	4.4
65.36508	0.4
68.02631	0.7
68.98283	0.5
68.99799	0.8
69.03430	11.8
69.45507	2.7
69.45914	0.7
70.99855	5.0
71.01337	2.1
71.04994	1.8
71.95272	0.5
73.02921	27.2
77.00912	7.0
79.02149	0.7
81.03424	11.9
82.01444	2.1
82.99836	5.1
83.99937	1.0
85.02906	9.8
86.03689	6.7
87.04455	0.8
88.02680	1.3
88.61333	0.5
89.00902	8.3
91.03937	0.7
93.01895	1.9
95.01956	1.7
97.02895	35.7
98.03223	0.5
98.97593	10.4
98.99354	0.6
99.04458	2.2
100.00072	1.2
100.02524	4.5
100.97201	1.0
101.00886	50.8
101.02299	1.2
101.97197	2.2
102.00950	11.6
102.02409	3.0
102.96869	6.9
103.00639	1.8
103.02496	0.6
103.03218	0.7
103.03902	0.7
106.02645	0.7
107.01942	1.4
107.03430	0.6
108.02443	0.8
109.02872	8.4
110.97573	1.4
111.02920	5.3
112.02655	0.8
113.00867	3.7
113.01530	0.6
113.02370	0.8
114.02400	0.7
114.97055	0.9
115.02438	2.8
116.98645	5.1
116.99409	0.8
117.00378	1.4
118.01141	1.0
118.02679	0.8
118.03529	1.4
119.01926	100.0
119.98255	1.0
120.02003	30.3
120.03477	2.0
120.86217	0.6
120.97897	3.9
121.01633	3.6
121.03178	1.3
122.02167	1.6
123.02919	2.3
124.99163	0.9
125.02567	1.9
125.99999	1.7
126.02412	0.6
126.98800	1.9
127.02395	3.6
127.03254	0.5
127.03925	4.7
128.98595	0.6
129.00333	0.6
129.02939	1.4
129.04001	2.8
130.03691	1.9
131.01881	6.8
131.02693	1.0
132.03445	4.0
132.98119	0.6
133.03436	2.0
133.99783	0.7
134.99675	1.1
135.00523	2.3
135.01408	7.6
135.02911	0.8
136.03702	1.9
137.02968	22.6
138.03059	6.1
138.96410	1.8
138.98924	1.2
139.02434	6.5
139.04141	3.7
140.03157	1.3
141.00429	0.7
141.03960	4.7
142.01149	1.5
142.03542	5.2
143.00212	0.9
143.01907	10.0
143.03615	14.3
144.02168	0.6
144.03314	2.5
144.99826	7.2
145.03371	9.1
145.04480	0.7
146.03255	0.7
147.01424	0.9
147.02901	0.7
147.03966	8.9
147.05031	1.1
147.99492	0.8
148.04770	1.7
149.03052	0.5
150.03445	1.2
151.04250	0.9
152.03174	0.7
153.02460	4.9
153.03967	6.1
154.04768	1.6
155.01944	2.9
155.03708	0.9
156.04507	2.5
156.97510	6.4
156.99905	0.8
157.03467	14.7
159.01437	0.6
159.03981	2.6
159.99547	0.9
160.02226	0.6
160.04677	1.2
161.02942	27.1
161.04651	2.3
161.98111	1.0
162.03099	10.4
162.04422	0.8
163.00909	3.2
163.02704	0.8
163.04553	1.3
164.53700	0.8
165.04008	1.5
167.00522	0.6
167.01869	2.7
168.01340	0.7
168.02779	0.9
169.00063	4.8
169.03543	2.8
169.04857	0.6
171.05089	0.7
172.02164	1.1
172.52271	1.7
173.02985	4.4
173.54247	0.7
174.04518	7.0
174.54468	0.5
174.98572	2.8
175.04559	2.2
179.04016	24.5
179.99173	9.1
180.01666	0.6
180.04103	15.6
181.03726	1.2
181.52808	4.2
183.05023	26.9
183.55098	1.1
184.03154	4.5
184.04565	1.0
184.53258	0.9
184.99364	0.8
185.02980	11.4
185.04616	1.2
187.04543	1.9
189.02477	0.7
191.03996	1.4
192.05554	20.2
192.55698	1.1
193.03604	5.5
193.53754	1.0
196.02214	0.8
197.03033	0.8
198.00351	5.3
199.04608	0.7
200.54765	1.0
201.00781	0.7
201.06081	17.5
201.56230	1.1
203.00528	4.2
203.02039	0.8
203.04022	14.2
203.05608	0.8
203.56372	1.4
220.98022	0.6
221.01985	2.3
221.05074	32.9
222.05272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1068
Annotation	Tremetone
Peak:m/z	Relative Intensity
55.05508	1.3
57.03424	0.7
57.07061	0.5
57.88182	0.4
65.03928	0.5
67.05503	3.5
69.07072	3.1
70.77258	0.9
70.77650	0.9
79.05502	2.6
81.06599	0.5
81.07065	7.7
82.43597	0.4
83.08620	0.7
84.07642	0.4
91.05473	3.6
93.07057	2.7
94.26894	0.4
95.08620	8.6
103.05464	1.0
103.86083	0.4
105.07039	8.6
107.08599	4.4
109.10172	9.0
115.05457	5.2
117.07063	2.0
117.07806	0.4
119.07726	0.5
119.08580	8.9
121.10163	3.1
121.71978	0.4
123.11701	1.4
127.05463	0.7
128.06236	25.2
129.07028	4.4
130.07668	0.4
131.04942	1.5
131.08563	1.0
133.10138	7.9
135.11711	0.9
137.05988	1.0
141.07013	1.7
142.07803	1.8
143.04919	2.2
143.08572	28.6
144.05730	1.2
145.06505	8.5
145.10139	2.6
147.08072	0.6
147.11691	11.6
152.06158	0.5
153.07010	1.2
155.06087	2.1
156.05695	1.1
157.06488	4.3
157.10164	0.8
158.07277	1.3
158.39648	0.4
159.04399	2.7
159.08073	5.9
160.05203	5.9
160.08839	2.7
160.12442	0.8
161.06024	2.3
161.09598	0.5
161.13269	2.9
169.06401	0.7
169.07755	0.6
170.07253	0.7
171.04552	0.8
171.08063	26.7
172.08842	15.7
173.06007	11.8
173.09573	0.6
174.06779	13.2
175.07567	16.9
175.11224	0.9
175.14774	1.0
187.07599	0.9
188.04715	1.5
188.06543	0.5
188.08336	42.0
203.07280	5.8
203.10686	100.0
203.17976	16.9
204.11017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1392
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
55.01865	1.8
55.05502	3.1
56.96571	6.2
57.03448	1.2
60.04531	8.4
61.02918	1.4
67.05501	2.5
68.05028	1.8
69.03425	3.2
69.99673	3.3
70.06587	1.8
71.01369	1.0
71.05001	1.5
71.59731	0.9
72.08144	2.1
73.02907	0.8
79.05490	2.4
81.03434	1.9
81.07047	3.9
83.05000	1.7
83.08621	1.5
84.04495	3.3
84.08154	2.5
85.02895	3.1
85.04825	1.2
86.09713	100.0
87.04474	1.2
91.05493	4.1
93.07012	1.4
95.04993	1.7
95.08612	2.7
96.04510	4.2
97.02897	5.8
98.06075	1.1
98.20702	0.8
98.97588	7.5
99.04461	1.1
101.00837	1.0
101.95042	0.9
102.96864	3.8
105.07028	3.2
107.04937	2.3
107.08563	1.0
109.06498	2.1
109.11848	0.8
110.01287	1.3
110.97557	1.4
111.04439	1.1
112.11250	2.0
114.05510	2.9
115.02291	2.2
115.03902	1.2
115.05466	1.4
116.98607	1.9
117.07011	1.7
119.01854	3.3
119.08630	1.8
120.96521	1.8
120.97909	1.7
123.08086	3.8
124.02825	1.1
126.05531	3.0
128.02330	4.4
128.06206	2.4
129.07007	3.2
130.06514	1.2
131.04909	1.3
132.10211	88.0
133.06512	1.6
133.10089	0.9
137.05977	2.9
138.05527	1.3
143.01794	0.8
143.03438	1.3
143.04951	2.0
145.06540	1.2
147.08044	3.6
157.06464	3.4
157.07591	1.3
157.10075	1.0
157.12169	1.1
157.13377	15.0
158.11797	1.4
158.99678	3.1
160.05272	2.0
161.03008	1.0
161.04613	1.5
161.05937	1.0
161.09659	0.9
162.98929	2.1
168.06584	1.2
171.04425	1.9
172.08730	1.9
173.04701	1.3
173.06053	1.0
174.04414	2.0
175.03938	1.7
175.07564	6.1
175.11086	0.8
177.00700	2.9
179.97911	1.6
180.99998	1.6
182.05170	4.9
183.05029	1.3
185.06023	2.7
185.09877	1.2
185.13310	1.0
188.04674	1.3
188.08290	1.4
191.05605	1.1
192.05498	1.8
199.02713	1.6
201.06003	2.9
203.03381	3.0
203.05275	3.8
203.07039	15.4
203.10680	6.8
203.13902	7.2
203.17886	1.2
204.08661	3.5
204.13802	1.0
211.02902	1.4
219.01776	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
54.86494	0.9
55.05516	8.4
57.07078	1.9
65.03951	1.4
67.05511	37.7
69.07072	19.2
69.39140	8.3
79.05497	7.9
81.07066	45.0
83.08626	5.5
91.05483	10.2
93.07052	16.3
95.08618	65.3
97.10195	1.1
105.07044	48.7
107.08605	25.6
109.10167	100.0
115.05467	1.1
117.07000	1.5
119.08592	47.2
121.10156	16.0
123.11725	9.1
131.08566	2.6
133.10144	28.3
135.11694	6.4
136.90834	1.0
145.10162	4.4
147.11696	70.6
156.74432	1.1
159.11661	2.0
160.05194	2.2
160.12471	2.5
161.13271	18.7
171.04343	1.3
172.08919	1.3
173.13278	1.4
175.07559	1.5
175.14838	5.8
184.41347	0.9
188.04680	2.3
188.15453	1.2
200.61612	1.0
201.18883	0.9
202.07816	3.5
203.06985	7.8
203.08702	12.3
203.10561	2.3
203.17979	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03938	1.8
55.05280	1.0
55.05516	10.4
57.07076	3.8
67.05508	30.8
69.07070	21.1
69.74236	2.1
69.74647	1.6
79.05493	7.9
81.07058	44.2
83.08621	5.0
91.05479	10.1
93.06488	1.2
93.07048	17.4
95.08610	60.7
97.10178	1.8
105.07037	56.0
107.08594	24.2
109.10160	75.9
115.05402	0.9
117.07037	6.2
119.08588	52.5
121.09340	1.2
121.10149	18.8
123.11712	10.8
123.66419	0.7
128.06247	0.7
131.08543	2.7
133.10136	34.8
135.11699	8.1
137.13185	0.7
143.08545	0.9
145.10135	6.5
147.11693	70.2
148.12274	1.2
157.10121	1.3
159.11708	4.6
160.12488	3.0
161.09674	0.7
161.13263	23.3
175.07570	1.0
175.14845	9.4
185.13200	1.2
203.07019	2.4
203.10640	1.3
203.14447	6.4
203.17963	100.0
203.21907	8.6
204.18387	1.4
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	Tenuifolene
Peak:m/z	Relative Intensity
51.17697	0.7
53.03942	2.6
55.05514	13.9
57.07067	3.7
60.04524	1.9
67.05506	21.0
69.06688	1.4
69.07072	30.5
69.52962	4.9
79.05486	10.8
81.07059	63.3
81.64300	1.0
83.08623	8.2
84.04508	1.7
91.05483	15.9
93.07042	21.0
95.04975	1.6
95.08611	53.4
96.04453	1.0
97.02898	1.9
97.10157	2.8
98.21592	0.9
103.05460	1.0
105.07033	73.2
107.08598	29.8
109.06509	1.6
109.10162	46.8
115.05434	2.7
117.06996	3.2
119.08585	74.0
121.10142	20.3
123.10832	1.4
123.11711	18.4
126.05515	2.3
128.06195	2.8
129.06992	4.1
131.08589	4.0
132.09378	0.9
133.06465	1.6
133.10133	51.9
135.11702	9.3
137.89363	0.9
143.04959	1.4
143.08559	1.9
145.06474	2.7
145.10123	9.5
146.10870	1.1
147.11691	79.8
148.12460	2.4
157.06459	3.2
157.10120	1.7
159.08115	2.0
159.11659	3.5
160.05237	1.7
160.12457	5.8
161.06001	1.1
161.09604	1.7
161.13261	30.0
171.04427	3.3
172.08868	11.8
173.05992	7.1
175.07590	5.0
175.11244	0.9
175.14798	9.5
185.13232	1.7
188.08336	16.1
202.07738	1.3
203.03476	1.4
203.06914	9.2
203.08623	2.6
203.10681	36.4
203.14328	8.5
203.17960	100.0
204.06487	1.1
204.08704	1.5
204.13799	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05509	7.0
57.06830	0.9
57.07079	10.1
57.85439	0.8
58.18193	0.8
60.04520	2.2
66.89105	0.7
67.05508	11.1
69.06792	0.8
69.07076	8.9
69.60321	0.7
70.62140	0.7
71.52019	1.2
71.52411	0.9
79.05489	4.8
81.06596	1.6
81.07063	25.6
83.08620	3.0
84.04504	1.9
91.05490	9.4
93.06556	1.0
93.07053	9.0
95.08617	33.6
105.07037	33.6
107.08601	18.6
109.10166	21.1
115.05509	1.1
117.07065	1.4
119.08591	46.2
120.96571	0.8
121.10154	11.9
123.11749	4.1
126.05495	1.9
129.07025	1.0
131.08537	4.0
133.10147	42.1
135.11726	3.8
143.08562	2.7
145.10130	5.3
147.11700	65.8
159.11658	3.2
160.12471	2.3
161.05969	1.0
161.13272	27.9
171.04376	1.3
172.08786	1.7
174.14047	1.4
175.14841	7.5
179.97882	1.1
180.08606	1.0
185.13336	1.5
188.08331	2.4
203.06938	4.7
203.10710	5.1
203.14326	5.8
203.17972	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	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.51939	1.0
55.05501	4.7
57.07075	14.4
60.04530	1.5
67.05508	9.2
69.07067	11.5
71.52657	1.2
71.53066	1.1
75.01322	1.1
79.05502	2.6
81.07045	8.0
83.08610	3.6
84.04517	2.5
91.05470	9.2
93.07045	4.2
95.08607	21.7
96.04475	1.8
97.10192	1.2
98.06053	1.1
105.07034	36.3
105.45924	1.1
107.08607	12.5
109.10163	18.4
117.07018	1.6
119.08586	49.1
121.10162	12.1
123.11738	3.1
126.05490	3.5
131.08563	3.2
133.09122	2.7
133.10132	54.5
135.11682	3.0
145.10138	9.0
147.11694	75.7
157.10091	1.3
159.11661	3.2
160.12492	4.6
161.13264	38.1
171.04442	2.1
173.13257	1.5
175.14818	6.0
176.85115	1.2
185.09686	1.2
185.13364	1.9
188.08412	1.6
203.05379	1.8
203.06900	7.0
203.08803	1.5
203.10658	5.5
203.17969	100.0
204.08681	2.7
204.18211	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05502	7.0
57.07067	2.4
60.04498	1.7
67.05511	8.9
69.07071	8.1
69.29240	6.8
69.29646	2.2
79.05510	4.6
81.07058	9.4
83.08606	3.8
84.04492	2.0
91.05484	9.0
93.07047	6.3
95.08613	26.9
97.02903	1.9
97.10165	1.2
105.07034	32.8
107.08589	15.4
109.10162	18.6
117.07034	1.5
119.08581	40.0
121.10140	10.0
123.11685	2.9
126.05517	3.7
131.08594	4.1
133.10138	47.8
135.11664	2.0
145.10118	5.0
147.11696	37.8
159.11696	5.4
160.05070	1.0
160.12517	1.9
161.13274	18.4
174.14067	2.5
175.14862	7.3
188.08289	2.5
188.15547	1.5
191.68169	0.9
203.05319	1.3
203.07019	3.2
203.08783	1.0
203.10681	3.5
203.17960	100.0
204.08711	2.7
204.13760	1.3
209.47943	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.086
Annotation	Frustulosinol
Peak:m/z	Relative Intensity
50.01083	0.5
50.73551	0.5
54.29282	0.5
56.73229	0.5
71.52211	0.7
78.32791	0.5
80.53526	0.5
81.03434	1.2
91.05517	1.8
97.02938	0.6
103.05482	0.9
105.07047	1.0
108.43552	0.5
109.02901	0.7
115.05453	25.7
116.06261	0.9
117.07011	9.1
119.08569	0.8
121.06570	0.7
121.10130	0.6
122.03673	1.2
128.06186	0.8
129.07024	2.4
131.04909	2.5
131.08626	0.7
132.05699	2.4
135.80966	0.5
137.05981	19.0
143.04929	13.8
144.05704	10.7
145.06479	5.4
146.07268	1.8
147.04411	2.9
147.08052	1.7
149.02359	2.0
151.03876	0.9
155.06036	1.4
159.04459	2.7
159.08067	1.2
160.05202	45.7
161.05934	2.8
162.06752	0.8
163.51964	0.5
172.05193	12.1
173.06004	3.9
174.06801	9.7
175.04175	4.3
175.07549	100.0
176.07922	1.1
177.09143	4.7
187.07544	46.1
188.08051	0.7
189.05495	0.8
190.06244	22.0
190.08832	1.0
205.06599	3.0
205.08583	46.2
205.11464	1.2
205.15892	0.9
206.08929	1.0
209.01384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49604	0.5
53.03927	0.6
53.92861	0.5
57.07076	0.6
65.03932	1.0
66.63319	0.5
67.05494	0.9
69.03431	1.1
71.03072	1.0
71.04964	1.1
78.04713	0.5
79.05485	1.4
80.19794	0.4
81.03414	1.4
81.07042	1.3
85.02898	2.4
89.03901	2.5
91.05476	4.9
93.07039	1.8
95.04975	1.0
97.02898	2.5
97.06532	0.6
99.04457	1.2
100.11256	0.6
103.05453	2.2
105.03351	0.7
105.06335	0.6
105.07021	8.4
106.04182	1.2
107.04984	0.6
107.08585	2.1
109.02853	1.3
109.06529	2.1
115.05460	23.0
116.06246	0.9
117.03384	2.8
117.07024	14.8
119.04925	0.6
119.08578	3.7
121.02847	0.7
121.06510	2.4
121.10136	1.2
128.06221	1.4
129.06979	2.8
130.07791	2.0
131.04924	1.7
131.08574	3.6
132.05687	2.4
133.10095	0.7
134.03595	3.2
135.04475	0.7
137.05984	11.4
141.07005	0.7
143.04921	13.1
143.08566	1.4
144.05705	11.1
144.09364	1.2
145.02841	3.1
145.06482	10.4
145.10126	28.4
147.00771	1.2
147.04414	0.7
147.08052	2.5
147.11674	2.0
149.02345	4.6
149.04958	0.5
149.05978	3.6
149.09634	0.6
155.06065	1.9
158.11067	0.6
159.04414	1.1
159.08104	1.6
159.11694	9.2
160.05205	44.9
161.05975	2.2
162.03122	3.4
163.03862	0.6
163.07571	0.7
163.11174	1.1
166.02498	0.6
172.05191	8.0
173.06012	6.9
175.07552	100.0
176.07889	0.8
177.05490	6.7
177.09103	1.5
177.12808	1.5
178.95731	0.5
187.07552	46.4
187.11060	3.7
187.14830	1.3
188.07899	0.7
189.01868	0.6
190.02580	3.8
190.06268	2.2
205.04921	7.6
205.06580	1.7
205.08559	9.7
205.12260	12.4
205.15926	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	205.0861
Annotation	Frustulosinol
Peak:m/z	Relative Intensity
51.10936	0.9
55.01873	1.2
57.07100	1.3
65.03927	1.8
65.53973	0.9
67.05478	2.0
69.03433	3.9
69.70602	5.8
78.95261	1.1
79.05510	1.3
81.03416	2.6
81.07037	2.0
85.02897	2.6
91.04993	1.0
91.05488	5.4
93.07047	2.6
95.08618	2.2
97.02897	4.4
99.04462	2.4
100.92830	0.9
103.05498	2.5
105.07053	4.2
107.08588	3.8
109.02889	3.5
109.10179	1.5
115.05459	22.8
117.06234	1.8
117.07029	27.1
119.08604	2.5
121.02904	1.1
121.06500	1.8
121.10188	1.8
123.08064	1.1
127.03944	1.7
128.06291	1.5
129.07016	1.8
131.04982	4.9
131.08578	1.9
132.05766	2.5
133.10139	1.0
135.11592	1.0
137.05984	1.9
143.04947	12.9
144.05724	10.4
145.06500	26.9
145.10138	5.7
147.08060	4.4
147.11670	1.1
149.02341	10.4
149.05919	1.2
149.09633	1.2
155.06076	3.2
156.48845	1.0
159.08052	2.9
159.11710	3.6
160.05209	45.2
161.06000	8.3
162.06792	1.0
163.07565	2.2
163.11208	2.2
169.06505	1.1
172.05235	8.2
173.06001	8.0
175.07564	100.0
177.07016	1.3
177.07732	1.0
177.09116	7.8
187.07555	47.4
187.11229	1.5
187.14790	1.7
196.45316	1.0
205.06563	3.4
205.08646	10.8
205.12254	7.0
205.15918	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0861
Annotation	Frustulosinol
Peak:m/z	Relative Intensity
50.49604	0.5
53.03927	0.6
53.92861	0.5
57.07076	0.6
65.03932	1.0
66.63319	0.5
67.05494	0.9
69.03431	1.1
71.03072	1.0
71.04964	1.1
78.04713	0.5
79.05485	1.4
80.19794	0.4
81.03414	1.4
81.07042	1.3
85.02898	2.4
89.03901	2.5
91.05476	4.9
93.07039	1.8
95.04975	1.0
97.02898	2.5
97.06532	0.6
99.04457	1.2
100.11256	0.6
103.05453	2.2
105.03351	0.7
105.06335	0.6
105.07021	8.4
106.04182	1.2
107.04984	0.6
107.08585	2.1
109.02853	1.3
109.06529	2.1
115.05460	23.0
116.06246	0.9
117.03384	2.8
117.07024	14.8
119.04925	0.6
119.08578	3.7
121.02847	0.7
121.06510	2.4
121.10136	1.2
128.06221	1.4
129.06979	2.8
130.07791	2.0
131.04924	1.7
131.08574	3.6
132.05687	2.4
133.10095	0.7
134.03595	3.2
135.04475	0.7
137.05984	11.4
141.07005	0.7
143.04921	13.1
143.08566	1.4
144.05705	11.1
144.09364	1.2
145.02841	3.1
145.06482	10.4
145.10126	28.4
147.00771	1.2
147.04414	0.7
147.08052	2.5
147.11674	2.0
149.02345	4.6
149.04958	0.5
149.05978	3.6
149.09634	0.6
155.06065	1.9
158.11067	0.6
159.04414	1.1
159.08104	1.6
159.11694	9.2
160.05205	44.9
161.05975	2.2
162.03122	3.4
163.03862	0.6
163.07571	0.7
163.11174	1.1
166.02498	0.6
172.05191	8.0
173.06012	6.9
175.07552	100.0
176.07889	0.8
177.05490	6.7
177.09103	1.5
177.12808	1.5
178.95731	0.5
187.07552	46.4
187.11060	3.7
187.14830	1.3
188.07899	0.7
189.01868	0.6
190.02580	3.8
190.06268	2.2
205.04921	7.6
205.06580	1.7
205.08559	9.7
205.12260	12.4
205.15926	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	205.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
53.03953	3.9
55.01882	0.4
55.05506	0.4
56.10361	0.2
56.96787	0.2
57.07077	0.6
60.04515	0.5
61.26795	0.2
65.03930	0.4
67.05516	0.6
69.03434	0.9
69.07056	0.3
71.04994	0.3
71.52944	0.4
77.94930	0.2
79.05502	0.9
81.03420	100.0
81.07047	0.8
82.03768	0.5
85.02912	1.7
91.05473	2.7
93.07050	0.9
94.04198	1.7
95.04958	0.8
95.08614	0.8
97.02895	2.0
99.04475	0.7
103.05464	1.7
105.07034	2.3
105.57257	0.3
107.04990	0.3
107.08598	1.0
109.02936	1.2
109.06519	1.6
109.10200	0.3
115.04811	0.2
115.05457	9.2
117.07020	13.1
119.08607	1.5
121.02898	0.4
121.06508	0.7
121.10155	0.7
122.03656	5.4
127.03938	0.8
128.06219	0.3
129.07018	0.8
130.04147	0.9
130.07765	0.7
131.04897	1.4
131.08571	1.3
133.10159	0.3
135.08025	0.2
135.11697	0.4
137.05981	50.4
138.06316	0.5
139.96640	0.3
141.06958	0.3
143.04924	1.0
143.08607	0.5
144.05704	0.7
144.09384	0.4
145.06487	19.6
145.10126	7.9
146.06032	0.8
147.04451	0.3
149.02353	3.9
149.06001	0.4
151.03905	2.0
151.04939	0.3
155.04881	0.5
155.06046	3.9
159.08009	0.7
159.11717	2.7
160.05186	1.5
161.06009	1.6
163.03957	0.4
163.07591	0.8
163.11179	0.8
163.96938	0.3
172.05173	0.4
173.05994	10.3
174.06587	0.4
175.07533	3.2
177.05519	0.3
177.09081	2.2
177.12715	0.4
181.97913	0.3
187.07573	1.9
187.11198	0.8
187.14821	0.4
190.06216	2.4
205.04915	0.9
205.06656	0.3
205.08600	8.1
205.12250	3.8
205.15895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0859
Annotation	Frustulosinol
Peak:m/z	Relative Intensity
57.07061	0.7
57.86578	0.4
61.02915	0.4
65.03950	0.6
67.05494	0.9
69.03415	1.7
71.52287	1.0
79.05476	0.9
81.03413	2.5
81.07042	1.6
83.05394	0.5
85.02892	2.3
91.05481	2.8
93.07022	0.8
94.04211	0.8
95.08607	2.1
96.15411	0.5
97.02892	3.4
99.04458	0.9
103.05463	1.7
105.07011	1.8
107.04984	0.5
107.08591	1.3
109.02884	2.0
109.06532	0.5
110.26261	0.6
115.05454	30.6
116.06255	1.4
117.07022	16.9
119.08540	1.7
121.02814	0.7
121.06472	0.9
121.10145	0.9
122.03648	1.7
127.03862	0.6
128.06247	0.9
129.06952	2.7
131.04948	3.2
131.08559	2.5
132.05685	2.2
133.06512	0.7
135.11691	0.6
137.05977	19.1
143.04924	15.2
144.05716	13.1
145.06494	14.3
145.10078	3.9
146.07193	0.6
147.04337	0.7
147.08051	2.5
149.02368	4.7
149.05969	2.1
152.36116	0.6
155.06023	3.3
159.04395	0.6
159.08037	1.6
159.11694	3.6
160.05199	48.9
161.06009	3.0
163.03955	1.0
163.07527	1.6
171.19724	0.5
172.05205	10.5
173.05980	9.6
174.06789	0.9
175.07545	100.0
176.07918	1.6
177.09114	2.3
177.12756	0.9
187.07549	49.6
187.11017	1.0
187.14877	0.9
190.06219	2.2
205.06610	1.3
205.08606	10.1
205.12376	5.4
205.15884	2.0
205.19432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.086
Annotation	Frustulosinol
Peak:m/z	Relative Intensity
50.08044	0.4
51.62890	0.3
57.07063	0.4
67.05493	0.7
69.03416	0.6
69.07050	0.4
70.15803	1.9
70.16109	0.4
71.04984	0.5
79.05495	0.6
81.03403	1.2
81.07050	1.2
82.41773	0.4
87.64685	0.4
91.05475	1.6
93.07047	0.9
94.04178	0.5
94.36002	0.5
99.04452	0.7
103.05450	0.9
105.07020	3.2
107.08589	0.9
109.06516	2.5
115.05460	24.0
116.06262	0.7
117.07021	10.2
119.08569	1.6
121.10133	0.8
122.03626	1.2
128.06218	0.8
129.07021	2.8
129.07880	0.7
130.07803	0.8
131.04942	1.5
131.08577	1.6
132.05690	2.3
137.05983	12.0
143.04930	16.3
143.08531	0.7
144.05710	12.0
144.09308	0.7
145.06487	4.9
145.10124	10.6
147.08041	1.8
149.02402	0.9
151.03908	1.1
155.06050	0.8
159.08092	0.8
159.11725	3.9
160.05205	48.9
161.05884	0.8
163.07591	0.5
172.05197	9.4
173.06000	3.4
174.06796	0.6
175.07549	100.0
176.07986	1.3
177.09106	0.7
187.07547	50.8
187.11159	1.4
190.06271	1.6
205.06480	1.8
205.08623	5.8
205.12218	4.9
205.15880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1226
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
50.01598	0.4
51.02382	0.3
53.03954	3.2
55.01882	1.7
55.05511	1.0
56.96560	0.5
57.03440	0.6
57.07079	1.9
59.05003	0.3
60.04522	0.6
61.02906	0.4
63.92951	0.4
65.03947	0.8
65.21445	0.2
67.05513	1.6
69.03431	3.2
69.07055	0.9
71.01343	0.5
71.04992	0.6
71.51372	0.3
71.67072	0.2
72.08148	0.8
73.02933	0.6
75.45142	0.3
77.03916	0.6
77.45538	0.3
78.95279	1.3
79.05501	1.8
81.03428	3.2
81.07049	1.6
83.04971	1.3
85.02904	3.6
85.06537	1.3
86.08826	0.4
91.05486	18.3
93.07047	57.2
95.04967	4.7
95.08613	0.9
96.04499	0.3
97.02891	5.3
97.04802	0.3
99.04451	1.5
99.18362	0.3
103.05476	3.9
105.04518	1.6
105.07023	3.5
107.04941	1.0
107.08600	2.3
109.02888	3.6
109.06528	1.0
109.10161	0.5
115.05458	2.7
116.06219	0.6
117.07023	5.6
118.06506	0.5
119.04948	0.6
119.08583	2.5
119.97890	1.1
121.02959	2.0
121.06509	100.0
121.10145	1.5
123.11682	0.5
127.03922	2.2
127.05870	0.4
127.07533	0.3
128.06223	0.5
129.07016	2.0
130.07785	0.5
131.04922	1.5
131.08577	3.6
133.06500	1.0
133.10139	0.9
134.09608	0.4
135.04430	0.5
135.08087	2.1
135.11729	1.4
137.05957	0.7
139.07558	0.4
140.95284	0.8
141.06976	1.7
143.04927	0.8
143.08586	0.4
144.05701	1.5
144.08231	0.3
144.09264	1.5
145.06493	5.2
145.10143	1.9
146.05965	0.7
147.04445	0.7
147.08034	1.7
147.11688	0.4
149.02353	13.4
149.05968	2.3
149.09627	1.3
149.13261	0.6
157.06462	0.6
158.07347	0.4
158.96313	0.8
159.04436	0.7
159.08061	3.0
159.11697	6.1
160.05203	1.0
161.05995	1.3
161.09618	0.8
162.06731	0.4
163.03902	0.9
163.07585	1.1
163.11197	1.7
163.96863	1.9
164.07014	0.5
165.07323	0.3
172.08852	0.5
173.06047	1.4
175.07587	3.2
175.11179	0.5
177.05469	1.1
177.09126	2.4
177.12762	2.0
181.15874	0.3
181.97971	1.5
187.04001	0.4
187.05942	0.4
187.07556	5.8
187.11115	1.7
188.07008	0.4
190.09874	0.7
205.04828	1.6
205.06726	0.5
205.08632	6.9
205.12259	22.7
205.13931	0.9
206.11794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
52.22742	0.4
53.03941	1.0
55.01878	1.1
55.05280	0.5
55.05500	2.1
57.03445	0.7
57.07084	2.5
57.20627	0.4
60.04532	0.7
61.02931	0.6
65.03941	0.9
67.05506	3.8
68.26123	0.3
69.03433	5.5
69.07072	2.6
70.64565	0.6
70.64915	0.6
71.04996	4.3
73.02907	0.4
77.03925	0.4
77.58567	0.4
78.95290	0.6
79.05490	5.7
80.64979	0.4
81.03424	2.2
81.07059	8.7
83.04965	1.0
85.02917	2.6
85.06541	0.4
91.05492	8.4
93.07048	10.1
95.04987	2.7
95.08609	4.2
97.02895	6.0
97.04832	0.5
97.06534	3.1
99.04457	4.7
103.05452	2.0
105.07036	28.3
107.04946	1.6
107.08603	8.9
109.02886	4.2
109.06523	17.2
109.07648	0.5
109.10149	2.0
111.04465	0.9
111.08107	0.4
114.97405	0.4
115.05456	4.2
116.06216	0.9
117.07018	15.2
119.04939	0.5
119.07728	0.5
119.08575	8.8
119.97915	0.5
121.02859	2.0
121.05673	0.5
121.06519	7.3
121.09309	0.5
121.10156	4.3
123.08073	0.8
123.11741	1.1
125.05975	0.8
126.05519	0.6
127.03899	2.0
128.06213	1.3
129.07025	4.3
130.04146	0.4
130.07790	7.5
131.04948	1.4
131.08575	12.7
133.06503	0.7
133.10117	2.8
135.04414	0.5
135.08052	2.7
135.11722	2.7
137.05954	1.3
139.03932	0.6
141.06960	0.6
142.07787	0.5
143.04922	1.0
143.08574	5.7
144.05717	1.3
144.09344	5.5
145.06487	7.7
145.10129	100.0
146.10667	0.7
147.08116	1.8
147.11731	3.5
149.02351	12.5
149.05991	2.5
149.09619	2.1
149.13278	3.3
151.03851	0.6
154.07793	1.2
155.06042	1.3
157.10173	1.2
158.07280	0.6
158.96278	0.7
159.08107	2.8
159.11697	37.5
160.05185	2.9
161.05994	0.7
161.09601	1.6
161.13246	1.1
163.03812	0.6
163.07562	3.9
163.11182	4.1
163.14810	0.6
163.96832	1.1
169.10112	3.2
172.05161	0.8
172.08833	1.1
173.06015	3.5
173.09633	0.6
175.07558	6.2
175.14809	0.7
177.09099	1.5
177.12762	6.0
177.16322	0.8
180.86935	0.4
181.97893	0.7
187.07588	3.9
187.11182	14.7
187.14775	2.7
188.07066	0.5
190.06316	0.9
190.09964	0.8
205.04915	1.5
205.08829	5.1
205.12244	51.5
205.15749	6.5
205.19511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02404	0.5
51.88663	0.3
52.03184	0.4
53.03949	1.4
55.01870	0.9
55.05520	2.0
57.03434	0.6
57.07074	2.1
60.04537	0.6
65.03928	0.9
67.05505	3.9
69.03430	5.1
69.07069	2.3
69.74610	2.4
71.05003	3.8
78.95250	0.5
79.05502	6.8
81.03410	2.7
81.07062	9.0
83.04974	0.9
85.02907	4.2
91.05489	10.9
93.07049	9.6
95.04961	2.6
95.08615	4.3
97.02896	6.4
97.06551	3.5
99.04460	5.2
100.11973	0.4
102.04723	0.7
103.05457	3.7
105.07037	26.4
106.07401	0.5
107.04964	1.5
107.07880	0.7
107.08597	10.5
109.02880	3.3
109.06523	22.1
109.10162	1.6
111.04459	0.9
113.05988	0.6
115.05457	14.3
116.06232	0.7
117.07021	24.7
119.08591	9.5
119.97877	1.0
121.02884	1.7
121.06510	8.2
121.10137	4.8
123.08102	0.9
123.11710	1.7
125.06023	0.8
127.03923	1.5
127.05572	0.4
128.06236	1.5
129.07004	4.2
130.04176	0.8
130.07797	7.2
131.04938	1.3
131.07608	0.6
131.08583	11.9
133.06528	0.7
133.10168	2.4
135.04416	0.8
135.08073	2.7
135.11705	3.1
137.05975	1.9
140.95168	0.5
141.06995	1.1
142.07756	0.5
143.04915	0.9
143.08560	5.7
143.41029	0.4
144.05695	1.4
144.09332	4.5
145.06491	23.9
145.10130	100.0
146.10596	0.8
147.04416	0.6
147.08041	2.0
147.11691	2.7
149.02348	12.4
149.03510	0.7
149.05988	3.9
149.09662	2.1
149.13303	3.1
154.07790	1.1
155.04819	0.7
155.06029	6.2
157.10152	1.4
158.07281	0.6
159.04433	0.8
159.08147	2.5
159.11699	38.1
160.05234	3.1
161.05980	1.5
161.09613	1.7
161.13304	1.7
163.03932	0.7
163.07550	3.8
163.11192	5.3
163.14799	0.8
163.96898	1.1
169.10127	4.1
172.05174	0.6
172.08815	0.8
173.04446	0.7
173.05986	13.6
173.09613	1.1
175.03870	0.8
175.07552	7.1
177.05525	0.7
177.09126	1.9
177.12761	6.5
177.16327	0.6
181.97873	1.1
187.07579	3.3
187.11205	14.8
187.14764	2.3
190.06259	3.4
205.04947	1.7
205.08659	10.1
205.12256	50.5
205.15654	5.5
205.19470	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05510	11.6
57.03425	1.0
57.07068	2.3
58.66024	0.7
59.05000	0.8
59.99060	0.6
62.17119	0.6
65.03942	1.1
67.05508	45.0
69.03423	1.4
69.07064	1.9
69.45972	1.6
69.46378	3.0
69.50020	0.6
71.04999	1.9
71.08612	0.6
73.06558	0.8
79.05492	4.5
81.03430	1.5
81.07058	100.0
83.08616	3.2
85.02919	2.1
85.06547	2.3
91.05489	2.6
93.07025	1.1
95.08609	3.8
97.02901	4.2
97.10184	3.0
103.05487	2.2
104.29318	0.6
105.07017	3.4
107.08598	1.4
109.02885	1.4
109.43913	0.6
115.05451	11.0
116.06307	0.8
117.07017	11.5
118.24584	0.6
119.04932	1.0
119.08601	1.5
119.97887	0.7
121.02848	1.4
121.06513	0.8
121.10214	0.9
123.11707	61.7
124.89023	0.6
127.03916	0.8
129.07025	1.7
131.04941	1.8
131.08617	1.8
131.98843	0.6
132.05760	1.2
133.10150	0.9
135.08073	0.9
137.05975	1.1
141.12744	20.3
143.04929	5.1
144.05725	4.4
144.09366	1.5
145.06503	12.1
145.10143	2.4
147.08064	1.7
149.02336	8.3
155.06094	1.9
159.08089	1.1
159.11740	2.8
159.13785	3.5
160.05197	15.7
161.05977	1.1
162.06836	0.8
163.07556	1.0
163.11224	1.9
172.05219	2.8
173.06020	4.7
175.07558	33.7
177.09120	3.3
177.12711	1.0
187.07545	17.2
187.11217	2.2
190.06296	1.2
205.04826	1.2
205.08522	4.6
205.10371	1.1
205.12242	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	205.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19925	1.3
53.03942	2.3
55.01865	1.8
55.05511	11.0
57.03429	2.9
57.07078	12.5
58.06596	2.0
59.04997	2.8
60.04499	2.2
60.17635	1.6
65.03935	3.9
67.05504	7.6
69.03422	5.7
69.06729	2.3
69.07076	31.5
69.17456	2.4
69.17863	11.9
71.04917	1.4
71.08640	2.1
71.91450	1.4
78.95279	1.8
79.05503	13.1
81.03411	5.5
81.07063	17.2
83.04975	4.8
83.08624	13.3
85.02901	7.7
87.53217	1.8
91.05488	16.4
93.07053	31.4
95.04974	1.4
95.08611	36.4
97.02895	24.2
97.10139	1.5
98.03206	2.1
99.04447	6.5
103.05450	2.7
104.81384	1.6
105.07038	21.3
107.04922	2.3
107.08604	90.1
109.02895	14.2
109.10168	16.3
115.05467	5.8
117.07017	18.0
119.08588	55.3
121.02863	6.6
121.06475	7.3
121.10150	66.6
123.08044	3.4
123.11698	4.1
125.79382	1.4
126.05472	1.5
127.03927	4.1
129.07005	2.4
130.07727	4.0
131.08586	16.8
131.97427	1.5
133.10136	32.7
135.08018	3.3
135.11708	23.7
137.05962	3.6
139.03918	2.7
143.04924	2.2
143.08591	7.2
144.05768	2.5
144.09409	3.3
145.06459	2.6
145.10130	58.8
147.11688	11.9
148.08784	1.9
149.02357	66.3
149.09650	7.8
149.13263	11.3
157.10147	4.8
158.10948	6.4
159.08072	1.8
159.11681	16.7
160.05182	4.1
160.07607	1.8
161.09486	1.5
161.13297	8.9
163.11192	80.4
163.14815	8.8
163.96814	1.8
172.12482	6.1
173.06007	2.3
174.14043	2.8
175.07520	13.0
175.14830	68.6
177.05516	1.9
177.12762	2.6
177.16399	48.3
181.97906	2.4
182.51422	1.4
187.07571	6.9
187.14836	51.1
189.11044	1.5
190.06265	2.6
205.04799	1.6
205.06883	1.9
205.08562	9.5
205.12192	4.9
205.14253	5.6
205.15894	100.0
205.19308	10.1
228.78491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03937	3.0
55.01873	1.5
55.05512	8.9
57.03422	1.7
57.07077	9.0
60.04515	2.0
65.03914	2.8
67.05502	12.0
68.12231	1.2
69.03411	4.7
69.07066	14.0
69.39062	5.3
69.39483	4.3
71.05007	2.3
72.93820	1.4
73.17487	1.3
78.95267	1.7
79.05486	7.8
81.03395	5.5
81.03819	1.4
81.07059	68.6
83.04989	25.4
83.08609	4.8
84.04472	1.5
85.02891	5.2
85.04843	1.7
91.05485	15.1
93.07052	17.5
95.04955	2.3
95.08610	39.7
97.02896	17.5
98.20715	2.3
99.04451	2.7
103.05480	2.4
105.07035	59.2
107.08601	29.1
109.02895	8.5
109.06522	2.9
109.10163	8.3
110.88232	1.4
113.96426	1.4
115.05453	6.6
117.07024	16.3
119.08587	48.3
119.97869	3.4
121.02838	4.3
121.03954	1.4
121.06511	3.0
121.09336	2.2
121.10149	30.6
123.08096	2.2
123.11707	64.7
127.03912	4.1
129.07005	4.1
130.07809	4.4
131.08578	35.0
132.09317	1.9
133.10133	40.0
134.82286	1.3
135.08025	4.6
135.11678	6.8
137.05960	3.9
143.04901	3.3
143.08574	5.8
144.05733	1.6
144.09373	2.3
145.06487	5.9
145.10129	72.4
147.11699	22.4
149.02354	36.2
149.09581	1.3
149.13274	4.6
157.10132	2.3
158.10867	5.2
159.11713	12.7
160.05223	9.2
160.12494	1.5
161.05884	2.0
161.13240	5.5
163.11172	10.1
163.14827	4.4
163.96887	3.4
166.72095	1.4
172.05092	1.8
172.12457	2.4
173.06021	2.9
173.13266	26.6
175.07562	20.8
175.14825	71.8
177.09093	2.4
177.16408	25.9
181.97874	4.5
187.07578	10.7
187.11203	1.9
187.14824	51.0
190.06253	3.7
205.04993	4.0
205.08606	12.8
205.12228	6.3
205.15880	100.0
205.19153	2.4
206.16228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Mayurone
Peak:m/z	Relative Intensity
53.03944	2.8
55.01870	1.8
55.05516	17.5
57.07075	9.3
59.04985	1.2
59.39307	1.3
64.60252	1.0
65.03930	2.0
66.06914	1.0
67.05506	14.2
69.03416	2.1
69.07073	37.5
69.68519	1.0
70.87166	3.2
71.04997	1.3
71.08619	2.4
79.05500	17.8
81.03419	3.0
81.07063	30.7
83.04969	4.0
83.08627	14.9
85.02895	4.0
85.06577	1.0
91.05485	15.7
93.07052	47.9
95.08614	54.9
97.02887	8.2
97.10185	7.2
97.45221	1.0
99.04452	2.2
103.05463	1.3
105.07037	22.2
107.08601	90.0
109.02895	5.1
109.06532	2.7
109.10161	30.2
113.96408	1.3
115.05456	2.6
117.07034	13.5
119.08590	40.1
121.02836	2.6
121.06512	4.0
121.10150	94.1
123.08050	2.1
123.11729	10.8
127.03870	2.3
129.07037	2.5
130.07774	3.5
131.04884	1.2
131.08580	17.3
133.10135	34.4
135.08069	4.2
135.11699	37.2
137.09663	1.5
143.08514	7.6
144.09340	1.7
145.06511	3.1
145.10133	54.2
147.07971	1.6
147.11722	6.8
148.08864	1.4
149.02339	24.2
149.09624	5.0
149.13269	31.6
157.10147	4.3
158.10860	5.7
159.08101	1.3
159.11694	17.9
160.05235	2.7
161.13249	7.1
163.11197	67.5
163.14859	10.8
172.12482	2.5
173.13321	1.3
174.14024	1.6
175.07588	7.5
175.14838	68.0
177.12874	1.7
177.16396	48.9
187.07581	2.7
187.14836	47.3
205.08696	4.3
205.15897	100.0
205.19514	33.6
206.16226	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	205.1589
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03943	5.5
53.80191	1.8
55.01856	3.2
55.05511	10.0
57.03446	2.4
57.07085	20.5
58.06578	3.1
60.04517	3.6
61.02934	2.8
63.92924	3.2
65.03938	3.4
65.43329	1.7
67.05516	15.8
69.03438	12.8
69.07077	20.8
69.61960	12.1
71.04996	3.4
72.93155	1.8
73.02924	1.8
78.95284	6.0
79.05497	10.9
81.03418	10.2
81.06596	3.9
81.07063	71.1
83.04989	23.2
83.08611	5.4
84.04499	3.0
85.02918	14.3
85.04835	2.4
91.05488	20.2
93.07050	31.4
95.04956	2.8
95.08617	37.3
97.02293	3.6
97.02899	44.4
97.04800	2.0
97.10181	2.4
99.04436	6.8
103.05516	3.3
105.07038	59.0
107.04939	4.6
107.08609	24.3
109.02883	22.9
109.06531	2.9
109.10160	9.7
113.96426	3.9
115.05437	12.9
116.97944	2.0
117.07027	21.5
119.08595	51.6
119.97900	5.3
121.02869	11.2
121.03840	2.4
121.06503	6.5
121.10143	30.7
123.08125	3.3
123.10840	4.1
123.11720	64.3
127.03937	10.5
128.06169	2.4
129.07011	3.9
130.07788	4.3
131.04910	5.5
131.08585	38.4
131.97397	4.0
133.06422	2.1
133.10155	39.2
135.08041	7.3
135.11720	10.2
137.05977	5.9
140.23982	2.0
140.95227	2.8
141.61775	2.1
143.04919	5.9
143.08537	4.2
144.05698	4.1
144.09366	3.5
145.06468	12.4
145.10144	68.9
147.11707	19.6
149.02357	97.8
149.09581	3.4
149.13251	7.2
157.10143	3.2
158.10927	7.3
158.96326	3.9
159.08029	2.5
159.11707	18.6
160.05225	15.8
161.13234	4.6
163.07542	2.4
163.11237	8.8
163.14883	2.9
163.96875	6.1
172.05234	2.5
172.12498	2.2
173.06023	3.4
173.13298	27.9
174.06796	2.6
175.07576	28.6
175.14850	64.7
177.09160	4.5
177.12724	3.6
177.16408	17.8
181.97906	9.1
187.07529	17.5
187.11209	3.0
187.14842	36.5
189.53230	2.1
190.06314	5.4
204.99477	2.9
205.04968	6.8
205.08617	21.1
205.10570	2.7
205.12222	8.5
205.14288	5.7
205.15903	100.0
205.19504	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	206.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99193	1.2
56.96571	7.5
64.02745	1.2
70.11288	4.7
71.31536	1.1
77.99169	1.1
82.99836	3.5
98.20858	1.4
98.97603	10.3
100.02451	1.4
101.00214	1.4
101.00889	28.1
103.00651	2.0
105.11678	1.2
116.98615	4.1
119.01923	40.2
119.63465	1.4
120.01952	1.3
121.01656	3.2
122.03995	1.2
124.02438	12.2
126.23106	1.2
134.99634	2.7
137.02922	5.3
142.03506	100.0
146.91837	2.6
146.99767	1.3
155.00130	1.5
160.04559	24.0
164.98616	2.8
165.05103	3.4
166.23555	1.4
174.97722	1.3
182.99692	11.6
184.04507	1.6
193.98669	1.3
201.00706	13.1
201.02422	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	206.1177
Annotation	Bellendine
Peak:m/z	Relative Intensity
52.39639	0.2
53.03946	0.2
55.05513	0.2
56.96556	0.2
57.07087	0.2
60.04538	0.2
62.64285	0.1
67.05490	0.6
69.03433	0.3
70.03794	0.1
70.06550	0.2
71.51394	0.2
79.05489	0.5
81.03427	1.3
81.07042	0.2
82.03774	0.3
82.30206	0.1
84.08145	0.3
85.02909	0.3
88.02232	0.4
91.05503	0.9
93.07063	0.4
95.04981	0.2
95.08598	0.5
98.03221	0.2
103.05450	0.2
105.07047	0.8
106.07382	0.2
107.08589	0.5
111.04485	0.2
113.09657	0.2
116.05283	0.3
118.06612	0.3
118.07330	0.2
119.04955	0.5
119.08582	0.4
120.08092	0.3
121.06522	0.4
121.10184	0.2
122.06833	0.3
131.08575	0.3
131.43634	0.2
132.08040	0.3
132.08931	0.4
133.10036	0.2
135.04352	0.2
135.11581	0.2
137.06017	0.2
145.08821	0.2
146.06830	0.5
146.09654	0.6
147.04402	0.6
147.06918	0.3
147.08064	0.3
148.05173	0.4
148.11252	0.3
149.02336	0.6
149.09543	0.2
150.02689	1.1
150.06377	0.2
160.08469	0.4
160.11172	0.2
161.05995	0.3
161.11998	3.6
161.13295	0.3
162.12759	0.3
163.03889	0.3
165.12788	0.4
176.07845	0.2
178.04913	0.2
178.08589	0.4
179.07002	0.3
188.07965	0.5
188.10521	0.9
189.12770	0.2
190.06931	0.3
190.08647	5.5
191.09433	3.6
191.14278	0.8
193.10954	0.4
204.10173	0.4
206.11774	100.0
207.06564	0.7
207.12091	1.0
207.13872	0.5
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
55.05513	11.2
55.27344	0.9
56.03946	0.9
57.03423	3.9
57.07061	1.1
65.03924	1.1
67.05513	7.0
67.27129	0.9
69.03431	7.7
69.07073	4.9
70.07355	2.8
71.05000	8.6
79.05499	6.9
81.03448	1.6
81.07063	8.6
83.04971	3.0
85.06514	0.9
91.05487	20.5
93.07048	12.8
94.91822	1.0
95.04971	6.6
95.08605	10.3
97.06551	4.4
98.21474	0.9
99.02536	0.9
99.04456	5.1
103.05483	1.5
105.07035	41.1
107.04993	1.5
107.08598	28.9
109.06528	5.8
109.10159	11.2
115.05496	1.3
116.06203	0.8
116.28059	0.8
117.07020	3.8
119.04938	6.4
119.08591	72.0
121.06509	12.4
121.10157	6.9
121.63586	0.8
123.04389	1.0
123.07213	1.3
123.08079	19.2
124.61429	1.0
128.06224	2.1
129.06996	2.9
130.07793	1.1
131.08595	11.1
132.09293	1.1
133.06519	5.2
133.10139	20.1
135.08060	8.7
135.11667	2.2
137.09639	11.6
139.13193	0.8
141.07028	2.1
141.09126	0.9
143.08585	7.1
144.09335	3.4
145.06509	2.1
145.10185	4.8
147.04387	4.3
147.08052	13.8
147.11693	67.2
147.84138	1.0
149.09645	6.5
151.07506	1.1
156.09338	13.1
159.08057	2.3
159.11710	41.2
160.08847	3.5
161.09608	6.9
161.13268	39.8
165.12737	2.3
171.11668	8.6
174.10376	3.1
175.03915	5.9
177.12762	12.8
181.58253	0.9
189.09152	1.2
189.12744	28.4
189.14453	1.4
192.04205	1.6
207.06444	5.1
207.13812	100.0
208.14192	1.7
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
53.03941	1.8
55.05518	4.7
57.07062	3.3
59.05013	1.4
59.07888	1.1
67.05183	1.5
67.05511	23.8
69.03426	3.0
69.07073	2.1
69.68359	1.9
69.68769	3.3
71.04982	2.2
79.05490	4.1
81.07052	4.7
83.04961	2.1
83.08663	0.9
85.06554	9.0
91.05479	7.3
93.07056	10.6
95.04971	3.3
95.08614	100.0
98.21525	1.1
105.07038	15.2
107.04926	0.9
107.08602	16.5
109.06522	3.6
109.10159	3.0
111.08060	1.8
113.06006	6.3
119.04888	1.7
119.08595	22.1
120.09361	1.6
121.06521	2.9
121.10165	14.7
123.08075	49.4
123.11683	4.8
131.08551	3.9
133.06482	1.8
133.10141	5.4
135.11668	5.8
137.09616	4.7
137.13243	1.7
139.07607	1.5
147.08093	5.0
147.11684	12.4
149.09627	57.4
151.07539	2.6
151.14841	4.6
156.09386	2.2
159.08070	1.7
160.08696	1.0
161.09642	2.4
161.13269	19.4
163.11185	2.5
165.09171	2.3
165.12769	10.9
171.11693	2.9
174.10384	3.4
179.14278	2.3
189.12772	23.5
207.13811	33.6
219.21620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05500	6.8
57.03435	1.9
57.07065	1.7
59.04984	3.8
59.52065	1.6
62.18078	1.5
65.03922	1.7
67.05507	7.7
69.03423	5.1
69.07081	9.2
70.48785	2.8
70.49123	3.7
71.04995	7.7
79.05498	10.8
81.07053	8.0
81.25666	1.9
83.04974	6.2
85.06538	3.5
87.71837	1.5
91.05486	21.8
92.64440	1.6
93.05085	1.8
93.07043	11.7
95.04978	15.0
95.08612	28.1
97.06538	11.6
105.07033	38.3
107.04993	1.9
107.08596	27.9
109.06529	80.2
109.10147	3.8
111.08057	2.8
115.81949	1.4
117.07043	8.0
119.04916	3.0
119.08587	45.8
121.06496	6.9
121.10172	8.9
123.08101	16.9
123.11710	3.4
128.06201	3.8
129.06999	5.3
130.07849	2.3
131.08578	18.7
133.06483	3.4
133.10150	10.7
135.08069	23.5
137.09628	28.2
139.07535	10.7
141.06964	2.1
143.08554	10.4
144.09377	3.2
145.10143	16.3
147.04448	2.9
147.08060	18.0
147.11702	36.8
149.09644	19.0
151.07536	3.6
156.09346	13.9
159.08066	3.3
159.11713	26.7
160.08879	3.8
161.09663	9.3
161.13269	14.9
163.11198	2.2
165.09111	14.8
165.12773	4.8
171.11697	20.1
174.10439	2.5
175.03923	2.1
176.11996	2.5
177.12779	19.2
184.43752	1.9
189.12762	53.2
207.06516	4.3
207.13820	100.0
208.14034	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.78554	1.0
53.03955	8.6
54.56255	1.0
55.01882	1.6
55.05517	8.6
65.03935	1.3
67.05511	29.1
69.07070	5.9
70.90718	2.3
71.05004	2.2
71.21142	0.9
77.03941	1.7
78.33465	1.1
79.05497	52.5
81.03411	1.7
81.06593	1.8
81.07063	26.1
83.04977	4.2
83.08611	1.9
85.06538	2.4
91.04910	2.1
91.05484	46.8
93.07050	100.0
95.04973	11.0
95.08607	9.1
97.06544	2.9
105.04523	2.8
105.07043	24.0
107.08605	11.8
109.06520	4.0
117.07004	4.6
119.08585	14.0
121.06522	1.4
121.10142	2.2
123.08072	4.2
127.07556	1.4
129.07011	9.2
131.08603	1.6
133.06459	1.2
133.10135	5.2
136.20488	1.1
143.08580	5.0
145.10141	7.3
147.08041	1.7
147.11696	47.2
161.09654	4.7
161.13243	9.4
171.11707	26.9
171.13167	1.5
189.12750	14.0
207.13812	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1746
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03939	1.7
55.05517	6.5
57.03425	3.3
57.07055	3.3
59.05013	1.2
67.05510	8.6
67.62933	1.2
69.07073	9.9
70.03182	2.8
71.04999	2.9
79.05505	7.9
81.07060	17.5
83.04990	2.3
83.08605	3.5
85.06540	4.9
90.78233	1.2
91.05480	11.7
93.07050	29.5
95.04948	2.3
95.08617	29.3
97.06477	1.2
105.07042	25.6
107.08605	57.8
109.06522	3.1
109.10158	14.0
111.08074	2.8
115.96436	3.0
118.51196	1.0
119.04896	2.3
119.08592	40.4
121.10147	13.6
123.08076	8.5
123.11716	8.7
125.09638	1.2
131.08569	2.9
133.10141	49.6
135.11703	100.0
137.09625	8.8
137.13249	2.2
145.10152	3.7
147.11705	36.2
149.09618	2.4
149.13272	10.2
151.07545	1.3
151.11194	15.9
161.13303	8.4
163.14825	16.0
165.12798	3.2
165.96631	1.1
171.11642	1.7
179.36397	1.1
189.09081	1.7
189.16399	95.8
190.05106	1.2
190.16736	1.6
207.06575	4.3
207.12025	1.6
207.13869	6.8
207.17465	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	207.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.05508	6.5
57.03425	3.5
57.07069	2.9
59.05001	0.9
62.65450	0.8
66.97435	0.9
67.05511	8.8
69.03436	1.6
69.07076	9.8
70.55046	2.4
71.04989	1.3
73.64558	0.8
79.05493	7.8
81.07056	14.9
83.04977	2.3
83.08608	3.0
84.53631	0.9
85.02907	1.0
85.06561	5.3
91.05488	11.5
93.06490	1.6
93.07052	26.5
93.07645	1.6
95.04981	1.4
95.08613	31.4
97.06522	2.1
99.08109	1.5
104.27406	0.9
105.07037	26.8
107.08604	50.8
109.06518	3.4
109.10159	12.2
111.08036	1.8
115.96464	1.3
116.85217	0.8
116.86069	0.7
117.07049	0.8
119.04932	1.7
119.08591	37.6
121.10136	8.3
123.08073	7.4
123.11716	9.6
125.09576	0.9
127.07575	1.3
129.06966	0.8
131.08595	2.5
133.09122	2.0
133.10135	40.2
135.11700	87.5
137.09590	7.2
137.13237	1.6
145.10091	3.1
146.10942	1.8
147.04276	1.0
147.11690	29.4
149.09612	1.3
149.13281	8.9
151.07597	1.2
151.11195	12.5
160.12488	1.8
161.13225	6.6
163.14824	12.6
165.12808	2.1
165.95384	0.9
175.03957	1.0
189.12798	2.7
189.16394	100.0
190.05067	1.0
190.16632	1.4
207.06439	2.1
207.11800	1.3
207.13831	2.7
207.17451	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
55.05513	8.5
56.85835	1.3
57.03438	2.8
57.07080	4.1
65.08795	1.6
65.17493	1.3
67.05505	11.0
69.03437	1.8
69.07079	9.6
69.45712	9.7
69.46116	3.0
74.12363	1.4
79.05491	8.0
81.07066	17.3
83.05005	2.8
83.08614	2.3
85.06550	4.8
91.05486	15.9
93.07056	27.3
95.04974	2.0
95.08618	34.1
95.87490	1.3
97.06512	2.3
97.10201	1.4
105.06392	2.8
105.07038	26.2
107.08604	53.3
107.85088	1.3
109.06528	5.2
109.10187	13.5
111.08080	3.2
119.04953	1.5
119.08594	42.1
121.10160	13.2
123.08110	9.1
123.11733	8.2
131.08597	3.9
133.10149	48.1
135.11703	96.0
137.09602	7.4
137.13329	1.7
145.10207	2.3
147.08029	1.7
147.11700	36.5
149.09642	3.5
149.13277	9.1
151.11188	12.0
161.13220	7.6
163.14856	14.9
165.12843	2.1
172.53998	1.4
174.14047	2.1
175.03949	1.7
189.12775	3.3
189.16403	100.0
190.16718	2.5
207.06537	4.3
207.11911	1.9
207.13895	4.6
207.17482	63.1
207.19363	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	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03921	3.8
55.05503	10.0
57.03421	3.3
57.07079	4.4
66.75340	2.2
67.05509	17.0
69.03430	5.0
69.07072	12.2
69.88949	2.3
70.84696	4.4
71.05002	3.8
79.05492	13.3
81.07072	20.3
83.04978	4.1
83.08607	4.1
85.06510	7.2
91.05473	20.6
93.06486	2.9
93.07058	39.6
93.87545	2.1
95.04980	6.3
95.08618	45.6
105.07039	30.2
107.08604	62.9
109.06515	8.0
109.10171	18.8
111.08077	3.7
115.96446	5.3
119.04925	5.0
119.08591	49.0
121.10157	16.0
123.08086	14.7
123.11698	8.4
129.07025	4.6
131.08553	5.0
133.10141	52.3
133.97446	2.4
135.11711	94.5
137.09599	11.3
145.10118	4.9
147.04372	3.2
147.08102	2.9
147.11699	45.8
149.09607	6.9
149.13263	10.7
151.07570	5.4
151.11198	13.9
161.13264	12.3
163.14847	18.4
165.12820	3.7
171.11717	4.6
189.12721	8.2
189.16397	100.0
207.06564	6.1
207.09998	3.4
207.13933	12.2
207.17462	75.6
207.19405	5.2
208.09697	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	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03946	1.4
55.05504	5.2
57.03428	2.6
57.07067	2.4
67.05508	9.6
69.03432	2.1
69.07073	8.6
69.23697	11.3
71.04969	1.6
79.05501	7.8
81.07061	13.7
83.04982	1.9
83.08612	3.6
85.02907	1.7
85.06540	5.7
91.05485	9.8
93.06491	1.9
93.07050	26.6
95.04956	2.4
95.08612	27.8
97.06511	1.9
100.62051	1.3
105.07036	23.8
107.08602	52.9
109.06498	5.5
109.10172	11.8
111.08062	3.7
115.96425	1.5
119.08586	41.2
121.10165	9.6
123.08103	6.7
123.11688	7.8
124.70100	1.1
129.07030	1.9
132.99323	1.2
133.09129	2.1
133.10146	46.6
135.11702	96.4
137.09616	8.4
137.13280	2.2
145.10123	3.8
147.11687	32.3
149.09544	1.7
149.13266	10.3
151.11191	12.9
161.13271	9.3
163.14845	17.3
165.12761	3.3
175.18817	1.3
189.12784	3.0
189.16391	100.0
192.09314	2.1
199.55969	1.2
207.09744	1.9
207.11812	2.5
207.14053	7.0
207.17462	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.71319	1.2
54.99896	1.4
55.05500	4.0
55.98479	1.3
57.03436	2.9
57.07074	3.3
60.25040	1.3
67.05506	6.8
69.03413	1.4
69.07068	5.1
69.98239	4.2
69.98654	2.5
71.05004	2.0
76.44697	1.3
76.53048	1.3
79.05510	7.6
79.17617	1.3
81.07064	13.5
83.04962	2.3
83.08630	2.3
85.06534	4.4
91.05487	10.3
93.07047	21.4
95.04991	1.6
95.08609	24.0
105.07040	18.4
107.08599	51.6
109.06512	4.0
109.10167	14.1
117.07077	1.7
119.08591	34.3
121.10154	10.1
123.08088	3.8
123.11707	8.4
131.08595	2.0
133.09135	2.5
133.10141	46.6
135.11700	100.0
137.09642	7.2
145.10109	3.1
147.11700	30.8
149.13281	8.4
151.11206	13.6
161.13261	5.0
163.14848	15.1
164.49367	1.3
165.12831	1.6
189.16397	88.9
207.06587	1.7
207.13901	2.3
207.17465	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03944	1.1
55.05513	8.7
56.96562	2.3
57.07068	1.2
57.86829	1.0
59.04996	1.1
67.05515	13.7
69.07072	13.0
71.04995	2.0
71.52289	1.2
79.05499	10.9
81.07060	29.0
83.08614	4.2
91.05480	17.2
93.07049	30.1
95.08614	53.1
97.06551	1.2
97.10164	3.8
105.07037	39.4
107.08601	32.3
109.06532	1.3
109.10171	17.0
111.08077	2.4
115.96447	1.4
117.06998	2.3
119.08590	49.2
121.09348	1.3
121.10153	16.1
123.08069	4.5
123.11727	9.1
131.08591	2.7
133.10143	38.4
133.97501	1.2
135.11719	5.5
137.09613	2.7
137.13263	1.7
145.10095	4.5
146.10895	1.6
147.04445	1.2
147.11703	33.6
148.99779	0.9
149.09624	2.2
149.13268	51.8
151.07529	1.3
151.11194	2.1
159.11734	1.4
160.12491	1.2
161.13261	8.9
163.14879	4.0
165.12767	1.3
165.96588	1.0
166.48488	1.0
177.16429	1.3
180.83737	0.9
183.97667	1.2
184.09322	2.0
189.16393	100.0
193.03928	1.2
207.06519	2.1
207.09926	1.3
207.11971	1.7
207.13933	5.2
207.17456	52.7
208.17769	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01868	0.6
56.96568	3.8
57.03426	0.6
61.02918	0.7
69.03416	1.0
70.34989	0.8
71.01344	0.2
71.04977	0.3
73.02929	1.6
74.98736	0.3
76.93587	0.2
78.25942	0.2
79.05489	1.0
81.03430	0.5
81.07072	1.3
84.96050	0.5
85.02898	1.2
88.66387	0.3
91.05505	1.2
93.07047	0.3
95.04971	0.4
95.08586	0.6
97.02861	0.7
98.03177	0.3
98.97590	6.0
101.00858	0.5
102.96956	0.3
103.05458	0.4
105.07032	0.3
109.06535	1.3
110.97585	1.8
113.00855	0.4
115.02348	0.4
116.98616	1.1
117.03847	0.3
118.05722	0.3
118.06548	5.2
119.01848	0.8
119.04988	0.4
119.07331	4.7
121.06535	0.7
124.02840	0.3
128.02303	0.6
128.98602	1.0
131.01871	0.5
133.03432	0.3
137.05974	5.2
138.06306	0.3
138.97186	0.2
139.02431	0.3
143.00169	0.3
144.98085	0.4
145.03429	0.5
146.06001	0.5
146.99683	0.6
150.02585	0.3
157.03409	0.9
158.99736	1.2
159.03117	0.6
162.03197	0.3
162.09181	1.0
163.09964	0.7
164.07079	31.8
166.03932	0.6
167.01845	0.4
170.99643	0.6
177.00743	0.5
177.07866	0.4
185.02953	2.1
186.12100	0.2
187.04453	0.4
188.13341	0.3
189.00734	0.7
190.08606	0.6
196.04901	0.8
203.03891	0.3
208.09695	100.0
209.09959	0.7
219.01770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0969
Annotation	Phenylpropionylglycine
Peak:m/z	Relative Intensity
56.96575	0.2
58.85436	0.2
69.03423	0.3
69.88021	0.7
69.88428	0.3
70.88200	0.2
73.02920	0.3
91.05489	0.3
97.02888	0.3
98.97578	1.3
109.06525	0.2
110.97596	0.3
118.06538	5.8
119.07325	4.7
137.06023	0.4
137.73000	0.2
146.06000	0.4
162.09158	0.8
163.09929	0.7
164.07066	32.1
177.07948	0.2
185.03049	0.4
187.50531	0.2
190.08612	0.4
208.09682	100.0
209.10059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03955	7.8
54.82212	1.1
55.01877	14.6
55.05241	1.4
55.05514	29.4
57.03430	1.8
57.07061	1.4
59.04998	3.2
59.93770	1.1
65.03942	11.0
66.04736	1.2
67.05510	10.4
69.03429	4.2
69.07074	5.9
69.61124	7.4
71.04983	4.6
75.04477	9.1
77.03920	3.2
78.04707	11.7
79.05488	11.3
81.03418	2.2
81.07052	10.2
83.01342	1.5
83.04988	21.3
83.08626	13.8
85.02917	9.1
85.06540	1.7
85.41174	1.7
89.03928	5.3
89.06049	1.9
91.05492	52.2
93.03408	29.0
93.07054	25.5
95.04375	2.3
95.04980	42.7
95.08604	6.0
96.05775	1.5
97.06544	15.6
97.10165	2.7
99.04456	5.7
99.08098	3.4
103.05482	21.5
105.03399	3.4
105.04527	2.5
105.07057	11.2
106.04182	84.0
107.04964	6.3
107.08593	17.8
108.05727	2.6
109.06538	14.4
109.10165	9.6
111.04446	2.1
111.08089	4.6
117.03395	6.9
117.07034	2.0
118.04185	3.0
119.04954	4.2
119.08633	2.6
121.02901	2.3
121.06514	82.2
121.10152	13.0
122.03677	1.5
122.07283	2.4
123.04443	3.8
123.08075	5.8
123.11713	4.3
124.05215	2.4
125.06006	20.0
125.09641	6.2
131.04927	5.9
131.08566	5.1
133.02843	2.7
133.10127	13.9
134.03659	14.7
134.20277	1.2
135.04416	5.7
135.08072	18.1
135.11716	3.3
137.05995	16.0
137.09639	2.8
138.06766	3.9
139.07532	8.9
139.11183	2.1
145.02866	6.8
145.10149	6.8
147.04453	2.1
147.11717	2.9
148.05223	8.9
149.06000	100.0
149.09653	3.7
149.13248	6.5
151.03862	1.7
151.07585	4.2
151.11197	19.9
153.05469	6.9
153.09111	32.0
163.03912	3.0
163.07545	5.9
163.11180	8.7
163.14835	2.0
165.12791	3.0
166.06282	2.5
167.07104	2.3
167.14342	19.5
173.13289	7.5
177.05495	40.5
180.07704	1.3
181.05022	3.0
181.07057	2.2
181.08617	25.0
190.02132	1.2
191.07048	7.5
191.10718	3.4
191.14349	15.0
209.04419	2.2
209.08110	20.5
209.09933	1.9
209.11749	6.0
209.15399	27.2
209.37236	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03932	2.9
54.88524	1.1
55.01880	8.4
55.05511	20.3
57.03444	4.5
57.07080	7.8
59.04978	1.4
65.03923	3.2
67.05181	1.3
67.05509	15.5
69.03432	48.1
69.07068	23.0
71.04996	24.7
71.51354	1.0
71.51730	1.3
78.04691	1.3
79.05496	42.6
81.03403	2.1
81.07056	24.1
83.04984	35.4
83.08624	14.4
85.02903	1.9
85.06545	9.1
87.04459	1.5
91.05483	29.9
93.03421	4.7
93.07047	48.8
95.04385	1.8
95.04974	29.6
95.08614	14.7
97.02893	1.0
97.06538	13.7
97.10151	2.6
99.04454	4.0
99.08128	1.7
103.05467	7.6
105.03389	1.1
105.04491	1.7
105.07036	30.0
106.04181	9.8
107.04961	20.1
107.08599	81.6
109.06516	31.3
109.10159	10.8
111.04435	2.7
111.08091	11.0
113.05994	1.3
113.09682	0.9
115.05467	1.8
116.06264	1.8
117.07035	8.5
118.12798	1.3
119.04916	1.6
119.05984	2.0
119.08578	15.2
120.05727	1.1
121.02921	1.4
121.06512	48.7
121.10146	50.9
123.04420	1.7
123.08064	9.7
123.11693	8.9
125.06003	8.0
125.09634	58.4
129.06967	3.8
130.07805	2.9
131.04918	3.8
131.08572	100.0
133.06494	2.5
133.10132	19.2
134.03654	2.2
135.04398	3.6
135.08063	22.2
135.11702	12.2
137.05988	4.2
137.09616	2.4
139.07512	4.4
139.11205	1.7
141.05441	3.8
143.08557	2.0
145.02933	1.0
145.10127	39.4
147.04413	1.0
147.08078	5.0
147.11684	6.9
148.05219	5.4
149.02274	2.5
149.05984	19.5
149.09627	82.1
149.13235	9.9
150.10349	1.3
151.07521	3.4
151.11195	16.6
152.65866	1.1
153.05475	12.4
153.09126	20.2
155.07074	1.2
158.10864	3.4
161.05988	1.0
161.09575	2.1
163.03917	2.2
163.07574	10.2
163.11191	31.0
163.14832	6.4
165.09099	3.5
165.12766	9.0
167.07080	5.1
167.10698	5.6
167.11971	1.1
167.14313	16.2
173.09612	2.6
173.13274	25.4
176.11955	1.4
177.05502	9.7
181.08647	2.2
191.07066	12.8
191.10684	35.4
191.14313	75.9
194.05719	1.3
209.04482	6.1
209.08211	11.9
209.11754	60.1
209.15355	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03931	2.9
55.01870	4.7
55.05276	1.4
55.05515	18.1
57.03428	3.8
57.07068	1.5
59.04985	1.1
61.40935	0.8
65.03938	1.4
67.05175	1.1
67.05507	11.1
69.03410	3.9
69.06731	1.3
69.07072	19.4
70.49251	2.5
70.49635	1.2
71.04997	23.5
75.53056	0.9
76.80861	0.8
77.03903	1.4
79.05497	43.6
81.03356	1.0
81.07054	14.5
83.04984	21.5
83.08627	8.3
85.02894	1.3
85.06525	1.4
91.05489	26.0
93.03382	2.3
93.07048	45.3
95.04379	1.7
95.04974	29.5
95.08624	4.5
95.09096	0.9
97.06531	10.8
97.10154	1.6
98.21389	1.0
99.04449	4.9
101.92648	0.8
102.62969	0.8
103.05473	3.7
105.07036	28.1
106.04175	4.7
107.04955	19.5
107.08598	62.2
109.06524	17.4
109.10135	6.8
111.04441	3.6
111.08068	2.9
115.05505	1.7
116.06219	2.0
117.07023	6.3
119.04965	0.9
119.08580	7.4
121.06513	44.4
121.10149	52.8
123.04432	2.3
123.08076	5.6
123.11707	2.8
125.05232	0.9
125.06004	7.3
125.09606	3.6
127.07497	1.0
129.06985	2.5
130.07759	3.2
131.04861	2.1
131.08572	100.0
133.10135	4.7
134.07207	0.9
134.65657	1.1
135.04437	2.5
135.08054	6.0
135.11690	5.7
137.05952	3.2
139.07559	3.5
139.11154	1.0
141.05467	1.5
143.08519	2.2
145.02776	1.2
145.10129	34.5
147.08063	4.5
147.11661	4.3
149.06000	9.4
149.09625	74.5
149.13269	3.2
150.09976	1.3
151.07558	2.9
151.11197	9.1
153.05490	11.6
153.09084	10.1
163.07518	3.2
163.11186	27.6
163.14844	4.6
165.09070	2.8
167.07092	4.8
167.10648	4.4
167.14311	14.6
173.09630	3.7
173.13266	3.4
177.05502	6.1
181.08563	1.6
191.07005	2.5
191.10678	33.0
191.14337	8.5
209.04477	1.5
209.08138	2.7
209.11732	61.7
209.15327	16.9
210.11925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01870	4.7
55.05276	1.4
55.05515	18.1
57.03428	3.8
57.07068	1.5
59.04985	1.1
61.40935	0.8
65.03938	1.4
67.05175	1.1
67.05507	11.1
69.03410	3.9
69.06731	1.3
69.07072	19.4
70.49251	2.5
70.49635	1.2
71.04997	23.5
75.53056	0.9
76.80861	0.8
77.03903	1.4
79.05497	43.6
81.03356	1.0
81.07054	14.5
83.04984	21.5
83.08627	8.3
85.02894	1.3
85.06525	1.4
91.05489	26.0
93.03382	2.3
93.07048	45.3
95.04379	1.7
95.04974	29.5
95.08624	4.5
95.09096	0.9
97.06531	10.8
97.10154	1.6
98.21389	1.0
99.04449	4.9
101.92648	0.8
102.62969	0.8
103.05473	3.7
105.07036	28.1
106.04175	4.7
107.04955	19.5
107.08598	62.2
109.06524	17.4
109.10135	6.8
111.04441	3.6
111.08068	2.9
115.05505	1.7
116.06219	2.0
117.07023	6.3
119.04965	0.9
119.08580	7.4
121.06513	44.4
121.10149	52.8
123.04432	2.3
123.08076	5.6
123.11707	2.8
125.05232	0.9
125.06004	7.3
125.09606	3.6
127.07497	1.0
129.06985	2.5
130.07759	3.2
131.04861	2.1
131.08572	100.0
133.10135	4.7
134.07207	0.9
134.65657	1.1
135.04437	2.5
135.08054	6.0
135.11690	5.7
137.05952	3.2
139.07559	3.5
139.11154	1.0
141.05467	1.5
143.08519	2.2
145.02776	1.2
145.10129	34.5
147.08063	4.5
147.11661	4.3
149.06000	9.4
149.09625	74.5
149.13269	3.2
150.09976	1.3
151.07558	2.9
151.11197	9.1
153.05490	11.6
153.09084	10.1
163.07518	3.2
163.11186	27.6
163.14844	4.6
165.09070	2.8
167.07092	4.8
167.10648	4.4
167.14311	14.6
173.09630	3.7
173.13266	3.4
177.05502	6.1
181.08563	1.6
191.07005	2.5
191.10678	33.0
191.14337	8.5
209.04477	1.5
209.08138	2.7
209.11732	61.7
209.15327	16.9
210.11925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03954	2.9
55.01854	3.1
55.05512	84.3
57.07088	2.6
59.04992	7.1
59.92138	2.1
64.51889	1.7
65.93049	1.6
66.02087	1.7
67.05507	10.5
67.47692	1.7
67.71135	1.9
69.03412	6.0
69.07066	12.4
69.38769	14.0
71.04984	7.0
76.74541	2.0
79.05486	9.0
81.03419	2.5
81.07057	19.8
82.06567	2.4
83.04983	61.8
83.08154	3.9
83.08620	49.7
85.06544	5.4
91.05476	9.3
93.07047	31.7
95.04968	66.6
95.08603	13.4
97.06554	11.7
97.07064	1.9
97.10175	8.8
98.20728	3.3
99.04464	11.6
100.11246	4.7
103.05457	2.1
103.07568	1.9
105.07067	9.9
106.04139	3.5
107.08601	42.0
109.06514	29.1
109.10160	28.8
111.08082	9.3
119.08567	5.1
121.06509	6.0
121.10148	100.0
123.08083	2.7
123.11689	12.6
125.09642	13.2
131.08563	5.4
133.10132	22.2
134.07338	1.9
135.08034	5.8
135.11653	4.1
145.10109	2.6
147.11768	2.7
149.06010	4.0
149.09631	2.4
149.13277	10.0
151.07576	2.7
151.11185	47.3
153.09131	25.0
163.14830	17.2
167.14323	74.2
173.13271	10.9
174.98985	1.8
177.05484	5.5
191.14330	15.5
207.11046	2.5
209.04498	2.7
209.08008	2.7
209.15309	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.25390	1.7
55.01876	3.5
55.05514	26.7
57.03443	3.1
57.07077	4.3
59.05004	2.3
64.25694	2.0
67.05509	14.1
69.03422	5.7
69.07060	7.3
70.83871	4.5
70.84234	1.7
71.04993	5.5
79.05510	10.3
79.28902	1.7
81.07052	21.7
82.51480	1.6
83.04496	2.9
83.04984	56.9
83.08631	14.7
85.06538	5.2
87.04456	2.2
91.05486	8.2
93.07051	17.3
95.04966	34.8
95.08604	16.1
97.06524	17.0
97.10178	2.4
99.04452	5.5
105.07043	14.5
107.08596	28.3
109.06523	100.0
109.10165	24.9
111.08060	7.3
113.09622	2.6
117.06996	2.2
119.08557	6.8
121.06495	3.8
121.10151	28.6
123.08059	10.0
123.11713	8.2
125.09661	9.0
131.08572	10.5
133.10136	31.2
135.08058	19.4
135.11703	4.2
145.10159	3.8
147.11681	5.2
149.02327	2.0
149.09648	22.3
149.13274	13.7
151.11208	20.4
152.91858	2.0
153.09108	25.3
163.07463	1.6
163.14862	3.5
165.12764	2.8
167.14343	26.1
173.13289	12.8
191.10585	2.1
191.14331	26.4
209.15401	41.2
227.94556	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	4.4
55.01865	5.4
55.05513	96.1
57.03430	4.6
57.07073	3.2
59.04984	2.7
65.03930	2.4
67.05248	1.8
67.05505	18.9
69.03429	10.5
69.07066	10.3
70.89250	4.9
71.04993	14.4
79.05498	23.9
81.03413	2.0
81.06650	2.4
81.07056	23.3
83.04984	100.0
83.08620	56.2
85.06532	8.0
91.05482	23.6
93.07047	35.9
95.04974	67.3
95.08619	19.0
97.06539	19.1
97.10165	10.8
98.20723	2.2
99.04471	12.1
103.05450	3.3
105.07030	24.1
106.04160	10.9
107.04944	12.6
107.07899	3.0
107.08601	56.2
109.06504	25.2
109.09480	2.6
109.10159	34.8
111.04461	4.4
111.08102	17.1
113.05985	2.3
113.09654	3.1
117.06989	5.5
119.04975	2.4
119.08579	10.1
121.06504	22.7
121.09334	3.0
121.10140	33.5
123.08039	8.3
123.11716	16.8
125.05962	6.7
125.09631	18.5
129.06969	4.5
130.07846	1.9
131.08572	55.8
132.05695	3.8
133.10141	27.9
135.08038	12.0
135.11632	6.9
137.09595	4.1
139.07510	3.2
145.06477	2.9
145.10123	26.0
147.04367	6.4
147.08073	3.8
147.11656	8.8
149.06006	11.4
149.09615	53.0
149.13303	14.1
151.11191	63.6
153.05426	2.9
153.09100	22.6
158.10907	3.1
161.05983	6.0
161.13242	5.0
163.07501	4.6
163.11186	17.7
163.14801	6.9
165.09081	8.3
167.10643	10.1
167.14323	97.1
168.14723	2.2
173.09576	6.7
173.13257	18.2
173.18144	2.4
174.00781	2.2
177.05455	6.0
181.08569	3.3
191.07085	3.2
191.10690	27.1
191.14314	25.2
209.08081	4.2
209.09856	4.5
209.11783	40.8
209.15349	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	3.8
55.01846	5.5
55.05280	3.0
55.05514	36.8
57.07065	10.4
59.04993	3.5
62.40601	2.0
65.03913	2.2
67.05512	14.4
69.03426	25.1
69.07065	12.1
69.53989	10.5
71.04970	5.1
75.04490	1.9
79.05506	9.8
81.03413	3.0
81.07066	22.4
83.04975	38.9
83.08622	21.5
85.02879	2.2
85.06546	10.3
91.05461	13.1
91.42080	1.8
93.03382	2.9
93.07034	16.4
95.04974	39.9
95.08606	19.4
97.06541	10.1
97.10184	4.9
99.04446	6.7
103.05460	5.6
105.07020	12.6
106.04183	14.2
107.08589	36.8
109.06520	25.0
109.10166	16.1
110.11317	2.0
111.08109	11.7
119.04917	2.5
119.08566	7.0
121.06505	21.2
121.10141	21.2
121.66693	2.3
123.08064	10.3
123.11702	12.2
125.09637	59.1
125.10555	3.1
131.08577	11.5
133.10130	23.7
135.04475	2.4
135.08075	17.8
135.11679	6.8
137.09583	7.6
138.06862	1.9
139.07555	2.1
145.10100	6.4
147.04414	1.9
147.11685	7.2
148.05208	2.7
149.05977	23.2
149.09642	11.6
149.13272	11.5
151.11200	26.6
153.09128	29.5
158.10889	4.5
163.11150	5.8
163.14815	5.0
165.12778	16.3
167.14325	29.2
173.13295	25.3
176.12004	2.7
177.05453	15.1
181.08585	4.0
186.08417	1.9
191.07059	3.6
191.14313	88.3
209.07997	5.5
209.15363	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	Prosopidione
Peak:m/z	Relative Intensity
55.01902	0.6
55.05513	34.5
57.03442	1.1
57.07069	1.4
59.04996	2.0
65.03954	1.0
67.05505	4.2
69.03429	2.7
69.07059	2.1
69.35114	5.6
71.04994	5.2
73.95502	0.6
79.05503	2.2
81.07072	4.8
83.04984	26.9
83.08620	23.1
85.06544	1.6
91.05485	1.9
92.90497	0.7
93.07045	4.3
95.04970	100.0
95.08611	3.5
97.06538	4.9
97.10175	3.8
99.04461	17.0
99.08067	1.2
105.07032	2.8
107.08603	8.7
108.87932	0.7
109.06528	7.1
109.10166	10.4
111.08089	6.9
113.09591	0.9
115.07555	0.9
121.10171	3.4
123.08050	1.2
123.11689	5.4
125.09624	4.8
131.08516	2.1
133.10136	9.6
135.08047	1.5
147.11807	0.9
149.09676	0.9
149.13239	3.5
151.11185	24.3
153.09109	27.8
167.14328	34.7
173.13258	4.9
191.14331	5.6
209.15381	29.5
213.05170	0.7
213.42366	0.7
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-alpha-ionone
Peak:m/z	Relative Intensity
53.03944	3.9
55.05516	96.1
57.07063	4.7
59.04994	7.5
67.05492	9.0
69.03422	5.2
69.07061	8.4
70.83955	5.4
71.04984	8.5
79.05482	5.1
81.07053	23.9
83.04499	5.7
83.04986	99.6
83.08163	3.4
83.08627	61.9
85.06532	7.1
91.05475	9.1
93.07054	15.1
95.04978	36.2
95.08585	12.5
97.06524	17.1
97.10155	10.9
99.04473	5.0
99.08096	3.1
105.07030	18.1
107.08599	31.8
109.06535	29.1
109.10167	35.4
111.08073	12.8
117.06976	3.1
119.08569	5.1
121.10176	18.2
123.08046	3.9
123.11700	13.8
125.09630	15.5
131.08553	9.6
133.10144	45.3
135.08037	3.0
145.10156	3.1
147.11659	2.5
149.09689	3.1
149.13307	14.6
151.11201	66.5
153.09094	16.8
158.10716	3.6
167.14331	100.0
173.13284	18.7
191.14348	17.8
209.15381	48.5
218.16493	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.84497	1.7
53.03942	2.7
55.01868	2.0
55.05510	14.8
57.03417	4.3
57.07069	2.8
63.80489	1.6
65.03950	2.2
67.05507	30.0
69.03439	1.9
69.07082	7.9
70.90565	1.8
70.90910	3.2
71.05001	14.6
79.05497	9.6
81.07061	29.8
83.04974	12.8
83.08637	8.3
85.06541	4.1
87.99250	1.9
91.05484	13.2
93.07050	32.3
95.04975	24.3
95.08600	12.5
97.06522	5.6
97.10156	6.0
99.04459	2.2
99.08099	3.5
101.01015	1.9
103.05463	2.0
105.07030	33.6
106.04163	3.7
107.08602	32.1
109.06519	52.4
109.10162	54.5
111.08101	8.0
116.06247	1.7
117.07019	3.2
119.08576	14.6
121.06509	8.8
121.10137	28.1
123.08080	12.9
123.11696	5.6
125.09650	2.5
129.06990	2.6
131.08566	26.8
133.06540	2.5
133.10139	27.3
135.08063	18.4
135.11679	1.7
137.09628	3.3
145.10110	6.7
147.08070	3.3
147.11681	21.8
149.06003	7.1
149.09637	21.7
149.13264	15.3
151.11194	29.6
153.09097	3.9
158.10927	3.7
161.13277	20.0
163.11131	2.9
163.14856	6.2
167.14301	4.8
173.13281	22.6
177.05516	3.0
179.14294	14.5
191.14310	100.0
191.27676	1.5
209.15376	66.0
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
53.03943	1.3
55.01874	1.1
55.05516	18.6
57.07067	1.0
58.92223	0.7
59.04996	1.8
61.96738	0.6
67.05519	4.0
69.03431	1.3
69.07077	7.2
70.29073	2.0
70.29423	0.7
71.05013	3.0
71.05337	0.6
79.05495	5.3
81.07069	5.0
83.04991	13.6
83.08620	9.6
85.06548	1.5
89.06055	0.7
91.05491	4.5
93.07049	27.7
95.04973	49.7
95.08622	5.5
97.06537	2.7
97.10149	3.1
99.04459	9.2
99.08107	1.0
103.05473	1.0
105.07032	4.2
106.04199	0.7
107.04985	0.7
107.08600	26.9
109.06524	5.6
109.10170	6.8
111.08099	3.9
113.09650	0.6
115.07549	0.9
119.08559	3.9
121.06531	1.8
121.10151	100.0
123.08066	1.4
123.11734	2.9
125.05942	0.6
125.09648	3.8
131.04907	1.1
131.08566	1.8
133.10144	5.5
135.08051	2.0
135.11714	3.7
137.05969	1.1
140.16145	0.7
145.10132	1.0
147.11652	0.6
149.05975	2.0
149.13300	2.8
151.11192	10.7
153.05318	0.6
153.09102	15.4
163.14828	20.1
167.14331	17.2
167.34769	0.6
173.13246	4.5
177.05464	2.6
191.14316	10.5
191.15909	1.1
209.08067	1.3
209.15379	26.9
210.11243	0.7
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
53.03944	2.1
55.01866	1.9
55.05512	44.2
57.03429	1.3
57.07071	2.1
59.04999	2.5
65.03939	1.6
67.05517	6.0
69.03421	2.6
69.06700	1.3
69.07056	7.3
71.04977	4.3
71.39640	1.7
79.05498	7.9
81.07054	9.0
83.04981	40.5
83.08161	1.7
83.08621	26.5
85.02886	1.0
85.06540	2.3
91.05457	8.6
93.03391	1.8
93.06485	2.0
93.07051	29.8
95.04972	45.4
95.08620	8.5
97.06530	8.5
97.10181	4.3
99.04447	6.8
105.07024	6.8
106.04160	3.3
107.08597	35.5
109.06524	16.5
109.10163	16.0
111.08066	5.7
113.09621	1.4
114.55003	1.0
116.17565	1.1
116.32450	1.1
119.08563	4.6
121.06516	5.4
121.10148	100.0
123.08083	1.7
123.11700	6.1
125.06008	1.3
125.09628	8.3
130.35043	1.1
131.08534	2.6
133.10144	11.2
135.08046	2.2
135.11671	4.2
135.59827	1.0
147.11641	1.3
148.05324	1.1
149.05986	4.6
149.09607	1.2
149.13257	5.1
151.07541	1.4
151.11186	27.3
153.09106	14.5
153.12241	1.0
163.14819	21.5
167.14316	39.8
173.13293	4.6
177.05504	2.8
191.14304	12.2
209.15378	35.5
209.17346	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05512	6.1
57.07077	2.3
59.04988	1.9
67.05509	7.1
69.03429	5.8
69.07070	17.0
69.71853	7.6
71.05004	13.2
79.05492	4.8
81.07066	15.6
83.04979	13.0
83.08611	3.4
83.82006	1.2
85.02888	1.4
85.06523	3.2
91.05487	4.8
93.07052	12.5
95.04964	4.4
95.08617	41.1
96.59816	1.2
97.06546	11.7
98.07526	1.2
99.04468	5.8
99.08118	4.4
105.07036	10.9
107.04937	1.7
107.08606	34.5
109.06524	8.3
109.10164	16.6
111.08076	4.9
113.09646	2.1
115.07547	1.8
119.08605	7.9
121.06503	6.1
121.09329	2.4
121.10152	29.0
123.08076	4.5
123.11715	3.3
125.09644	9.8
131.08594	11.3
131.39653	1.3
133.10141	36.7
135.08067	11.2
135.11681	8.1
139.07605	2.0
139.11192	6.6
143.08542	3.3
145.10146	4.4
147.11684	10.9
149.09631	10.4
149.13286	14.1
151.11192	100.0
153.09129	3.8
158.10934	5.6
161.13260	2.3
163.14835	14.5
167.14331	1.9
173.13290	28.0
178.59369	1.4
179.14352	1.6
191.14325	79.0
201.97966	1.5
209.15390	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05514	10.0
57.03456	1.3
67.05499	4.1
69.03434	6.3
69.07064	3.1
69.48276	8.5
79.05484	6.9
81.07049	15.6
83.04977	5.6
83.08625	4.3
84.05296	1.3
91.05465	9.2
93.07051	3.6
95.04960	8.7
95.08606	3.1
95.09454	1.1
97.06541	1.9
99.85266	1.1
100.80259	1.2
101.97486	1.3
105.07040	10.6
107.08598	25.7
109.06524	16.8
109.10157	9.8
115.05481	3.2
117.07024	3.7
119.08579	4.0
121.06493	1.6
121.10149	16.6
122.07317	7.6
123.08032	2.8
123.11728	1.3
125.09656	2.0
131.08604	1.9
133.10133	100.0
134.10532	1.3
135.08052	19.0
135.11674	1.6
137.09619	70.6
145.10130	2.6
149.13252	15.8
151.11198	5.0
153.09105	2.2
158.10832	2.0
163.14793	1.6
167.14291	4.5
173.13254	6.1
191.14322	7.9
209.15404	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	6.1
55.01862	9.1
55.05514	36.8
57.03439	4.0
57.07063	4.2
57.53712	2.1
59.04992	4.3
65.03951	2.7
67.05521	16.3
69.03445	14.5
69.07055	9.4
71.04976	9.3
79.05493	10.5
81.07055	20.7
83.04987	31.3
83.08638	18.7
85.06544	8.0
89.03922	2.9
89.72955	2.2
91.05473	17.2
93.03403	6.0
93.07037	17.4
95.04378	3.0
95.04977	44.7
95.08612	17.3
97.06556	12.7
98.21520	5.5
99.04430	7.5
103.05484	6.2
105.07025	18.5
106.04178	15.7
107.04956	4.3
107.08615	41.4
109.06531	34.7
109.10165	27.7
111.08080	11.4
117.07002	2.6
119.08573	9.9
121.06517	20.4
121.10165	24.3
123.08105	12.2
123.11709	8.4
125.05992	3.8
125.09653	36.8
131.04956	4.8
131.08600	14.8
133.10138	21.4
134.03648	3.6
135.08061	23.7
135.11691	6.0
139.07539	4.6
144.09334	2.4
145.10126	8.1
147.11697	8.1
149.05977	24.3
149.09612	15.0
149.13284	15.6
151.11192	28.6
151.82593	2.2
153.09102	21.9
158.10857	4.9
161.09651	2.2
161.13240	6.3
163.03879	6.2
163.11176	4.7
163.14819	5.1
165.12773	28.8
167.14342	25.3
173.13287	24.2
176.11932	2.6
177.05431	13.7
181.08574	3.5
191.07072	3.3
191.14320	95.4
198.02316	2.2
209.04396	4.7
209.06186	3.1
209.07968	4.7
209.09805	4.1
209.15369	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	211.028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01872	1.1
55.05513	0.6
56.96568	100.0
57.03429	1.2
58.06612	0.5
60.32005	0.3
60.95849	1.7
61.02924	0.8
65.03944	1.2
67.05506	3.7
69.03429	1.4
69.25282	2.2
69.25697	0.5
70.06585	0.5
70.98132	0.8
71.01334	0.4
71.04985	0.7
71.95271	1.1
72.96030	0.4
73.02930	1.6
74.06095	1.2
74.97631	1.0
79.05067	0.6
79.05499	6.8
80.05850	0.3
81.03428	1.2
81.07067	5.5
83.04990	0.6
84.08147	1.1
84.96040	2.7
85.02914	2.3
85.06535	0.4
91.05486	9.6
93.07049	3.7
94.07423	0.3
95.04979	1.9
95.08620	4.1
97.02905	1.6
97.06554	0.5
97.99197	0.9
98.06056	0.3
98.21465	0.5
98.96938	0.5
98.97587	7.9
98.98210	0.5
99.04475	0.5
103.05482	1.6
105.00182	0.6
105.07043	4.6
107.04961	1.2
107.08592	1.5
109.02890	0.9
109.06535	3.7
109.10107	0.3
110.97579	2.1
112.07599	1.1
112.99119	0.4
115.02303	0.4
115.03965	0.4
116.00243	0.4
116.01265	0.3
116.98621	2.3
119.01809	1.7
119.04958	7.3
119.08598	0.3
121.06507	4.4
122.03638	0.4
123.04455	0.9
123.08060	2.9
124.99134	0.9
127.00664	0.7
127.03941	0.6
128.02335	2.0
128.98656	1.5
130.08665	1.8
131.00233	0.6
133.06544	0.9
134.97546	0.5
135.04407	0.5
136.04616	0.7
137.05978	10.8
137.09538	0.3
138.06351	0.6
139.00645	1.2
139.07533	0.4
143.00150	1.0
145.01733	0.7
145.05180	0.5
146.99666	0.6
147.03339	0.3
147.04417	5.9
147.98338	0.3
149.01144	0.4
149.05971	2.0
151.00665	1.6
151.07568	1.1
152.07126	0.4
152.98605	2.0
153.02220	0.5
155.00146	0.7
157.01762	0.8
158.99641	1.9
160.99135	0.6
161.01288	0.7
161.02789	0.4
161.05922	0.4
162.06305	0.4
162.97021	1.2
163.00621	1.9
163.03877	0.5
163.97827	1.6
164.07043	2.0
165.02240	0.8
165.04091	0.5
165.05501	3.7
165.09074	1.0
165.11047	1.2
165.99315	0.5
166.05687	0.5
167.00189	2.4
167.07066	4.2
168.13855	1.2
168.98079	0.4
169.01790	1.9
169.55161	0.4
170.99677	2.6
171.03212	0.6
172.05646	1.2
173.01198	0.7
173.04666	0.4
175.00665	0.9
175.04042	0.5
176.98616	6.4
177.00697	1.2
179.00214	6.1
180.98116	3.2
181.01707	2.6
181.06148	1.3
181.98862	6.2
182.99667	0.7
183.03278	1.4
183.06567	0.5
183.10182	0.7
184.00371	0.7
185.01230	2.6
185.04874	0.4
188.00009	0.7
189.00745	1.0
189.51653	0.9
190.06645	1.4
191.00160	2.3
191.03922	0.5
193.01703	6.3
193.04903	2.2
193.06516	0.3
193.08598	0.5
194.08218	0.3
194.99672	22.9
197.01244	8.4
197.02994	0.7
197.04890	0.9
198.99155	5.7
199.02809	3.4
199.99948	9.1
200.04480	0.5
201.00667	0.8
203.02202	0.8
204.98087	0.5
206.99669	10.8
209.01270	4.6
209.04419	0.6
210.61348	0.5
211.02792	40.8
211.06070	1.6
211.09610	0.7
211.11595	5.9
212.03029	0.4
213.00726	34.4
215.02350	1.9
217.00154	1.9
217.03845	1.4
218.01019	2.0
219.01762	1.2
220.02661	0.4
222.99171	0.5
225.00732	17.8
226.01311	0.4
227.02373	2.2
229.03851	37.3
231.01770	5.4
234.04329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0602
Annotation	Alcanivorone
Peak:m/z	Relative Intensity
51.02406	1.1
53.00295	0.9
53.03941	3.6
55.01875	1.4
55.06348	0.8
61.02115	0.9
65.03950	3.6
67.05511	15.3
70.57571	2.9
71.01353	3.9
77.03928	1.0
79.05495	14.2
81.03414	1.7
81.07069	14.8
91.05490	82.0
91.45870	0.9
91.87684	0.9
93.03389	1.3
93.07047	14.1
94.04224	1.1
95.04991	7.9
103.05480	9.5
105.03405	1.8
105.04571	0.9
105.07060	1.6
107.04933	2.1
109.02891	3.0
109.06529	21.1
111.04435	1.0
119.04955	100.0
121.06513	31.6
123.04425	4.4
123.08088	1.1
131.04958	3.9
135.04436	2.8
137.02393	0.9
137.05989	28.0
145.02879	2.9
147.04422	92.1
149.06001	22.0
151.03915	1.1
158.21895	0.9
163.03928	9.9
165.05495	57.9
169.73746	0.8
175.03920	15.2
183.06544	3.7
185.49887	0.9
191.03401	1.4
193.04976	26.0
201.73904	0.9
209.04474	10.8
211.06071	16.0
230.60622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0603
Annotation	Alcanivorone
Peak:m/z	Relative Intensity
51.02384	0.7
52.70818	0.5
53.00296	0.5
53.03951	2.8
55.01878	2.7
55.05507	1.6
56.47953	0.5
56.96568	1.0
57.03429	0.6
65.03932	3.9
67.05508	18.2
68.99784	0.9
69.03422	2.1
70.06594	1.2
70.45609	1.0
70.45967	0.6
71.01363	5.9
71.04985	1.8
72.08136	0.6
77.03921	0.9
79.05499	24.6
81.03431	2.9
81.07064	23.7
83.01353	0.6
83.04970	1.5
83.23460	0.4
84.08148	0.5
84.11403	0.5
85.02911	3.0
91.05488	61.8
93.03406	1.6
93.07049	14.5
94.04189	0.9
95.04974	9.4
95.08620	4.4
97.02895	0.8
97.06533	2.1
97.99187	0.5
98.97573	0.9
99.04462	2.7
103.05470	11.0
105.03394	1.4
105.04518	1.4
105.07040	20.2
107.04969	3.3
107.08609	3.0
108.05782	0.7
109.02900	3.7
109.06526	15.1
109.10164	0.6
111.04436	0.9
115.05459	1.2
117.07053	0.7
117.76933	0.4
119.04951	61.2
119.08619	1.2
121.02895	1.2
121.06516	27.0
122.03674	3.3
122.07303	1.0
123.04434	5.4
123.08079	9.7
125.05979	1.0
125.09583	0.5
127.03947	1.0
131.04930	1.4
133.02850	1.3
133.06506	6.5
133.10138	0.8
135.04420	2.1
135.08067	0.5
137.02347	1.3
137.05989	100.0
137.09535	3.1
139.03928	1.0
139.07562	1.0
141.05453	0.6
145.02826	0.8
147.04422	52.7
147.11777	0.5
149.05988	16.0
150.09161	0.7
151.03949	1.9
151.07552	7.0
153.05458	1.4
161.05977	3.0
163.03922	5.1
164.07083	2.3
165.01862	1.6
165.05492	32.3
165.09123	9.8
167.07056	7.6
175.03935	8.2
175.05336	0.9
175.07498	0.6
178.06163	0.6
179.03442	0.6
179.07074	5.1
183.02913	0.7
183.06548	4.1
183.10223	3.1
185.95207	0.5
191.03468	0.8
191.75453	0.5
193.04982	17.9
193.06779	1.1
193.08572	3.1
209.04462	4.7
210.61565	1.2
210.63446	0.9
211.02394	15.1
211.05975	10.1
211.07559	0.9
211.09679	13.1
211.11520	1.6
211.13417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
51.02380	0.3
53.03952	1.1
54.29186	0.2
55.01873	1.0
55.05512	0.6
57.03443	0.4
62.29552	0.3
65.03920	1.2
66.27460	0.3
67.05507	10.4
69.03433	0.6
69.07076	0.3
70.06597	0.3
70.34455	0.9
71.01361	3.1
71.04990	0.4
74.62227	0.3
77.03897	0.4
79.05498	10.1
81.03420	1.1
81.07059	8.8
83.04988	1.4
83.08550	0.3
84.58820	0.3
85.02901	0.8
91.05484	25.7
92.05798	0.2
93.03415	0.5
93.07050	7.9
93.07640	0.4
94.04182	1.1
95.04962	3.8
95.08620	0.9
97.06582	0.5
98.08069	0.2
99.00834	0.3
99.04465	0.7
103.05470	4.6
105.03385	0.7
105.04520	0.3
105.07037	6.9
107.04967	1.4
107.08587	0.6
109.02874	1.5
109.06526	6.4
109.10142	0.3
111.08009	0.4
115.05428	0.5
119.04944	21.3
119.08580	0.3
121.06512	11.9
122.03651	3.0
123.04433	4.2
123.08064	2.5
125.09676	0.3
131.04916	0.5
133.02843	0.8
133.06500	2.9
135.04462	0.8
136.05214	0.3
137.05980	100.0
138.06339	0.6
139.03880	0.5
139.07509	0.7
141.05493	0.5
147.04414	19.6
149.05972	4.9
151.03906	0.5
151.07542	4.6
153.05467	2.1
154.06267	0.9
155.07022	0.2
161.05965	1.0
163.03899	1.5
164.07147	0.6
165.05489	9.3
165.06909	0.5
165.09125	3.1
167.07030	2.5
175.03914	2.8
178.06303	0.9
179.07019	6.7
181.08667	0.3
183.06531	1.4
183.10175	0.7
188.55026	0.3
193.04956	6.7
193.06761	0.3
193.08597	1.5
209.04419	0.7
210.61562	0.3
210.63370	0.2
211.06035	3.7
211.09648	10.1
211.11491	0.4
222.27174	0.3
228.68344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02391	1.2
53.03942	4.5
53.64133	1.3
55.01876	6.2
55.05513	35.9
55.71548	1.2
57.03432	11.5
57.07061	1.4
59.04998	2.5
60.82185	1.3
64.00107	1.3
65.03938	3.5
67.05508	31.9
69.03436	7.1
69.07066	12.6
69.57670	7.9
71.05001	6.4
76.49448	1.3
79.05499	33.9
81.03422	100.0
81.07057	39.6
81.28015	1.2
83.04984	45.1
83.08219	0.9
83.08617	33.9
85.02902	2.7
85.06546	4.5
91.05480	35.2
92.51030	1.2
93.07050	20.0
95.04970	30.8
95.08609	18.5
97.02891	2.5
97.06528	6.8
97.10178	7.7
99.08155	1.8
105.07047	29.5
107.04966	8.2
107.08611	15.0
109.06536	7.8
109.10203	7.7
111.04415	3.2
111.08085	19.0
113.06058	1.5
115.05456	2.5
117.07008	1.4
119.04946	4.5
119.08578	28.7
121.06511	4.1
121.10161	9.7
123.08089	8.1
123.11696	1.5
125.09650	4.4
129.07022	11.7
131.08577	10.8
133.06509	3.0
133.10136	24.0
135.11684	9.6
137.05981	35.8
137.09598	7.9
142.07806	2.2
145.10152	1.6
147.04422	4.7
147.08095	3.1
147.11700	18.1
149.05902	1.5
149.09583	6.8
151.07553	2.1
153.06981	1.7
155.08536	2.3
157.10133	17.1
162.54259	1.3
165.05550	2.8
165.07056	2.3
165.12790	4.5
167.07077	9.4
167.10565	1.3
168.05705	9.1
169.10156	2.5
175.11185	19.3
175.14838	13.1
179.06992	3.0
183.07988	2.2
193.12260	48.2
193.15915	2.4
194.12630	1.4
196.05202	6.7
196.12581	1.3
211.07607	28.5
211.09706	5.0
211.11339	2.5
211.13213	27.5
211.16676	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.01868	3.6
55.05513	38.9
55.09027	1.6
57.03444	8.9
57.07066	5.4
59.05000	2.0
60.05984	1.3
60.50632	1.7
67.05508	43.8
69.03416	6.3
69.07069	20.8
69.66980	10.3
71.04990	8.5
71.08627	3.0
77.03919	1.5
79.05495	21.2
81.03423	50.2
81.06597	3.1
81.07058	50.7
83.04984	36.6
83.08149	2.6
83.08620	32.1
85.06550	8.4
91.05478	28.1
93.07047	30.3
95.04967	19.5
95.08609	61.4
97.06528	10.8
97.10160	9.9
98.20674	1.9
99.08094	3.9
105.07040	26.3
107.04939	3.6
107.08594	35.4
109.06517	16.8
109.10162	100.0
110.07302	1.8
111.08083	54.0
113.06014	1.5
113.09615	2.5
115.31154	1.7
117.06973	2.1
119.04945	2.8
119.08584	63.1
121.06496	2.2
121.10143	29.7
123.08070	51.3
123.11724	18.6
123.46957	1.8
125.09650	8.1
127.11192	3.6
129.07001	6.7
131.08543	7.8
133.06477	1.8
133.10139	47.6
135.10713	3.4
135.11697	52.9
137.06000	18.2
137.09621	93.2
137.13240	5.1
138.10382	6.9
139.11147	5.5
147.04338	2.4
147.08041	2.2
147.11682	18.0
149.09619	2.2
149.13269	14.7
151.11165	5.2
151.14809	10.0
157.10130	10.6
163.11156	2.8
165.12732	12.4
165.16438	3.9
167.07033	4.8
175.11241	11.4
175.14832	62.5
179.07074	2.3
193.12250	26.6
193.15889	42.9
211.07487	2.0
211.11269	2.6
211.13281	13.5
211.16904	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03924	2.1
55.01877	2.5
55.05516	20.0
57.03432	10.3
57.07061	3.8
67.05508	33.1
69.03429	5.2
69.07067	20.6
69.22958	7.3
69.23376	4.9
71.04997	7.8
71.08630	2.8
71.91980	1.3
79.05502	8.8
81.07062	37.5
83.04995	13.2
83.08620	13.3
85.06564	7.5
91.05472	10.2
93.07054	25.2
95.04957	4.1
95.08611	60.7
97.06536	11.0
97.10167	3.8
98.20847	3.7
99.08080	3.8
105.07029	14.5
107.08600	38.7
109.06532	16.9
109.10163	97.7
110.20465	1.6
111.08086	47.7
113.06030	3.3
113.09606	2.4
119.04910	2.8
119.08590	49.6
121.09328	2.5
121.10149	31.4
122.07259	2.3
123.07209	3.1
123.08075	47.5
123.11716	16.3
125.09628	9.7
127.11150	2.1
131.08611	1.9
133.10138	41.4
135.08011	1.4
135.11699	49.2
137.06003	14.4
137.09622	100.0
137.13182	6.7
138.10417	7.5
139.11206	7.5
147.04407	3.7
147.11722	12.0
149.05988	1.6
149.09607	1.6
149.13283	14.5
151.11177	5.6
151.14832	11.4
157.10078	1.7
163.11166	2.7
165.12744	15.8
165.16341	2.6
167.07089	4.7
167.10616	1.7
175.14838	65.5
178.13490	2.3
179.07068	1.5
193.12325	1.9
193.15897	40.0
211.14912	2.3
211.16946	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	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
55.05506	3.6
56.87864	0.8
57.03436	1.2
57.07068	1.2
67.05511	4.1
68.66723	0.7
69.03446	0.8
69.07056	5.1
69.86211	4.2
70.23076	0.7
71.04985	3.9
75.37182	0.8
79.05491	4.4
81.03395	0.9
81.07063	15.9
82.92504	0.8
83.08613	1.3
85.06558	1.1
91.05486	8.4
93.07041	9.0
95.04958	1.1
95.08615	21.3
97.06536	1.8
99.04478	1.3
99.08101	3.8
100.52441	0.8
105.07037	13.0
105.63904	0.7
107.08597	14.1
109.06522	2.9
109.10161	10.6
111.08101	2.4
113.09648	4.9
116.12409	0.8
119.04967	2.0
119.08591	52.0
121.10178	4.5
123.08059	2.7
123.11711	6.6
125.09638	1.1
131.08604	1.3
133.10139	100.0
135.11708	34.0
137.06000	14.0
137.09633	6.2
147.04433	1.8
147.11717	3.0
149.13297	1.6
151.07527	1.7
153.12738	0.9
167.06975	1.8
175.14838	78.5
179.07037	1.5
193.15886	9.6
211.07863	0.9
211.09702	2.4
211.15005	1.5
211.16876	6.3
221.57663	0.8
227.78250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01879	2.4
55.05278	1.6
55.05519	19.7
55.63823	1.6
57.03444	10.8
57.07077	3.6
67.05511	35.8
69.03413	3.8
69.07066	20.9
69.52428	11.0
71.04994	11.8
79.05485	8.9
81.07066	33.0
83.04993	11.2
83.08621	12.2
85.06555	11.3
91.05473	11.3
93.07053	28.2
95.04984	7.9
95.08614	62.0
97.06551	12.1
97.10179	5.3
98.21466	3.6
99.08112	5.5
103.05456	2.2
105.07032	16.8
107.08607	38.3
109.06538	17.3
109.10166	99.9
111.08090	45.1
113.06000	3.3
115.07615	1.9
119.04960	2.8
119.08591	52.5
119.29607	1.5
121.06506	3.7
121.10155	30.8
123.08071	44.0
123.11707	18.2
125.09647	7.5
127.11193	2.1
127.24717	1.5
131.08574	2.3
133.09135	2.8
133.10144	45.8
135.11705	60.8
137.05995	10.8
137.09624	100.0
137.13261	4.9
138.10390	7.9
139.11183	4.7
145.10042	1.7
147.04437	2.4
147.11736	12.5
149.09560	1.6
149.13277	15.7
151.11203	5.4
151.14845	10.0
153.12810	2.2
163.11252	2.8
165.05440	3.3
165.12740	13.1
165.16449	3.2
167.07013	5.8
168.36398	1.6
175.14833	66.4
178.13557	1.7
179.07092	2.3
193.12288	3.0
193.15897	45.6
206.72081	1.7
211.07524	4.3
211.09505	2.1
211.11505	2.2
211.13301	3.3
211.16953	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.01879	2.3
55.05515	21.1
57.03453	6.8
57.07078	8.6
59.04999	2.2
60.11673	1.4
67.05507	34.4
69.06731	2.0
69.07069	26.5
69.48377	5.3
69.48806	5.3
71.05000	8.1
71.08627	2.0
79.05489	12.6
79.32265	1.3
81.03416	3.6
81.07056	65.5
83.04990	11.3
83.08620	16.2
85.06555	9.7
91.05479	12.2
93.07048	35.3
95.04960	6.7
95.08609	73.5
97.06542	9.3
97.10174	8.1
99.08078	5.9
105.07031	18.7
107.07883	2.5
107.08598	57.5
109.06509	12.6
109.10161	100.0
111.08088	43.0
111.11728	3.6
113.09625	1.6
117.06928	1.3
119.08590	56.2
121.09334	2.5
121.10145	36.6
123.08070	43.1
123.10855	2.2
123.11705	28.0
125.09608	4.6
127.11208	3.4
133.10133	49.9
135.11694	64.9
137.05997	21.1
137.09622	93.6
137.13240	6.7
138.10385	6.6
139.11163	3.6
147.04367	2.5
147.11720	10.9
149.13274	16.6
151.11208	7.5
151.14803	11.9
153.05327	1.5
153.12881	2.2
163.11154	3.8
163.14828	87.1
165.12785	12.6
165.16377	4.7
167.07025	2.9
175.14830	82.8
178.13536	3.6
179.07001	2.7
181.15860	18.5
193.12158	2.6
193.15881	37.9
211.07542	3.1
211.09540	3.0
211.11366	3.0
211.14899	3.2
211.16927	43.1
211.20366	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03919	1.7
55.01869	2.2
55.05514	23.3
57.03429	7.8
57.07069	4.4
58.38741	1.6
62.37564	1.6
62.46634	1.6
67.05508	26.8
69.03438	2.8
69.07079	16.3
70.52352	1.9
70.52693	4.8
71.04988	5.8
71.08618	2.6
74.11942	1.6
79.05493	8.9
81.07059	36.8
83.04991	8.9
83.08617	16.8
85.06541	7.8
91.05477	8.9
93.07044	19.5
95.04967	3.8
95.08614	63.1
97.06519	7.6
97.10152	4.6
97.58916	1.7
99.04460	3.2
99.08082	2.9
105.07056	9.9
107.08606	29.2
109.06528	14.7
109.10167	100.0
111.08097	48.9
113.05969	3.8
113.09673	3.1
119.04881	2.3
119.08591	46.2
121.10152	32.5
122.07230	2.2
123.08083	47.8
123.11713	19.1
125.09628	6.2
127.11197	2.5
133.10143	46.7
135.11707	55.5
137.06015	3.1
137.09628	95.9
137.13268	4.3
138.10388	8.3
139.11180	6.3
147.11678	7.8
149.13271	14.4
151.11215	8.6
151.14874	10.2
163.11212	2.2
165.05339	2.1
165.12764	14.0
165.16379	5.9
173.13211	1.9
175.04039	2.0
175.14844	68.0
193.15923	41.1
211.15170	3.2
211.16986	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31054	0.4
55.05516	1.4
56.96572	0.4
57.03431	1.0
57.07074	4.6
64.75536	0.4
64.98690	0.4
67.05515	4.6
69.03434	0.8
69.07070	3.2
69.37794	0.8
69.38203	2.7
71.04993	0.4
79.05502	2.1
81.03429	1.0
81.07057	37.4
83.08617	1.1
84.36066	0.4
85.06548	0.6
87.04474	6.2
91.05478	1.6
93.07049	1.7
95.04987	0.8
95.08611	7.5
97.06528	0.9
105.07030	1.1
107.08597	2.6
109.06535	0.6
109.10158	2.0
111.08132	0.5
119.04875	0.6
119.08569	1.4
121.10122	1.7
123.11705	59.3
124.12064	0.4
125.13263	1.5
127.13293	0.4
133.10144	1.0
135.11711	1.1
137.05988	4.5
137.09584	1.0
147.11671	0.6
149.13251	2.1
151.11182	100.0
152.11519	0.7
155.08499	0.6
157.10077	0.4
167.07196	0.8
167.14279	0.4
168.05797	0.4
175.14818	1.3
179.07086	0.7
181.15182	0.4
193.15912	1.4
196.05196	0.8
211.07553	3.3
211.09480	0.9
211.11404	0.7
211.14879	1.1
211.16910	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	212.1282
Annotation	Mescaline
Peak:m/z	Relative Intensity
53.03937	0.3
55.01875	0.5
55.05514	5.1
56.05039	0.5
56.96562	0.6
57.03437	0.3
60.04528	1.6
61.02937	0.4
67.05514	1.5
68.05026	1.0
69.03413	0.7
69.06796	0.3
69.07076	2.9
69.51057	2.1
70.06590	0.6
71.05000	0.5
72.08170	0.4
73.02923	0.3
74.02438	0.7
79.05487	0.9
80.05031	0.4
81.03421	0.7
81.07076	1.7
81.07453	0.3
82.06572	0.4
82.07396	0.3
83.04978	0.4
83.08155	0.5
83.08624	6.6
84.08135	0.5
85.02916	0.5
86.06068	0.4
88.03497	0.5
88.03999	7.5
91.05492	0.8
92.05807	0.6
93.07085	1.4
95.04960	0.7
95.08608	3.7
96.08138	0.7
97.06528	0.3
98.97565	0.6
99.04461	0.4
102.05587	0.3
103.05449	0.3
105.07013	0.7
106.91100	0.3
107.04948	1.0
108.08141	0.4
109.02867	0.4
109.06525	0.5
109.08892	1.0
109.10012	0.3
110.92197	0.3
110.97609	0.3
111.08092	6.5
114.83047	0.3
119.04970	0.4
120.05286	0.7
120.08089	1.0
121.06512	0.8
122.06803	0.5
122.08865	0.5
122.09666	3.7
123.04446	0.4
124.07569	0.5
127.03928	0.6
130.96315	0.3
136.07632	0.8
137.05952	0.7
138.06323	1.3
138.09116	0.9
140.04634	0.7
140.10735	0.5
141.05444	0.4
144.04808	5.6
148.04802	0.7
150.09172	2.1
150.10173	0.3
150.12773	1.6
155.07021	1.0
163.03838	0.5
166.05907	0.5
166.08597	0.6
166.12282	13.2
167.07095	0.5
168.07346	1.0
168.10210	20.9
169.04913	0.7
194.05429	0.5
194.08183	0.5
194.11823	1.0
209.34067	0.3
209.46141	0.3
212.12830	100.0
213.10890	0.5
213.13158	0.8
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	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01871	5.5
55.05499	20.3
57.03427	12.1
57.07079	10.4
60.88337	4.7
67.05506	84.6
69.07069	30.9
70.61294	4.4
71.04983	12.6
71.52483	5.6
79.05495	42.9
81.06598	6.5
81.07059	100.0
83.04978	13.7
83.08610	20.5
85.06494	6.5
88.07640	22.7
90.63677	4.7
91.05471	20.3
93.07046	75.4
95.04986	6.6
95.08615	36.3
97.06526	21.4
97.10143	6.4
99.04401	4.6
99.08085	5.3
105.07024	15.7
107.08576	30.1
107.94890	4.6
109.10142	6.2
110.36988	4.8
111.08085	9.4
117.06998	12.9
119.08615	7.7
121.10152	26.7
128.06126	5.1
129.07001	13.8
131.08539	9.1
133.10121	14.7
135.11699	17.3
135.42885	4.5
139.07599	6.9
143.08571	13.5
145.10144	6.7
149.13275	52.5
151.03891	5.6
154.07730	5.1
156.09384	6.0
157.10103	16.5
159.11678	18.9
167.08499	8.2
171.07925	5.3
171.11743	11.2
177.12758	14.8
177.16296	7.8
195.06544	12.2
195.08134	8.5
195.13869	11.6
213.05493	5.7
213.09059	19.5
213.12875	9.7
213.14732	3.7
213.16432	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03935	0.6
55.05514	17.0
57.03431	1.2
57.07080	9.8
59.05009	0.5
64.68885	0.5
67.05507	4.5
69.03433	1.6
69.07070	3.6
71.04993	1.3
72.86523	0.5
79.05513	3.5
79.05895	0.7
81.07061	6.3
83.04990	9.1
83.08599	1.2
85.06554	5.6
85.87639	0.5
88.07619	1.5
91.05478	3.8
93.06480	1.0
93.07052	14.4
95.04961	1.5
95.08612	12.4
95.09181	0.9
97.06537	6.0
105.07059	5.0
107.04922	0.9
107.07879	1.0
107.08603	20.9
109.06522	5.4
109.10168	3.4
111.04449	100.0
111.08067	2.6
112.60979	0.7
113.06017	2.2
115.05482	0.7
116.59307	0.6
117.07024	1.8
119.08575	2.4
121.06527	2.9
121.10129	3.4
122.07306	1.3
123.08088	1.3
125.05999	29.4
127.07547	3.9
130.07802	1.6
135.08064	15.8
135.11697	23.2
137.05966	0.6
137.13280	1.5
139.07556	4.4
143.08568	1.1
145.09235	0.3
145.10133	18.8
153.12775	5.7
157.10158	1.4
163.11188	22.7
171.11717	0.7
181.12245	57.2
182.12624	0.6
191.91240	0.6
195.06531	0.6
195.13808	5.8
213.09056	1.2
213.12772	1.4
213.14886	2.2
213.16412	2.3
213.20422	0.6
215.96539	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.60054	2.1
53.03938	5.5
55.01860	5.2
55.05514	20.0
57.03423	3.1
57.07060	4.1
65.03924	3.5
66.60754	2.4
67.05509	73.5
69.03443	3.0
69.06729	2.4
69.07071	23.5
70.06574	2.4
71.04991	12.1
71.52093	3.8
79.05061	3.6
79.05496	32.8
81.03416	18.0
81.07060	100.0
83.04958	7.8
83.08626	15.5
85.02922	4.2
85.06535	8.1
87.04473	2.3
88.07602	2.9
91.05493	17.9
93.07049	58.5
95.04958	9.1
95.08614	60.1
97.02897	4.5
97.06527	14.4
97.10155	5.1
99.04459	7.0
99.08092	9.7
105.07056	11.6
105.07724	1.9
107.04955	5.2
107.08591	28.1
109.02870	19.5
109.06522	2.4
109.10166	19.1
110.03672	6.8
111.08064	9.9
112.11260	2.7
113.06051	3.1
117.07035	15.7
119.08617	3.7
121.10162	21.1
123.04459	5.5
123.11723	7.1
125.09620	2.8
127.03918	40.0
128.06245	4.5
129.06966	13.0
131.08582	17.0
133.10143	17.8
135.08060	4.5
135.11713	36.4
139.11180	3.0
141.06947	3.4
142.07817	7.5
143.08553	6.8
149.13258	38.6
151.03917	5.4
152.06239	4.6
153.01779	2.1
153.07024	2.8
155.08516	2.9
156.09331	2.8
157.06537	2.8
157.10161	13.9
159.11694	42.3
165.06981	2.6
165.16399	6.7
167.08577	5.0
167.39026	2.2
170.07288	4.6
171.11708	7.7
177.12759	27.0
177.16414	21.7
181.06456	2.7
183.17459	3.6
184.05170	3.8
185.05923	4.1
185.09607	5.9
185.13246	2.9
195.06487	4.0
195.08052	13.5
195.09770	2.8
195.11905	3.3
195.13792	22.7
195.17455	2.7
198.06671	2.5
213.03925	16.4
213.05573	5.0
213.09135	35.2
213.12712	11.0
213.14436	3.3
213.16492	25.5
213.18408	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	213.1486
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03942	1.8
53.73622	0.9
55.01876	9.8
55.05514	49.3
57.03433	1.2
57.07069	1.4
57.75989	1.2
59.04991	1.6
67.05198	1.4
67.05511	21.4
69.03432	6.9
69.07073	12.4
71.04996	51.2
71.53059	2.0
73.06585	0.9
79.05500	15.2
81.03419	2.2
81.07061	21.7
83.04958	3.9
83.08159	1.6
83.08620	28.7
85.06548	6.4
85.10117	1.0
87.04480	6.5
88.07625	1.4
91.05464	4.1
93.07041	13.7
95.08614	9.8
97.06535	70.8
97.10175	45.4
99.08073	1.6
101.09654	1.3
105.07035	2.6
107.04971	1.9
107.08607	16.7
109.06450	1.3
109.09492	1.5
109.10162	13.9
111.08077	4.9
113.04086	0.9
113.05969	1.7
113.09675	1.3
117.06974	3.5
119.08572	1.8
120.57683	0.9
121.06441	1.6
121.09293	1.3
121.10129	5.1
123.11662	1.3
125.09628	26.1
127.03889	3.5
129.06967	2.7
131.08548	3.3
133.10159	5.2
133.33708	0.9
135.08041	4.3
135.10776	1.5
135.11690	5.2
143.08566	2.2
147.48991	1.1
149.13243	4.2
153.09146	1.4
153.12700	1.6
157.10156	2.2
159.11722	5.3
161.52748	0.9
167.06981	1.8
167.08656	1.0
171.10254	1.8
171.11636	1.9
177.12830	5.1
177.16385	2.0
185.09554	1.5
185.13190	1.0
189.11221	5.4
195.07990	1.1
195.11993	2.1
195.13811	35.9
195.17390	1.6
213.05563	2.3
213.09283	5.0
213.14838	100.0
214.15099	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03942	5.0
55.01878	4.2
55.05516	20.7
57.03440	16.4
57.07076	4.8
61.59410	1.7
65.03940	2.3
67.05509	77.2
69.07068	24.3
69.81272	9.8
71.04990	7.6
79.05499	41.8
81.03419	3.4
81.07061	100.0
83.04984	12.1
83.08623	20.8
85.06536	8.3
88.07640	4.1
90.14433	1.7
91.05495	18.6
93.07053	68.2
95.04962	5.7
95.08615	24.9
97.06532	15.8
97.10133	3.2
97.48041	1.8
99.08109	4.3
105.07047	9.5
107.08604	39.4
109.06514	2.2
109.10169	5.2
111.08070	8.9
117.06994	10.9
119.08593	3.3
121.06466	2.4
121.10141	22.1
123.11685	1.8
125.06003	3.5
127.03926	2.8
128.06197	2.3
129.07028	3.1
131.08589	10.6
133.10144	11.3
135.08122	2.8
135.11693	16.9
139.11153	2.2
142.07797	2.6
143.08589	4.3
149.12059	3.1
149.13268	61.7
152.06203	3.4
157.06464	2.3
157.10144	7.7
158.37067	1.5
159.11716	24.8
170.07294	2.4
171.11612	4.2
177.12808	10.6
177.16344	1.8
178.87801	1.9
185.09636	3.8
195.06526	3.9
195.08177	3.0
195.13817	14.4
201.71550	1.9
204.02246	1.8
213.05432	4.6
213.09023	9.3
213.12852	8.8
213.16476	10.3
214.67453	1.8
219.80449	1.7
225.72269	1.7
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
52.09775	0.5
53.03938	0.9
55.01867	2.8
55.05510	9.3
57.03434	0.7
57.07072	3.0
59.05009	0.7
67.05508	7.2
69.03431	1.3
69.07072	16.0
71.04997	8.1
71.08624	0.7
73.06606	0.6
75.71181	0.5
79.05494	5.8
79.20267	0.5
80.46980	0.5
81.03420	1.2
81.07058	19.3
83.04953	0.9
83.08626	10.6
84.08941	0.5
85.06540	6.3
88.07623	0.8
89.34388	0.4
91.05483	2.3
93.07046	14.8
93.24378	0.5
95.08609	32.9
97.06544	1.5
97.10169	6.4
99.04521	0.6
99.08094	33.2
105.07017	3.1
107.04957	0.6
107.08595	29.5
109.02886	1.5
109.06536	0.7
109.10161	16.5
111.08079	14.7
111.11742	0.7
113.09633	3.1
117.07053	0.7
119.08597	1.0
121.10144	59.1
123.11722	2.1
125.09633	6.4
127.03902	3.9
127.11201	0.6
128.06226	0.6
129.07033	0.6
133.10179	0.6
135.11691	12.9
137.13258	8.3
139.11203	2.2
142.07805	0.9
143.08533	1.0
146.67546	0.6
149.13277	5.1
151.14851	0.8
153.12747	1.9
157.06532	0.5
157.10144	1.5
167.07063	0.7
167.08591	0.7
171.11671	0.7
177.16391	100.0
185.09595	0.8
195.06528	0.9
195.08139	0.9
195.11656	0.6
195.17458	19.0
213.05516	1.3
213.09033	2.2
213.12810	2.4
213.16513	1.2
213.18501	17.5
232.35016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29807	1.3
53.03938	2.5
55.01870	7.0
55.05265	2.5
55.05517	26.0
57.03438	1.8
57.07079	2.5
65.01974	1.5
67.05508	12.6
69.03428	5.0
69.07070	22.2
71.04994	18.9
79.05493	11.3
81.03407	5.4
81.06609	1.5
81.07063	26.5
83.05000	2.2
83.08625	20.7
85.06535	6.2
87.04455	1.6
91.05476	4.0
93.07050	23.0
95.08612	41.7
95.09182	3.0
97.02887	1.9
97.06544	23.7
97.10174	21.1
99.04456	1.6
99.08109	24.5
99.08746	2.1
105.07037	3.9
107.08604	44.9
109.02907	2.5
109.10165	15.1
111.08083	17.7
113.09640	3.2
117.06995	2.0
119.08615	1.9
121.06541	1.4
121.10155	69.3
122.22795	1.6
123.11702	3.1
125.06001	1.5
125.09642	14.5
127.03933	7.9
129.06943	2.2
131.08562	2.2
133.10161	1.6
135.11703	17.2
137.13274	8.6
142.07722	1.3
143.08607	1.6
149.13245	8.0
153.12761	2.0
157.10182	2.9
167.08633	2.0
177.12784	4.8
177.16400	100.0
188.28795	1.5
189.11240	2.2
195.13821	10.3
195.17450	19.3
213.05502	3.8
213.09091	5.6
213.12863	1.9
213.14841	32.2
213.16656	2.7
213.18327	7.6
224.24312	1.3
229.02762	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1851
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
52.29950	1.1
54.45519	1.2
55.01867	3.2
55.05515	11.6
57.07075	3.3
59.80518	1.3
67.05514	4.4
69.03442	2.4
69.07078	15.8
70.72516	3.2
71.04987	2.9
78.16097	1.3
79.05509	5.6
81.03416	1.8
81.07061	17.0
83.04988	1.5
83.08630	10.5
85.06551	5.2
91.05490	3.2
91.58092	1.5
93.07047	12.7
95.08615	39.7
97.10184	8.5
99.08099	22.7
100.11271	2.7
105.07059	3.4
106.26695	1.4
107.08608	32.9
109.02888	2.7
109.10168	13.0
111.08103	14.9
113.09679	3.3
121.10158	63.8
123.11744	3.4
125.09661	8.3
127.03949	8.4
135.11696	13.8
137.13297	10.8
139.11206	1.7
140.19460	1.2
141.11472	3.0
149.13274	5.5
151.14830	1.2
157.10120	2.0
167.08507	1.5
177.16408	100.0
182.15390	1.9
195.17468	15.6
203.01704	1.1
213.09201	1.9
213.12863	1.7
213.18419	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	213.1851
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03947	2.3
55.01860	2.3
55.05513	18.0
57.03426	2.0
57.07069	4.7
65.03921	1.9
67.05192	1.5
67.05508	22.5
69.03428	3.3
69.04707	1.4
69.06732	2.0
69.07074	22.0
70.06593	2.2
71.04979	4.3
79.05485	11.0
81.03407	5.7
81.07060	61.1
83.04949	1.6
83.08620	22.5
85.02876	1.9
85.06554	11.5
88.07625	4.4
88.49247	1.1
89.20715	1.3
89.43431	1.3
91.05496	6.9
93.07051	17.6
93.59906	1.2
95.08614	100.0
97.02901	2.4
97.06536	3.1
97.10171	12.2
97.35704	1.3
99.04449	2.1
99.08104	8.0
103.05400	1.3
105.07020	5.2
107.04942	1.4
107.08606	28.6
109.02895	3.7
109.10164	89.1
110.10477	1.3
111.08052	4.6
111.11682	1.7
113.09663	2.8
117.06970	1.6
119.08569	3.7
121.09347	2.1
121.10161	37.4
123.04391	1.6
123.10838	2.5
123.11710	34.3
125.05967	1.2
125.09621	2.4
125.13236	1.7
127.03925	14.1
128.06209	2.2
129.06993	8.5
133.10109	1.7
135.11696	12.8
137.13249	4.7
139.11198	2.5
141.06981	2.7
142.07753	6.9
143.08559	5.8
145.10208	1.4
149.13252	4.5
151.03981	2.2
152.06235	4.0
153.12791	7.3
156.09332	1.2
157.06487	4.1
157.10124	12.4
165.05579	1.3
165.07033	1.5
165.16412	43.5
167.04938	1.6
167.07245	1.3
167.08574	5.7
170.10791	2.5
171.08038	2.6
171.11664	5.1
177.16393	66.2
179.73302	1.5
183.17453	33.6
184.05177	3.4
185.05894	4.8
185.09639	4.4
185.13242	1.5
195.06575	1.5
195.08067	7.6
195.13831	1.8
195.17473	10.1
198.06750	1.7
212.68140	1.4
213.05486	4.6
213.07274	1.9
213.09166	19.4
213.12779	9.1
213.16370	15.1
213.18501	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	214.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.05497	3.0
56.32940	3.3
67.05508	3.5
67.58221	2.7
69.03430	3.2
69.07059	5.6
69.90666	7.8
69.91077	7.2
70.06579	5.6
71.04988	2.8
72.08144	3.9
72.93803	7.0
79.05486	5.1
81.07038	6.4
83.04981	3.0
84.04484	3.9
86.09691	3.0
90.18127	3.0
90.94839	3.5
91.05463	3.1
93.07042	3.7
95.04952	4.8
98.97588	4.1
99.04464	4.8
105.07031	3.4
107.04943	3.9
119.08562	3.1
120.42352	2.6
121.06496	3.3
124.07536	3.2
126.03109	6.9
132.95836	9.5
133.10378	2.8
136.07570	3.5
141.00070	6.6
141.05461	30.8
145.06360	2.9
146.04375	6.3
149.96149	7.2
150.05508	10.6
150.96928	14.6
158.02687	3.5
166.05894	3.4
167.97200	3.5
168.10153	4.3
169.04976	100.0
171.33171	3.0
178.05005	8.7
186.05528	3.9
188.49744	2.8
191.97145	5.2
196.06084	5.2
196.13432	3.0
209.98341	4.7
213.60963	6.2
214.10782	9.8
214.16075	3.9
215.06979	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	215.0915
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
53.03949	3.0
54.53485	2.0
55.01877	8.8
55.05513	3.1
56.96569	2.3
57.03446	3.2
58.71710	2.0
58.75369	1.8
63.29057	1.6
67.05497	11.7
69.03442	3.2
69.48444	1.5
70.73700	4.8
71.01348	7.9
77.03911	2.5
79.05018	2.4
79.05494	66.8
81.03431	6.1
81.07057	100.0
81.16080	1.9
83.01346	11.6
83.04990	6.8
85.02910	9.1
91.05487	19.7
93.07040	28.2
93.07565	2.5
95.05001	10.3
95.08614	27.3
98.20777	1.8
98.97615	3.8
103.05474	9.1
105.07034	81.8
105.21813	1.6
107.04967	10.0
107.08587	15.2
109.02885	4.9
109.06522	43.9
111.04451	11.3
115.05469	9.8
117.07021	6.7
119.04971	1.7
121.06506	32.0
123.08066	33.2
125.06028	2.2
127.07587	4.4
132.95834	8.0
133.06488	62.7
133.07469	3.7
135.04437	7.7
135.08043	15.5
135.73462	1.9
139.07538	4.7
149.04794	3.4
149.05988	69.0
150.96939	5.6
151.07555	42.7
153.09111	36.9
161.05992	41.8
169.08606	15.9
177.74069	2.0
179.07042	90.4
191.97173	4.3
197.06276	3.2
197.08096	59.9
215.09183	3.4
231.64084	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0916
Annotation	Morindacin
Peak:m/z	Relative Intensity
53.03935	5.0
54.27882	1.7
54.28208	1.8
54.40687	1.6
55.01865	7.3
55.05508	3.2
57.03425	1.8
58.86555	1.8
67.05503	10.6
69.25317	8.2
69.25742	7.3
71.01346	8.2
77.03928	1.9
79.05502	77.3
81.03405	6.7
81.07065	98.0
83.01381	8.4
83.04966	5.1
85.02908	9.8
91.05485	21.9
91.70151	1.7
93.06499	2.1
93.07058	24.0
94.24133	1.8
95.04964	8.1
95.08611	24.2
98.20769	3.8
103.05476	10.6
105.07043	80.5
107.04943	7.2
107.08616	17.2
109.02898	4.8
109.06529	42.4
111.04440	8.2
115.05432	6.8
117.07050	8.8
121.06514	25.1
123.04427	4.0
123.08085	29.4
125.06012	2.9
127.07536	4.5
130.33203	1.8
131.04884	3.2
132.95856	3.9
133.06502	54.8
135.04405	5.4
135.08057	18.1
139.07541	3.7
139.78954	1.6
149.04790	4.2
149.05991	75.2
150.96927	2.8
151.07552	41.3
153.09120	40.3
161.04646	3.1
161.05978	40.6
167.06990	2.2
169.08597	14.9
179.07054	100.0
191.97185	1.8
197.08119	67.9
215.09081	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	215.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.6
55.05513	31.1
56.65792	2.1
57.02276	2.3
57.03441	4.8
57.07065	2.9
67.05509	33.1
69.07079	27.0
71.04998	13.5
73.06570	3.5
74.09721	4.3
79.05504	17.3
81.06593	4.5
81.07063	77.6
83.04984	6.7
83.08631	22.9
85.06548	20.4
91.05489	23.7
93.07037	24.7
95.04929	2.6
95.08612	100.0
97.06532	19.8
97.10172	8.1
99.08074	9.8
105.07040	29.4
107.08600	10.0
109.06490	4.6
109.10181	9.0
111.08075	4.4
112.14360	1.8
117.07027	7.1
119.08595	43.1
121.10143	15.2
123.08061	8.1
127.11217	4.8
131.04906	2.4
131.08607	3.7
133.10139	31.7
135.11705	18.4
135.70538	2.6
137.09634	2.7
137.13257	16.1
139.01535	5.0
141.06972	4.7
144.09276	2.6
145.10095	4.7
155.06125	2.7
159.08087	6.8
159.11685	6.5
161.13266	70.0
169.06459	3.1
169.10170	4.4
173.02383	7.3
173.05893	2.6
173.09647	8.0
173.13255	2.9
179.14326	36.2
184.57555	2.3
186.06818	3.0
187.07472	4.6
187.11252	4.7
197.15367	16.1
215.06908	9.8
215.08774	5.4
215.10674	32.5
215.14319	9.3
215.17957	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	215.1642
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
52.01873	0.7
53.03933	1.2
53.48459	0.8
55.01854	3.2
55.05512	26.1
57.03437	5.2
57.07069	1.7
64.06275	0.9
67.05507	32.6
69.03435	1.0
69.07072	27.0
69.32911	7.2
71.04665	1.2
71.04997	14.5
72.89486	0.9
73.06549	1.4
74.09701	1.6
79.05071	1.1
79.05499	15.3
81.07061	77.5
83.04995	5.3
83.08618	22.9
85.06551	22.8
91.05482	18.3
93.07044	22.8
95.04967	2.1
95.08611	100.0
96.93040	0.8
97.05932	1.4
97.06529	26.3
97.10170	10.5
98.98470	1.4
99.08112	10.7
101.06025	2.4
101.48164	1.0
101.94829	0.9
105.07040	24.1
107.08605	10.7
109.06512	3.6
109.10156	8.8
109.55635	0.8
111.08090	5.6
113.09629	2.4
115.07554	1.7
117.07027	2.7
119.08589	40.7
121.10140	12.9
123.08079	7.9
127.07561	2.0
131.08566	2.4
133.10139	30.0
135.11697	19.6
137.09618	4.0
137.13254	19.1
139.01540	1.7
141.09067	2.3
145.10086	1.4
147.08096	0.8
150.96942	0.8
159.11681	2.1
161.13264	87.2
162.13760	0.9
173.05978	1.3
179.14316	47.5
197.15367	23.3
199.20667	0.9
215.06966	1.6
215.10693	6.6
215.16185	1.2
215.17982	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0861
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
55.01875	4.4
55.05510	15.1
55.53343	0.8
59.04999	2.3
67.05498	3.1
69.03460	1.1
69.07054	1.3
70.68056	1.8
73.02930	1.2
79.05497	1.6
81.07079	1.7
83.04493	1.9
83.04988	33.1
83.08624	0.9
85.06538	1.4
85.67180	0.7
87.04479	2.2
89.02393	3.0
89.06049	5.5
91.05524	1.7
92.74146	0.9
93.07042	1.9
95.04983	1.3
95.08568	0.9
99.04456	1.9
101.06026	12.3
103.05466	1.3
105.07042	3.9
107.04936	1.2
107.08614	2.2
111.04448	51.1
113.06012	2.9
115.05466	3.1
117.07036	2.8
119.08646	2.0
121.10233	1.0
124.73971	0.9
127.07582	3.8
128.06232	21.1
129.05589	9.1
129.07013	67.4
130.07823	1.1
131.04929	7.6
131.08589	6.9
133.10129	2.5
137.05994	1.3
139.05475	1.0
141.07037	2.0
142.07840	1.0
143.08545	5.5
144.05710	13.7
145.06505	6.7
146.07275	6.4
155.07048	55.6
156.05717	11.2
157.06496	41.6
157.10043	2.0
158.07288	11.6
159.04436	6.1
159.08083	1.0
159.11784	1.7
160.05217	2.5
161.06097	1.1
161.09648	4.4
165.21465	0.9
171.08029	4.3
172.05212	17.8
173.05978	4.9
173.08109	41.7
173.13197	1.2
174.06776	75.2
175.07576	4.9
184.05255	3.1
185.05992	11.3
187.07555	100.0
188.08296	2.8
189.09117	91.0
198.16875	0.9
199.07584	10.5
199.09692	4.7
199.11348	0.9
199.14731	1.6
202.06279	5.1
217.08630	88.1
217.10736	38.7
217.15811	6.2
217.21317	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.086
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
55.01864	4.1
55.05514	9.9
56.42162	0.6
56.64545	0.6
59.04996	0.8
63.02351	0.6
67.05482	1.5
69.03434	0.9
71.48450	1.1
73.02885	1.1
79.05467	0.8
81.07022	1.4
83.04980	14.8
85.06532	0.8
87.04464	1.0
89.02383	0.8
89.06036	3.4
91.05479	2.4
92.22189	0.7
93.07041	1.9
95.04956	1.4
95.08603	1.9
95.11639	0.7
99.04525	0.8
101.06017	7.6
103.05450	1.6
105.07023	4.4
107.08583	1.8
109.06497	1.3
109.10121	1.0
109.35937	0.8
111.04441	27.3
111.90087	0.6
113.05986	2.6
115.05447	2.8
116.06242	1.0
117.07008	1.6
119.04929	0.8
119.08587	2.4
121.06513	1.2
121.10132	0.8
127.07555	3.4
128.06223	17.9
129.05603	4.1
129.07005	63.2
130.07773	1.4
131.04948	6.9
131.08582	8.4
132.05708	0.7
133.10159	1.7
135.08080	0.9
137.06001	1.0
139.05365	1.1
141.06961	1.7
142.07793	1.0
143.08586	5.4
144.05711	12.8
145.06491	5.2
146.07277	8.6
155.04932	1.3
155.07050	23.5
156.05688	7.2
157.06491	39.1
157.10103	2.7
158.07265	10.7
159.04416	5.7
159.08057	3.2
159.11673	2.6
160.05225	1.7
161.06012	1.3
161.09616	6.8
168.05695	0.9
171.08046	5.0
171.11664	1.6
172.05203	21.9
172.57225	0.7
173.06006	4.9
173.08102	23.4
173.13300	1.2
174.06769	67.8
175.07553	4.9
184.05249	2.3
185.05966	9.7
187.07545	100.0
188.08171	1.8
189.09105	83.4
199.07545	9.7
199.09602	2.5
199.14792	2.0
201.05472	1.5
202.06302	4.2
217.08601	72.7
217.10704	18.7
217.15791	7.5
218.09016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1953
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03947	1.6
53.09827	1.3
55.01869	3.3
55.05515	40.9
57.03429	1.6
57.07068	2.5
59.04997	3.1
63.03772	1.4
67.05503	17.9
69.03400	2.1
69.07069	14.1
71.52848	2.2
71.57228	1.5
78.84974	1.4
79.01559	1.6
79.05507	7.5
81.07057	24.9
83.04498	2.7
83.04983	51.8
83.08623	7.9
85.06515	2.6
87.04451	4.0
89.02373	4.0
89.06037	12.7
91.05482	8.7
93.07050	13.6
95.08616	35.3
97.10146	3.9
98.98515	1.7
99.04462	3.2
100.07614	1.7
101.06024	26.9
101.56814	1.5
105.06404	2.4
105.07037	31.3
107.08601	25.2
109.10159	36.9
110.83855	1.4
111.04449	89.8
113.06020	8.9
119.07812	2.7
119.08595	33.0
121.10146	23.0
121.13495	1.4
123.11709	16.5
127.07535	7.8
128.06224	1.9
129.05496	17.3
129.06999	5.8
131.08560	3.6
133.10143	25.2
135.11725	7.8
137.05974	1.8
137.13304	2.4
139.01588	2.7
147.08092	4.1
147.11700	27.5
149.13318	2.0
155.07040	100.0
157.06502	5.8
157.10139	3.1
158.07277	2.2
161.09589	3.5
161.13280	37.9
171.08122	1.4
173.08107	82.6
174.06778	6.7
175.11102	3.0
175.14778	8.1
185.05905	1.8
186.06857	1.9
187.07555	5.0
189.09106	6.8
189.16356	6.0
197.83766	1.8
199.07959	2.2
199.09665	8.6
199.11348	2.3
217.05022	5.2
217.08643	11.1
217.10663	75.6
217.16003	36.6
217.19513	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
50.87838	1.6
53.76186	1.7
55.01865	2.2
55.05516	21.6
67.05502	17.2
69.07081	11.4
71.53146	2.9
79.05472	6.7
81.07058	21.8
83.04991	21.1
83.08603	5.7
89.02399	2.5
89.06023	6.4
91.05479	11.5
93.07045	20.0
95.08067	3.1
95.08617	42.3
96.82645	1.7
97.10175	3.5
98.27181	1.7
100.07604	2.8
101.06016	11.1
105.07037	31.3
107.08604	26.4
109.10165	36.3
111.04451	35.3
119.07829	2.5
119.08595	30.8
121.10145	25.7
123.11705	12.5
127.07522	3.5
127.09502	2.1
129.05487	8.4
129.07037	4.0
133.10132	29.1
135.11681	8.6
145.10101	3.7
147.11703	45.9
148.94545	1.9
155.07031	44.2
157.06497	2.5
157.10146	2.9
159.11713	3.8
159.38530	2.2
161.13251	30.9
173.08102	36.9
174.06763	3.3
175.14841	8.9
187.07457	3.0
189.09178	3.4
189.16344	6.3
197.04770	2.1
217.04883	2.2
217.08601	5.9
217.10626	40.2
217.12543	3.2
217.15970	4.9
217.19516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09336	27.5
69.68545	100.0
69.68958	80.1
82.99791	32.5
87.80722	30.2
98.97607	32.9
120.22146	30.8
206.80530	29.1
219.02690	68.8
224.85466	34.1
224.90372	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.9
55.05526	0.8
61.02651	1.3
61.02932	17.3
69.38245	1.8
69.38647	4.6
71.01357	33.2
75.04485	43.9
81.07081	0.9
84.99239	0.8
85.02885	0.9
87.04469	16.1
89.02386	7.4
93.47987	0.7
98.97595	3.8
101.05982	1.0
103.03950	60.2
116.98659	1.6
129.06996	1.0
131.03415	14.4
131.08591	1.1
137.05965	1.0
145.10135	1.2
146.06044	1.5
159.02902	100.0
166.30113	0.8
173.05962	1.9
187.02397	9.3
189.09293	0.8
203.14334	3.3
209.81047	0.8
219.04947	13.6
219.10144	2.3
219.17471	12.7
228.08374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05492	4.0
58.55855	1.1
67.05502	3.5
69.07067	2.3
69.37082	9.0
69.80088	1.1
73.58614	1.0
79.05488	1.9
81.07073	8.5
81.80799	1.0
86.01648	1.3
91.05486	9.4
93.07038	5.5
95.04984	1.5
95.08607	5.5
97.06506	1.6
103.05441	2.8
105.07024	11.4
107.04948	1.1
107.08622	5.0
109.10131	3.9
111.08065	1.5
115.05457	8.1
116.06218	3.9
117.07016	3.4
119.08598	8.0
121.10111	5.8
123.08083	1.2
128.06247	6.0
129.07019	30.0
130.07765	2.2
131.04950	5.4
131.08578	34.1
133.10143	8.3
135.11690	2.8
137.05974	3.9
137.54761	1.1
141.06995	25.7
143.04924	1.4
143.08545	3.1
144.05711	3.4
144.09383	1.5
145.06480	4.8
145.10155	6.7
146.07301	2.7
147.11682	3.0
148.05098	1.4
149.05939	1.1
157.06476	17.6
158.07286	17.6
159.04372	2.7
159.08061	19.2
159.11699	6.6
160.05191	3.0
161.05939	1.3
161.09630	3.7
161.13242	6.0
162.61163	1.0
163.07549	2.2
163.11119	2.0
169.06494	10.6
170.07291	6.9
171.08070	1.2
173.05957	3.8
173.09630	1.1
173.13206	2.9
174.06772	54.4
175.07536	7.4
177.12749	1.4
182.38701	1.2
186.06755	15.4
187.07484	2.5
188.08365	2.2
189.09114	75.6
191.07036	1.4
191.10677	7.1
201.05473	1.5
201.09120	35.8
201.16357	7.4
203.14394	2.0
219.10170	100.0
219.17436	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03430	1.3
57.07047	0.9
58.07396	0.8
61.02248	0.7
67.05481	1.6
69.31783	1.5
69.32194	4.4
69.43120	0.7
70.06580	1.3
71.08615	0.9
81.07042	1.6
88.07613	2.2
91.05484	8.8
92.99190	1.0
93.07047	1.2
95.08594	1.5
103.05468	2.7
105.07009	2.8
106.08699	1.7
107.08561	1.5
109.10170	0.8
110.12852	0.7
111.00917	0.6
115.05443	8.1
116.06241	1.9
117.06987	2.4
119.08561	1.7
123.07964	0.7
124.97926	0.8
128.06219	7.1
129.07007	34.6
130.07785	2.7
131.04926	5.2
131.08565	31.7
131.09386	0.5
133.10092	1.4
137.05977	3.1
141.06990	30.7
143.04919	1.3
143.08557	1.9
144.05667	3.4
145.06517	5.6
145.10100	2.0
146.07272	5.0
147.04385	0.7
148.05212	1.2
153.07092	1.1
155.06053	1.3
157.06485	17.4
158.07278	17.7
159.04440	2.6
159.08055	23.3
159.11679	1.5
160.05225	3.9
161.09575	3.5
162.06802	1.3
163.07445	1.1
168.05647	1.5
169.06471	12.4
169.07658	1.4
170.07265	6.8
171.04431	0.9
171.08098	0.9
173.05978	4.6
173.09663	1.3
174.06764	62.9
175.07538	8.4
185.05969	1.1
186.06775	13.1
187.07562	1.9
188.08325	3.5
189.09103	78.9
190.09576	0.8
191.07074	1.3
191.10663	6.8
201.09108	35.8
201.16391	1.3
201.20282	1.4
219.10156	100.0
219.17328	3.7
219.21477	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01875	1.5
55.05507	1.5
55.76243	1.0
60.48119	1.0
67.05490	2.7
69.07038	2.0
69.17905	4.3
69.18338	5.2
71.04968	3.1
79.05476	2.4
81.07053	4.9
83.04987	1.7
87.47921	1.0
90.36562	1.0
91.05492	9.9
93.07044	3.5
95.08592	4.0
96.85126	1.0
98.20761	1.7
103.05458	2.0
104.67608	1.0
105.07047	9.5
107.08578	5.6
109.10148	2.0
115.05460	6.0
116.06221	3.0
117.07019	6.3
119.08582	9.0
121.06557	1.3
121.10121	3.0
125.09612	2.5
128.06218	5.5
129.07014	24.2
130.07729	1.2
131.04947	5.6
131.08566	23.1
133.10130	13.5
135.11676	2.3
137.05995	2.7
141.06985	24.3
143.04935	1.4
143.08530	2.2
144.05702	3.3
145.06525	5.3
145.10121	6.1
146.07254	2.9
147.11682	2.3
148.05228	1.3
150.54669	1.1
155.08710	1.3
157.06473	13.0
158.07266	12.8
159.04471	3.1
159.08058	19.7
159.11708	5.9
160.05185	4.1
160.09029	1.1
161.09610	3.6
161.13231	2.8
163.07550	2.2
163.11192	1.1
164.06963	1.4
169.06483	9.2
169.07703	1.3
170.07254	3.9
171.04402	1.2
173.05988	4.2
173.09636	3.1
173.13257	4.1
174.06770	45.0
175.07518	7.6
176.08298	1.1
177.12717	1.1
186.06779	12.5
187.07466	1.8
188.08336	2.6
189.09114	62.5
191.07072	2.4
191.09059	0.9
191.10654	6.2
201.09097	25.3
201.12634	1.2
201.16396	5.4
203.14285	3.1
219.06636	3.0
219.10164	100.0
219.13712	4.0
219.17438	21.0
236.97047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
55.05492	1.9
57.03446	0.8
57.07053	0.7
64.88607	0.6
67.05492	2.9
67.96913	0.6
69.03407	0.8
69.07052	2.5
70.89049	1.4
71.04985	1.9
79.05465	2.6
81.07053	8.9
83.04996	0.9
83.08560	0.7
85.01984	0.6
85.02892	1.3
85.06527	0.8
91.05483	12.2
93.07060	5.3
95.04990	0.9
95.08617	4.4
97.06519	1.8
102.04671	0.6
103.05476	3.3
105.07033	10.3
107.08607	4.5
109.06520	1.3
109.10143	2.5
111.08064	1.3
115.05458	8.5
116.06257	3.1
117.07019	4.7
118.07759	0.7
119.08591	6.6
121.06487	2.5
121.10153	4.8
123.08088	1.6
123.11690	1.1
125.09615	2.3
128.06233	7.0
129.07010	31.1
130.04163	1.3
130.07765	2.2
131.04947	6.4
131.08580	31.5
133.06512	1.0
133.10139	10.7
135.08110	1.3
135.11665	1.6
137.05974	3.2
141.07001	24.9
143.04930	2.2
143.08571	2.3
144.05704	5.7
145.06499	9.3
145.10135	5.8
146.07300	3.6
147.04478	0.9
147.11684	2.5
148.05188	1.2
149.05975	1.2
149.09604	1.8
151.07614	1.0
155.06032	1.6
157.06490	17.7
158.03629	1.7
158.07285	16.9
159.04474	3.4
159.08063	22.8
159.11700	6.1
160.05217	3.8
161.05986	1.2
161.09651	3.3
161.13254	3.4
163.07588	2.2
163.11221	1.2
168.05670	1.2
169.06493	13.4
169.07695	1.5
170.07275	5.8
171.08148	1.1
173.05991	10.7
173.09631	1.1
173.13237	2.4
174.06781	57.6
175.07553	10.5
175.14888	1.1
177.05458	1.7
183.08081	0.7
186.06781	14.6
187.07535	4.7
188.08260	3.3
189.09125	75.7
190.09422	1.0
191.07028	2.0
191.08658	1.1
191.10724	7.2
201.05498	5.4
201.09123	32.7
201.16431	6.0
203.14330	1.6
219.06471	3.9
219.08253	5.3
219.10162	100.0
219.13713	3.5
219.17419	20.0
220.10434	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96320	0.7
55.05498	1.9
60.57444	1.0
62.67908	0.7
67.05486	3.1
69.07050	1.8
69.27441	7.0
69.98901	0.7
71.04979	1.3
72.26054	0.7
79.05477	2.6
81.03409	1.4
81.07069	8.0
85.02900	1.0
91.05482	11.6
93.07050	5.2
95.04964	1.2
95.08611	4.4
97.06512	1.1
102.04697	1.1
102.57350	0.8
103.05441	3.0
105.07039	8.8
107.08600	3.7
109.06470	1.3
109.10140	2.8
115.05465	9.2
116.06200	2.6
117.07000	4.3
119.08581	4.8
121.06461	2.2
121.10124	3.1
123.08079	0.7
123.11723	0.9
125.09620	1.6
128.06233	6.1
129.07013	27.9
130.04169	1.8
130.07756	2.8
131.04913	7.4
131.07600	1.5
131.08575	28.5
132.05685	1.4
133.10138	8.5
135.11703	1.7
137.05975	2.6
140.06248	0.8
141.06999	26.3
143.04932	1.5
143.08600	1.7
144.05717	5.6
145.06494	12.4
145.10124	5.5
146.07257	3.2
147.08017	1.5
147.11667	1.9
149.05925	1.6
151.07524	1.1
157.06496	15.4
157.10129	1.2
158.03616	2.1
158.07291	16.5
159.04387	2.9
159.08060	21.7
159.11690	6.1
160.05267	4.5
160.08774	0.9
161.05898	1.2
161.09625	3.2
161.13249	3.4
163.07535	2.0
163.11177	1.2
168.05592	0.8
169.06487	10.2
169.07693	1.3
170.07262	4.7
173.04631	1.2
173.05989	12.9
173.13251	2.1
174.06770	51.4
175.07570	10.3
175.14822	1.7
177.05453	2.6
186.06767	13.4
187.07503	3.1
188.08307	2.7
189.09122	69.9
190.07730	1.7
190.09337	0.8
191.06970	3.5
191.08549	1.2
191.10718	5.9
201.05489	10.8
201.09108	30.1
201.16391	4.7
203.14240	2.0
210.84053	0.8
219.06473	5.3
219.08173	6.8
219.10150	100.0
219.13744	3.0
219.17426	18.0
220.10451	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
55.05505	7.3
57.03428	1.1
57.07068	2.6
59.04993	1.1
62.15620	0.7
65.03903	0.7
67.05508	8.0
69.07070	23.6
71.05000	5.5
71.13795	0.6
71.45708	0.7
71.52650	0.8
79.05506	4.7
81.07064	11.9
83.04971	1.2
83.08638	3.7
85.06530	2.5
91.05482	4.5
93.07047	12.8
95.01346	1.0
95.04961	3.0
95.08609	23.0
97.06523	1.3
97.10158	2.1
99.08100	0.8
103.05456	2.2
105.07031	21.5
107.08598	18.5
109.06557	3.8
109.10163	19.2
111.08071	2.6
111.11707	0.7
113.09643	1.4
115.05424	1.3
117.07006	3.2
119.08585	18.0
121.06522	3.2
121.09351	0.7
121.10149	16.3
123.08061	2.6
123.11737	5.0
125.09634	2.8
129.07018	1.6
130.07785	2.4
131.04926	3.5
131.08562	6.3
133.10139	10.6
135.08061	4.9
135.11705	13.0
137.09621	9.4
137.13298	3.5
145.06451	0.9
145.09074	1.2
145.10144	17.7
147.11679	5.1
149.09641	7.1
149.13223	3.8
150.10493	0.9
151.07475	0.7
151.11153	1.8
157.06494	1.2
158.07233	0.7
158.10968	1.1
159.04424	1.9
159.08014	1.1
159.11710	8.9
160.08720	0.7
161.09665	0.9
161.13252	11.7
163.11176	14.4
163.14774	0.8
173.06020	0.8
173.13283	2.7
174.06776	2.4
175.14847	6.7
177.12737	3.0
177.16400	1.9
189.09128	4.2
191.07011	0.9
191.10616	1.7
191.17958	9.0
201.09084	1.3
201.16389	17.0
203.14305	4.9
205.58617	0.7
219.06445	3.8
219.10181	2.4
219.17450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
52.69223	2.4
53.03953	3.6
55.05521	13.9
62.29944	3.0
67.05519	18.2
69.03391	4.3
69.07056	13.9
71.02338	4.8
71.02660	2.6
71.04988	9.3
71.95058	2.4
79.05507	22.7
81.06596	5.8
81.07065	100.0
83.08624	5.5
84.92770	2.6
85.06548	4.2
91.05500	17.5
93.07050	32.4
95.04955	6.8
95.08622	25.8
95.98103	2.6
97.06544	7.5
97.10140	3.9
105.07043	35.1
107.08604	25.6
109.06544	14.5
109.10170	20.8
111.08073	8.9
117.06998	5.6
118.06500	3.5
119.08584	27.4
121.06523	3.5
121.10162	24.8
123.08080	12.1
123.11710	6.6
127.07536	2.8
128.06215	2.6
129.07019	13.2
131.04941	3.6
131.08600	22.1
133.10170	20.6
135.08060	7.1
135.11746	12.8
137.09615	9.9
141.06989	12.2
143.08565	4.9
145.06483	4.9
145.10162	30.2
147.11681	10.0
149.09637	5.8
149.13249	7.0
151.11198	6.0
157.06532	8.8
158.07286	3.9
158.10857	3.0
159.04486	3.8
159.08055	8.3
159.11726	31.8
160.05237	3.1
161.13301	22.7
163.11172	13.0
167.81631	2.3
168.86856	2.4
169.06482	3.7
173.13306	11.3
173.88873	2.4
174.06793	22.7
175.07588	5.7
175.14845	9.4
176.14406	6.5
177.12845	3.0
180.62314	2.5
186.06808	7.5
189.09114	26.1
191.17993	3.8
201.05522	3.1
201.09100	16.1
201.16415	40.2
219.08110	9.9
219.10147	57.5
219.14049	3.3
219.17468	87.3
220.16986	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03934	3.4
55.05507	12.9
57.07058	2.1
67.05502	21.8
69.03420	3.4
69.06795	1.4
69.07068	15.2
69.40527	12.4
69.40927	3.1
71.05001	11.1
79.05499	19.1
81.07056	100.0
83.04968	3.0
83.08604	4.1
85.06551	3.0
91.05479	15.1
93.07043	41.1
95.04955	6.6
95.08607	38.9
97.06525	20.0
97.10203	2.5
98.20733	2.5
105.07035	38.3
107.08595	35.8
109.06536	8.9
109.10153	23.5
111.08064	6.8
117.07004	10.4
119.08582	31.5
121.06519	2.3
121.10140	26.9
121.70693	1.5
123.08076	13.9
123.11707	16.2
125.09622	6.9
127.07554	1.6
129.07002	5.3
131.04980	1.7
131.08582	16.2
133.10120	15.4
135.08038	4.3
135.11707	13.7
137.09616	6.3
143.08533	2.4
144.05678	1.7
144.09343	3.3
145.10120	40.6
146.10762	2.0
147.11685	9.8
149.09604	5.8
149.13257	7.4
151.11122	4.2
158.10838	2.3
159.08057	5.0
159.11690	34.6
161.13257	26.2
163.11189	13.8
170.52661	1.5
172.58475	1.6
173.13277	13.0
174.06738	3.3
175.14836	9.1
177.12735	3.9
177.16284	2.3
189.09093	4.8
191.17937	4.5
201.09013	3.0
201.16379	47.8
203.14323	2.3
219.06543	3.3
219.10153	10.0
219.13884	4.0
219.17432	90.7
220.16982	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	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03947	2.2
55.01869	3.2
55.05513	9.1
57.03429	3.1
57.07065	2.9
59.04971	1.6
67.05508	29.2
69.03420	3.1
69.07066	15.5
70.73972	3.5
71.04990	16.6
79.05498	25.5
81.07057	100.0
83.04974	6.3
83.08619	3.4
85.02902	4.5
85.06537	3.4
91.05475	19.8
93.07045	47.9
95.04969	11.7
95.08607	52.2
97.05927	3.2
97.06533	49.2
97.10152	2.9
103.05434	2.5
105.07040	38.6
107.04953	2.2
107.08602	44.5
109.06532	11.2
109.10157	27.2
111.08056	5.8
115.03921	2.1
115.05453	2.8
117.07038	5.1
119.08583	40.5
121.06519	2.5
121.10141	34.4
123.08086	10.1
123.10841	2.4
123.11710	28.7
125.09642	9.9
128.06226	2.3
128.76108	1.8
129.07013	17.9
130.07779	3.9
131.04924	4.8
131.08575	29.3
133.10143	22.0
135.08076	3.6
135.11700	14.4
137.09589	3.4
137.13272	3.7
139.11174	2.1
141.07008	11.9
143.08630	3.5
144.05702	3.0
144.09296	2.6
145.06480	3.5
145.09068	3.1
145.10130	40.1
147.11702	11.2
149.09630	4.4
149.13283	11.0
151.11206	3.2
157.06473	6.6
158.07281	6.5
158.10925	2.1
159.08055	10.2
159.11707	33.7
161.13245	33.1
163.07526	1.7
163.11168	6.3
163.14857	3.5
169.06493	5.2
170.07245	2.1
173.05962	2.6
173.13263	13.3
174.06770	30.5
175.07520	4.6
175.14890	8.9
175.16116	1.5
177.12794	2.1
177.16412	2.5
186.06720	4.0
189.09117	37.3
191.10683	6.1
191.14143	1.7
191.17921	6.5
201.09105	13.8
201.16380	51.4
203.14197	2.2
219.08167	4.3
219.10146	52.3
219.17442	99.5
220.16901	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	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03941	3.4
55.01866	1.0
55.05513	11.7
57.07068	1.8
67.05508	17.8
69.03419	1.6
69.07064	9.5
70.82897	1.0
71.05007	5.2
71.07542	1.2
75.97246	0.8
79.05025	1.1
79.05495	25.9
81.07058	100.0
83.04963	1.9
83.08601	3.5
85.06541	2.5
91.05482	11.4
93.06492	1.5
93.07049	23.0
95.04996	2.5
95.08611	21.0
97.06518	3.5
97.10149	2.6
105.07034	21.1
107.07881	1.4
107.08594	25.5
109.06531	9.3
109.10164	18.9
111.08076	5.0
111.11668	1.0
117.07009	3.6
119.08589	17.4
121.10147	16.9
123.08086	10.5
123.11712	2.4
125.09602	2.2
127.07534	2.0
129.06989	3.0
130.07729	1.5
131.08586	12.7
133.10117	10.7
135.08063	6.3
135.11708	7.3
137.09610	7.8
141.06990	1.5
144.09418	0.9
145.09067	1.4
145.10139	20.8
147.11662	5.4
149.09593	5.8
149.13243	2.8
151.11195	7.1
157.06427	1.1
157.10054	0.9
159.08093	1.0
159.11697	15.9
161.13255	10.7
163.11174	12.7
163.14836	1.0
165.12759	1.0
172.12508	1.2
173.13274	4.5
174.06732	4.2
175.07597	1.0
175.14867	6.5
177.12727	3.8
177.16296	1.2
186.06726	1.0
189.09132	6.7
191.17892	1.3
201.09102	3.4
201.16385	30.8
203.14436	1.0
207.30836	0.9
219.08250	1.7
219.10149	7.3
219.17444	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03938	2.8
55.05514	13.8
57.07062	3.0
58.28424	2.8
67.05508	20.5
69.03426	3.3
69.07071	12.7
69.28819	21.7
70.06623	3.6
71.04990	9.7
79.05499	28.8
80.21228	2.5
81.07067	100.0
83.04962	3.4
83.08634	7.2
84.22989	2.5
88.07639	4.3
89.07986	4.9
91.05515	17.6
93.07058	33.0
95.05013	5.1
95.08616	29.5
97.06516	8.1
97.10193	4.0
105.07042	34.5
106.08665	3.3
107.08598	30.1
109.06540	12.2
109.10182	24.6
111.08098	8.3
115.05419	3.4
117.07047	8.6
119.08584	36.5
121.10162	19.4
123.08062	12.8
123.11727	5.5
125.09628	5.6
127.07538	3.4
129.07021	8.8
131.08578	19.9
133.10123	24.0
135.08098	7.7
135.11723	10.2
137.09647	9.4
137.43352	2.7
141.06975	6.0
145.10138	30.4
147.11713	11.1
149.09647	7.3
149.13330	4.7
151.11180	6.8
157.06483	6.7
158.07300	6.5
159.08034	4.9
159.11717	27.4
161.13248	17.1
163.11201	14.4
169.06480	2.9
173.13310	7.7
174.06754	13.6
175.14865	7.7
177.12762	5.7
177.16373	3.6
189.09160	21.8
191.17957	3.1
201.05379	3.2
201.09142	6.1
201.16397	40.4
203.14311	3.3
219.10150	25.4
219.17477	82.6
219.21492	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
50.13732	1.4
53.03942	3.4
54.69324	1.6
55.01888	1.4
55.05513	9.8
57.07082	2.0
67.05500	20.2
69.03411	3.6
69.07068	12.3
69.19332	5.2
69.19753	9.0
71.04994	7.8
79.05078	1.8
79.05495	23.2
81.07058	84.0
83.04972	2.6
83.08603	3.0
85.06538	2.4
91.05482	15.7
93.06483	2.9
93.07040	40.3
95.04950	4.9
95.08608	50.4
97.06538	23.3
97.10135	1.9
105.07035	47.1
107.08593	39.9
109.06516	6.5
109.10162	24.1
111.08073	6.1
114.00200	1.4
115.05444	2.3
117.06989	7.2
119.08579	32.6
121.06478	3.6
121.10149	23.5
123.08073	7.5
123.11684	15.1
125.09611	8.5
127.43650	1.4
129.07004	5.5
130.07764	3.7
131.08569	21.3
133.10143	21.0
135.08087	2.5
135.11693	18.9
137.09621	1.5
139.11162	1.7
141.06982	2.9
143.08531	2.1
144.09378	2.1
145.10132	47.7
147.11708	8.9
149.09598	2.8
149.13228	9.2
151.11208	3.8
157.06464	3.0
158.07295	3.3
159.08116	3.1
159.11696	34.6
161.13248	34.4
163.11182	9.6
163.14879	1.8
173.13249	14.7
174.06781	7.7
174.93315	1.5
175.07594	1.5
175.14821	8.9
177.12767	3.7
189.09137	10.1
191.10583	2.6
191.14368	1.8
191.17937	6.2
201.09158	3.7
201.16385	62.3
219.10143	14.8
219.17441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03937	2.5
55.05506	15.1
58.04027	1.4
59.16082	1.3
67.05508	20.6
69.03434	1.8
69.07062	13.3
70.82645	2.6
71.05002	6.8
79.05494	24.3
81.07059	100.0
83.04978	1.6
83.08621	5.5
85.06532	3.8
91.05471	14.8
93.07045	31.6
95.04958	4.2
95.08609	28.2
97.06525	5.1
97.10158	3.0
105.07039	33.8
107.07886	2.1
107.08595	35.5
107.11858	1.3
109.06522	14.3
109.10158	24.7
111.08071	6.5
115.05460	2.0
117.07008	5.4
119.08578	27.3
121.06558	1.7
121.10157	22.3
123.08070	15.6
123.11691	3.5
125.09621	2.9
127.07544	2.9
129.06984	3.3
130.07797	2.0
131.08577	19.6
133.10130	15.2
135.08057	7.2
135.11705	13.7
137.09641	9.9
144.09315	1.9
145.10115	27.1
147.11670	7.1
149.09608	5.8
149.13248	4.7
151.11172	6.8
157.06458	2.0
157.10129	2.3
158.07260	3.3
159.04440	2.8
159.08089	1.8
159.11697	32.2
161.13252	21.1
163.11198	15.3
165.12744	1.8
173.13228	7.8
174.06769	9.7
175.14792	6.8
177.12730	5.9
189.09148	13.6
191.10609	2.5
191.17929	4.5
201.09134	7.9
201.16386	46.4
219.08234	2.5
219.10095	8.4
219.17445	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01870	1.0
55.05484	1.3
56.96558	1.7
57.03426	0.8
57.07082	6.0
59.05005	4.4
61.02923	1.2
67.05503	6.5
69.07073	3.9
70.02955	7.1
71.01347	1.1
71.05468	1.1
71.05794	1.1
72.04157	1.1
72.04523	15.0
72.08168	1.3
73.02924	4.0
74.02426	1.4
75.04464	1.2
76.04800	1.1
76.63282	0.7
77.05009	0.7
79.05499	1.1
81.07046	1.1
83.04984	1.8
83.31912	0.9
85.06548	10.8
87.04483	1.5
87.08092	2.3
90.05563	100.0
95.04970	6.9
96.08105	2.4
98.01847	1.1
98.02427	16.4
98.09718	1.2
98.97602	0.9
100.03962	3.0
103.03922	2.4
103.07594	8.9
104.04323	1.2
109.06527	0.9
113.05994	3.5
116.03462	13.0
124.06735	1.2
124.07603	16.7
128.04941	2.7
131.07063	1.1
132.04485	0.9
137.05971	1.1
142.08670	7.0
144.10219	1.7
146.06018	21.3
156.10152	1.1
158.11763	2.7
159.02888	1.7
160.03236	4.3
160.09714	2.5
164.07108	1.4
166.08626	1.6
173.06046	0.9
174.05478	8.2
174.11258	2.3
184.08177	1.5
184.09715	21.8
196.54707	1.5
202.10764	33.2
203.11021	0.7
205.15904	2.1
215.02367	1.1
220.05933	1.1
220.09746	4.9
220.11800	48.1
220.17781	3.1
236.82431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
54.49638	0.6
55.01878	1.9
55.05510	1.6
56.01403	0.6
56.96570	1.0
57.03464	0.7
57.07077	6.9
58.06600	0.6
59.05009	4.4
61.02925	2.4
62.03262	1.3
67.05513	5.5
69.07053	4.1
70.02957	7.5
71.01352	3.8
71.51810	1.0
72.01672	2.0
72.04521	15.3
72.08138	1.4
72.26360	0.7
73.02919	4.7
74.02444	1.7
75.04491	5.3
76.04799	3.5
77.03884	0.7
79.05482	0.9
81.07091	1.4
83.04991	1.5
84.04511	1.0
84.08126	1.2
85.06546	11.2
86.09695	1.2
87.04472	1.8
87.08092	2.1
88.04812	1.2
89.02377	1.2
90.05559	100.0
92.05840	0.9
94.06546	1.0
95.04979	7.6
96.08142	2.7
98.02422	17.5
98.97585	1.0
99.08154	0.7
100.03990	2.1
103.03953	5.4
103.07574	7.6
104.04278	5.7
105.06976	1.1
112.07593	0.7
113.06046	3.4
115.05468	0.7
116.03450	14.4
116.98626	0.7
118.06542	1.8
119.07333	0.8
120.08104	0.9
121.06448	1.0
122.06783	0.8
124.06725	1.3
124.07597	20.4
124.08494	1.3
128.04959	12.6
130.06526	6.1
131.03439	0.7
131.06985	1.2
132.04489	8.3
136.06078	0.7
137.05949	1.9
142.08647	9.0
146.06013	91.6
147.06363	3.4
148.07539	0.8
156.10187	1.4
157.07597	2.2
158.06018	6.4
158.11786	1.5
159.02864	3.6
160.03230	15.2
160.04559	0.5
160.09680	2.3
164.07141	3.0
164.10718	0.8
166.08633	2.4
174.05504	30.7
174.11241	2.7
175.07318	1.1
175.08696	8.4
179.06941	1.1
184.09702	21.9
188.02684	1.8
192.06534	1.2
197.09451	0.9
202.10774	30.5
204.14589	1.2
205.15868	6.4
215.02232	0.9
219.62321	1.6
220.02525	1.5
220.05751	2.4
220.09735	7.1
220.11783	40.3
220.17780	7.5
221.09081	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01867	1.6
55.05490	2.4
57.07063	1.4
58.06581	2.0
62.95992	0.7
65.03921	0.8
66.12171	0.7
67.05506	5.2
67.43656	0.7
69.03450	1.7
69.07079	1.3
71.04974	1.2
72.08155	5.1
73.02901	1.1
77.14967	0.7
79.05490	2.1
81.07046	3.6
83.04936	0.9
83.08646	0.9
84.08148	6.8
85.06538	1.1
91.05480	9.1
93.07035	2.4
95.04996	3.5
95.05506	0.7
95.08600	2.8
97.02826	0.7
98.09682	1.0
103.05457	6.1
105.07037	7.5
107.04956	2.4
107.08588	2.3
109.06550	1.2
109.10126	2.1
111.08092	1.3
115.05462	2.2
117.07044	3.7
118.06533	2.7
119.04883	0.9
119.07329	1.3
119.08564	3.4
120.08118	8.9
121.06493	2.6
121.10134	1.6
123.08125	1.1
128.06264	1.5
129.06995	2.6
130.06505	1.1
131.04942	3.7
131.08543	1.2
132.05568	0.8
133.06491	4.7
133.10100	2.3
135.08055	1.4
137.05968	2.2
137.09642	1.1
138.09113	1.0
143.04910	2.9
143.08534	0.9
145.06487	1.3
145.10109	1.0
146.06038	0.7
147.04431	2.8
147.08043	1.9
147.11682	1.9
149.06015	1.3
150.09129	3.1
157.06503	1.8
157.10149	1.4
160.05235	1.8
161.05998	5.7
161.09612	1.8
162.06720	1.3
163.07538	2.2
164.07072	19.9
165.07266	1.9
165.09058	1.2
166.09421	0.8
175.07549	6.5
175.11238	2.3
177.09106	23.7
182.82321	0.7
189.05299	9.0
189.09702	1.9
189.59943	0.8
191.07129	1.5
193.08562	1.5
197.59428	1.1
197.61055	2.4
198.11201	0.8
203.07021	6.5
203.10756	1.9
203.18187	0.8
204.06575	3.4
220.59752	2.6
220.61478	10.8
221.07864	100.0
221.11533	4.8
221.15431	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	221.0921
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
51.02392	0.6
55.01869	0.5
57.07048	1.2
58.06577	1.6
67.05492	1.2
69.03433	0.7
69.07052	0.7
69.46124	0.4
69.99541	1.1
69.99942	1.4
71.04971	1.1
72.08156	4.1
76.82486	0.4
79.05468	1.3
81.07056	2.3
82.02925	1.8
83.08604	0.5
84.08102	0.5
85.02846	0.6
87.14096	0.4
91.05466	2.1
93.07008	1.6
93.82723	0.4
94.06578	3.5
95.04940	0.8
95.08592	0.8
97.02861	0.5
98.20861	0.9
98.97516	0.6
103.05435	0.9
105.07011	1.7
107.04956	0.6
107.08562	0.6
109.10136	2.2
111.08059	1.4
115.05421	1.6
117.06989	1.7
118.06551	2.1
119.08575	1.0
120.08168	0.8
121.06493	1.1
121.10149	1.1
123.08006	0.5
123.11680	0.5
129.07013	1.3
130.06534	45.2
131.04907	1.3
131.06830	0.9
132.04463	32.9
133.06503	1.5
133.10135	0.9
135.08029	1.0
137.05966	1.0
137.09601	1.2
143.01892	1.1
143.04913	0.6
145.06499	0.5
146.06006	0.6
147.04417	0.7
147.06342	1.0
147.08052	1.1
147.09177	0.8
148.07542	1.1
150.09134	2.0
157.06544	1.1
157.07625	21.1
157.12300	0.6
158.06021	66.2
159.06396	0.7
160.05171	0.6
161.03006	0.8
161.06012	3.3
164.07065	2.5
165.07458	0.9
165.09094	0.8
171.04375	0.5
175.08690	100.0
176.07077	2.3
177.05432	0.5
177.09155	1.0
179.07018	0.9
183.54448	0.5
185.06049	0.5
186.05548	1.9
190.08817	0.5
191.07138	0.6
193.15979	0.8
197.59601	1.6
198.09958	0.5
203.06805	4.2
203.17967	0.5
204.06506	4.0
220.59854	11.5
221.04594	1.4
221.09274	30.5
221.12883	1.4
221.15259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01860	0.7
55.05505	0.7
56.96558	0.3
57.03425	0.7
57.07059	0.7
58.06578	0.7
64.99578	0.2
67.05506	1.7
69.03409	0.8
69.07053	1.0
70.06586	0.4
71.04984	0.6
71.52010	0.3
72.08163	2.3
73.02905	0.9
77.03918	0.3
79.05505	1.5
81.03391	0.3
81.07072	1.7
83.04961	0.3
83.08607	0.6
84.08131	0.6
85.02897	0.7
85.06529	0.3
87.04471	0.6
91.05483	2.6
93.07046	2.4
95.04964	0.9
95.08605	1.4
97.02871	0.5
97.06535	0.4
98.09671	0.6
98.97562	0.7
99.73843	0.2
103.05470	0.7
105.07031	3.4
107.04958	0.6
107.08611	1.7
109.06507	1.1
109.10159	1.3
109.68256	0.2
111.08072	0.7
115.05447	2.1
116.06232	0.6
116.07059	0.3
117.06237	0.4
117.07028	5.6
119.04940	1.4
119.08595	2.7
120.08104	0.5
121.06498	1.4
121.10172	0.6
123.04413	0.3
123.08013	0.7
123.11701	0.3
128.06233	1.2
129.07007	1.4
130.06505	1.0
131.04907	1.0
131.08560	0.9
132.04483	0.3
132.05653	0.3
133.06494	2.3
133.10135	1.8
134.07254	0.9
135.08078	1.4
135.11673	1.7
137.05978	1.0
137.09621	0.8
142.07747	0.4
143.04910	0.9
143.08556	1.7
144.05705	0.8
145.06516	1.8
145.10150	0.5
147.04401	1.9
147.08043	1.7
147.11716	1.6
149.06023	0.4
150.09131	1.1
151.07478	0.5
157.06462	0.8
157.10161	0.8
158.06032	0.6
158.99641	0.3
159.11688	0.4
160.05231	1.2
160.08803	0.4
161.05978	3.8
161.09650	1.7
161.13277	0.5
162.06776	4.8
163.07533	1.1
163.11136	0.3
164.07097	2.4
165.07156	0.4
165.09114	0.7
171.08063	1.0
173.05916	0.4
173.13312	0.4
175.04068	0.3
175.07527	6.3
175.11166	3.5
175.14827	0.6
176.06992	0.3
177.09113	100.0
178.09473	0.3
179.10686	0.5
179.14293	0.5
185.09587	0.3
185.13354	0.4
188.08363	0.3
189.05498	0.6
191.07050	0.8
193.08568	0.6
193.15891	0.7
203.07045	3.2
203.10628	2.4
203.14264	1.1
206.16219	0.4
220.62914	0.6
221.04478	0.8
221.07976	3.3
221.11795	2.2
221.13249	0.3
221.15248	4.5
221.18573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.2
59.87926	0.1
67.05515	0.3
69.07064	0.2
69.56951	0.7
78.86791	0.1
79.05505	0.4
81.07079	0.5
85.06550	0.2
91.05451	0.8
93.07056	0.3
95.08619	0.5
103.05486	0.2
105.07050	0.5
106.71829	0.1
107.04965	0.2
107.08604	0.3
109.10166	0.4
115.05446	1.0
116.06255	0.4
117.07023	3.8
118.06548	0.1
119.04919	0.3
119.06880	0.2
119.08600	0.5
121.06503	0.4
121.10149	0.2
123.11662	0.2
128.06235	1.3
129.07008	0.2
131.05011	0.1
131.08601	0.2
133.06470	0.8
133.10126	0.3
134.07266	0.7
135.08083	0.7
135.11700	0.3
137.06058	0.1
143.04877	0.1
143.08560	1.0
144.05739	0.5
145.06505	0.9
147.04440	0.2
147.08028	0.3
147.11702	0.4
149.09641	0.3
151.03853	0.2
159.08063	0.1
160.05243	0.3
161.05962	0.3
161.09654	0.2
161.13243	0.2
162.06766	4.7
165.07002	0.2
171.08061	0.9
175.07559	2.4
175.11171	0.3
176.14333	0.2
177.09108	100.0
178.08020	0.2
178.09473	0.8
188.08427	0.2
202.07668	0.1
203.10664	0.7
203.18037	0.2
205.75478	0.1
221.06009	0.2
221.07829	0.3
221.09650	0.3
221.11423	0.7
221.15396	0.4
221.17284	4.9
221.18846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.01868	0.5
55.05279	0.3
55.05515	3.9
55.62013	0.2
57.07061	0.9
58.06602	0.4
59.04990	0.5
65.03927	0.5
67.05509	2.5
69.03420	0.7
69.06723	0.4
69.07071	4.0
69.43957	1.3
71.05003	1.7
71.31059	0.2
72.08146	0.8
72.24604	0.2
73.06548	0.3
79.05498	3.3
81.03403	0.2
81.07059	12.8
83.04971	0.5
83.08619	1.3
84.73729	0.2
85.02891	0.3
85.06540	0.7
90.63981	0.2
91.05479	3.4
93.06490	0.3
93.07049	5.0
95.04971	0.7
95.08616	6.0
97.06527	0.7
97.10153	0.5
98.20770	0.5
99.08105	0.5
102.38582	0.3
103.05460	0.8
104.32246	0.2
105.07040	7.1
107.04961	0.3
107.07888	0.4
107.08604	6.4
109.06498	0.9
109.10157	4.4
111.08077	1.0
111.11720	0.7
115.05459	2.0
116.06245	0.3
117.07014	4.7
119.04929	0.5
119.08588	7.2
121.02904	0.3
121.06493	1.0
121.10141	3.2
123.04380	0.4
123.08075	0.6
123.11684	2.7
125.09608	0.7
127.11200	0.5
128.06213	1.3
129.07005	0.6
131.04942	0.9
131.08568	0.6
132.05716	0.3
133.06526	1.5
133.10138	3.3
134.07268	0.8
135.08052	1.1
135.10709	0.4
135.11694	5.3
137.05980	0.8
137.09622	0.7
139.07721	0.2
139.11201	0.4
142.07722	0.6
143.04945	0.4
143.08580	1.3
145.06519	1.3
145.10139	0.7
147.04385	0.5
147.08041	1.1
147.11700	3.8
149.02348	9.7
149.05923	0.3
149.13284	1.3
150.09140	0.6
151.03964	0.5
151.07478	0.3
151.11229	0.6
157.10115	0.7
159.08134	0.3
159.11716	0.5
160.05214	1.1
161.05988	2.0
161.09605	1.0
161.13287	2.3
162.06763	5.1
162.08113	0.3
163.07510	0.6
163.11154	0.3
163.14816	1.0
164.07117	0.5
165.06978	0.5
165.09143	0.5
165.12787	0.6
167.03391	0.3
171.08023	0.7
174.06920	0.2
175.07558	4.2
175.11234	0.7
175.14865	1.8
177.09114	100.0
178.07748	0.7
178.09523	0.7
179.07068	0.5
179.10706	0.3
185.09703	0.3
185.13210	0.4
188.08382	0.3
189.05527	0.5
191.07101	0.3
193.05005	0.3
193.06619	0.4
193.08553	0.6
203.07040	1.0
203.10683	2.8
203.14346	0.8
203.17999	4.3
221.04352	0.5
221.06044	0.6
221.07819	2.1
221.09836	0.5
221.11734	1.5
221.15337	2.4
221.19037	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	221.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.01868	0.5
55.05279	0.3
55.05515	3.9
55.62013	0.2
57.07061	0.9
58.06602	0.4
59.04990	0.5
65.03927	0.5
67.05509	2.5
69.03420	0.7
69.06723	0.4
69.07071	4.0
69.43957	1.3
71.05003	1.7
71.31059	0.2
72.08146	0.8
72.24604	0.2
73.06548	0.3
79.05498	3.3
81.03403	0.2
81.07059	12.8
83.04971	0.5
83.08619	1.3
84.73729	0.2
85.02891	0.3
85.06540	0.7
90.63981	0.2
91.05479	3.4
93.06490	0.3
93.07049	5.0
95.04971	0.7
95.08616	6.0
97.06527	0.7
97.10153	0.5
98.20770	0.5
99.08105	0.5
102.38582	0.3
103.05460	0.8
104.32246	0.2
105.07040	7.1
107.04961	0.3
107.07888	0.4
107.08604	6.4
109.06498	0.9
109.10157	4.4
111.08077	1.0
111.11720	0.7
115.05459	2.0
116.06245	0.3
117.07014	4.7
119.04929	0.5
119.08588	7.2
121.02904	0.3
121.06493	1.0
121.10141	3.2
123.04380	0.4
123.08075	0.6
123.11684	2.7
125.09608	0.7
127.11200	0.5
128.06213	1.3
129.07005	0.6
131.04942	0.9
131.08568	0.6
132.05716	0.3
133.06526	1.5
133.10138	3.3
134.07268	0.8
135.08052	1.1
135.10709	0.4
135.11694	5.3
137.05980	0.8
137.09622	0.7
139.07721	0.2
139.11201	0.4
142.07722	0.6
143.04945	0.4
143.08580	1.3
145.06519	1.3
145.10139	0.7
147.04385	0.5
147.08041	1.1
147.11700	3.8
149.02348	9.7
149.05923	0.3
149.13284	1.3
150.09140	0.6
151.03964	0.5
151.07478	0.3
151.11229	0.6
157.10115	0.7
159.08134	0.3
159.11716	0.5
160.05214	1.1
161.05988	2.0
161.09605	1.0
161.13287	2.3
162.06763	5.1
162.08113	0.3
163.07510	0.6
163.11154	0.3
163.14816	1.0
164.07117	0.5
165.06978	0.5
165.09143	0.5
165.12787	0.6
167.03391	0.3
171.08023	0.7
174.06920	0.2
175.07558	4.2
175.11234	0.7
175.14865	1.8
177.09114	100.0
178.07748	0.7
178.09523	0.7
179.07068	0.5
179.10706	0.3
185.09703	0.3
185.13210	0.4
188.08382	0.3
189.05527	0.5
191.07101	0.3
193.05005	0.3
193.06619	0.4
193.08553	0.6
203.07040	1.0
203.10683	2.8
203.14346	0.8
203.17999	4.3
221.04352	0.5
221.06044	0.6
221.07819	2.1
221.09836	0.5
221.11734	1.5
221.15337	2.4
221.19037	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	221.1537
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
53.03933	1.7
55.01859	2.2
55.05515	12.4
55.46832	1.2
57.03424	2.8
57.07062	4.5
58.06589	2.0
59.04997	3.0
67.05508	15.8
69.03142	1.2
69.03433	14.1
69.07067	23.9
71.04979	4.1
71.52167	1.4
72.08141	4.5
75.36580	1.1
79.05499	13.8
81.07067	19.0
83.04986	9.2
83.08627	6.5
85.06548	1.8
91.05490	16.5
91.44482	1.2
93.07047	18.0
95.04964	6.6
95.08060	1.8
95.08610	19.6
97.02911	1.3
97.05946	1.4
97.06536	20.7
97.10163	1.5
99.04424	1.9
103.05453	1.9
105.07037	36.1
107.04929	3.2
107.08597	25.1
109.06533	9.8
109.10180	9.6
111.08080	9.2
115.05409	3.6
117.07014	7.3
118.97315	1.4
119.04932	1.9
119.08590	51.6
121.06509	20.3
121.10139	24.3
123.08089	12.1
123.11698	3.1
125.05956	1.5
125.09629	13.0
128.06230	3.4
129.06984	5.5
131.04948	2.0
131.08580	3.7
133.06496	5.9
133.10141	50.0
135.08058	20.5
135.11694	21.8
137.05949	3.5
137.09589	8.6
139.07561	1.4
142.07774	4.5
143.04877	2.2
143.08540	7.5
144.23573	1.3
145.06450	2.4
145.10168	10.8
146.07185	2.5
147.04352	2.5
147.08049	14.0
147.11685	11.2
149.09616	1.6
149.13248	1.4
150.09125	3.1
151.03908	1.5
151.07539	3.0
151.11172	6.9
156.09317	1.4
157.06494	3.2
157.10149	8.4
158.05975	1.7
159.08025	2.3
159.11674	5.1
160.05194	2.1
161.06024	6.8
161.09630	33.0
161.13264	30.9
162.06743	3.3
163.07552	1.5
163.11142	7.4
164.07060	4.9
165.05498	1.4
165.06927	1.4
165.09105	3.9
170.10919	6.7
173.09648	3.4
175.07530	7.1
175.11221	9.2
175.14844	34.3
177.05565	1.9
177.09123	34.6
177.12677	2.1
179.10669	4.9
179.14333	1.8
185.06068	1.8
185.13277	16.3
188.11914	4.3
191.07007	1.8
191.14183	1.5
193.08667	1.6
193.10432	1.5
193.15898	14.8
203.07048	5.5
203.10606	4.6
203.14322	94.9
210.26028	1.2
218.62352	1.4
221.04269	1.9
221.06096	1.9
221.08070	8.4
221.09871	2.8
221.11890	9.1
221.15352	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03950	2.6
55.01861	3.2
55.05524	15.6
57.03428	1.8
57.07060	7.6
59.93996	1.6
65.03923	1.9
67.05238	1.6
67.05515	18.1
67.31432	1.7
69.03448	4.0
69.07076	12.1
70.06576	1.9
71.05000	13.9
71.06934	1.9
71.08646	2.2
71.39657	1.8
71.51633	1.6
71.52010	2.1
72.08163	2.9
73.06575	1.6
74.51247	1.7
79.05494	23.3
81.07060	77.8
82.07395	4.1
83.04962	3.3
83.08617	7.8
85.06544	4.4
88.07610	2.0
91.05476	22.5
93.07050	44.1
95.04971	3.1
95.08615	33.7
97.06512	5.0
99.08087	7.7
103.05503	2.5
105.07037	37.3
107.08596	62.4
108.08989	2.2
109.06480	3.2
109.09459	3.5
109.10154	24.9
111.08102	4.4
115.05451	8.9
117.07009	5.8
119.08585	48.7
121.06461	2.8
121.10141	20.4
123.08083	4.3
123.11703	16.4
125.09653	2.7
127.11156	5.3
128.06207	5.7
129.07033	3.7
131.04890	4.4
131.08603	3.9
133.06502	5.7
133.09264	2.9
133.10156	33.5
135.08064	4.3
135.11700	100.0
137.05997	4.3
137.09637	4.8
143.04886	2.9
143.08572	4.1
145.10094	3.4
146.10474	2.4
147.08134	2.2
147.11703	23.8
149.02359	42.9
149.13286	5.2
150.01846	2.0
151.03928	14.9
151.07570	3.5
151.11192	4.0
153.05524	2.9
157.10110	2.6
159.11731	3.2
160.05151	3.5
161.05968	8.3
161.09647	3.7
161.13284	16.4
163.07559	3.3
163.11221	1.8
163.14824	4.5
165.12756	2.5
171.08054	5.4
174.06825	2.4
175.07512	15.2
175.14891	9.6
177.05495	2.4
177.09122	20.4
177.16393	6.9
178.07906	2.1
179.10674	2.1
185.13272	3.2
188.08287	4.6
189.05428	3.3
189.09109	2.3
191.07008	7.9
191.09756	4.8
193.08577	2.2
203.07054	10.1
203.10764	16.2
203.14352	8.4
203.17986	43.9
203.20779	2.6
206.05858	2.5
221.06023	4.4
221.08069	9.1
221.11555	4.4
221.15349	10.9
221.17419	6.6
221.18988	32.7
221.22012	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.46407	0.9
53.03939	1.7
55.05503	8.8
57.07064	3.9
61.24898	0.8
67.05515	6.8
69.07072	8.6
71.04993	14.8
71.52605	1.3
79.05494	15.5
81.07059	74.7
83.08608	3.8
85.06541	1.3
91.05485	9.6
93.07046	33.0
95.08609	22.1
97.10183	1.7
99.08089	5.0
105.06329	1.1
105.07034	24.6
107.08597	57.3
108.08855	1.0
109.06509	2.4
109.10159	21.9
111.11735	1.2
113.09647	2.3
117.07042	1.5
119.08584	49.3
121.10161	7.4
123.08095	1.9
123.11713	16.7
125.09576	1.6
127.11198	10.3
133.10139	21.5
135.11693	100.0
137.09639	1.8
137.13260	2.2
139.11235	1.0
145.10121	2.1
147.11699	18.8
149.02281	1.4
149.13252	5.8
151.11169	2.2
161.13272	11.1
163.14876	4.1
165.12761	1.4
175.14752	1.8
177.09151	2.8
177.16446	1.7
203.17966	35.1
204.78374	0.9
221.15706	1.4
221.19029	36.7
224.13908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03936	2.7
55.05507	7.7
57.07073	2.7
59.31906	1.6
67.05507	11.6
69.07065	7.4
69.09892	1.6
69.15775	18.1
71.05000	23.4
79.05504	17.6
81.07063	96.8
83.05001	2.1
83.08617	4.8
85.06551	2.1
91.05496	9.1
93.07053	38.1
95.05009	2.3
95.08613	22.7
97.06525	3.0
99.08109	3.1
105.06410	2.4
105.07043	30.2
107.08607	47.0
109.06499	2.8
109.10163	23.0
115.05463	2.2
119.08589	52.8
121.10138	10.3
123.11711	13.4
123.27982	2.0
125.09663	3.0
127.11209	7.2
133.06488	2.3
133.10120	26.3
135.11705	100.0
137.09599	1.7
147.11699	23.7
149.13248	7.1
151.11229	2.0
161.05974	5.9
161.13329	10.3
163.14818	2.2
173.90009	1.7
175.07509	5.7
175.14885	3.8
177.09146	3.9
203.17986	34.6
221.06073	2.3
221.07948	3.4
221.15395	4.6
221.19049	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.43996	1.0
55.05519	8.1
57.03445	1.1
57.07077	2.9
57.40612	1.1
67.05517	12.7
69.07075	13.1
69.39214	7.2
69.39612	1.7
71.04987	2.5
79.05506	8.3
81.07070	34.0
81.94563	1.0
83.08642	6.7
85.06546	1.3
85.10201	1.3
91.05486	8.2
93.07055	18.4
95.08621	45.1
96.87982	0.9
97.06525	3.0
97.10178	4.9
103.46883	0.9
105.07041	27.2
107.08610	41.0
109.10169	26.9
109.10712	0.6
111.08083	3.1
111.11743	1.3
119.08595	25.8
121.10159	14.9
123.11746	9.7
125.09653	8.5
133.10152	20.6
135.11716	9.6
137.09586	1.4
137.13257	2.6
138.20589	1.0
139.11232	1.4
145.10161	1.9
147.11705	36.3
149.13271	4.1
151.11203	2.5
159.11743	1.5
161.13272	16.0
163.14838	18.8
165.12779	5.1
171.69583	1.2
174.22168	1.0
175.07683	1.4
175.14857	13.2
177.16415	4.1
203.17981	100.0
221.15375	3.0
221.19035	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.17567	0.9
55.05513	10.4
57.07065	4.3
57.32970	1.0
66.69344	0.9
67.05508	11.7
69.07070	20.7
71.04984	3.9
72.08149	1.0
79.05505	8.6
81.06593	2.3
81.07056	35.6
81.07534	1.8
83.08625	11.2
85.06531	2.2
85.10184	2.4
91.05473	8.3
93.07057	18.3
95.08609	46.5
97.06536	1.9
97.10163	5.9
99.08105	1.4
105.07028	29.3
105.07700	2.1
107.07880	2.2
107.08595	39.3
109.06483	1.7
109.10159	31.9
111.08073	4.6
114.15619	1.2
117.06984	1.9
119.08583	26.8
121.10141	21.9
123.08072	1.6
123.11700	7.7
125.09630	14.3
131.08548	1.4
133.06422	1.1
133.10132	22.4
135.11676	8.7
137.09602	3.0
137.13232	3.0
139.11177	1.4
147.11688	32.8
149.13264	3.9
151.11143	5.8
153.12727	2.3
161.13260	20.4
163.11243	1.1
163.14812	11.8
165.09189	1.4
165.12773	7.3
175.07568	1.2
175.11324	1.2
175.14832	15.7
177.09119	1.8
177.16414	10.0
203.17958	100.0
204.18304	1.2
221.15491	2.5
221.19011	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03944	2.7
55.05518	13.4
56.41131	1.5
57.07063	3.6
59.05001	3.5
60.24970	1.5
67.05506	12.7
69.03419	1.9
69.07072	23.1
69.41297	7.2
69.41725	4.4
71.04996	15.6
72.08150	3.1
73.04119	1.6
79.05493	20.6
81.07058	85.9
83.04958	2.1
83.08631	7.5
85.06516	4.5
91.05478	15.1
93.06484	2.9
93.07044	43.0
95.04981	3.2
95.08608	32.9
96.98483	1.4
97.06560	2.3
97.10147	2.0
98.20796	3.4
99.08079	6.1
101.30157	1.4
103.05472	1.6
105.07033	33.5
107.08595	63.9
109.06559	2.3
109.10158	26.4
111.08087	4.0
111.11716	2.3
115.05447	3.7
117.07048	2.4
119.07716	2.4
119.08585	45.3
121.02860	1.4
121.10148	17.7
123.08042	2.1
123.11724	20.6
125.09608	2.6
127.11166	4.4
128.06227	1.5
129.06964	1.9
131.04982	2.2
131.08598	3.9
133.06453	5.2
133.10144	28.4
135.11696	100.0
137.09584	3.6
139.11148	5.2
143.04948	3.9
143.81590	1.6
145.10085	4.6
147.08124	1.8
147.11705	26.4
149.02361	3.7
149.13242	4.8
151.11200	1.8
161.05974	7.0
161.13245	12.4
163.11166	1.6
163.14818	5.0
165.12802	2.2
175.07523	5.5
175.14781	6.6
177.09219	2.3
177.16394	3.4
190.06288	2.5
193.08559	2.4
193.15919	1.7
203.07062	3.5
203.10680	2.8
203.14287	2.6
203.17978	36.6
210.14476	1.5
221.06093	2.5
221.08064	10.5
221.11665	2.1
221.15417	8.6
221.19016	32.8
222.11244	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	222.1125
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
53.03931	0.4
55.01861	0.2
55.05507	0.2
56.05019	0.6
57.03425	0.2
61.85890	0.2
67.05505	1.4
68.05025	0.3
69.03423	0.3
70.06597	0.9
71.51571	0.2
72.08163	0.3
79.05495	2.1
80.05011	0.2
81.07047	0.5
82.06558	0.2
84.04498	0.6
85.02901	0.3
86.06046	0.3
86.09673	0.2
91.05480	2.2
92.05005	0.2
93.05822	0.2
93.07048	2.7
94.06546	0.6
95.04959	1.0
95.08611	0.3
96.04502	0.2
96.08115	0.3
97.02838	0.2
97.06549	0.2
98.97574	0.5
99.55616	0.2
100.07626	0.7
102.05514	0.4
103.05448	0.8
105.04482	0.2
105.07027	0.9
106.06539	0.4
107.04954	0.3
107.08582	0.5
108.08102	0.3
109.06509	0.2
115.05457	0.3
117.05704	0.2
117.07007	0.8
118.06514	0.5
119.07339	0.3
120.08083	1.1
121.06490	0.7
130.04973	0.5
130.06517	0.6
131.04901	0.3
131.08533	0.3
132.08092	2.0
133.08905	0.3
134.08679	0.3
134.09648	4.5
136.07526	0.2
136.11212	0.6
137.05956	0.2
138.09097	0.2
147.04420	0.4
148.11201	0.7
149.12032	0.3
150.09152	0.3
152.10695	0.6
158.05971	0.3
160.07602	0.3
161.08372	0.2
162.09120	0.4
163.07536	0.4
174.73996	0.2
176.07076	0.6
176.10672	1.0
177.11481	1.1
178.08588	0.9
178.12196	0.5
180.10193	0.5
181.05753	0.3
194.11754	0.5
204.06454	0.3
204.10249	0.2
222.11249	100.0
223.11658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1126
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
56.96304	0.2
56.96565	2.7
57.02198	0.1
61.02930	0.2
67.05501	0.2
69.03411	0.2
71.72425	0.1
72.08162	0.8
73.02888	0.2
73.08460	0.3
79.05501	2.1
81.07044	0.7
84.95979	0.1
91.05479	0.8
95.08598	0.2
97.02879	0.2
98.20778	0.2
98.97589	3.6
100.99125	0.1
102.96861	0.2
103.05477	0.2
105.07045	0.2
107.04910	0.2
107.08577	1.2
109.06507	0.5
110.97606	0.2
116.98637	0.8
117.05740	0.3
118.06538	1.3
119.04941	0.3
119.07336	2.6
120.08109	0.2
121.06506	0.2
127.00684	0.1
128.02229	0.2
128.07045	0.1
128.98627	0.2
130.04634	0.3
130.06516	0.3
131.00218	0.1
131.04906	0.2
131.06889	0.3
132.08116	1.0
133.04819	0.2
135.03247	0.1
137.05978	2.6
138.06274	0.2
145.01692	0.2
149.01143	0.2
149.08076	0.2
150.09149	9.6
151.04404	0.2
151.09503	0.3
153.02267	0.3
157.01923	0.1
158.07906	0.2
158.99673	1.6
159.06331	0.3
160.03816	0.2
161.04585	0.2
163.05286	0.2
169.05429	1.4
170.99672	0.2
171.03186	0.2
172.05702	2.3
172.55855	0.1
176.07106	0.4
176.09000	0.5
176.10695	0.9
176.52921	0.2
177.00691	0.6
177.07852	0.2
177.11461	0.9
180.05396	0.2
180.55652	0.2
180.98033	0.1
181.01747	0.3
181.06331	1.4
185.04781	0.3
187.06424	1.5
187.99922	0.4
189.00917	0.1
190.06763	2.1
190.08633	7.4
190.57059	0.1
191.09422	7.2
192.10165	0.5
197.01103	0.1
197.04805	0.3
198.99110	0.2
199.02756	0.6
199.06317	1.5
204.08549	0.3
204.10153	1.1
209.10376	0.1
210.04939	0.1
213.00688	0.2
217.00237	0.4
217.03770	0.2
217.07390	0.9
219.01814	0.3
222.11255	100.0
223.11586	0.8
237.02887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1125
Annotation	4-(3-Indolyl)butane-1,2,3-triol
Peak:m/z	Relative Intensity
53.03943	0.6
55.01864	0.6
56.05030	0.8
56.96571	0.7
57.03428	0.9
58.06584	0.8
65.03930	0.4
67.05507	3.0
69.03417	0.6
69.07068	0.5
70.06594	1.7
70.69199	0.7
70.69537	0.4
72.08176	1.6
79.05499	4.9
81.07040	1.4
82.06563	1.0
82.08812	0.3
84.04488	1.2
84.08134	0.9
85.06568	0.4
86.06059	0.7
91.05475	2.0
93.03388	0.4
93.07037	2.6
94.06559	0.9
95.04959	1.4
95.08611	0.8
97.06522	0.6
98.97582	1.6
100.07621	1.4
103.05458	2.1
105.03393	1.9
105.07037	4.2
106.06577	0.5
107.08593	0.5
109.06520	0.8
112.07631	0.5
115.05431	1.3
116.07122	0.4
116.60727	0.3
116.98623	0.5
117.06973	0.8
118.06553	2.3
119.04942	0.4
119.07328	1.3
119.08585	0.4
120.04486	0.5
120.08130	3.0
121.06492	2.5
121.08847	0.5
121.10160	0.4
122.05998	0.5
123.03693	0.4
123.04440	4.2
128.49316	0.3
130.06525	9.2
131.04956	2.8
131.08626	0.5
132.08073	1.2
133.06458	1.5
133.08870	1.8
134.09645	3.0
137.04726	0.3
137.05946	0.7
138.05472	0.5
139.07507	0.4
146.05988	2.0
147.04453	0.4
147.06807	2.2
147.89093	0.4
148.07581	4.0
148.11186	0.6
149.05962	1.5
150.09174	0.8
151.09488	0.6
158.06007	6.9
158.09642	0.8
158.99651	0.4
159.06264	0.6
160.07590	1.3
160.11205	0.4
161.08351	1.0
162.09117	1.3
163.07597	0.5
164.07063	1.0
165.07819	1.4
166.08632	0.4
174.09135	0.5
176.07114	1.2
176.09138	0.7
176.10698	13.8
178.08594	0.5
178.12141	0.4
179.09413	0.8
180.10170	0.7
186.05481	0.8
186.09204	0.4
190.12192	0.8
194.08176	0.4
194.11833	0.9
204.06602	1.8
204.10199	14.6
205.06987	0.4
220.09616	0.3
222.11250	100.0
223.11504	0.8
234.09015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01874	3.9
55.05505	3.6
56.96570	78.0
57.03431	5.9
57.07072	1.7
58.06595	4.0
58.36344	1.3
59.04978	1.8
59.07360	1.7
60.05658	1.7
60.08162	2.0
60.40753	1.4
61.02916	4.3
65.03939	2.2
67.05508	9.0
68.73171	1.4
69.03433	9.5
69.07064	4.1
69.25979	9.7
70.06603	7.2
70.98127	2.7
71.05001	3.9
71.95269	2.6
72.08166	8.4
72.96047	1.5
73.02943	6.6
73.55112	1.3
74.97616	3.0
79.05501	24.1
81.03429	8.6
81.07066	13.9
82.07399	1.3
83.04977	6.7
83.08602	1.3
84.08187	6.1
84.96037	9.1
85.02894	10.3
85.06548	3.8
86.09740	3.6
87.04477	1.5
90.04785	1.2
91.05482	15.4
93.07051	15.3
95.04989	9.5
95.06960	1.7
95.08629	9.9
97.02894	10.4
97.06519	2.7
97.96785	3.6
98.21527	2.8
98.97593	100.0
99.04461	2.2
101.00943	1.6
102.03358	1.3
102.96883	3.5
103.03975	1.3
103.05482	5.9
105.00162	3.0
105.03409	2.6
105.07037	14.1
107.04990	7.1
107.08606	8.2
109.02862	4.6
109.06538	10.0
110.01257	1.3
110.97594	11.7
111.04481	1.6
111.08070	6.3
112.99148	1.6
114.03352	2.0
115.00690	1.6
115.05511	1.2
115.97829	2.2
116.98631	38.9
117.07023	5.3
118.06568	2.4
118.52689	1.2
119.01917	3.4
119.04972	2.0
119.06843	1.5
119.08607	3.1
120.08134	3.0
120.97944	3.3
121.02892	1.4
121.06519	28.6
123.01181	3.0
123.04506	2.3
123.08114	10.0
124.99158	2.0
125.06007	3.8
127.00709	1.5
127.03972	2.1
128.97859	2.6
128.98619	11.1
129.02290	2.5
129.10294	1.4
130.02818	2.5
130.04688	4.5
131.00183	3.8
131.04948	4.7
131.08617	1.8
132.08052	2.8
133.06494	3.0
133.10173	1.7
134.06050	1.3
134.09618	2.8
134.99677	11.4
135.04404	2.0
135.08064	5.0
135.11658	2.5
137.02917	1.4
137.05977	16.5
137.09731	1.3
138.06247	3.4
139.07530	2.8
140.00211	3.0
140.04648	2.5
140.98586	2.7
141.02225	3.2
141.09082	2.9
143.00182	8.0
144.05255	2.2
145.01764	2.3
145.05106	3.8
145.06500	3.6
145.10149	2.0
146.99690	7.6
147.03319	3.9
148.06444	1.5
149.01231	3.5
149.02362	14.3
149.06007	27.1
149.07846	2.1
149.09535	2.3
150.06316	1.5
150.09172	2.9
150.99162	3.6
153.02240	1.6
153.05829	8.1
154.06514	1.8
155.00208	1.6
155.04625	1.8
155.07031	1.6
157.06956	2.3
158.99683	31.1
159.03290	7.2
159.04434	2.4
159.11719	2.6
161.01242	5.5
161.09685	3.6
162.05522	2.4
162.09149	37.8
163.03923	2.0
163.07178	3.0
163.11201	3.0
164.07198	1.5
167.07057	45.0
168.07709	2.3
169.05093	1.4
169.06999	1.7
170.04071	1.9
170.99667	4.4
171.08360	1.8
172.03899	6.6
172.05453	1.5
173.01210	3.0
176.19635	1.3
177.00755	27.7
177.02185	2.1
177.04295	8.6
177.05591	33.9
177.07182	2.6
177.08977	1.5
177.12701	2.3
178.03888	3.8
178.05949	1.6
178.08629	3.1
179.00192	1.9
179.03802	5.0
179.09036	2.2
180.10210	93.9
181.04388	2.5
181.08574	2.3
183.03256	2.4
184.03981	2.8
185.01262	3.4
185.04881	7.2
185.06418	1.6
187.02876	1.6
187.04401	3.9
187.08060	2.2
187.11218	2.4
187.99910	2.3
189.00746	3.5
193.04459	2.7
193.07864	1.9
195.01767	3.1
195.03363	2.7
195.05257	1.5
197.01180	4.1
197.04881	7.3
200.02335	4.5
200.05817	1.6
200.08534	1.7
201.00729	5.1
201.04388	2.4
202.04884	3.7
203.02306	2.4
203.05885	2.0
205.12253	8.6
209.01126	2.1
209.08125	12.2
211.08133	4.0
213.04340	3.1
214.04999	5.1
215.02235	2.9
215.05997	6.1
219.01759	8.3
222.65634	2.0
223.02858	2.4
223.05603	29.1
223.07935	9.8
223.11555	26.7
223.14412	19.0
223.16777	2.9
223.55634	1.7
225.04314	13.7
226.01352	1.6
227.02248	3.4
227.09113	3.3
229.03830	2.0
232.06076	10.4
234.56239	1.4
237.02859	5.5
241.03909	10.9
241.09369	2.9
242.01003	1.9
243.05505	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.2
53.90611	0.4
54.06874	0.5
55.01871	2.4
55.05511	2.4
56.05026	0.7
56.96568	47.0
57.03436	1.7
57.07076	3.8
58.06609	4.8
60.05637	0.7
60.95846	1.0
61.02920	1.7
65.03959	2.4
67.05505	8.8
68.99786	1.1
69.03427	4.3
69.07053	0.8
69.98949	2.1
70.06594	8.0
70.98127	2.0
71.01357	0.6
71.05007	1.1
71.95267	2.0
72.08157	4.1
72.93797	0.9
73.02924	2.8
73.06551	1.9
74.97620	0.7
76.03998	1.1
79.05499	13.3
80.05816	1.0
81.03416	2.3
81.07060	20.2
83.04975	1.6
84.04510	1.6
84.08146	4.9
84.96036	5.5
85.02911	4.3
85.06543	2.2
86.06077	0.6
86.09711	3.0
87.04475	0.6
91.05479	14.5
91.06023	0.9
93.07050	6.0
94.04185	1.9
95.04977	2.8
95.08632	5.4
97.02896	4.6
97.06554	0.8
97.96782	0.7
98.20831	0.8
98.97590	48.8
99.04443	0.7
99.97900	0.6
101.00889	3.4
102.03355	0.5
102.53166	0.5
102.96870	4.4
103.05463	1.7
105.00180	1.8
105.03426	0.9
105.04520	0.7
105.07027	5.6
107.04956	3.0
107.08582	2.7
108.03356	1.0
109.02881	1.9
109.06518	16.3
110.97575	7.3
111.04474	0.6
111.08101	3.3
112.07593	1.8
112.99138	0.9
113.00932	0.6
113.05985	0.6
115.02346	0.5
115.05511	0.5
116.98632	23.7
116.99463	1.2
117.03922	0.7
117.07035	1.7
118.06584	0.8
119.01915	6.3
119.04939	4.1
119.07420	0.6
119.08562	0.7
119.97285	1.2
120.04295	0.6
120.08213	0.7
120.97941	2.5
121.04111	0.6
121.05682	0.6
121.06513	9.7
121.10163	1.1
122.06860	0.9
123.01207	2.4
123.04481	0.7
123.08070	4.9
124.99118	0.7
126.03294	0.5
126.04256	0.6
127.00667	1.9
127.03946	1.2
128.02315	0.9
128.97830	1.4
128.98648	6.2
129.02264	0.8
129.10263	3.2
130.04663	2.9
130.08650	1.8
130.93295	1.5
131.00195	3.5
131.01854	1.2
131.04893	1.6
132.08041	0.7
133.01695	0.8
133.06514	0.9
134.09650	2.2
134.99654	6.0
135.04442	1.0
135.08073	1.4
135.11702	0.9
137.05983	78.4
137.98419	1.3
138.06326	3.9
138.98962	1.0
139.05154	2.1
139.07547	1.5
140.00175	0.7
140.98656	2.5
141.02209	1.8
141.09132	2.2
143.00211	4.1
143.01904	3.6
143.05585	0.6
144.05244	3.8
144.98076	0.9
145.01759	2.4
145.05170	0.8
145.06502	1.4
145.55345	0.6
146.04076	1.0
146.99631	4.3
147.03294	3.2
147.04398	1.0
147.07970	0.6
148.06404	0.6
149.01213	2.9
149.02365	3.8
149.05974	3.8
150.09155	4.9
151.00714	0.7
151.07622	0.8
151.09528	3.8
152.00661	1.1
152.04141	1.6
152.54109	0.7
152.98535	0.5
153.02245	0.7
153.05779	4.1
153.55772	0.6
154.03864	0.8
155.00136	0.9
155.04668	11.5
155.54874	0.9
156.03392	1.5
157.01707	1.7
157.03357	1.3
157.05992	0.6
158.99667	18.6
159.03293	1.0
161.01314	3.0
161.02948	3.7
161.04640	1.5
161.54811	1.6
162.03297	0.8
162.09152	40.6
162.99080	1.6
163.02800	1.9
163.11247	1.7
164.05176	2.3
165.00681	0.8
165.04335	2.7
166.03860	0.8
166.08693	1.1
166.55499	0.9
167.02402	0.7
167.03835	1.3
167.07054	3.9
169.01778	1.0
169.07016	0.7
169.98880	0.8
170.99675	2.5
171.03291	1.9
173.01253	1.0
174.04343	0.6
175.02927	0.6
175.11955	0.9
176.10652	0.7
177.00746	16.9
177.02235	1.9
177.04153	0.7
177.05508	4.3
177.09183	1.3
177.12766	0.6
178.99449	2.1
179.03691	2.8
180.10205	100.0
181.07092	0.6
182.04993	0.9
182.99591	0.7
183.03252	1.4
185.01276	1.2
185.03143	0.8
185.04851	2.4
185.06430	0.9
186.04410	0.7
187.02792	0.9
187.04459	1.0
187.99973	5.3
189.00705	2.3
189.04382	2.6
189.05951	0.7
190.56879	0.9
191.02223	0.6
191.03860	0.6
191.05614	1.0
191.09010	4.0
191.18668	0.5
192.09753	3.4
193.00047	0.6
193.04427	1.8
193.07861	0.6
193.13129	0.7
194.11797	1.0
195.01744	1.2
195.03342	2.5
197.01332	4.1
197.04868	4.3
197.06555	0.9
197.50673	0.6
199.08098	0.9
199.50732	0.8
199.99945	1.2
200.02319	3.1
201.00670	1.2
201.04335	2.0
202.04965	1.1
203.02251	1.6
203.04013	1.1
203.05888	1.3
204.05408	0.9
205.08568	1.5
205.10533	1.0
205.12306	1.3
207.05461	1.2
209.01259	0.7
209.08162	0.9
211.02739	1.1
211.08159	4.2
213.00728	1.1
213.04166	0.9
214.04861	0.6
215.02271	2.0
215.05840	1.8
218.03342	1.1
219.01759	6.7
219.05182	1.0
222.65549	0.9
222.96887	1.1
223.02992	2.5
223.05785	4.8
223.08063	3.9
223.11565	50.9
223.14384	20.1
223.17950	1.8
225.00856	0.9
225.04326	3.8
226.01511	1.5
227.02086	0.6
227.05980	0.9
229.03929	0.8
229.09236	1.1
231.05457	1.0
232.05945	1.1
233.06877	0.7
237.02817	10.1
241.00137	0.9
241.03885	6.3
241.09268	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	223.133
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03934	5.7
55.01850	7.5
55.05514	12.2
57.03430	4.9
57.07058	2.8
59.04976	8.0
62.98183	2.0
65.03921	3.2
67.05514	17.9
68.99773	2.6
69.03435	24.5
69.07037	9.5
70.06572	5.2
70.10085	8.4
71.01324	2.2
71.04972	4.9
72.08131	3.3
74.88347	1.9
79.05486	18.4
81.03383	7.0
81.07052	15.8
83.04980	26.8
83.08598	4.1
84.08121	2.8
85.02878	5.9
85.06530	4.3
86.09689	4.8
91.04905	2.8
91.05476	48.1
93.07047	95.4
95.04394	2.1
95.04971	25.7
95.08620	18.2
97.02860	5.9
97.06508	9.3
98.97556	5.9
99.04449	4.6
103.05441	6.8
105.03389	2.7
105.06409	2.2
105.07030	25.2
106.06525	4.7
107.04930	7.7
107.07991	2.4
107.08609	28.2
109.06528	16.8
109.10131	10.2
111.08063	6.5
111.50549	2.0
113.02286	2.5
113.05979	3.1
115.05408	6.5
117.07012	23.4
119.08591	23.9
121.06512	100.0
121.10154	23.4
123.08105	9.9
125.05942	4.0
125.09582	6.1
127.07598	10.8
129.06987	8.4
129.10193	2.5
131.04980	4.4
131.08583	15.8
132.08078	9.7
133.06464	4.8
133.10149	14.5
135.04376	4.3
135.08070	65.3
135.11650	8.2
137.05972	10.3
137.09647	14.5
139.07567	13.2
142.07736	2.7
143.04836	3.8
144.09286	6.0
145.06519	16.5
145.10115	16.8
147.08006	9.3
147.11688	5.4
149.02373	16.1
149.05952	12.9
149.09633	39.6
149.13223	4.6
151.07515	5.2
151.11073	2.6
153.09076	9.2
157.10075	6.7
158.99622	2.5
159.07999	9.0
159.11719	25.7
160.07558	3.3
161.05920	5.8
161.09644	10.0
163.03848	4.0
163.07579	12.3
163.11174	15.1
165.09143	14.7
167.07005	7.4
167.08298	2.1
172.08830	4.5
174.77188	2.3
175.07523	16.4
175.11227	15.9
176.14368	2.0
177.05467	4.2
177.09151	13.1
177.12746	13.9
179.07048	2.3
179.09332	2.4
179.10692	31.5
180.10088	3.6
181.08519	5.3
187.11163	18.0
190.09813	7.6
193.08487	2.7
193.12177	7.3
195.10097	2.3
205.08609	15.0
205.12250	75.6
223.05807	10.7
223.09772	11.2
223.13234	78.0
225.04254	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	223.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08657	3.9
53.03937	4.5
55.05515	49.2
57.07080	36.5
65.70947	5.0
69.04540	4.2
69.07076	100.0
69.15214	43.0
71.08636	27.3
80.68008	4.6
81.07063	8.1
83.08629	66.7
85.10204	6.2
88.94892	3.8
97.10189	53.3
98.21542	10.5
111.11726	33.8
120.04507	5.2
122.26772	4.1
125.13319	6.4
149.02332	9.9
157.04588	5.0
197.36983	4.6
211.81923	4.5
223.10863	6.5
223.14960	5.0
223.16945	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	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.9
56.96569	14.0
57.03419	7.7
59.07676	2.3
61.02930	2.5
63.56929	2.3
64.30898	2.3
68.19909	2.6
69.03422	7.0
71.01363	2.7
71.50830	4.6
73.02921	13.3
81.03422	5.8
82.99828	8.3
84.96027	5.3
85.02901	5.1
86.03694	3.0
97.02897	21.7
98.03220	4.0
98.97592	28.8
100.08939	2.5
101.00883	56.0
103.00600	3.8
108.99803	3.5
116.98669	5.2
119.01935	100.0
124.02435	10.4
124.99133	5.4
127.03938	2.5
130.00226	2.7
131.03560	2.8
132.53375	3.2
137.02940	9.9
141.66661	3.0
142.03503	67.3
143.01926	7.8
145.03413	2.6
148.03828	4.1
149.00952	2.5
152.01566	3.2
153.29492	2.4
154.01245	2.9
158.03633	2.9
158.99857	2.6
160.04565	10.1
161.02994	43.9
166.01401	4.6
174.97649	3.0
175.01839	17.6
175.04433	3.3
175.51994	4.0
177.01010	5.7
179.04018	41.7
181.01880	5.4
183.05017	5.5
183.55142	18.8
184.04813	13.6
185.03018	5.3
185.99263	2.6
186.02986	2.5
190.02359	4.6
192.05492	5.3
192.55684	32.0
193.05516	16.4
196.02257	2.6
201.00873	3.6
201.06075	3.6
201.56163	33.2
202.05974	21.3
204.06522	6.4
219.01996	6.6
221.05022	5.2
222.05241	11.1
223.04855	7.5
225.02533	4.0
239.06122	4.5
240.06357	7.8
241.05902	7.9
243.02065	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03951	0.7
55.01870	0.8
65.03943	3.1
67.05506	1.3
69.03410	0.7
69.07063	0.7
69.53574	4.1
71.04984	1.1
73.60606	0.6
75.95367	0.7
77.03915	1.4
79.05504	1.4
81.07057	1.0
83.44255	0.8
89.03921	1.3
91.05486	42.0
93.07026	1.9
95.04955	2.3
95.08614	1.4
95.76489	0.6
99.04467	1.3
101.95036	2.0
102.92304	0.6
103.05458	1.9
105.03394	3.0
105.06981	0.7
107.04957	2.0
107.08595	1.6
109.06532	1.8
109.10165	1.0
118.04173	4.7
119.04949	47.9
119.08541	0.8
121.02834	1.2
121.06486	1.3
121.10137	1.5
121.37025	0.6
123.04430	1.8
129.03387	0.9
132.02063	4.8
133.02893	1.2
135.04396	2.4
136.05211	1.3
137.05937	1.5
137.09645	0.9
145.02852	1.3
146.03618	1.5
147.04422	42.4
147.11693	1.0
149.02367	6.2
149.09589	1.1
151.07472	0.9
151.11194	0.8
153.05455	1.2
157.03954	4.9
163.03941	1.6
164.04712	4.9
165.05470	1.2
167.07011	1.2
167.10770	0.9
175.03915	66.6
176.04419	1.0
177.01820	3.0
179.07019	5.5
180.04204	1.2
183.06490	0.7
189.12791	0.8
192.02460	1.5
192.04184	23.3
192.05925	1.5
193.05115	1.8
195.06465	0.8
197.99123	0.6
203.08498	0.7
207.06538	100.0
207.13942	1.5
208.06929	0.9
225.05548	1.0
225.07414	1.5
225.09233	1.5
225.12846	1.1
225.14891	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.076
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.11314	0.7
53.03943	1.5
55.01858	1.1
55.05502	2.4
56.96547	1.7
57.07061	1.2
65.03943	2.1
67.05512	1.6
69.03408	1.3
69.07063	1.2
69.58484	2.1
69.58909	2.5
71.05013	1.8
71.69949	0.7
76.05604	0.7
79.05483	2.2
81.07060	2.6
83.04971	1.3
83.08620	1.6
83.48785	0.7
89.03880	1.5
91.05489	38.3
93.03425	0.8
93.07051	3.5
94.07491	0.7
95.04968	3.5
95.08627	2.7
97.06580	1.1
98.20792	1.4
99.04414	1.8
101.95057	4.0
103.05463	1.2
105.03384	4.2
105.04533	0.8
105.07034	3.5
107.04953	1.4
107.08582	3.1
109.02847	0.8
109.06519	2.8
109.10162	2.2
110.71599	0.7
118.04179	4.6
119.04950	40.5
119.08570	2.5
119.96043	1.0
121.02880	1.2
121.06505	1.4
121.10185	3.5
122.17800	0.7
123.04448	1.6
123.08052	2.1
132.02069	2.8
133.02884	1.7
135.04425	1.4
135.11594	0.8
136.05182	1.6
137.05945	1.3
137.09628	1.8
137.13321	0.9
146.03647	1.8
147.04427	38.6
147.11673	2.3
149.02370	4.9
149.09665	3.8
151.07513	1.5
153.05461	1.6
156.09412	0.9
157.03992	3.4
160.98698	1.2
161.13255	2.3
163.03932	1.5
164.04683	3.7
165.03850	1.1
165.05441	1.8
165.12743	1.5
167.07042	2.5
167.08508	1.0
167.10667	1.3
169.10199	1.0
173.03476	0.8
175.03926	64.5
177.01834	2.2
177.12772	1.1
179.07054	3.4
180.04227	1.9
183.06529	1.2
183.11763	1.0
183.13837	0.9
189.12761	3.2
192.04195	16.7
193.05191	3.8
195.08131	1.7
202.05713	0.9
207.06551	100.0
207.13876	3.9
225.05496	1.2
225.07849	0.9
225.09271	7.0
225.12851	1.4
225.14845	2.3
225.16685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
57.62045	0.5
65.03931	2.3
67.05489	1.0
69.03437	0.8
69.27325	4.8
69.27716	1.2
76.03163	0.7
77.03935	0.9
79.05482	1.2
87.42555	0.6
89.03924	1.2
91.05491	39.8
93.07027	0.9
95.04971	1.1
95.08640	0.7
97.06518	0.8
99.04462	1.1
103.05466	1.7
105.03410	1.3
105.07036	1.2
107.04968	1.1
107.08591	1.0
109.06516	1.2
109.10161	1.3
111.08067	0.6
114.38007	0.5
118.04169	4.6
119.04956	44.9
119.08570	1.9
121.02834	0.9
121.06541	0.8
121.10156	1.5
123.04453	1.0
123.08044	1.3
129.03487	0.5
131.04936	1.0
132.02083	4.6
133.02870	0.9
133.10069	0.8
135.04433	1.7
136.05220	1.5
137.05969	0.8
137.09615	1.6
145.02840	1.5
146.03656	1.2
147.04425	37.4
147.11719	0.9
149.02365	5.6
149.09612	1.8
153.05482	0.9
157.03987	4.8
159.11734	0.6
161.13268	1.4
162.03038	0.9
163.03926	0.9
163.11188	0.9
164.04718	5.1
165.09079	0.9
165.12735	0.8
174.03168	0.7
175.03922	65.7
177.01888	1.6
177.12717	0.5
179.07054	3.5
181.08530	0.6
183.06500	0.7
184.49194	0.5
189.12769	1.0
192.04204	22.0
207.06544	100.0
207.13800	2.5
225.14874	0.9
225.55499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.076
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.11747	0.4
53.03933	0.5
55.01874	0.6
56.25937	0.4
57.03436	0.4
57.07081	0.8
62.55724	0.5
63.02404	0.6
65.03949	2.4
67.05499	1.2
70.76241	1.0
71.05006	0.8
77.03954	0.8
79.03924	0.5
79.05469	1.2
81.07058	2.1
83.04967	0.6
83.08617	0.8
85.06512	0.4
89.03935	0.9
91.05489	39.1
93.07043	1.8
95.04973	1.5
95.08610	2.0
97.06524	1.0
99.04484	0.7
101.95042	2.1
103.05464	1.6
105.03400	2.8
105.07032	1.2
107.04961	1.0
107.08614	1.8
108.05750	1.0
109.06528	1.5
109.10165	0.8
117.03331	0.5
117.07004	0.5
118.04169	4.5
119.04955	47.7
119.08578	1.1
121.02909	1.3
121.06501	1.1
121.10149	1.5
123.04440	1.0
123.08100	1.4
123.11683	0.7
125.09534	0.5
127.66834	0.6
129.03389	1.1
130.38029	0.5
132.02069	3.8
133.02791	1.0
133.10124	0.9
134.03697	0.5
135.04457	1.2
136.05202	1.8
137.06000	0.9
137.09657	1.1
137.13252	0.6
145.02856	1.2
146.03596	1.4
147.04427	37.9
147.11703	1.2
149.02357	5.6
149.09656	0.9
153.05484	1.3
154.07896	0.5
155.08659	0.5
157.03966	3.7
161.09698	0.6
161.13258	0.7
163.03903	2.0
163.11183	0.7
164.04723	4.7
165.05501	0.6
165.12822	0.5
167.07039	0.8
167.10643	0.7
169.10185	0.6
174.03142	1.5
175.03929	66.2
177.01828	2.0
179.07045	4.4
179.14400	0.7
180.04208	1.4
182.07294	0.5
183.06462	0.6
189.12704	0.8
192.04190	20.7
193.04985	1.4
195.06618	0.7
207.06551	100.0
207.13828	1.7
210.10385	0.5
225.07272	0.8
225.09158	2.8
225.12813	0.8
225.14853	1.6
225.16711	0.8
225.18518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.85182	3.7
55.05500	10.8
57.03433	4.7
61.91357	3.9
67.05499	10.1
69.03426	8.2
69.07064	12.0
71.04974	17.8
71.24637	7.3
79.05479	13.5
81.07036	16.3
83.04967	5.5
85.06525	9.3
91.05473	25.3
93.07040	30.5
95.04947	19.3
95.08601	30.9
97.06516	14.2
99.04442	5.6
105.07035	55.5
107.08591	93.8
109.05815	6.8
109.06516	100.0
109.10115	10.2
117.07011	6.1
119.04976	4.8
119.08582	72.4
121.06538	20.3
121.10144	43.2
123.08081	33.7
123.11700	4.2
129.06996	5.8
131.08569	34.7
133.06482	4.9
133.10139	10.6
135.08052	48.5
137.09625	66.6
139.07524	23.0
143.08578	19.2
145.10123	30.8
147.08054	23.3
147.11682	67.6
149.09608	63.8
149.13228	5.2
156.09372	25.8
159.11705	40.0
161.09596	12.1
161.13260	32.5
163.11198	17.6
165.09123	18.9
165.12756	7.6
167.10689	47.0
171.11707	34.5
174.10298	5.3
177.12743	53.3
189.12727	93.4
207.06563	4.1
207.13791	98.1
225.14850	33.2
232.61964	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03937	2.2
55.05508	6.7
59.05013	1.6
67.05502	9.5
69.03435	6.3
69.07055	4.3
71.04985	7.2
71.18538	4.3
79.05490	14.8
81.07066	17.7
83.04986	2.5
85.06554	8.4
91.05466	16.9
92.32583	1.7
93.07049	43.6
95.04968	4.7
95.08607	11.1
97.06527	5.3
99.04439	4.9
99.08079	2.6
101.06024	1.7
103.05482	2.4
105.07039	42.5
107.04951	3.9
107.08597	100.0
109.06524	21.1
109.10155	15.1
111.08114	3.2
117.07033	2.6
119.04926	3.6
119.08580	35.0
121.06509	25.6
121.10146	35.7
123.08073	7.1
129.06985	2.3
131.08572	16.5
133.10121	8.0
135.08064	3.7
135.11723	4.6
137.09622	56.2
143.08569	3.3
145.10139	6.5
147.04352	2.7
147.08038	7.4
147.11682	43.6
147.12802	2.9
149.09627	53.8
149.13249	16.2
156.09370	5.0
159.11662	10.6
161.09637	3.7
161.13246	33.0
163.36478	1.6
165.12766	9.3
167.10678	82.0
171.11697	15.8
175.03902	4.0
177.12761	40.1
189.12741	49.3
195.13828	3.0
205.38226	1.8
207.06516	2.6
207.13799	38.4
225.14815	12.7
226.85881	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Annuionone A
Peak:m/z	Relative Intensity
55.05505	4.6
66.92635	1.0
67.05522	1.3
69.03452	0.9
69.07050	1.2
69.54146	0.9
69.84287	4.7
71.04995	41.7
79.05483	2.6
81.03424	1.4
81.07079	5.6
83.04988	2.0
83.08630	5.5
85.02890	1.9
85.06559	1.2
91.05479	6.2
93.07042	2.7
95.04952	1.9
95.08603	6.2
97.06532	3.8
99.04456	100.0
105.07028	4.4
107.08595	37.6
109.05806	1.6
109.06517	21.6
109.10162	1.6
113.09641	3.7
119.04984	1.3
119.08566	3.1
121.10152	12.1
123.08073	16.1
123.11700	12.4
125.09628	6.3
131.08551	1.9
131.50211	1.0
137.09644	3.1
139.11211	2.1
141.12689	1.3
145.10101	1.2
147.08005	1.1
147.11691	6.3
149.09634	13.4
161.13280	2.2
165.12756	12.3
167.10680	33.6
175.03915	3.1
177.12877	1.4
183.13800	33.0
189.12753	4.6
203.98434	1.0
207.06528	4.2
207.13815	4.5
225.12790	1.4
225.14833	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03948	13.2
55.01864	5.7
55.05507	23.1
55.72099	3.9
56.68791	3.6
57.03423	5.5
57.07067	4.7
61.84457	4.2
63.02055	3.9
65.47099	3.9
67.05514	51.8
69.07063	15.0
70.67780	7.3
70.68113	3.6
71.04984	6.5
73.06538	5.0
79.05070	6.7
79.05495	75.1
81.03413	8.5
81.07063	40.8
83.04982	29.3
83.08620	10.9
85.02930	4.2
91.05483	61.0
93.07047	100.0
95.04970	24.6
95.08616	24.4
97.06511	8.6
97.10175	6.0
99.04464	5.5
101.95036	50.2
105.03384	16.5
105.07039	44.4
107.08611	28.0
109.06530	11.9
109.10130	6.2
111.08118	4.2
115.26570	4.1
117.07031	10.2
119.04869	5.8
119.08581	25.6
119.96072	16.4
121.06485	5.4
121.10160	5.6
121.70068	3.9
123.08046	7.5
128.25189	4.4
129.07018	17.4
133.10170	10.4
142.97623	7.2
143.08534	11.0
145.10121	13.6
147.04404	15.2
147.08127	4.4
147.11708	63.2
149.09680	4.6
160.98695	18.5
161.13251	18.9
165.05560	4.7
171.11702	38.9
175.03886	7.7
179.14272	6.2
189.12738	16.7
195.58806	4.0
207.13792	27.2
225.09013	12.0
225.12695	4.1
225.14783	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03958	3.2
55.01846	2.4
55.05515	27.0
55.56322	2.0
57.03426	5.2
57.07090	2.6
61.98365	2.0
64.73540	2.7
67.05507	10.8
69.03437	11.0
69.07063	8.9
69.74386	7.6
69.74809	5.3
70.42426	2.0
71.04653	1.9
71.04979	10.7
71.35697	1.9
79.05500	18.8
81.07064	16.8
83.05004	7.4
85.06570	3.1
91.05479	29.8
93.07051	33.8
95.04975	17.7
95.08602	19.9
97.06525	4.9
99.04463	12.2
103.05453	3.4
105.03403	3.9
105.07039	53.5
105.07699	4.6
107.04976	8.3
107.08607	69.2
109.06512	13.5
109.10169	17.0
111.08063	2.3
115.05503	2.3
115.17788	2.2
117.07016	6.1
119.04956	9.4
119.08591	94.7
121.06525	21.8
121.10154	20.4
123.08074	100.0
123.11732	4.3
123.15569	2.5
125.05973	11.1
129.07010	2.9
131.08595	14.4
133.06552	4.8
133.10143	21.7
135.08078	24.6
135.11699	9.2
137.05991	4.5
137.09618	16.0
139.07553	2.3
141.06999	3.9
143.08568	4.5
144.09351	5.0
145.06439	2.4
145.10130	9.2
147.04416	12.3
147.08032	14.0
147.11693	63.9
149.09607	12.4
150.18823	2.4
151.07556	6.3
151.11197	4.1
153.09105	3.3
156.09375	9.5
159.11717	41.1
160.08818	2.9
161.09634	8.2
161.13254	49.1
163.03897	6.5
163.11223	13.0
164.07047	3.8
165.05490	3.5
165.09138	3.5
165.12810	3.8
167.10657	5.2
171.11711	9.1
172.39758	2.3
174.10515	4.0
175.03917	12.8
177.02223	1.9
177.12755	18.5
180.04189	8.1
181.12311	4.2
183.06491	3.8
189.12732	27.5
192.04132	2.8
193.04997	7.0
195.06606	4.3
207.06566	18.6
207.13809	43.6
225.05615	3.6
225.07625	8.3
225.14911	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.77287	0.4
53.03947	1.6
53.13324	0.5
55.01872	1.2
55.05511	2.5
57.03431	1.9
57.07080	0.9
57.27927	0.5
59.05018	0.7
65.03928	0.9
67.05512	2.3
69.03421	0.7
69.06736	0.4
69.07065	3.2
69.65866	1.6
69.66274	1.3
70.06595	0.7
71.04990	3.2
73.02911	1.4
75.04477	1.2
76.76733	0.5
77.03926	0.8
78.04696	2.1
79.05487	5.1
81.03422	0.8
81.07061	3.7
83.04959	1.0
83.08604	1.3
85.06534	1.5
86.09694	1.8
89.03913	1.0
91.05484	7.9
93.07052	8.3
94.04206	0.7
95.04971	36.4
95.08627	2.6
97.06530	6.4
99.04465	6.0
99.08106	2.9
100.11264	7.0
103.05470	7.3
105.03403	0.7
105.04495	0.7
105.07060	2.4
106.04166	2.3
107.04954	4.7
107.08600	3.4
109.06528	4.7
109.10164	2.5
111.04421	0.8
111.08087	1.0
113.96426	0.5
115.07567	1.8
117.03393	1.4
117.07013	0.8
119.04941	1.4
119.08569	2.1
120.05695	0.6
121.06515	13.7
121.10161	3.6
123.04437	7.2
123.11690	1.1
124.05196	2.2
125.06023	0.9
125.09625	1.1
127.07566	1.9
131.04926	6.0
131.08568	1.2
133.02859	0.9
133.10146	5.7
134.03621	1.8
135.04442	1.5
135.08046	1.4
135.11732	0.5
137.05974	8.7
137.09631	1.0
139.11160	1.5
140.04712	3.3
143.10606	0.7
145.02722	0.7
145.10132	1.6
147.04393	1.8
147.11745	0.8
148.05190	3.5
149.05989	14.5
149.09641	1.0
149.13255	1.6
151.03935	1.5
151.11200	0.9
152.04668	1.8
153.05458	1.2
153.09108	11.8
153.86101	0.5
155.07057	2.7
159.04428	4.2
162.03297	0.5
163.03973	1.2
163.07500	0.6
163.11232	0.9
163.14769	1.2
164.07076	0.5
165.05522	1.2
166.06268	0.8
167.07047	100.0
171.10149	2.2
173.13248	2.6
176.04688	0.9
177.05478	30.5
179.07016	0.8
180.07811	1.0
181.05011	2.5
181.06401	0.5
181.08614	1.4
191.07048	1.4
191.10690	0.8
191.14316	3.1
194.05795	4.0
195.06526	5.3
209.08102	19.2
209.11641	1.0
209.15285	7.3
210.08464	0.5
227.06989	1.2
227.09166	4.6
227.16185	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	227.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77287	0.4
53.03947	1.6
53.13324	0.5
55.01872	1.2
55.05511	2.5
57.03431	1.9
57.07080	0.9
57.27927	0.5
59.05018	0.7
65.03928	0.9
67.05512	2.3
69.03421	0.7
69.06736	0.4
69.07065	3.2
69.65866	1.6
69.66274	1.3
70.06595	0.7
71.04990	3.2
73.02911	1.4
75.04477	1.2
76.76733	0.5
77.03926	0.8
78.04696	2.1
79.05487	5.1
81.03422	0.8
81.07061	3.7
83.04959	1.0
83.08604	1.3
85.06534	1.5
86.09694	1.8
89.03913	1.0
91.05484	7.9
93.07052	8.3
94.04206	0.7
95.04971	36.4
95.08627	2.6
97.06530	6.4
99.04465	6.0
99.08106	2.9
100.11264	7.0
103.05470	7.3
105.03403	0.7
105.04495	0.7
105.07060	2.4
106.04166	2.3
107.04954	4.7
107.08600	3.4
109.06528	4.7
109.10164	2.5
111.04421	0.8
111.08087	1.0
113.96426	0.5
115.07567	1.8
117.03393	1.4
117.07013	0.8
119.04941	1.4
119.08569	2.1
120.05695	0.6
121.06515	13.7
121.10161	3.6
123.04437	7.2
123.11690	1.1
124.05196	2.2
125.06023	0.9
125.09625	1.1
127.07566	1.9
131.04926	6.0
131.08568	1.2
133.02859	0.9
133.10146	5.7
134.03621	1.8
135.04442	1.5
135.08046	1.4
135.11732	0.5
137.05974	8.7
137.09631	1.0
139.11160	1.5
140.04712	3.3
143.10606	0.7
145.02722	0.7
145.10132	1.6
147.04393	1.8
147.11745	0.8
148.05190	3.5
149.05989	14.5
149.09641	1.0
149.13255	1.6
151.03935	1.5
151.11200	0.9
152.04668	1.8
153.05458	1.2
153.09108	11.8
153.86101	0.5
155.07057	2.7
159.04428	4.2
162.03297	0.5
163.03973	1.2
163.07500	0.6
163.11232	0.9
163.14769	1.2
164.07076	0.5
165.05522	1.2
166.06268	0.8
167.07047	100.0
171.10149	2.2
173.13248	2.6
176.04688	0.9
177.05478	30.5
179.07016	0.8
180.07811	1.0
181.05011	2.5
181.06401	0.5
181.08614	1.4
191.07048	1.4
191.10690	0.8
191.14316	3.1
194.05795	4.0
195.06526	5.3
209.08102	19.2
209.11641	1.0
209.15285	7.3
210.08464	0.5
227.06989	1.2
227.09166	4.6
227.16185	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03960	1.6
55.01876	5.7
55.05544	1.7
65.03947	6.1
67.05501	3.4
69.03452	2.0
69.07084	1.8
69.73138	3.8
70.44830	0.7
71.05020	2.2
73.02921	35.5
79.05518	3.1
81.03407	0.9
81.07092	2.0
82.04192	1.5
83.08631	1.2
85.02930	4.0
85.06573	2.2
91.05489	3.9
93.03431	1.4
93.07046	5.0
95.04972	10.1
95.80483	0.7
96.27391	0.8
97.06556	3.3
99.04475	1.5
99.08119	1.6
100.11288	2.1
101.02382	0.7
103.05477	3.5
105.04503	0.8
105.07075	1.7
107.04969	2.1
107.08591	1.9
108.02127	0.9
109.06525	1.4
109.10140	1.0
110.03680	4.2
111.04417	1.0
111.08110	0.7
115.07613	0.8
119.04944	0.8
121.06508	8.5
121.10175	1.4
121.19407	0.8
123.04436	10.2
123.08116	1.1
123.11742	0.9
125.02376	2.4
125.06021	3.2
131.04947	0.9
131.08554	1.6
133.10135	2.8
135.11748	0.7
137.05974	2.4
138.03116	2.3
139.11201	1.0
140.04694	47.8
142.02623	2.0
145.10132	0.9
147.04283	1.1
148.05197	0.9
149.05997	5.3
149.09656	2.4
149.13306	0.9
151.03912	0.8
153.05441	4.9
153.09076	1.8
155.07039	70.0
155.86755	0.7
163.11247	1.1
167.07045	24.7
167.10681	1.3
167.67065	0.8
171.06552	2.5
171.10277	0.9
173.08127	2.3
173.13237	1.1
177.05476	11.3
179.07056	2.3
181.04965	100.0
191.10675	1.3
191.14340	1.4
194.05685	0.9
195.06589	0.7
209.08118	24.7
209.09950	1.7
209.11665	1.2
209.15306	1.8
227.07271	1.2
227.09117	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.98620	1.6
55.01873	5.1
55.05513	6.8
57.03428	2.0
57.07071	5.9
67.05504	25.7
68.12805	1.9
69.03441	3.2
69.07069	11.5
69.76056	3.9
69.76460	7.2
71.05000	15.1
78.65472	1.7
79.05501	26.0
81.07072	15.6
83.04987	5.2
85.06548	100.0
91.05492	18.3
93.07051	30.6
95.04984	10.0
95.08614	9.1
97.06541	35.4
98.21510	2.1
98.97629	2.3
99.04437	2.1
99.08095	6.5
100.11279	2.3
103.05501	1.9
105.07035	22.7
107.04967	10.0
107.08607	35.5
109.06533	9.4
109.10151	4.1
111.04449	13.7
111.08085	3.0
113.06062	2.2
117.07026	6.1
119.08595	18.6
121.06502	14.8
121.10145	38.1
123.08073	6.2
123.11765	8.7
125.06022	8.9
129.07031	5.1
130.07840	2.1
131.08583	61.1
133.10146	8.7
135.08096	4.4
135.11705	8.1
137.05995	2.9
137.09630	8.1
139.11235	2.5
140.04597	2.2
145.10133	30.7
147.08043	6.8
147.11745	3.4
148.05243	2.4
149.06007	3.4
149.08427	3.8
149.09628	77.8
149.13292	5.1
151.11218	7.3
153.05515	5.3
153.09175	3.4
155.06998	3.0
163.11179	20.3
163.14859	2.6
165.09152	9.0
165.12793	2.1
167.07098	9.2
167.10689	50.4
173.09648	7.9
173.13284	8.2
179.10728	2.5
191.10684	55.9
191.14314	8.2
201.90994	1.9
209.11749	58.3
209.15176	4.6
227.06989	2.1
227.10664	2.3
227.12775	29.5
227.16347	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03944	0.7
54.23726	0.6
55.01880	1.2
55.05508	2.6
57.03439	6.2
57.07082	3.4
59.05018	0.9
65.03936	1.0
67.05509	10.7
69.03421	1.2
69.07075	4.4
69.71591	3.7
71.04996	13.1
71.32265	0.6
72.72711	0.5
73.02947	0.8
73.06532	0.5
75.04484	3.0
79.05498	10.6
81.07061	6.7
83.04978	3.4
85.06547	34.1
91.05479	6.5
91.17503	0.5
93.07053	13.2
93.07643	0.8
95.04974	100.0
95.08599	4.4
97.06536	15.5
97.10167	0.8
99.04465	15.5
99.08098	9.7
99.08698	1.0
105.06382	1.1
105.07037	9.5
107.04969	3.5
107.08600	15.3
109.06526	12.9
109.07265	0.7
109.10188	4.8
111.04457	3.3
111.08084	1.2
113.09637	0.7
115.07584	4.3
117.07030	1.7
119.08604	9.5
121.06500	4.0
121.10152	11.9
123.08070	2.3
123.11730	2.2
125.06010	2.9
125.09653	2.0
127.07542	3.4
129.07010	2.0
131.07596	1.3
131.08574	22.1
133.10138	15.3
135.08052	3.2
135.11696	4.1
137.09636	2.8
139.07585	1.0
139.11180	5.5
140.04759	0.7
145.10130	9.9
147.08078	1.9
147.11688	3.3
149.05983	1.2
149.09637	20.3
149.13216	3.2
151.11235	1.6
153.05600	0.7
153.09114	29.9
153.12773	1.2
155.07045	1.8
155.08501	0.6
163.07558	0.8
163.11186	8.7
163.14825	2.8
165.09145	3.4
167.07045	1.3
167.10687	11.5
168.97850	0.6
171.10223	4.4
173.09660	2.7
173.13245	7.0
181.04987	2.2
191.10675	16.8
191.14308	8.0
197.11806	0.9
209.08585	0.7
209.11777	18.9
209.15356	19.9
215.10193	0.8
227.12862	10.5
227.16403	14.6
227.18546	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.31649	1.0
53.03929	1.6
55.01872	4.7
55.05310	1.0
55.05513	9.9
57.03427	3.4
57.07082	6.2
58.31818	0.9
59.05024	1.1
59.63737	0.9
65.03937	2.3
65.50912	1.0
67.05511	29.9
69.03425	5.8
69.07069	11.3
70.86211	1.2
70.86557	2.8
71.05003	20.4
73.02922	1.6
77.03923	1.2
78.04709	1.4
79.05500	31.2
81.03421	1.4
81.07065	20.0
83.04980	12.0
83.08590	2.0
85.06551	100.0
86.09747	1.1
87.04472	1.6
91.05489	21.2
92.64207	1.1
93.07054	38.1
95.04980	11.7
95.08621	13.0
97.06544	8.6
99.04449	1.9
99.08105	10.1
99.10117	1.1
100.11232	1.2
103.05470	3.1
105.07036	26.9
107.04971	11.3
107.08604	60.6
109.06512	11.0
109.10172	12.2
111.04440	13.4
111.08073	2.1
117.07043	6.3
119.05000	1.1
119.08596	20.0
121.06516	19.2
121.10155	36.6
123.04420	4.9
123.08082	7.7
123.11724	2.4
125.05996	6.9
125.09620	2.2
127.07525	1.2
129.07013	6.4
130.07771	1.9
131.04950	1.8
131.08583	65.3
133.10135	18.8
135.04466	1.9
135.08052	8.3
135.11705	7.8
137.05981	3.1
137.09616	12.8
139.07568	2.5
139.11140	4.1
140.04701	2.5
141.05467	1.2
143.08542	2.2
145.06487	1.5
145.09068	1.9
145.10144	26.7
147.08054	6.9
147.11681	7.9
149.06015	5.2
149.09633	68.3
149.13264	15.4
151.11186	9.6
153.05473	3.3
153.09091	3.1
155.07036	5.6
161.13258	3.2
163.07550	3.6
163.11186	20.6
163.14792	5.5
165.09129	10.3
167.07065	31.9
167.10692	34.8
173.09654	7.3
173.13275	12.5
177.05516	6.2
179.07037	1.1
179.10657	1.2
179.14291	1.4
181.04932	4.0
181.12314	1.6
191.10690	58.3
191.14311	16.0
197.11684	1.7
209.08093	3.5
209.11751	55.5
209.15059	7.4
227.09171	1.7
227.12799	29.5
227.16417	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	227.128
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.47055	0.8
53.03936	2.9
55.01873	6.8
55.05514	13.7
57.03431	2.4
57.07066	2.4
63.63948	0.9
65.03938	1.3
67.05511	19.1
69.03439	1.2
69.07072	9.8
69.25877	3.0
69.26289	5.9
71.04974	4.3
71.51907	1.1
73.02914	2.8
79.05497	25.1
81.03397	3.8
81.07062	23.4
83.04973	4.2
83.08204	1.3
83.08625	10.9
85.06522	3.0
91.05499	9.9
93.07052	40.1
93.16955	1.0
95.04980	10.4
95.08617	44.7
97.02896	3.5
97.06528	5.2
97.10189	2.5
98.21532	2.3
99.04450	5.6
99.08093	1.9
100.11255	3.3
103.05444	2.1
105.07030	7.3
107.04970	10.2
107.08598	27.7
109.06522	1.9
109.10145	4.3
111.04431	2.1
111.08067	2.0
117.07037	9.9
119.08611	10.6
121.06511	9.7
121.10165	13.4
123.04454	1.1
123.11723	1.0
123.49098	1.0
125.06052	4.9
129.06967	1.1
130.07788	1.2
131.08521	1.7
133.10135	3.2
135.08044	2.6
135.11703	54.6
137.05992	2.3
139.07533	2.5
140.04601	1.1
141.35023	1.0
143.08565	2.3
145.10130	30.1
149.05956	3.8
149.09663	2.1
153.12733	1.0
155.08578	1.6
157.10129	1.5
163.11200	70.5
167.07065	19.7
171.11665	1.4
177.05521	6.8
181.12265	15.0
183.11597	1.3
184.05206	1.5
185.09613	1.5
191.14310	1.8
199.07512	1.4
199.11069	1.5
201.25330	1.1
209.08072	1.5
209.11745	2.5
209.15309	2.0
210.17694	1.0
212.04718	1.7
227.06857	5.3
227.10854	4.2
227.12778	100.0
227.17712	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	227.1641
Annotation	Blumenol B
Peak:m/z	Relative Intensity
50.93007	2.0
55.05513	8.3
57.03430	4.9
57.07069	5.5
57.57945	1.9
59.04991	3.9
62.02712	1.9
62.11312	1.6
67.05522	12.6
69.03420	6.7
69.07070	15.6
70.92561	4.1
71.04989	18.6
71.62215	1.8
75.04504	2.8
79.05495	10.3
81.07066	27.3
83.04991	5.2
83.08624	6.2
85.06552	9.5
87.04472	9.9
91.05491	6.1
93.07049	34.2
95.04975	100.0
95.08607	19.3
97.06532	23.2
97.10160	2.2
99.04469	22.9
99.08095	21.4
100.11237	3.8
104.46437	2.1
105.07036	15.7
107.08602	21.9
109.06529	13.2
109.10160	12.8
111.08098	6.3
111.11710	2.6
113.09658	1.8
115.07576	7.9
117.07035	1.7
119.08596	8.9
121.06510	2.3
121.10146	53.7
123.08069	3.5
123.11710	41.8
125.05981	1.9
125.09661	9.5
127.07590	10.5
130.12059	1.8
131.08569	7.7
133.10143	26.8
135.08073	6.7
135.11707	7.4
137.09671	3.0
139.11143	11.3
143.10683	2.5
145.10165	2.7
147.11665	9.2
149.09618	18.4
149.13248	13.5
151.11182	19.2
153.09081	35.2
153.12773	4.6
158.10880	2.3
161.13202	2.5
163.14845	7.2
165.12779	5.0
167.07068	6.0
167.10686	47.4
167.12103	2.4
167.14296	1.9
171.10199	8.0
173.13251	14.7
177.05467	2.6
191.14284	20.3
204.66107	1.9
209.15363	31.7
227.07056	2.4
227.10690	2.1
227.16420	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01873	1.9
55.05508	3.1
57.03444	6.3
57.07083	1.3
59.05002	1.2
65.03934	1.4
67.05505	3.4
69.03448	1.3
69.07067	4.9
69.73019	3.1
71.04990	8.4
73.02923	0.9
75.04494	3.0
78.04715	2.4
79.05499	5.2
81.03459	0.6
81.07064	7.8
83.04981	2.3
83.08637	2.5
85.06540	2.7
86.09703	2.1
87.04509	0.7
89.03929	0.8
91.05484	8.3
91.15167	0.7
93.03418	1.0
93.07046	9.7
94.04152	0.7
95.04970	100.0
95.08602	6.3
96.05293	0.8
97.06530	15.7
97.10153	1.5
99.03853	1.0
99.04461	15.2
99.08093	10.1
99.08688	1.0
100.11259	6.8
103.05460	6.0
105.03436	0.9
105.04539	0.7
105.07023	4.4
106.04169	1.8
107.04961	3.2
107.08600	8.2
109.06527	13.3
109.10158	7.3
111.04455	0.8
111.08072	2.1
112.11293	0.5
115.07565	4.8
117.03372	1.4
119.04936	1.2
119.08591	4.6
121.06519	12.3
121.10163	9.2
122.03697	1.0
123.04434	6.6
123.08048	1.4
123.11738	2.9
124.05215	2.4
125.05952	1.8
125.09641	1.6
127.07555	3.8
131.04933	5.5
131.08563	2.8
133.02808	1.0
133.10133	15.7
134.03618	1.1
135.04445	1.4
135.08041	2.3
135.11688	2.2
137.05986	8.4
139.11191	4.4
140.04681	3.7
143.10669	1.0
145.02820	1.5
145.10126	2.1
147.04477	0.9
147.11681	2.5
148.05164	2.3
149.05980	13.8
149.09601	1.6
149.13242	3.9
151.03909	1.1
151.11194	2.3
152.04640	1.1
153.05551	1.3
153.09109	31.7
153.12730	0.9
155.06996	3.1
159.04431	3.1
159.05540	0.6
163.03877	1.5
163.07593	0.9
163.11218	1.1
163.14803	2.6
165.05415	1.1
165.09212	0.6
165.12753	0.7
167.07042	86.6
170.48201	0.6
171.10219	5.4
173.13275	7.4
176.04755	0.9
177.05470	27.8
181.04942	2.9
181.08528	1.4
184.05215	0.8
191.07018	2.0
191.10677	0.6
191.14317	7.9
194.05759	2.4
195.06519	2.6
199.07384	0.6
209.08080	13.8
209.11731	1.6
209.15334	20.1
215.89027	0.6
227.03497	0.8
227.06976	1.8
227.08842	4.1
227.12860	1.0
227.16301	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03946	3.6
55.01864	2.8
55.05515	27.4
57.03436	6.3
57.07058	8.4
57.95037	2.6
59.04983	9.2
59.63345	2.3
64.09779	2.6
67.05522	16.2
69.03400	10.9
69.06744	2.5
69.07075	32.6
71.01814	2.5
71.05000	23.8
71.51482	3.1
75.04469	4.0
79.05507	14.8
79.17988	2.6
81.07066	48.8
83.04961	9.6
83.08627	20.1
85.06535	10.4
85.52520	2.7
87.04475	23.7
87.48829	2.3
91.05512	15.7
93.06509	4.4
93.07049	62.0
95.04389	5.9
95.04980	100.0
95.08614	36.4
97.06545	29.8
97.10156	4.3
99.04468	28.4
99.08112	21.1
100.11268	32.2
105.07030	27.1
107.08605	41.5
109.06535	20.1
109.10169	23.6
111.04433	5.7
111.08076	7.6
111.11726	5.1
113.05987	5.6
113.09633	3.8
115.07572	8.4
117.07023	3.6
119.08606	18.6
121.06539	5.7
121.10152	80.3
123.08038	9.0
123.11715	82.9
125.09598	12.2
127.07590	14.2
127.11141	2.8
131.08589	14.2
133.10152	35.4
135.08051	11.5
135.11728	16.8
137.09572	8.0
137.13220	8.4
139.07520	3.0
139.11154	10.6
141.11476	9.5
143.10669	3.4
145.10110	6.4
147.11691	18.2
148.21257	2.3
149.09612	35.6
149.13303	20.2
150.47432	2.4
151.11189	37.8
153.09116	36.2
153.12727	7.5
153.60478	2.5
161.13278	6.1
163.14841	14.9
163.64349	8.4
165.12726	7.0
167.06998	9.1
167.08430	4.2
167.09366	4.1
167.10699	78.8
167.14354	4.3
171.10178	13.3
173.13290	31.4
182.15367	6.6
184.05031	2.8
191.14322	32.2
199.18053	3.1
209.15350	44.2
213.17882	18.6
227.10593	7.9
227.16396	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03934	0.7
55.01871	2.0
55.05508	4.2
55.05730	0.6
57.03441	4.5
57.07081	5.3
59.04998	1.6
67.05508	16.2
69.03428	2.7
69.07079	6.6
70.79096	1.8
71.05002	17.6
73.02924	1.6
75.04483	3.3
79.05502	16.2
81.07059	9.3
83.04987	5.6
83.08624	0.8
85.06551	61.5
87.10324	0.9
88.92900	0.7
91.05487	11.0
93.06480	1.5
93.07052	19.9
95.04974	100.0
95.08613	7.9
97.06539	18.3
99.04465	17.5
99.08103	11.2
103.05434	0.9
105.07039	13.7
107.04961	5.3
107.08604	26.8
109.02803	0.8
109.06528	14.9
109.10168	7.6
111.04445	8.2
111.08089	2.0
115.07572	3.8
116.06191	0.8
117.07034	3.2
119.08592	14.8
121.06516	8.6
121.10152	18.3
123.04419	1.6
123.08095	3.0
123.11681	1.9
125.06001	4.3
125.09640	3.3
127.07581	3.9
129.07034	2.2
131.08578	35.6
133.10141	17.9
135.08070	5.4
135.11681	5.2
137.05913	0.7
137.09621	6.1
139.07698	0.7
139.11172	4.7
140.04662	1.6
141.05489	1.1
143.07068	1.0
145.06416	1.6
145.10135	18.5
147.08069	2.8
147.11690	4.8
149.06000	1.1
149.09633	37.3
149.13257	6.2
151.11177	3.8
153.05524	1.4
153.09119	33.6
155.07060	3.1
163.07536	0.9
163.11188	12.7
163.14883	3.0
165.09152	5.3
165.12807	1.1
167.07060	2.2
167.10690	17.9
171.10219	4.7
173.09619	4.7
173.13286	8.4
181.05026	2.7
181.08617	0.7
191.10690	33.6
191.14304	11.5
196.67914	0.7
197.11761	1.5
200.18015	0.8
209.11765	35.3
209.15343	23.0
210.12032	0.9
227.12817	19.0
227.16391	15.6
227.18558	1.3
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
53.03954	1.6
55.05524	4.8
57.07068	3.3
59.05010	1.2
62.03651	0.9
67.05513	4.8
68.89564	0.8
69.03422	1.6
69.07079	15.7
71.21908	1.0
71.38497	0.8
71.38871	1.5
77.66769	0.9
79.05493	6.3
81.07065	27.4
81.37228	1.1
83.04990	1.1
85.06560	1.3
87.04480	11.8
89.23823	0.8
91.05483	4.4
93.07053	34.2
93.37032	1.0
95.04965	4.2
95.08612	10.4
97.06532	3.2
99.08118	1.6
100.92016	0.9
105.07043	10.7
107.04982	1.1
107.08596	4.2
109.06542	3.7
109.10169	1.6
111.11716	3.8
119.08601	5.1
121.06514	1.1
121.10156	64.0
123.08079	3.7
123.11720	60.4
125.09646	1.0
127.11204	0.9
131.08528	1.3
133.07637	1.9
133.10120	2.8
137.09654	1.4
139.11180	4.0
147.11725	8.3
149.08444	1.6
149.09641	28.1
149.13258	1.9
151.11195	28.3
153.09138	3.5
162.19345	1.0
163.14847	1.6
165.12790	5.6
167.10692	100.0
173.13341	1.8
191.14333	3.9
209.15450	5.2
227.16393	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	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.05497	9.8
55.68040	2.5
57.03424	3.4
57.07086	3.6
65.68900	2.5
67.05504	13.0
69.07065	11.3
69.61631	12.4
69.62038	3.8
71.04979	12.0
73.02930	2.5
79.05495	15.3
81.07064	48.6
83.04998	5.6
83.08612	6.5
85.06529	17.0
86.74656	3.3
91.05482	16.9
93.07047	47.1
95.04966	6.7
95.08600	22.7
97.06512	10.4
99.04461	32.0
99.08082	9.8
100.11281	4.1
105.07039	64.2
107.04952	2.9
107.08601	29.0
109.06493	8.3
109.10204	15.4
111.08092	5.1
119.08588	69.3
121.06551	2.8
121.10153	62.7
123.08090	6.3
123.11704	16.6
123.54774	3.2
125.09624	7.2
125.91501	2.6
131.07603	4.3
131.08571	62.7
133.10135	55.5
135.08032	6.7
135.11688	3.1
137.05957	3.2
137.09572	5.4
139.11168	3.0
145.10136	10.3
147.11703	7.3
149.09610	19.5
149.13264	11.1
151.11201	51.4
153.09105	3.9
158.10898	4.0
161.13255	100.0
163.11186	3.9
163.14796	12.3
167.07008	11.6
167.10692	24.2
173.13269	57.8
179.14377	16.8
179.15633	3.2
191.14342	34.3
197.15388	10.5
209.15346	35.7
227.07164	5.8
227.16341	13.0
236.11519	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	229.0708
Annotation	2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate
Peak:m/z	Relative Intensity
53.03952	1.8
65.03936	3.0
67.05508	24.3
68.93129	1.1
69.03450	1.6
70.06605	2.0
70.85440	1.1
70.85750	2.4
71.01357	8.0
79.05498	16.5
81.03413	2.9
81.07061	18.4
81.24786	1.3
82.91576	1.1
86.09689	2.3
91.05483	61.2
93.03391	2.9
93.07040	13.1
95.04980	14.6
98.97598	6.4
99.00838	1.2
103.05455	6.3
105.07053	7.5
107.04995	1.5
109.02859	7.6
109.06520	12.9
116.07101	3.8
116.92416	1.1
116.98689	1.3
119.04946	100.0
121.06503	19.7
123.04443	3.9
123.08089	3.7
133.06506	3.6
137.05983	40.4
141.05481	2.6
147.04416	75.5
149.05980	10.9
151.07506	2.1
155.07085	1.3
158.99625	2.9
161.06049	1.6
165.05492	56.3
165.09166	2.5
167.07040	7.1
175.03886	6.9
177.00633	1.2
179.05650	1.3
179.07089	5.0
183.06543	47.1
183.10120	1.9
193.04977	26.8
211.06032	41.4
211.09386	5.7
229.07025	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	229.0708
Annotation	2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate
Peak:m/z	Relative Intensity
51.91209	1.0
53.03958	1.6
55.01865	1.7
57.92940	1.0
60.58141	1.2
65.03923	1.7
67.05510	25.2
71.01358	7.2
71.09715	1.3
71.10029	1.7
77.91235	1.3
79.05502	13.8
81.03406	3.0
81.07061	15.9
83.05016	1.4
86.09682	2.2
88.02780	0.9
91.05487	59.2
93.03389	2.0
93.07053	10.4
95.04969	11.6
98.55712	1.0
103.05447	5.0
105.03387	1.3
105.07021	4.1
109.02890	5.7
109.06516	13.0
116.07085	2.8
118.76321	1.0
119.04951	100.0
120.32551	1.2
121.06514	18.4
123.04422	4.8
123.08051	1.4
129.72066	1.1
133.06445	1.7
137.05981	36.7
141.05463	1.4
147.04416	78.0
149.06009	9.9
151.07533	1.6
165.05478	58.4
165.09126	2.4
167.07033	6.9
168.51755	1.0
175.03911	9.0
183.06544	41.9
193.03345	1.5
193.04990	24.1
211.06036	36.3
211.09367	1.6
229.07053	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	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
51.38449	1.7
52.68971	1.5
55.05502	7.3
57.03443	22.8
57.07069	2.7
59.04995	3.9
59.11504	1.4
65.03927	2.6
67.05508	100.0
69.07061	2.0
70.64311	3.0
70.64653	2.1
71.04993	3.1
81.07059	13.7
83.08635	8.7
85.06529	4.3
87.96661	1.5
91.05482	5.8
93.07051	3.0
95.08633	7.9
99.00744	1.5
102.74097	1.6
107.08574	2.9
109.10161	91.5
110.10471	2.1
111.08080	3.2
119.08562	6.4
137.09570	4.6
155.10658	6.5
173.11731	35.9
187.14915	1.6
229.14319	43.9
229.19489	4.0
229.23502	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	229.1436
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
54.57772	3.1
55.01870	13.0
55.05515	18.7
55.05738	3.2
57.03434	6.6
57.07074	4.3
59.01311	3.3
66.68550	3.6
67.05513	42.9
69.07084	19.9
71.04973	5.7
79.05501	16.7
81.07064	94.3
83.04964	6.9
83.08608	13.8
85.06541	8.6
91.05468	26.6
93.07043	13.8
95.04974	7.3
95.08624	20.3
97.06540	8.2
99.00820	5.6
99.08100	4.6
105.07056	38.3
107.08601	17.7
109.06514	9.4
109.10158	18.8
111.63184	5.4
117.07014	5.2
119.04971	5.3
119.08593	32.9
121.10164	28.2
123.08054	5.0
123.11703	36.9
129.07024	8.5
131.08556	10.9
133.10123	8.6
137.25150	3.7
143.08612	3.4
145.06461	5.9
145.10138	16.4
147.11707	100.0
155.08476	4.5
157.10159	13.0
159.08017	4.0
159.11652	11.7
165.11435	4.4
165.12779	53.3
169.06410	3.6
169.10106	6.7
173.09636	8.2
173.11807	4.7
173.13316	6.7
175.11192	15.1
183.11688	4.1
183.13704	4.9
187.14801	4.8
193.12282	13.9
201.09158	4.0
211.07613	6.3
211.14842	3.8
213.89449	3.2
229.04976	7.2
229.08534	12.0
229.12247	13.3
229.14346	45.3
229.16238	7.9
229.19484	16.4
229.23587	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05518	13.0
56.82824	1.3
57.03440	20.1
57.07081	1.5
59.04994	4.8
62.80822	1.2
63.63284	1.3
65.03917	1.4
67.05508	100.0
69.07062	3.1
71.05003	3.9
71.52438	2.0
79.05512	3.0
81.07063	14.3
83.08636	9.4
85.06555	2.7
91.05468	4.8
91.10844	1.6
93.07063	4.6
95.08605	9.3
107.08590	2.2
109.10164	97.3
111.08134	3.5
117.07018	1.6
119.08608	9.9
125.05997	1.5
132.42235	1.4
133.10158	1.3
137.09604	5.2
145.10155	1.5
155.08586	1.9
155.10654	6.8
159.11650	1.8
173.09622	1.8
173.10156	1.8
173.11755	28.7
173.13190	2.7
177.31934	1.4
196.62617	1.7
229.04877	1.8
229.12291	1.6
229.14275	41.3
229.19527	5.9
229.23415	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	229.1549
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
50.17146	0.6
54.28329	0.6
55.01860	1.3
56.01414	0.5
56.96309	1.0
56.96564	13.8
57.03420	1.6
58.06599	5.4
59.07375	1.3
60.08165	7.8
61.02899	1.7
67.05491	1.3
68.05009	0.8
69.03412	2.3
69.89368	2.5
70.06594	33.8
70.98106	2.4
71.95238	1.1
72.08140	1.2
73.02917	3.8
73.38392	0.5
74.49837	0.5
79.05499	2.9
81.03406	1.2
81.07050	3.2
81.65603	0.5
82.07391	0.6
84.08123	1.5
84.96020	1.5
85.02914	3.6
86.06882	0.6
89.00823	0.6
91.05479	6.9
92.05788	0.6
93.07037	1.1
95.04970	0.8
95.08601	1.1
96.08106	0.9
97.02895	3.5
97.96767	0.8
98.06034	0.8
98.97585	38.6
101.00851	1.9
101.73347	0.5
103.05460	0.8
105.07019	2.0
107.04916	0.6
109.02869	1.1
109.06531	2.8
110.01265	0.6
110.97562	4.0
112.99138	0.9
114.05534	3.9
114.09140	1.6
115.02386	0.7
116.07108	1.3
116.98626	10.1
119.01839	3.1
119.04955	7.3
121.06475	2.1
122.03602	1.0
123.04427	0.6
123.08022	0.7
124.07593	3.2
124.99090	1.0
126.09119	0.9
127.03900	0.9
128.02322	0.9
128.98590	2.1
129.92459	0.5
133.01620	0.9
133.06465	1.4
134.99625	1.9
135.08029	0.7
137.05984	13.3
138.06294	1.3
140.00168	0.8
140.98569	0.6
142.08636	30.7
143.00070	0.8
145.01651	0.8
146.02159	0.6
146.91849	0.7
146.99649	1.3
147.03244	1.0
147.04399	9.8
148.03828	1.7
148.04840	1.2
149.06030	0.8
151.07585	0.7
155.08495	0.5
158.04826	0.6
158.99689	8.6
160.01970	1.0
161.01242	0.8
161.05936	1.3
165.05502	1.9
168.01857	1.2
168.52003	1.5
170.08130	1.8
170.99628	1.4
172.97562	0.8
174.03293	0.7
175.02675	0.9
175.04510	0.8
177.00766	4.4
177.02194	1.0
177.52415	0.9
178.03902	0.9
179.07037	7.6
180.07381	1.4
183.06519	1.1
184.03183	0.9
186.99074	0.6
187.02829	1.2
187.04453	3.9
187.54552	0.7
189.00671	1.0
190.03139	0.6
193.04933	1.0
196.04881	0.7
199.04362	1.5
199.54520	0.7
201.00748	0.9
205.00105	1.0
206.06996	1.3
208.04964	8.0
208.55116	1.2
210.53003	0.6
211.02769	1.3
211.05957	1.1
217.05406	6.7
217.55774	1.2
219.01759	2.3
220.04044	0.8
220.05995	0.9
224.08067	1.3
229.03848	1.3
229.15477	100.0
230.06984	0.8
230.15791	0.9
235.02812	1.6
237.02751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17420	1.7
55.01849	3.3
55.05518	13.7
57.03433	6.1
57.07059	6.3
59.04992	4.4
61.16121	1.9
65.03951	2.4
67.05190	2.2
67.05512	34.2
69.03428	18.2
69.07071	15.0
70.06596	4.1
70.73447	3.8
70.73792	2.9
71.04979	7.5
73.19386	1.7
78.04693	2.9
79.05500	18.0
79.29495	2.0
81.03403	1.7
81.07063	48.3
83.01401	1.7
83.04970	7.5
83.08632	9.3
84.11567	1.6
85.02882	1.9
85.06546	22.4
86.06938	1.7
86.09677	5.4
91.05486	20.3
93.06487	3.3
93.07046	38.6
94.07378	2.8
95.01345	2.2
95.04963	4.9
95.08607	38.9
97.02892	2.9
97.06532	5.7
97.10153	2.5
97.49696	1.9
99.00788	1.8
99.04438	2.2
99.08094	24.7
100.11238	7.3
103.05489	2.7
105.07041	28.7
107.04937	2.9
107.08601	60.2
108.08908	3.1
109.02890	2.5
109.06505	6.1
109.10162	40.3
111.08082	9.2
117.06995	2.8
119.04916	5.6
119.08596	43.0
121.06489	4.6
121.10159	24.3
122.10459	3.0
123.04427	7.6
123.08063	3.7
123.10863	4.0
123.11691	16.5
125.08784	3.0
125.09640	42.0
128.06174	2.1
129.07005	3.1
131.08479	3.8
133.10141	34.1
135.10718	3.7
135.11702	43.9
137.09654	5.5
139.07509	2.4
139.11151	3.9
141.06992	2.8
145.06432	1.9
145.10121	3.2
147.04332	3.0
147.11656	8.0
147.61926	1.8
149.05975	2.7
149.09645	3.2
149.13200	5.2
150.09924	3.0
151.03862	2.9
151.10139	2.1
151.11186	4.6
153.12724	3.1
155.08597	3.6
155.10675	8.5
161.71638	1.7
163.14832	100.0
165.06969	2.4
167.07054	96.5
172.08769	1.8
173.11768	5.2
173.13228	2.9
173.16489	4.3
175.14873	50.3
176.89296	1.7
181.08415	1.8
181.15866	10.3
182.55394	1.7
183.08038	3.9
183.11620	3.6
193.08665	3.0
193.12247	2.4
193.15997	21.9
199.07413	2.0
199.16954	1.7
201.09109	2.8
201.12508	3.6
209.15411	2.1
211.05855	2.4
211.13892	1.6
211.17082	33.7
229.04956	5.0
229.08559	12.5
229.12282	4.3
229.14224	6.1
229.15987	4.1
229.17946	4.0
229.23598	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	230.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98656	0.5
56.39296	0.4
56.96568	25.9
59.28704	0.4
63.82141	0.4
68.23261	0.4
69.83400	1.6
70.06589	1.2
70.98140	0.7
71.06924	0.6
71.95260	2.8
72.08140	0.6
72.96057	2.3
73.02948	0.5
74.97611	0.5
83.05042	0.4
83.97641	1.2
84.08127	0.5
84.96026	1.5
85.02882	0.4
86.09711	3.3
91.05475	0.4
97.02965	0.3
98.97589	100.0
107.04974	0.4
109.06525	0.5
110.97575	1.1
116.00256	1.8
116.98629	34.7
119.01923	0.4
124.00702	0.6
126.02303	1.5
128.98616	0.7
134.01271	1.3
134.99672	7.5
137.05968	1.3
140.00244	0.6
140.03842	2.6
140.98537	0.6
142.05453	2.1
142.08624	0.4
143.00163	0.4
143.08943	0.6
143.98355	0.3
146.99751	0.5
147.03365	0.3
148.03830	0.4
148.53795	0.3
153.02260	0.8
158.04933	2.4
158.99664	1.0
160.06499	2.7
163.03943	0.6
167.40504	0.3
170.04878	1.6
170.99660	0.4
171.03305	3.4
178.07512	0.7
188.05986	2.3
189.00682	0.9
189.04347	8.9
202.07495	1.1
206.07011	8.5
207.01851	0.5
207.05440	3.2
212.05925	1.2
213.04346	0.5
215.04062	0.5
224.08063	6.6
230.07008	16.9
230.09317	0.8
230.15834	4.3
231.05464	1.9
248.08073	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03719	1.6
53.03947	22.4
54.84214	1.0
54.84542	1.4
55.01865	2.7
55.05505	5.4
57.03438	6.6
61.02934	1.6
63.84134	1.1
67.05515	5.3
68.78413	1.0
68.99789	3.7
69.03433	100.0
69.07069	5.7
69.68684	4.6
71.04993	24.1
72.45475	1.2
76.95904	1.1
79.05495	2.5
79.66397	1.0
81.03419	50.4
81.07066	7.2
83.04974	2.7
83.08629	5.3
85.02905	47.1
87.00827	26.6
87.04458	1.1
93.07040	3.9
95.08597	4.8
97.02891	9.7
97.06536	6.3
97.10149	3.0
98.97593	5.8
99.04456	47.9
105.01888	2.9
105.07067	1.3
107.08576	3.1
109.02890	26.1
109.10154	1.6
112.99125	1.3
116.98620	1.8
119.08616	1.3
127.03925	50.2
128.18193	1.1
133.10123	1.8
135.11664	4.6
145.04935	2.5
149.13266	3.4
155.63722	1.1
158.99684	2.4
159.11673	3.4
162.01826	1.4
167.14320	1.9
171.02463	1.3
173.01190	2.2
177.12747	2.9
195.13815	5.2
196.66359	1.2
203.08714	1.4
213.03932	16.3
213.14790	9.2
231.04965	11.8
231.08078	1.3
231.10130	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	231.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.7
55.01868	2.2
55.05510	2.9
57.03439	2.8
61.02928	1.6
68.99791	2.9
69.03434	100.0
69.07075	2.2
69.88846	1.0
71.04999	7.3
71.81391	1.1
79.05477	1.4
81.03425	45.0
81.07036	2.3
82.03748	1.1
83.08634	1.5
83.60960	1.0
85.02914	45.9
87.00835	20.2
91.05495	3.3
93.07066	2.7
95.08614	2.9
97.02900	25.5
99.03856	1.6
99.04463	24.7
103.05482	1.0
105.01899	2.3
105.07040	4.1
107.08596	2.3
109.02890	19.5
109.10155	1.5
115.05505	1.1
117.07044	2.6
119.08588	6.4
121.10182	1.8
123.04419	1.2
127.03928	32.4
128.06253	1.1
129.06996	3.1
130.07831	1.1
131.08580	4.4
133.10153	3.0
142.07788	2.0
143.08569	3.8
145.04994	2.5
145.06516	2.1
145.10129	5.3
147.08057	1.7
147.11621	1.9
157.06511	2.4
157.10136	5.2
158.07245	1.2
159.11702	1.7
161.09644	3.3
170.07335	1.7
171.11723	3.5
172.08826	1.4
173.06017	2.2
173.09641	3.2
175.07549	1.2
185.09645	2.6
185.13304	2.8
187.07599	1.4
187.14775	1.3
188.08330	2.9
189.05516	1.8
199.03946	1.4
201.09123	7.7
202.07799	4.1
203.08598	10.2
203.10561	1.8
213.03807	1.9
213.09143	1.8
213.12697	1.5
213.16364	1.9
231.05002	5.0
231.08076	19.3
231.10239	12.3
231.13855	4.6
231.17436	23.5
231.21121	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1016
Annotation	Aucuparin
Peak:m/z	Relative Intensity
50.67993	0.4
53.08989	0.4
55.01875	5.0
56.74775	0.4
69.85716	0.8
69.86126	1.3
91.05494	0.7
95.04999	1.5
115.05427	2.6
117.07033	1.9
128.06224	7.1
129.06053	0.7
129.07018	12.1
130.07822	2.6
131.04948	0.5
131.08560	2.4
138.06808	0.7
140.06273	0.6
141.06993	4.0
142.07790	2.4
143.04930	1.0
143.08565	6.9
144.05722	1.7
144.09303	0.6
145.06497	13.3
146.55635	0.4
153.06970	0.4
155.04910	1.1
155.06047	0.7
156.05690	4.1
157.06500	22.8
158.07291	14.6
159.08066	8.6
160.05191	0.6
160.08821	2.3
161.05966	0.7
168.05736	1.4
169.06490	3.0
169.07664	0.9
170.07304	6.2
171.04533	0.7
171.08058	10.9
172.05537	0.9
172.08841	43.7
173.05994	35.5
173.07558	0.9
173.09380	2.0
174.06708	1.3
175.07532	1.0
177.09091	0.7
182.07219	0.6
183.08080	0.6
184.05212	0.9
185.05998	3.5
186.06761	5.5
187.07558	14.1
188.08331	71.9
189.09119	3.3
197.05986	0.5
198.06735	2.4
199.07509	2.2
200.06570	0.7
200.08337	8.0
201.05533	4.1
201.09113	50.5
202.07768	6.0
202.09836	2.8
203.08566	7.9
203.10645	46.7
213.09102	5.4
215.06972	0.8
216.07832	14.2
231.08005	21.9
231.10141	100.0
232.08647	0.7
232.10696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1016
Annotation	Aucuparin
Peak:m/z	Relative Intensity
53.03942	0.8
55.01873	6.8
55.87004	0.5
68.48856	0.5
69.03432	6.9
71.18838	1.2
79.36538	0.5
81.03423	3.1
85.02927	3.1
87.00844	1.2
91.05480	1.1
95.04968	1.7
97.02902	1.4
99.04474	1.5
105.06998	0.6
109.02879	1.6
109.23090	0.5
112.50610	0.5
115.05452	2.4
116.06227	0.8
117.07018	2.2
127.03898	1.8
128.06221	7.7
129.07011	13.4
129.07942	1.2
130.07761	2.1
131.08586	3.0
138.06848	0.6
140.06155	0.7
141.06979	5.1
142.07788	2.6
143.04916	1.0
143.08572	6.6
144.05704	2.2
144.09351	0.9
145.06477	14.2
145.10104	0.8
155.04913	1.8
155.06068	0.9
156.05698	4.5
157.06490	24.4
157.07777	1.2
157.10097	1.1
158.07275	14.2
159.08052	8.4
160.08876	2.1
161.05922	1.0
168.05760	1.3
169.06471	3.5
169.07697	0.9
170.07269	6.1
171.04454	0.9
171.08061	12.6
172.08835	46.7
173.05988	37.3
173.09569	2.3
174.06726	1.5
175.07512	1.5
183.08145	0.8
184.05150	1.3
185.06029	3.3
186.06706	4.8
187.07539	13.4
188.08322	74.9
189.09093	4.0
198.06726	2.8
199.07541	1.8
200.08298	7.4
201.05450	4.2
201.09105	53.5
202.07753	1.8
202.09798	1.9
203.08640	3.3
203.10654	48.8
213.09146	5.4
216.07834	15.4
216.09950	0.7
231.08054	10.3
231.10147	100.0
232.10648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
50.84962	0.2
53.03944	0.7
55.01867	0.3
55.05515	9.7
56.05034	0.2
57.05819	1.0
63.27134	0.2
67.05496	0.3
68.99791	0.4
69.03437	4.7
69.83810	0.9
71.05003	0.4
72.08160	100.0
73.08489	0.2
79.49602	0.2
81.03424	2.5
81.07046	0.2
85.02914	2.4
86.09714	4.5
87.00816	1.0
91.05468	0.3
97.02898	0.9
97.06541	0.2
99.04469	1.5
109.02883	0.9
119.60703	0.2
127.03923	1.8
129.07022	0.2
132.09242	0.3
132.10220	4.4
140.70795	0.2
145.05000	0.3
147.04391	0.5
157.06581	0.3
157.10129	0.2
163.03938	0.3
168.09344	0.2
185.06064	0.3
185.16536	1.1
203.07001	0.2
213.04013	0.3
231.02930	0.5
231.04799	0.3
231.06683	0.7
231.17039	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	231.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66322	0.6
55.05512	4.2
57.07078	0.8
61.04811	0.7
62.12447	0.8
67.05511	11.9
69.06787	0.7
69.07072	7.2
69.17474	2.1
69.17896	6.3
69.25586	0.9
70.78262	0.7
79.05502	5.0
81.07058	16.1
83.08613	3.1
84.78030	0.7
91.05476	5.1
93.07050	14.7
95.08612	41.9
97.10139	1.2
105.07043	10.6
107.08598	20.3
107.76919	0.7
109.10170	22.6
111.11686	0.8
119.08584	7.8
121.10151	21.9
123.11717	21.1
131.08600	1.0
133.10152	7.2
135.11694	25.9
135.27786	0.7
137.13281	4.0
145.10155	0.9
147.11708	8.6
148.06673	0.8
149.13257	12.7
159.11720	0.8
161.13258	12.4
163.14763	0.9
172.08836	1.1
173.13327	1.0
175.14848	12.5
188.08357	1.4
189.16394	10.1
203.10689	1.2
231.10191	1.9
231.21089	100.0
232.21376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50935	10.5
55.30849	9.8
56.96574	100.0
59.49917	10.2
69.29873	88.2
69.30272	17.7
73.02911	12.0
82.12620	9.8
82.99873	10.1
84.08123	13.0
84.96066	9.8
86.40459	11.2
98.21558	21.5
98.97583	56.4
100.99165	33.4
101.00872	43.2
110.97579	24.6
119.01888	25.0
128.98615	16.3
135.01186	11.7
143.01930	73.5
146.99646	16.5
158.99678	12.7
161.02945	72.6
172.97562	20.0
190.98628	38.6
196.67743	11.1
208.99731	35.2
219.01711	11.9
231.74458	10.3
233.04196	26.1
233.06329	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0811
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
51.02400	0.9
53.03938	3.1
55.01635	1.4
55.01880	17.3
57.03434	1.0
57.43460	1.0
65.03928	2.1
67.05511	2.5
68.99789	4.6
69.03439	14.4
69.07076	1.4
69.44028	7.2
71.01345	1.1
72.08168	1.3
79.05504	16.2
81.03430	5.2
81.07047	2.3
83.01350	4.5
83.04974	4.1
84.08120	1.6
85.02900	4.2
86.09702	1.5
91.05490	21.9
93.07046	4.4
95.04983	6.6
97.02904	14.4
98.21533	1.9
99.09731	0.9
99.41491	1.2
103.05487	7.0
104.40556	1.1
105.04490	1.7
105.07041	11.6
107.04967	18.7
107.08583	1.4
109.02879	3.3
109.06526	5.0
111.04442	2.3
115.05471	14.0
116.06252	5.2
117.07015	9.1
119.04971	5.0
119.08598	3.4
121.02859	3.7
121.06503	7.6
123.04481	6.1
127.03912	3.8
128.06233	22.8
129.07021	9.8
131.04958	10.0
131.08589	20.0
132.05682	1.7
133.06511	21.6
133.10165	1.6
135.04420	5.5
135.08095	5.1
136.05191	3.3
136.06207	1.5
137.02335	3.6
137.05989	26.8
141.07013	19.8
142.37006	1.0
143.05000	1.4
143.08620	4.8
144.05717	15.1
145.06519	11.4
145.10146	1.1
146.07130	1.4
147.04436	6.8
147.08041	4.0
149.06006	16.5
149.09653	2.0
151.07610	1.4
152.06232	5.4
153.06981	4.8
155.06006	2.7
157.06499	3.1
158.07181	1.8
159.04442	2.4
159.08075	26.0
159.11717	2.2
160.05208	2.0
161.06007	9.1
161.09634	4.5
162.06775	1.2
163.03952	3.0
163.07542	6.3
165.05504	3.4
169.06476	6.8
169.07683	2.2
171.08067	3.4
173.05989	10.6
173.09691	1.2
174.06766	4.0
175.07561	3.4
177.05443	4.1
177.09125	3.6
185.06030	1.9
186.06740	3.7
187.03976	1.7
187.07567	60.1
187.11122	2.1
189.05475	8.7
189.09148	5.2
191.07060	7.5
197.06015	4.0
203.07030	2.5
205.08620	18.1
215.07050	58.0
215.10498	2.0
215.14264	1.5
216.91333	1.1
233.08101	100.0
233.11821	3.0
233.15291	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01867	1.6
55.05511	1.5
57.07062	0.7
60.40609	0.9
66.96655	0.8
67.05502	2.0
68.99811	1.3
69.03428	3.6
69.07074	6.8
71.05006	1.3
71.26085	1.6
77.03949	0.8
79.05499	14.6
80.30713	0.6
81.07055	3.0
83.04996	1.3
85.06531	0.9
87.00824	0.8
90.60619	0.7
91.05484	11.1
93.07040	8.6
95.04978	5.4
95.08615	1.8
97.06534	11.3
99.04460	3.2
103.05520	0.8
105.04523	1.0
105.06319	1.2
105.07033	21.7
107.04963	16.7
107.08575	4.9
109.06526	2.4
115.05450	2.3
116.06252	0.8
117.07034	11.9
119.04947	6.4
119.08585	10.1
121.06510	11.2
121.10151	2.9
128.06245	2.2
129.07027	4.4
130.07785	6.8
131.04935	1.4
131.08559	7.7
133.06488	2.5
133.10126	2.6
135.04399	1.0
135.08040	3.0
135.11700	3.6
137.05995	7.6
141.07014	1.4
142.07838	0.8
143.08575	4.7
144.09357	1.9
145.06511	4.0
145.10129	56.0
146.07326	1.1
147.04427	1.3
147.08012	2.0
147.11665	5.6
148.08855	2.7
149.05978	1.4
149.09641	0.8
151.54846	0.8
154.07727	1.6
155.06087	0.9
155.08539	0.9
157.06511	1.5
158.07283	3.3
159.08072	3.6
159.11696	10.0
161.06023	0.8
161.09650	1.2
163.11188	100.0
164.11507	0.9
164.38211	0.8
167.31084	0.7
169.10129	5.2
171.11707	1.2
172.08820	1.9
173.09630	88.1
174.06801	1.5
175.07526	2.8
177.09164	0.7
177.12746	1.0
179.08566	0.9
182.07455	0.8
187.07593	1.5
187.11198	18.6
189.09135	1.8
189.12779	2.0
191.07039	1.2
191.10675	5.7
197.09572	2.9
205.12253	4.6
215.10669	17.6
215.14317	1.3
233.08006	2.1
233.11731	25.6
233.15355	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	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.02376	1.8
53.03938	3.4
55.01863	6.8
55.05507	3.2
58.92809	1.4
60.41179	1.5
65.03922	3.0
66.87964	2.2
67.05509	11.1
69.03431	16.1
69.07059	5.6
69.20575	2.9
69.20993	13.6
71.04980	7.9
79.05499	16.6
81.03440	3.3
81.07064	9.9
83.04989	4.7
85.06535	4.5
91.05482	29.2
93.07059	19.2
95.04990	15.2
95.08609	5.2
97.06525	8.2
98.21552	4.1
99.04460	19.1
99.17032	1.8
103.05486	2.7
105.07037	53.5
107.04958	12.3
107.08601	9.7
109.06551	4.3
109.10137	1.8
111.04411	2.3
115.05428	4.3
117.07022	25.6
119.04951	15.1
119.08601	16.7
121.06515	21.0
121.10154	3.9
125.05932	3.0
128.06203	5.6
129.07024	12.6
130.07809	9.3
131.04916	5.8
131.08577	35.1
133.06490	7.8
133.10172	10.8
135.04372	4.2
135.08023	7.4
135.11723	1.7
137.05945	6.3
141.06992	8.8
142.07751	2.6
143.08553	10.4
144.09344	10.7
145.06506	18.8
145.10129	95.2
146.07140	1.9
147.08009	5.1
147.11670	5.2
149.05981	2.1
153.06998	3.3
154.07793	10.0
155.06068	2.1
155.08545	5.8
156.09334	2.5
157.10156	3.7
158.07248	10.2
159.08102	10.7
159.11700	48.2
161.06042	2.3
161.09589	1.9
163.07532	4.9
163.11172	43.5
169.10115	22.4
171.08109	2.6
171.11670	4.8
172.05202	2.1
172.08813	4.3
173.06056	2.7
173.09630	100.0
175.07527	5.5
177.09157	1.9
177.12695	3.8
179.08603	3.6
182.07339	2.9
187.11185	98.8
189.09117	4.1
189.12727	3.4
191.06871	1.8
191.10655	10.3
197.09619	12.6
205.06497	2.4
205.08398	2.2
205.12236	14.3
215.10683	83.2
215.14070	3.0
233.06047	2.5
233.08018	3.9
233.11723	66.5
233.15443	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	233.1175
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03942	2.7
55.01863	3.0
55.05504	3.1
57.07056	1.4
65.03942	1.8
67.05495	5.4
69.03442	4.6
69.07064	7.1
69.72516	3.0
69.72935	2.0
71.04986	2.9
79.05499	15.7
81.07060	11.2
83.04985	3.0
85.06548	1.2
85.79397	0.9
87.00818	1.3
91.05494	18.0
93.07068	12.4
95.04985	7.7
95.08600	3.7
97.06535	15.2
99.04457	1.8
103.05486	1.2
105.04468	0.9
105.07040	24.6
107.04962	15.8
107.08594	7.0
109.06518	5.9
109.36043	1.0
111.08086	3.1
113.06024	5.4
115.05439	2.4
117.07027	13.8
119.04952	47.4
119.08593	12.7
121.06522	13.4
121.10153	3.3
123.08067	3.3
125.05997	1.9
127.07584	1.0
128.06215	3.4
129.06990	6.1
130.07808	8.1
131.04944	1.5
131.08571	13.3
133.06497	2.8
133.10152	11.0
135.04422	1.5
135.08102	5.6
135.11703	13.0
137.05981	9.6
141.06996	4.3
142.07759	1.8
143.08556	7.9
144.05731	2.1
144.09308	2.7
145.06480	7.4
145.10139	60.5
146.07259	0.9
147.04422	1.1
147.08052	3.1
147.11676	10.3
148.08807	2.8
149.06027	1.3
149.09584	5.3
151.07565	2.0
153.06973	2.5
154.07779	3.2
155.08556	3.0
156.09364	1.0
157.06514	2.3
157.10176	2.4
158.07283	5.4
159.08089	9.1
159.11711	15.6
160.08836	1.7
161.05942	1.3
161.09621	2.0
161.87259	0.9
162.06798	0.9
163.07538	3.1
163.11194	53.1
169.06471	1.7
169.10150	7.1
171.08049	3.3
171.11755	1.5
172.08853	6.3
173.06114	5.1
173.09637	100.0
173.13223	4.0
174.06795	1.7
174.10455	2.4
175.07549	3.9
175.11223	4.8
177.09073	2.1
177.12811	1.0
179.08675	1.6
182.10965	1.1
184.08846	3.2
185.06023	1.6
187.07506	1.1
187.11188	25.1
187.14854	3.2
188.08348	13.8
189.09120	3.1
189.12766	4.4
191.10693	5.1
197.09663	5.1
197.13353	1.5
200.08249	2.7
202.09860	1.3
203.10646	9.8
205.12303	7.7
205.14046	1.3
215.10689	29.6
215.14035	5.7
233.07999	2.7
233.11752	61.5
233.15334	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	233.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73952	0.4
53.03956	1.9
55.01880	2.0
55.05519	2.9
57.03443	0.6
57.07087	0.7
65.03947	0.9
67.05512	4.1
68.99799	0.9
69.03437	3.8
69.07079	6.8
70.72749	1.2
71.05006	1.6
79.05499	14.5
81.03416	0.8
81.07059	4.9
83.04998	2.4
85.02953	0.5
85.06549	1.4
87.00832	1.3
91.05490	12.6
93.07057	10.0
95.04985	5.3
95.08618	2.5
97.06539	11.2
99.04461	2.2
103.05495	1.6
105.04535	0.7
105.07043	22.7
107.04968	17.8
107.08607	7.3
109.06541	3.0
109.10152	0.8
111.04501	0.6
111.08102	2.0
113.06011	2.8
115.03936	0.5
115.05446	2.3
116.06234	1.0
117.07026	12.4
119.04957	11.7
119.08598	9.0
121.06525	11.4
121.10171	3.8
123.04443	0.7
123.08075	1.6
125.06010	0.9
128.06248	1.9
129.06990	3.9
130.07800	7.4
131.04944	1.1
131.08583	10.2
133.06509	2.9
133.10153	6.5
135.04431	0.8
135.08058	4.1
135.11713	8.4
137.05994	8.3
139.07504	0.7
141.07007	1.9
142.07837	0.9
143.08562	5.1
144.09351	1.6
145.06483	4.3
145.10139	55.6
147.04413	0.8
147.08044	3.4
147.11710	6.9
148.08829	3.7
149.06001	1.8
149.09651	2.0
149.13293	0.7
151.07625	0.6
153.06969	0.7
154.07834	1.8
155.06065	0.5
155.08607	1.2
156.09352	1.0
157.06544	0.7
157.10112	1.6
158.07309	4.3
158.10918	0.5
159.08101	4.8
159.11705	11.7
160.05176	0.5
161.05989	0.7
161.09644	1.1
161.13258	0.7
163.11198	100.0
164.11496	0.6
165.09155	0.5
166.21365	0.6
167.08495	0.6
168.05670	0.5
169.10155	6.1
171.08081	1.1
171.11678	1.2
172.08844	1.6
173.06055	1.6
173.09641	86.9
173.13280	2.4
174.06802	0.6
174.10130	0.6
175.07559	2.0
175.11208	2.5
177.09204	0.5
177.12741	1.0
179.08548	1.1
182.07263	1.1
182.10878	1.1
187.07497	0.6
187.11195	19.2
187.14752	2.3
188.08342	0.9
189.09126	1.9
189.12755	3.0
191.07039	1.3
191.10693	6.2
197.09657	3.0
200.08385	0.6
203.10698	1.5
205.08757	0.6
205.12253	5.0
205.15846	0.7
215.10712	19.2
215.14020	2.9
233.08044	1.7
233.11740	27.6
233.15381	15.0
233.18948	0.7
233.23102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03936	2.9
55.01857	4.4
55.05507	2.1
56.54643	1.2
57.88142	1.2
63.03728	1.1
67.05508	7.5
69.03429	6.6
69.07069	11.0
69.59902	8.7
71.04974	2.2
73.52865	1.4
76.60295	1.1
78.64703	1.2
79.05082	1.4
79.05495	21.2
81.07071	7.1
83.04969	2.2
84.08052	1.3
91.05482	20.9
93.07069	10.9
95.04958	11.4
95.08597	3.8
97.05927	1.9
97.06532	35.3
98.21534	1.3
99.04436	4.3
103.05416	3.2
105.07041	23.6
107.04962	21.9
107.08570	7.0
109.06491	4.2
109.10164	1.9
115.05423	3.7
117.06264	1.4
117.07014	17.3
119.04123	1.9
119.04945	26.6
119.07829	1.9
119.08585	24.3
121.06518	12.4
121.10110	4.7
128.06195	2.5
129.07028	9.2
130.07846	6.5
131.04875	1.5
131.08537	10.7
133.06511	6.2
133.10086	4.5
135.08017	5.3
135.11658	4.4
137.06004	26.6
141.06978	2.3
143.08554	7.5
144.09320	3.1
145.06499	8.1
145.10126	62.5
147.04376	3.1
147.08020	3.2
147.11646	5.7
148.08794	3.1
149.05988	2.3
149.09576	2.6
154.07776	1.9
155.08537	2.8
157.06386	2.6
158.07256	5.2
159.08075	6.7
159.11688	17.3
160.05080	2.0
161.09477	1.6
163.07536	3.0
163.11189	100.0
163.52205	1.3
169.10144	9.5
170.49371	1.5
171.07938	1.3
171.11613	2.4
172.08794	1.8
173.09634	90.5
173.13216	2.8
174.06737	3.9
175.07521	7.6
187.07547	3.1
187.11172	29.6
187.14742	2.1
189.09041	6.0
189.12683	4.4
191.07005	5.5
191.10641	5.8
197.09537	4.4
197.13246	1.9
205.06404	4.4
205.12260	7.2
215.10684	29.5
215.14253	3.7
218.07249	1.9
233.05856	4.4
233.08008	4.4
233.09622	4.5
233.11693	41.4
233.15250	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	233.1496
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.01877	1.1
55.05520	1.2
56.05037	15.8
56.96568	5.0
57.03437	3.4
57.07076	0.5
57.84393	0.4
58.06598	3.7
67.05509	1.0
69.03435	2.3
69.07063	0.7
70.03754	0.4
70.06601	0.7
71.01343	0.5
71.51713	0.4
72.04532	0.7
72.08164	1.1
73.02924	2.5
74.06080	100.0
75.04474	0.9
78.17868	0.4
79.05508	1.9
81.03419	1.3
81.07053	0.9
83.04976	1.1
84.04507	3.5
84.08164	1.1
84.96013	0.5
85.02911	2.9
86.09708	23.2
91.05501	2.5
93.07059	1.2
95.01354	0.6
95.04981	1.2
95.08594	0.7
97.02898	1.5
98.97590	5.1
101.07151	1.9
103.05441	0.7
105.03329	0.4
105.07023	1.4
107.04947	1.3
107.08609	0.6
109.02844	0.5
109.06541	0.7
110.97620	1.0
111.04443	0.6
112.14440	0.4
112.87424	0.4
115.05466	1.2
116.06249	0.4
116.98621	1.8
117.07047	2.0
119.04951	1.3
119.08569	0.8
121.06528	1.4
123.08115	0.5
126.12829	0.6
127.03938	0.8
128.06230	1.2
128.98610	0.5
129.07007	1.1
131.04929	1.1
131.08577	1.5
132.10202	17.7
133.06488	1.1
134.08209	0.4
135.08075	0.6
137.05948	1.5
140.98679	0.4
141.06961	0.9
141.76396	0.5
142.12300	0.5
143.08594	0.4
143.11800	0.6
144.05705	1.0
145.06483	2.8
145.10156	0.6
146.07211	0.6
146.99716	0.5
147.03346	0.4
147.04416	1.8
147.08049	0.8
149.05988	1.1
155.04735	2.1
155.07129	0.5
155.54785	0.4
157.06520	1.0
158.99638	1.7
159.04507	0.8
159.08038	2.4
161.04669	1.2
161.06013	1.1
162.05304	0.4
163.03963	0.8
163.07518	1.2
165.05466	0.6
169.06468	0.8
169.10014	0.6
169.13359	2.3
170.99669	0.5
172.05199	0.6
173.05974	2.6
173.08113	0.8
173.09547	0.5
174.06790	1.7
175.07600	0.8
177.00674	1.3
177.05461	0.5
177.09081	1.1
186.99173	0.5
187.07545	3.6
187.11238	0.6
187.14417	10.5
189.00903	0.5
189.05545	1.0
189.09163	1.3
190.98637	0.4
191.07039	0.9
201.05534	0.5
205.08589	1.8
212.06177	1.9
212.56334	0.5
215.07024	2.4
215.10591	1.0
215.13919	5.5
217.10692	0.5
218.05536	0.6
219.01697	0.8
221.06770	0.8
231.01808	0.6
232.57634	0.4
233.04318	1.1
233.08109	9.6
233.11926	1.0
233.14975	15.2
234.11189	0.6
237.02904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Oculatol
Peak:m/z	Relative Intensity
53.03943	1.1
55.01872	1.4
55.05515	5.0
57.03434	1.3
57.07062	3.5
65.03943	1.2
67.05511	6.8
69.03434	5.2
69.07070	9.3
71.04987	2.4
71.18730	1.5
77.03935	1.1
79.05495	17.2
81.07056	7.6
83.04964	3.4
83.08611	1.8
85.02874	1.6
85.06536	3.6
91.05479	17.2
93.07047	10.7
95.01341	1.6
95.04974	5.6
95.08628	7.5
97.06535	16.8
99.04517	1.0
103.05440	1.2
105.07033	22.9
107.04962	12.6
107.08591	15.1
109.06521	6.1
109.10137	2.4
111.08096	11.5
113.06013	16.7
115.05439	2.5
117.07027	6.2
119.04950	2.9
119.08578	17.1
120.09515	0.9
121.06512	11.2
121.10142	8.9
123.08064	9.0
125.05949	1.0
125.09631	2.5
128.06215	2.3
129.07030	4.6
130.07787	1.8
131.08572	15.5
133.06490	1.2
133.10136	22.6
135.08063	11.0
135.11697	30.0
135.12733	1.9
137.05984	18.8
137.09590	2.9
141.06979	2.8
142.07803	2.9
143.08571	3.9
144.05707	1.2
145.06467	6.2
145.10123	28.3
146.07249	2.4
147.04399	1.3
147.08067	7.6
147.11684	11.9
148.69786	0.8
149.05998	1.0
149.09628	13.7
149.13275	4.3
153.76778	0.8
155.08533	3.3
156.09344	3.3
157.10167	6.5
158.07285	2.1
158.10910	3.0
159.08044	9.3
159.11688	4.6
160.08789	2.0
161.09596	1.6
163.07585	2.2
163.11162	3.6
163.14798	0.9
165.09100	1.4
167.08588	1.8
169.10120	3.5
171.08102	1.3
171.11699	3.0
173.05998	1.6
173.09648	13.7
173.13264	13.0
175.03946	1.0
175.07587	1.2
175.11195	19.0
177.09114	2.3
182.10933	2.3
185.09506	1.4
187.07538	3.7
187.11174	2.4
187.14838	8.9
189.09077	2.0
189.12675	3.0
190.06186	1.6
191.07053	1.0
191.10712	1.3
191.14322	13.9
197.13312	5.5
202.09901	5.9
203.06985	1.4
205.15863	3.4
215.10725	2.1
215.14304	16.2
218.07436	1.1
218.09344	1.9
232.11618	0.9
233.08029	4.2
233.09880	2.2
233.11905	13.5
233.15361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
50.65581	0.7
53.03941	1.6
55.01854	1.8
55.05509	4.1
57.03427	1.6
57.07061	3.0
65.03948	1.9
67.05182	0.9
67.05510	9.8
69.03433	6.8
69.07074	9.5
69.47147	0.8
70.91229	1.5
70.91574	1.6
71.04978	2.3
76.03977	1.0
79.05486	9.8
81.06659	0.9
81.07066	10.0
83.04989	4.6
83.08614	2.7
85.02910	1.1
85.06538	3.2
91.04913	1.1
91.05482	17.4
93.07036	13.2
95.04964	5.2
95.08050	1.0
95.08609	8.8
97.06534	19.1
97.10180	1.1
99.04431	0.9
103.05476	2.0
105.07036	25.3
107.04963	4.2
107.05553	0.8
107.08593	20.1
109.06515	7.5
109.10142	3.2
111.08092	12.7
113.05251	1.3
113.06009	21.9
115.05434	3.3
116.06223	1.8
117.07020	10.5
119.04943	3.7
119.08585	18.3
121.06505	15.5
121.10145	10.3
122.92980	0.9
123.04434	1.3
123.08077	10.3
125.09582	1.2
127.11227	1.3
128.06303	1.5
129.07013	5.6
130.07811	3.3
131.04906	2.3
131.08578	19.4
133.06480	2.7
133.10132	29.0
135.04488	1.0
135.08075	12.5
135.11693	35.7
137.05980	10.4
137.09598	2.7
139.07562	1.0
141.06979	3.9
141.09119	0.8
142.07756	3.1
143.08539	5.5
144.05682	2.3
144.09340	1.5
145.06506	15.3
145.10123	31.1
146.07295	1.8
147.04378	2.3
147.08040	4.3
147.11682	11.5
149.05960	3.3
149.09622	15.5
149.13254	2.9
151.07503	1.7
154.07748	2.0
155.08553	3.4
156.09326	3.0
157.06451	1.9
157.10153	5.2
158.07304	4.2
158.10913	2.3
159.08063	11.6
159.11723	7.0
160.05199	1.7
160.08786	2.2
161.05971	1.2
161.09563	1.8
161.13257	1.1
162.06581	1.0
163.07550	5.5
163.11188	2.6
165.09134	1.6
167.08495	1.7
169.10130	5.7
171.04556	0.8
171.08028	2.3
171.11681	2.6
172.08849	1.4
173.06030	5.1
173.09618	16.3
173.13264	12.9
174.06773	1.6
175.07568	2.5
175.11186	14.5
177.05553	0.8
177.09111	3.1
182.10924	3.3
185.09605	1.2
186.06798	1.7
186.10384	1.2
187.07555	2.6
187.11192	4.4
187.14828	11.1
188.08260	2.2
189.09064	3.5
189.12671	1.2
191.03381	0.9
191.07040	7.9
191.10677	2.4
191.14404	1.1
197.09473	1.1
197.13261	4.7
197.14818	0.9
200.08366	1.1
200.11998	1.3
201.09132	1.1
202.09918	2.5
203.07014	1.2
203.10641	1.8
205.06569	0.9
205.08495	0.9
205.12242	1.4
205.15854	3.3
215.07162	1.1
215.10718	21.0
215.14288	18.3
215.17754	1.0
228.69095	0.9
233.08014	3.3
233.11807	24.1
233.15361	100.0
233.19125	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
51.02360	0.6
53.03925	1.7
55.01870	3.9
55.05515	4.4
57.03418	1.0
57.07076	3.6
59.04974	0.5
65.03909	1.9
67.05511	9.3
68.99755	0.6
69.03432	7.7
69.07072	12.0
69.46263	3.2
71.01356	0.4
71.05009	2.8
77.03888	0.7
79.05498	18.5
81.03402	0.8
81.07063	12.2
83.04979	3.2
83.08589	2.0
85.02881	1.1
85.06548	3.2
87.00814	1.2
91.00592	0.4
91.05489	22.4
93.07050	16.9
94.88806	0.5
95.04972	8.5
95.08611	8.0
97.06540	28.3
98.20798	0.5
99.04430	1.5
103.05431	2.1
105.04524	0.8
105.07038	35.7
107.04964	16.4
107.08605	16.2
109.06528	8.9
109.10168	2.7
111.04428	1.4
111.08091	8.9
113.05245	0.8
113.06013	15.7
115.03943	0.5
115.05456	3.4
116.06237	1.1
117.07029	15.2
119.04953	28.8
119.08588	24.7
119.09486	0.7
120.09379	0.5
121.02872	0.4
121.06515	19.4
121.10158	9.9
123.08080	8.3
123.11692	1.2
125.06003	1.4
125.09612	1.5
128.06198	2.6
129.07011	6.0
130.07791	8.5
131.04910	1.2
131.08582	20.7
133.06534	3.4
133.09122	0.9
133.10141	22.6
135.04395	1.7
135.08073	11.1
135.11700	27.1
136.92862	0.5
137.05989	19.2
137.09628	2.2
139.07567	0.5
141.06984	3.4
141.09163	0.7
142.07774	2.8
143.08572	8.2
144.05647	1.4
144.09338	2.4
145.06506	7.9
145.10133	66.1
146.07268	1.6
147.04401	1.8
147.08060	6.3
147.11699	15.9
148.08817	1.5
149.05977	1.9
149.09630	13.7
149.13260	2.9
151.07549	1.2
153.06995	1.1
154.07797	2.7
155.08572	5.3
156.09354	3.3
157.06548	0.8
157.10139	5.6
158.07278	5.0
158.10921	1.7
159.08069	8.7
159.11703	12.6
160.05232	0.8
160.08861	1.7
161.06076	0.9
161.09615	2.2
161.13263	1.4
163.07568	3.7
163.11191	50.8
164.11566	0.5
165.09105	0.9
167.08569	1.8
169.10124	7.3
170.10913	0.6
171.08093	1.0
171.11688	4.0
172.08813	1.9
172.12492	1.4
173.09636	100.0
173.13235	10.8
174.10086	0.8
175.07576	2.4
175.11188	11.7
177.09117	2.2
177.12691	0.8
178.08012	0.6
179.08594	1.2
182.07344	0.8
182.10883	2.5
185.09613	1.3
185.13309	0.6
186.06738	0.9
186.10402	1.3
187.07576	0.8
187.11205	17.3
187.14816	10.0
189.09109	3.2
189.12779	4.2
191.03404	0.6
191.07036	1.8
191.10678	5.1
191.12236	0.5
191.12791	0.5
191.14302	3.6
197.09596	4.2
197.13304	5.2
200.11996	1.1
201.09169	2.2
203.07121	0.8
205.08533	0.5
205.12233	5.0
205.15842	3.6
215.10713	18.1
215.14291	15.3
215.17821	0.9
233.08318	2.3
233.11809	32.1
233.15366	81.4
233.23108	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
57.03440	2.6
57.68515	0.3
70.76242	0.4
70.76556	0.4
79.05499	1.2
81.07060	4.6
94.04062	1.2
94.95163	0.3
98.97610	0.8
105.76150	0.3
111.04446	0.3
119.03552	2.5
128.07063	0.8
136.06194	100.0
137.04562	1.1
147.97653	0.2
148.06207	0.3
156.62038	0.3
158.99591	0.5
162.07748	0.3
173.08099	0.4
185.72191	0.3
190.10887	2.4
195.86607	0.3
216.12457	0.3
217.10724	0.6
234.13510	76.2
235.14091	0.3
250.28638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05564	1.7
56.96605	0.5
57.03447	2.2
67.05533	0.5
69.07092	0.4
70.95112	0.3
70.95468	0.8
71.05041	0.5
79.05146	0.3
79.05495	1.6
81.07067	5.1
83.05021	0.6
85.02931	0.5
85.06600	0.5
91.05511	0.8
94.04091	0.9
95.08630	0.6
97.06572	0.4
98.97593	4.1
105.07027	0.7
107.05048	0.6
107.08652	1.0
111.04428	1.7
116.98646	1.0
118.06584	0.8
119.03554	2.5
119.04967	0.3
120.08138	1.1
121.10136	0.6
128.07100	1.3
131.08617	0.6
132.08116	1.0
133.08896	1.3
133.10080	0.5
136.06194	100.0
137.04573	1.2
139.40343	0.3
145.06451	0.4
145.10100	0.3
146.05986	3.1
147.04346	0.4
147.11714	0.6
149.09633	0.4
155.07010	0.9
158.99649	1.7
160.07545	0.4
161.08325	0.4
162.09077	0.7
162.12735	0.4
163.04092	0.3
163.11241	0.4
173.08061	1.3
173.09409	0.3
174.09221	0.4
176.10641	1.2
177.00652	0.9
177.11472	2.2
181.12218	0.7
184.04744	0.5
190.08615	4.2
190.10634	1.9
190.12137	1.6
204.09988	0.3
209.99214	0.3
214.08478	0.4
217.10693	3.3
234.13307	69.1
235.13606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0966
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
57.07084	1.4
58.59277	1.0
66.61239	0.8
69.51810	3.0
69.52238	4.1
81.07057	1.6
81.15079	1.2
83.04971	1.5
83.37380	0.9
90.48689	1.4
91.05504	1.4
95.08634	1.2
103.05496	1.4
105.07044	1.5
115.05459	20.7
117.07018	7.2
119.08579	1.3
128.06195	2.4
129.06995	8.0
131.04932	2.0
131.08545	1.2
132.05693	1.5
133.10181	1.5
137.05966	3.7
143.04929	19.3
144.05679	5.0
145.06512	3.6
147.07990	1.8
157.06537	6.4
160.05206	35.2
161.05902	1.8
172.05199	5.9
173.06007	3.1
174.06740	2.9
175.07556	100.0
178.07765	1.3
179.08521	1.9
187.07544	40.3
189.07494	1.5
189.09018	7.4
205.08549	2.1
207.08046	2.4
217.08681	5.3
217.15988	1.3
235.07510	7.0
235.09750	7.5
235.16925	6.0
235.20969	2.8
259.25058	1.2
259.73581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
53.27309	0.8
55.01866	1.4
55.05504	1.7
57.07073	2.0
59.05551	0.8
59.18536	0.8
67.05503	1.9
67.56969	0.8
69.07076	1.2
69.26749	5.4
69.27167	2.4
72.08129	1.8
77.16480	0.9
79.05482	2.5
81.03396	1.8
81.07056	5.8
83.04960	1.3
90.81876	1.0
91.05498	4.4
93.07047	1.9
95.04948	2.1
95.08597	1.8
96.26889	0.9
97.06532	1.4
98.20727	1.6
105.07045	5.7
107.08584	3.6
109.10149	1.7
115.05461	16.2
116.06238	1.0
117.07028	6.2
119.08589	4.3
121.10126	1.7
125.29897	0.9
128.06232	3.2
129.07024	8.0
131.04907	2.5
131.08572	1.5
132.05714	0.9
133.06407	1.2
133.10123	3.3
134.06152	0.8
137.05977	4.5
143.04922	11.7
143.08549	1.1
144.05731	5.4
145.06488	4.5
145.10175	1.3
147.08075	2.4
147.11705	2.0
149.09639	2.2
155.06030	1.3
157.06529	7.3
157.10106	0.9
159.11714	1.2
160.05193	28.6
161.05969	2.4
161.09628	2.9
161.13248	1.6
163.07587	1.1
172.05197	6.1
172.57924	0.9
173.05991	4.9
174.06758	3.3
175.07549	100.0
176.04674	1.3
177.12767	1.7
178.07726	1.0
179.10780	1.1
185.05949	2.4
187.07555	38.0
188.08286	1.5
189.09129	6.1
189.16388	1.4
190.06224	1.4
191.07008	4.7
203.06943	1.0
205.08620	2.9
207.08005	1.1
217.08606	6.7
217.15900	3.5
235.07471	4.9
235.09702	8.2
235.13339	1.9
235.16914	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	235.0966
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
57.07082	3.9
60.35489	1.2
67.05499	2.8
69.37018	11.2
71.04961	1.6
72.08162	2.7
74.73508	1.4
79.05495	2.6
79.44520	1.5
81.03442	2.4
81.07053	4.6
91.05492	3.1
93.07053	2.1
95.08606	2.8
103.05451	1.8
105.07082	6.8
107.08604	1.8
115.05450	14.3
117.07034	5.6
118.19783	1.8
119.08562	3.7
121.10142	2.1
128.06236	3.1
129.07021	9.1
131.04976	2.1
131.08612	2.1
133.10136	2.7
137.06009	3.8
143.04944	12.0
143.08592	1.6
144.05695	4.7
145.06526	7.4
147.11746	2.0
155.06023	1.8
156.05690	1.8
157.06540	6.6
159.08121	1.9
159.11682	2.2
160.05219	25.7
161.05998	2.3
163.07497	1.5
172.05246	5.4
173.05991	8.6
174.06792	3.5
175.07565	100.0
179.10764	3.5
185.06026	1.5
187.07556	39.1
189.09108	9.0
189.16336	1.6
191.07076	6.4
199.14917	2.0
203.06987	1.9
204.16335	1.5
205.08594	3.9
211.04529	1.4
217.08609	8.4
217.15990	2.2
222.75163	1.4
235.07559	3.7
235.09679	8.0
235.13292	1.4
235.16949	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	235.0964
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
51.13982	0.6
51.14227	0.6
70.43987	1.3
70.44348	1.6
71.32858	0.7
81.06972	1.0
89.17525	0.6
91.05367	0.9
98.20804	0.7
103.05444	0.9
105.06977	1.1
107.08561	0.8
115.05461	20.0
116.06102	0.8
117.07040	4.3
119.08532	2.0
128.06161	2.4
129.07024	7.7
130.69414	0.7
131.04886	2.8
131.08504	1.4
132.05664	0.8
133.10103	0.7
137.05957	3.3
143.04935	16.9
144.05699	5.2
145.06429	2.5
146.07248	1.6
147.07991	1.8
151.03947	0.9
151.07521	0.8
157.06464	7.0
158.07198	2.0
159.04390	0.9
160.05205	31.3
161.06009	1.3
161.09666	1.8
172.05208	6.4
173.06007	4.2
174.06775	8.0
175.07555	100.0
176.08131	0.7
177.05566	1.6
177.09085	1.3
178.07820	1.3
179.08556	1.7
185.05998	0.9
187.07545	38.9
189.07338	1.0
189.09099	15.7
189.10751	0.9
190.06247	5.5
190.07840	1.0
191.08614	3.1
192.09346	4.7
202.06212	0.8
202.07764	3.4
203.08545	10.7
204.09328	10.0
205.06546	3.5
205.08569	17.2
206.07175	0.8
207.08118	2.6
217.08609	19.1
219.08154	3.9
220.08841	14.6
235.06241	1.1
235.07585	7.5
235.11299	37.0
235.17149	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	235.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.1
57.03463	0.8
57.07082	3.0
66.78589	0.9
67.05516	1.2
68.03083	0.8
69.07063	2.3
72.08169	4.3
74.93634	0.7
79.05489	2.1
81.03436	1.0
81.07069	3.9
83.04988	1.1
85.06536	1.4
91.05494	4.5
93.07047	4.9
95.08611	4.4
97.06569	1.2
105.07024	5.0
107.04993	1.0
107.08593	4.0
109.06519	1.1
109.10148	2.0
111.08089	0.9
115.05463	17.7
116.06263	1.0
117.07072	3.8
119.08618	4.7
121.06499	1.5
121.10143	4.0
123.11742	1.0
125.05939	0.8
128.06262	2.3
129.07024	5.6
131.04939	1.5
131.08618	1.2
132.05711	1.6
133.10178	2.1
135.08054	1.4
135.11703	0.8
137.06003	3.7
142.07704	0.8
143.04944	13.2
143.08580	1.0
144.05714	4.6
145.06503	2.6
146.07271	1.3
147.08078	2.9
147.11659	2.2
149.09660	1.5
155.06099	1.2
157.06528	5.4
157.10152	1.9
159.11743	1.2
160.05222	26.0
161.05934	1.7
161.09630	1.7
161.13228	1.6
164.07135	2.0
172.05226	5.7
173.06030	1.4
174.06779	2.7
175.07568	100.0
175.14841	1.0
179.10719	2.4
187.07567	41.8
189.09166	5.5
189.16405	1.9
191.07083	1.1
199.14818	1.0
205.08624	2.5
217.08626	4.4
217.12196	1.9
217.15887	2.5
235.07446	2.5
235.09476	7.2
235.13310	3.4
235.16960	15.8
246.72798	0.8
246.75664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0965
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
70.90009	1.4
73.72655	0.5
90.78880	0.5
91.05476	0.9
92.22671	0.5
93.07050	0.7
95.08611	0.6
103.05462	0.6
115.05459	17.9
117.07023	2.8
117.88721	0.6
121.10121	0.5
128.06216	1.7
129.07025	4.9
131.04907	1.1
131.08459	0.5
132.05661	0.9
137.06001	3.5
143.04930	15.2
143.08513	0.6
144.05695	4.8
145.06502	1.5
146.07288	0.7
147.08049	1.3
151.03879	0.6
157.06503	4.8
160.05203	28.8
161.05916	1.2
163.07472	0.7
172.05200	5.6
173.05995	1.5
174.06815	1.4
175.07550	100.0
176.07877	0.9
185.06015	0.8
187.07553	39.2
188.08260	0.6
189.09091	2.8
205.08606	2.2
217.08554	2.5
235.07544	1.1
235.09666	2.7
235.16855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01864	1.4
55.05502	2.0
56.28497	0.4
56.96568	41.4
57.03442	2.2
57.07089	0.5
57.89611	0.4
58.96164	1.3
59.05006	0.4
59.96174	1.2
60.95855	4.6
61.02933	2.1
63.37889	0.4
65.03931	2.7
66.04716	0.5
67.05513	2.2
68.99788	0.7
69.03429	3.7
69.07074	0.8
69.87909	1.8
70.06595	4.1
70.98135	3.8
71.04990	1.2
71.95261	2.0
72.07751	0.7
72.08160	12.6
73.02940	2.6
73.06551	1.5
73.08502	2.5
74.02447	0.5
74.06124	0.6
74.97610	1.2
77.00903	1.2
79.05499	15.0
80.05811	0.7
81.03426	2.2
81.07061	22.9
82.07380	1.3
82.99861	0.5
83.04945	0.7
84.04500	0.7
84.08128	1.8
84.96040	5.5
85.02918	4.2
86.03237	0.5
86.09705	0.5
87.04482	7.6
88.01812	0.5
88.04810	3.0
88.99158	1.9
89.00807	0.5
91.05486	22.0
92.05820	1.8
93.07059	2.8
94.04185	1.8
95.00815	0.4
95.04984	2.6
95.08620	4.6
96.08945	0.5
97.01270	0.4
97.02333	1.3
97.02902	4.0
97.96812	1.0
98.01349	0.4
98.03146	0.4
98.09707	1.6
98.97591	51.6
99.04461	1.1
99.97934	1.7
100.97186	1.2
100.98029	0.4
101.00864	5.2
102.96877	0.9
103.05482	1.3
104.03067	0.5
105.00179	0.5
105.04513	0.6
105.07042	1.9
106.02841	0.5
107.01846	0.5
107.02559	1.0
107.04961	6.0
107.08611	3.9
108.05260	0.5
109.02254	0.6
109.02889	1.8
109.06522	23.8
110.01294	0.8
110.03128	0.6
110.06852	1.0
110.97570	11.9
112.07607	1.0
112.99142	1.7
114.09183	0.6
115.00729	0.7
115.02328	1.6
115.97879	0.5
116.98628	22.1
117.06963	0.5
117.99038	0.5
118.01077	0.4
118.02809	0.5
118.06551	0.8
118.98206	0.5
119.01920	14.6
119.04963	7.5
119.05858	0.8
119.07400	1.0
119.08537	0.6
120.05754	0.9
120.08083	1.4
121.06509	9.8
122.06871	1.2
123.01178	0.5
123.04466	1.0
123.08077	1.2
124.02744	0.4
124.99125	1.4
125.01743	0.6
125.06017	1.0
126.97117	0.4
127.00707	2.3
127.02438	0.4
127.03974	1.2
128.98610	13.4
129.53680	0.4
130.02782	0.7
130.08643	0.5
131.00174	2.6
131.01897	1.4
131.04959	0.8
132.98000	0.7
133.01700	0.4
133.06511	0.8
134.99678	6.1
135.04434	7.4
136.02890	0.5
136.05264	3.9
136.99242	0.8
137.03084	2.3
137.05984	100.0
138.06313	9.3
139.00682	1.2
139.06543	0.6
140.00191	1.3
140.98601	1.1
141.02223	0.8
142.03589	0.5
142.04553	0.6
143.00195	3.6
143.05228	0.4
144.04326	0.5
144.98032	1.1
145.01765	3.3
145.03435	0.6
145.05087	1.0
145.06433	0.5
146.04124	0.6
146.06032	9.3
146.54318	0.6
146.99669	7.8
147.03163	1.3
147.04372	1.0
148.03806	0.6
148.97488	0.4
149.01230	1.3
149.05995	1.3
150.09143	7.6
151.04126	0.4
151.05220	0.7
151.06807	1.5
151.09509	12.3
152.98618	1.2
153.00703	0.7
153.02264	0.4
155.00157	0.9
155.04655	3.7
155.54851	5.3
156.03488	1.1
156.04750	0.7
156.98077	0.5
157.01700	2.8
157.04036	0.8
158.01244	0.7
158.98331	0.6
158.99667	11.2
159.03125	0.8
160.00061	0.6
160.02715	0.7
160.03876	1.6
160.07497	0.9
160.08852	1.3
161.01291	2.4
161.02596	0.4
161.04744	0.5
161.05981	1.3
162.99136	1.3
163.00653	0.9
163.02707	2.0
163.04057	0.9
164.05182	0.7
164.07053	1.9
165.00781	2.7
165.02023	0.6
165.03859	2.3
165.07457	3.6
166.04538	2.1
166.07526	1.0
166.08755	1.0
167.00157	0.7
167.03806	0.8
167.05540	1.0
167.06978	0.5
168.06187	0.7
168.10225	1.8
168.56366	0.8
169.01723	0.8
169.03181	0.6
169.04396	1.9
169.05460	1.6
170.99652	6.6
171.03250	1.0
171.04694	0.5
172.05602	0.9
172.97557	0.8
173.01328	2.0
173.02614	0.5
174.04436	1.6
174.54536	0.7
174.99200	0.6
175.02789	3.8
175.04305	0.7
175.04855	0.8
177.00739	9.0
177.02254	0.6
177.04034	1.5
178.03816	3.0
179.00131	0.6
179.05623	0.9
179.06975	0.5
180.05394	0.6
181.01857	0.8
181.03517	1.0
181.05235	0.4
181.07079	1.3
182.99664	1.8
183.01454	0.9
183.03271	1.0
183.05029	0.9
183.08655	2.1
184.02257	0.7
184.05293	0.5
185.01108	0.9
185.02632	0.7
185.04965	0.6
186.04411	1.4
187.02831	1.4
187.04428	13.8
187.06406	2.8
187.54559	0.6
188.05905	1.3
189.00691	5.8
189.04190	1.2
189.05972	0.7
190.98639	1.9
191.02226	1.5
191.03830	0.7
191.05630	0.7
191.08942	1.1
191.10713	1.9
191.54071	0.5
191.55917	0.7
192.02699	0.6
192.09929	0.7
193.01767	1.7
193.03879	1.4
194.02109	0.5
194.04214	0.7
194.99657	1.7
195.01723	0.9
195.03285	2.4
195.05075	6.0
195.60138	0.8
196.00026	1.1
196.05093	2.9
196.55344	0.5
197.01212	1.4
197.02975	4.8
197.04892	1.5
197.06607	1.3
198.03075	3.0
198.55252	1.2
198.99115	0.8
199.01251	0.5
199.02823	2.7
199.04514	0.9
199.06447	2.1
199.08199	1.5
199.99837	0.7
201.00697	3.4
201.02429	0.7
201.04300	0.5
201.09784	2.3
203.02231	0.7
203.05937	0.9
204.60713	1.0
205.00197	3.0
205.03577	0.7
205.07414	1.0
205.10582	0.5
206.06868	0.5
206.56395	0.6
206.99684	0.5
207.01662	0.7
207.05014	1.9
209.01285	0.8
209.03073	0.9
209.06622	1.6
210.03491	1.1
210.06918	0.5
211.02791	4.7
211.04573	0.7
212.03123	0.7
212.05289	0.5
213.00731	3.4
213.04311	1.8
213.06133	3.6
214.01135	1.9
214.04082	1.6
214.06326	2.6
215.02173	1.0
215.04118	0.6
215.05995	1.3
216.04491	0.6
217.03821	3.1
217.07352	0.9
219.01772	6.5
219.04916	3.3
219.06625	0.5
219.10194	1.7
221.07980	0.5
223.01111	2.1
223.04596	1.0
225.00716	1.3
225.06073	4.0
226.01561	0.9
227.02304	1.0
227.56970	1.8
228.07036	0.7
229.03914	4.3
231.01761	0.9
232.05266	1.7
232.99808	0.6
233.03210	0.6
236.57497	1.5
237.02856	14.3
237.06064	28.1
237.09477	13.2
237.13167	34.2
237.15891	3.5
237.22168	1.0
237.56136	0.6
238.10661	0.5
239.06992	0.7
240.07788	1.0
241.03809	0.6
243.01770	0.9
243.07167	1.2
246.06328	0.6
247.01045	0.9
249.02931	0.6
253.03993	0.8
255.03928	5.0
255.07179	9.4
255.10188	3.3
257.57266	0.6
259.04965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1123
Annotation	Stachyline B
Peak:m/z	Relative Intensity
50.06296	0.1
53.03939	0.1
55.01872	0.7
55.05520	0.6
63.02355	0.1
66.04702	0.1
67.05502	0.3
69.95628	0.6
71.04989	0.1
71.61013	0.1
75.50233	0.1
78.04718	0.1
79.05489	0.3
80.06265	0.2
81.03409	0.3
87.91117	0.1
91.05484	2.7
93.07034	0.2
95.04958	0.2
102.04662	0.1
103.05460	0.4
105.07034	0.8
106.04198	0.2
107.04961	1.8
108.05762	1.0
109.06509	0.4
115.05428	1.2
116.06217	1.1
117.07011	2.3
118.04160	0.2
119.04950	0.6
119.08583	0.3
121.06510	9.0
123.04445	0.2
124.05199	0.3
128.06189	0.7
129.07018	3.2
130.04118	0.6
130.07814	0.7
131.04921	1.2
131.08582	2.5
131.25790	0.1
132.05724	0.7
133.06503	2.2
133.10153	0.2
134.03632	1.2
134.07263	0.2
135.04399	0.6
135.08063	1.0
136.05200	1.2
137.05983	2.8
138.06784	0.3
141.06931	0.3
143.04852	0.1
144.05704	3.3
145.06490	8.6
146.07274	7.2
147.04398	0.6
147.08055	3.3
147.09200	0.2
148.05205	0.3
148.08853	0.6
149.05992	3.4
149.09554	0.3
151.07549	35.0
152.08269	0.2
155.06105	0.3
157.06554	0.6
158.07275	1.8
159.04448	1.3
159.08058	9.0
160.05336	0.9
160.08838	57.4
161.05989	7.2
161.09624	3.6
162.06763	4.5
163.07542	1.1
163.11183	0.2
165.09059	0.3
172.05244	0.9
173.06001	1.5
174.06764	3.4
175.07555	5.2
176.05013	0.3
176.08337	14.2
177.09113	21.6
180.07867	0.3
186.06743	0.5
187.07515	1.4
188.08342	5.5
189.05490	3.1
189.09103	3.7
190.09846	0.3
191.07025	2.9
191.10675	100.0
192.07898	0.2
192.11073	0.6
194.07344	0.2
201.09123	2.1
203.06999	0.2
204.07825	7.8
205.08644	0.2
207.10072	0.3
209.09575	0.1
210.17332	0.1
219.10167	80.8
220.10585	0.6
222.06798	0.2
222.08855	2.1
237.11220	73.1
238.11572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01874	1.1
55.05515	1.2
57.03441	8.6
67.05505	1.9
69.03429	1.6
69.07058	1.2
71.04996	0.7
71.51450	0.7
72.08167	1.5
75.04475	1.7
79.05501	2.1
81.03408	0.9
81.07059	2.6
83.04983	1.6
84.08147	0.8
85.02927	0.8
86.09714	0.8
91.05492	3.2
93.07059	2.2
95.00159	0.6
95.04968	1.8
95.08607	1.9
97.02868	0.8
102.04685	3.6
103.05470	30.6
105.07035	9.3
107.04970	2.2
107.08592	2.0
109.06499	1.4
109.10160	0.9
111.04408	0.7
115.05447	1.5
117.07029	0.8
119.08578	2.2
121.06543	1.4
121.10152	1.3
123.08103	1.6
125.06019	0.9
126.85611	0.6
129.06973	0.6
130.04153	14.3
131.04936	82.2
131.08583	2.2
133.06511	7.0
133.10121	1.5
135.08023	1.2
135.11751	1.0
137.05966	1.0
139.05092	1.3
143.06053	0.6
145.06511	2.3
145.10126	1.5
147.04442	3.5
147.08057	1.0
147.11734	1.0
148.05199	100.0
149.05852	0.8
149.09570	2.0
149.13237	0.8
151.07581	1.4
157.06493	1.7
159.04404	1.3
159.08058	1.8
159.11726	0.9
160.05229	3.1
160.08836	1.4
161.05986	18.2
161.09607	1.6
162.06769	9.1
163.07550	63.6
168.17790	0.6
173.09665	1.5
173.13295	1.2
175.07544	2.5
177.05487	1.4
177.09128	1.8
179.10681	1.8
181.08621	0.8
189.09163	1.0
191.07040	0.9
191.10655	2.8
191.14354	1.4
194.07053	0.8
201.09065	2.0
201.12730	1.8
204.07849	1.9
205.08504	1.1
219.06480	2.6
219.10147	5.1
219.13750	2.5
236.59967	0.6
237.09125	1.9
237.10980	3.8
237.14690	4.1
237.18629	0.7
237.22034	0.9
238.10855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1487
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03940	2.7
55.01868	1.5
55.05510	11.4
57.03430	5.7
57.07069	4.7
59.04992	3.1
61.02913	1.1
65.03921	2.1
67.05508	21.6
69.03429	19.0
69.07072	19.1
69.61787	6.1
70.06590	2.3
71.04988	3.2
72.08146	5.2
79.05495	18.1
81.03424	5.7
81.07059	23.6
83.04980	13.2
83.08636	3.1
84.08146	1.7
85.02908	4.7
85.06534	2.4
87.04454	1.8
91.05479	27.3
93.07046	26.2
95.04972	16.6
95.08617	19.3
97.02878	1.5
97.06545	11.0
98.97543	1.4
99.04480	1.9
103.05473	14.9
105.03384	1.4
105.07037	32.7
107.04963	10.7
107.08591	31.4
109.02859	2.8
109.06522	20.4
109.10164	7.4
111.04410	2.2
111.08086	4.3
113.05965	1.8
115.05450	2.7
116.06314	1.4
116.07142	1.2
116.98724	1.4
117.07010	9.9
119.04941	5.8
119.08588	27.1
120.08134	3.5
121.06511	11.7
121.10156	22.0
123.08073	18.1
123.11677	2.3
125.09635	2.9
127.07581	4.6
128.06194	3.5
129.07013	4.6
130.04147	3.7
130.07805	1.7
131.04935	26.3
131.08572	36.3
133.06500	4.8
133.10143	26.7
135.08070	40.5
135.11676	13.9
137.05995	9.5
137.09615	10.3
139.07576	1.6
141.05731	1.4
141.06979	3.0
143.08583	10.1
144.05661	1.3
144.09344	2.5
145.06483	4.2
145.10135	17.7
146.07262	3.8
147.04434	4.0
147.08055	4.1
147.11688	9.0
148.05182	27.6
149.05992	3.2
149.09627	18.2
149.13277	5.9
151.07562	2.5
151.11163	2.7
153.06885	1.7
155.08519	2.2
156.09299	1.4
157.06459	1.5
157.10152	3.3
158.10893	5.7
159.08064	13.7
159.11697	13.1
161.05998	5.8
161.09622	24.7
161.13316	9.2
162.06854	3.7
163.07556	25.6
163.11209	5.9
163.14789	6.5
168.09259	2.8
171.11687	4.5
172.08815	2.3
173.09654	7.0
173.13271	33.3
174.10442	2.0
175.07585	1.8
175.09479	4.8
175.11247	5.4
175.14853	1.8
177.05486	3.1
177.09138	5.7
177.12733	7.9
179.10681	76.8
183.11752	2.2
186.10434	3.4
189.12749	21.0
191.06938	2.6
191.10741	2.2
191.14308	36.3
192.06499	2.1
192.10178	2.9
193.08951	1.9
193.10506	8.3
194.07310	1.8
201.12755	33.2
207.13774	3.6
209.15402	6.6
210.05441	1.9
219.06604	1.7
219.10277	4.1
219.13808	100.0
233.47658	1.2
237.07521	2.6
237.09534	14.4
237.14905	62.3
237.18427	2.7
237.22136	2.4
238.10832	1.6
258.52783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03944	2.0
55.01868	3.3
55.05502	4.4
57.03437	2.8
57.07074	2.7
59.04998	3.7
65.03935	1.8
67.05508	12.6
69.03416	6.8
69.07074	21.1
69.99246	2.7
69.99657	4.0
71.04979	2.0
71.72193	1.4
76.97263	1.4
79.05499	14.8
79.11928	1.2
81.03417	1.9
81.07059	16.6
83.04993	7.8
83.08629	2.6
85.02899	5.4
88.23422	1.3
91.05483	19.2
93.07053	18.1
95.04965	6.2
95.08613	18.4
97.06530	7.3
103.05471	5.3
105.07030	31.0
107.04963	8.8
107.08606	29.8
107.39787	1.2
109.06519	11.9
109.10155	4.8
111.05967	1.4
111.08073	3.5
115.05440	2.5
117.07018	11.3
119.04937	3.5
119.08583	27.1
121.06525	7.5
121.10146	25.4
123.08085	15.6
125.06052	1.5
125.09674	2.2
127.07561	3.4
128.06236	2.9
129.07024	6.6
130.04164	1.8
131.04933	11.7
131.08571	39.0
133.06488	3.3
133.10149	24.3
135.04379	2.2
135.08057	28.5
135.11691	15.9
137.06013	3.1
137.09630	9.7
139.07542	1.7
141.06987	2.5
141.09160	1.6
142.07800	2.3
143.08571	9.0
144.09366	2.2
145.06491	3.1
145.10130	13.5
147.08057	6.5
147.11679	5.1
148.05191	13.1
149.09653	13.5
149.13266	5.3
151.07545	2.7
151.11115	2.2
153.07065	1.7
155.08548	2.3
156.09329	1.9
157.10094	3.1
158.10927	8.5
159.08012	9.0
159.11725	10.5
160.08839	2.8
161.05974	3.6
161.09587	11.1
161.13319	10.2
163.07565	17.9
163.11186	4.8
163.14854	10.2
168.09384	3.1
171.11674	5.9
172.08856	2.0
173.09583	4.0
173.13277	36.0
174.10506	1.9
175.11156	3.2
175.14828	1.9
177.09093	3.4
177.12738	5.1
179.10733	9.4
183.11627	3.3
186.10374	4.4
189.12744	22.5
191.10645	3.4
191.14311	37.6
201.12764	24.9
207.13791	5.8
209.15350	9.8
219.13806	100.0
237.11110	3.2
237.14873	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	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03939	0.9
55.01850	1.0
55.05510	4.0
57.03437	0.7
57.07078	2.2
59.04991	2.3
64.64980	0.3
65.03913	0.5
67.05506	5.0
69.03419	1.4
69.06730	0.5
69.07069	5.5
71.04990	3.0
71.53106	0.5
79.05495	5.4
81.03411	1.2
81.07055	13.9
83.01344	0.6
83.04982	4.6
83.08641	1.9
85.02444	0.4
85.02903	5.2
85.06543	1.9
91.05481	6.1
93.07045	13.2
95.04963	5.6
95.08611	7.7
97.02900	0.3
97.06532	3.2
97.10161	0.9
99.04457	3.9
99.08071	0.9
103.05463	1.1
105.07031	8.0
107.04940	1.6
107.07896	0.6
107.08595	9.7
109.02856	0.6
109.06518	12.8
109.10161	5.8
111.04411	0.5
111.08064	3.1
111.11714	0.6
115.05477	0.6
115.62573	0.3
117.07024	4.1
119.04893	0.5
119.08580	6.9
121.06501	9.0
121.09333	0.6
121.10147	8.1
123.08066	2.5
123.11703	2.8
123.76457	0.4
125.05956	0.8
125.09604	1.2
127.07536	0.6
127.11160	0.9
128.06236	0.5
129.07001	2.4
130.07773	0.9
131.04956	0.6
131.08577	7.6
133.06497	0.6
133.10139	5.8
133.11172	0.6
135.04375	0.5
135.08055	8.7
135.11693	3.9
137.05975	8.3
137.09604	1.4
138.06767	0.4
139.07547	3.9
139.11183	1.1
142.07806	0.6
143.08534	1.1
144.05724	0.5
144.09355	4.1
145.06474	1.0
145.10117	4.6
146.07253	0.9
147.08023	1.0
147.11650	1.6
149.06020	0.4
149.09579	2.0
149.13251	3.7
151.07544	5.4
151.11154	1.6
153.05479	0.4
153.09085	1.3
155.08501	0.4
155.10718	0.4
157.10114	1.1
158.10904	0.6
159.04280	0.4
159.08121	1.7
159.11690	23.3
160.08835	3.0
161.05948	1.1
161.09642	2.4
161.13219	2.4
162.06650	0.6
163.07550	7.7
163.11163	1.4
163.14819	0.9
164.08414	0.6
173.13287	3.2
175.07561	0.7
175.11107	0.6
175.14760	0.9
176.08340	1.0
177.05437	0.8
177.09247	1.6
177.12741	6.7
177.16287	0.7
179.10677	1.0
179.14310	0.4
181.08603	11.6
181.10210	0.8
181.12109	0.5
186.10397	0.4
187.07550	0.8
189.05353	0.4
189.12686	0.4
191.06985	0.9
191.10666	5.8
191.14301	2.7
191.17975	0.7
194.07288	0.5
195.13777	0.6
201.12695	1.7
201.16403	3.5
204.07855	0.6
211.52933	0.3
219.10176	4.9
219.13799	6.2
219.17380	5.0
222.66583	0.4
237.11440	4.5
237.14847	100.0
237.18250	5.7
237.22209	1.3
238.15120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
52.28334	1.7
53.03947	2.8
54.10440	2.2
55.05511	5.7
57.03447	2.2
57.07067	2.5
59.05004	7.5
67.05510	15.8
69.03442	3.2
69.07067	8.0
71.04997	15.4
71.51474	2.3
79.05503	11.4
81.07066	74.6
83.04984	3.1
83.08614	4.2
85.06587	4.7
91.05503	10.1
93.07052	100.0
95.04961	5.2
95.08624	25.3
97.06551	3.6
99.04488	1.7
99.08100	6.3
105.07035	17.5
105.23855	1.9
107.08611	26.8
107.65861	1.7
109.06507	7.0
109.10168	19.1
111.08126	4.2
113.06031	5.6
113.09663	3.1
115.07590	5.1
119.08608	19.6
121.02900	2.0
121.06544	2.3
121.10152	15.0
123.08116	3.4
123.11721	40.1
125.09639	3.2
127.07605	4.1
127.11186	3.8
131.08548	4.6
133.10149	38.8
135.08081	3.6
135.11684	10.4
136.08589	1.7
137.09647	3.3
145.10149	6.9
147.11716	14.3
149.09631	2.8
149.13300	6.0
151.11186	27.9
153.09163	2.1
155.10719	1.9
159.11707	10.3
161.13260	5.8
163.11235	3.0
173.13269	4.9
177.12787	4.3
177.16357	2.0
191.14360	4.8
191.18034	4.4
201.16365	10.1
219.10162	4.0
219.13826	6.3
219.17441	34.3
237.14877	7.1
237.18521	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	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03945	3.0
55.01863	2.5
55.05511	21.5
57.03430	2.6
57.07080	15.8
67.05183	2.9
67.05508	37.7
69.06733	2.8
69.07072	29.9
71.04980	6.1
71.48791	3.3
73.06544	2.4
79.05502	28.2
81.03397	3.3
81.07058	96.4
81.58330	1.8
81.82492	2.2
83.04970	7.4
83.08624	12.2
85.02898	2.5
85.06523	8.4
88.70995	1.8
91.05494	26.7
93.07047	54.8
95.04958	5.0
95.08614	74.7
97.06529	5.7
97.10158	4.6
103.05496	2.2
105.07039	60.0
107.04957	4.1
107.08598	100.0
109.06515	8.0
109.10163	68.7
111.08102	8.2
111.11732	3.6
113.09631	2.3
117.07034	11.8
119.07813	3.7
119.08588	44.5
121.06488	6.0
121.09331	3.8
121.10148	49.8
123.08074	8.2
123.11718	26.6
125.09645	7.7
131.08574	26.5
133.06516	13.1
133.10124	23.2
135.08046	3.3
135.11691	33.0
137.05974	2.6
137.09558	3.2
137.13197	3.4
138.22939	2.1
139.11143	3.1
143.08551	3.5
144.09349	2.9
145.06485	4.7
145.10130	58.0
146.07275	2.4
146.31670	2.1
147.11708	33.8
149.09624	8.8
149.13240	7.6
151.07539	16.9
151.11168	5.4
155.10657	3.1
157.10127	2.7
158.10814	2.3
159.08130	5.1
159.11690	27.3
160.08844	20.7
161.06047	3.7
161.09613	3.2
161.13246	19.2
163.11189	7.8
163.14835	29.5
173.13263	13.3
175.14856	10.2
176.08313	5.9
177.09113	8.8
177.12677	3.7
177.16325	4.7
181.12221	3.6
189.09177	2.6
189.16371	3.9
191.10681	38.1
191.14348	8.5
191.17918	19.1
201.16379	64.6
219.10225	33.6
219.14005	2.9
219.17456	68.9
237.09105	4.0
237.11180	26.6
237.14857	8.7
237.18500	90.9
237.22185	4.2
254.31635	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	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03949	1.8
54.22349	1.3
55.05513	6.2
57.07081	2.8
57.33611	1.1
59.05000	6.0
67.05510	11.6
69.03422	2.4
69.07072	6.4
69.47092	8.6
71.05003	14.4
71.07854	1.3
79.05497	7.4
81.07062	76.5
83.05000	2.7
83.08621	3.8
84.08266	1.2
85.06537	3.9
91.05482	10.0
93.07050	100.0
95.04969	2.3
95.08616	23.7
97.06553	2.4
99.08110	4.3
105.07038	16.8
107.08607	21.3
109.06523	7.2
109.10185	11.5
111.08094	3.1
113.06028	4.4
113.09662	2.2
115.07585	5.1
117.07017	2.9
119.06039	1.2
119.08581	17.1
121.06520	1.6
121.10162	14.0
123.08122	1.8
123.11716	35.7
125.09718	1.5
127.11198	2.6
131.08588	3.0
133.06523	2.9
133.10138	26.4
135.11713	6.7
139.11140	1.4
144.37723	1.2
145.10143	7.1
147.11710	11.1
149.13263	3.5
151.07610	2.5
151.11194	13.1
159.11693	6.4
161.13290	4.3
163.11214	2.8
173.13330	2.9
175.14902	2.9
177.12752	3.3
177.16391	1.5
191.10693	3.9
191.14363	3.9
191.17932	6.5
201.16371	8.2
219.10179	2.6
219.17456	25.9
237.09132	3.2
237.11282	2.3
237.14804	1.9
237.18544	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	238.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	1.7
55.01881	2.7
55.05519	3.5
55.93530	1.1
56.05049	1.7
56.96567	100.0
57.03432	3.5
57.07075	3.2
58.29650	0.9
60.95861	14.5
61.02932	3.0
65.03927	1.3
67.05511	10.1
69.03436	4.8
69.42155	3.0
69.42580	4.3
70.06606	4.2
70.98135	3.9
71.05001	2.4
71.95280	1.3
72.08160	5.4
72.93784	1.6
72.96046	1.6
73.02925	2.7
73.06532	1.0
74.97623	3.9
76.41057	1.0
79.05494	18.5
80.05818	1.2
81.03442	3.4
81.07063	16.9
82.07392	1.8
83.04996	2.7
83.08649	1.2
84.04511	2.8
84.08147	5.5
84.96024	5.3
85.02914	5.8
85.06546	5.5
86.06066	1.3
86.09683	1.1
89.03897	4.6
90.94888	1.2
91.05482	12.4
92.05830	1.8
93.07055	8.8
94.04202	1.1
94.07396	1.2
95.04975	5.3
95.08614	10.3
96.01640	1.1
96.08931	1.1
97.02908	4.2
97.96829	3.7
98.97588	35.1
100.07622	4.5
102.96905	2.4
103.05502	1.2
105.00195	1.0
105.07038	9.5
106.02846	1.0
106.06588	1.1
106.07368	1.0
107.02596	2.0
107.04974	5.5
107.08623	2.6
108.03354	1.3
108.08116	2.1
108.99653	1.2
109.02906	1.9
109.06535	9.9
110.06052	14.4
110.06812	1.8
110.97562	7.1
111.04498	1.1
111.08067	7.0
112.07623	2.4
112.99165	2.8
114.01533	1.3
115.00669	1.9
115.97865	2.1
116.07086	1.9
116.98634	12.9
117.03401	3.2
118.06561	2.5
119.01882	1.5
119.04971	3.7
120.08167	1.4
120.97958	1.2
121.06520	13.0
122.06862	1.6
123.01211	1.5
123.08073	9.6
124.04013	1.3
124.99156	4.0
125.05998	1.2
127.00702	9.1
127.03891	1.9
128.02325	1.8
128.98611	7.5
129.02284	1.8
129.10249	1.3
130.08664	3.9
131.00215	2.3
132.04427	1.4
132.97952	1.3
133.01755	1.7
134.54832	1.2
134.99698	3.1
135.04469	10.3
135.08115	1.2
136.05261	1.2
136.06242	2.7
136.07555	1.2
136.93135	1.1
137.05986	47.9
138.06354	5.0
139.00696	2.7
140.00262	1.2
140.98613	1.6
141.02245	10.1
141.09113	5.2
143.00197	5.9
143.03564	1.3
143.55696	1.3
144.04411	9.0
144.06166	2.0
144.08092	1.1
145.01744	5.3
145.02896	4.1
145.05124	1.2
146.06062	3.0
146.09645	2.4
146.99669	3.0
147.03368	1.6
147.04393	2.2
148.07600	1.6
149.01277	1.6
149.05997	1.9
150.04445	2.4
150.06271	3.2
150.09145	7.9
151.00693	2.5
152.04150	1.9
152.56134	1.4
152.98676	1.2
153.02235	3.6
153.04869	6.4
154.06558	1.2
154.94315	1.4
155.03658	1.4
155.04742	2.5
156.03363	5.7
157.01793	3.1
158.04889	1.5
158.06046	1.3
158.57458	1.0
158.99673	10.0
159.03340	12.4
159.04953	8.1
159.06795	3.0
161.01245	4.4
161.04651	5.4
162.99086	2.2
163.03917	50.3
164.04237	1.1
164.07132	3.4
165.02301	2.7
165.99380	1.6
167.00133	1.3
167.03798	13.3
168.03596	4.1
168.05357	6.1
169.01773	4.6
170.55791	2.3
170.99693	4.3
171.03363	3.5
171.04956	1.9
172.95248	1.8
173.01300	1.5
173.04962	1.6
174.04416	3.3
174.05573	3.8
175.02859	2.2
176.07153	2.7
176.10750	1.9
177.00754	7.7
177.04190	4.9
178.97983	2.9
179.02316	1.9
179.03880	3.8
180.05446	7.7
180.98166	1.1
181.00082	1.2
181.01674	2.1
182.06021	2.3
182.99701	3.1
183.03259	5.1
185.01344	4.6
185.04861	87.3
186.04321	5.9
187.02769	5.0
187.04482	2.8
188.02289	1.3
188.06024	1.8
189.00732	3.1
189.04384	1.9
189.05887	8.3
189.56093	1.1
190.08641	2.6
190.96349	1.9
191.02415	1.6
191.06526	2.3
191.56203	1.5
192.06694	2.6
192.10162	4.9
193.01787	1.7
194.08179	2.9
194.11868	2.9
195.01752	1.4
195.03397	3.3
196.05096	1.0
196.99222	1.7
197.01180	4.4
197.03033	3.7
197.04860	44.9
197.06364	2.7
198.99045	3.4
199.02843	3.3
199.04488	1.3
199.08217	2.1
201.00664	4.4
201.04395	3.5
203.02327	2.2
203.05916	68.6
203.99319	1.6
204.05536	4.4
205.00310	1.9
206.03313	2.8
206.08142	3.3
208.09747	2.6
208.99657	1.2
210.98947	1.4
211.02818	3.9
213.00696	5.3
213.04448	3.9
214.96288	1.1
215.02235	9.5
215.03970	5.4
215.05894	57.6
217.00058	5.5
217.05707	1.4
219.01820	2.4
220.06430	4.7
220.10167	1.1
220.13379	3.6
221.07021	2.8
226.07713	2.2
227.06087	1.5
229.00087	2.5
229.03865	2.7
229.07365	1.9
230.12944	2.2
231.01794	11.0
232.02365	1.2
233.03308	8.5
233.06961	24.4
237.00838	2.4
237.99365	2.8
238.03662	1.8
238.07304	4.7
238.10818	52.9
238.14397	12.0
239.05971	1.7
241.04054	2.0
247.01190	1.6
247.04968	1.6
249.02834	11.4
251.08049	3.0
256.02676	1.3
256.07834	1.1
257.07144	1.5
259.04971	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1075
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
52.76317	0.4
55.01872	0.4
55.05498	0.8
56.96341	0.5
56.96572	5.3
57.03424	0.4
60.95846	0.6
65.03957	0.5
65.61167	0.4
67.05495	0.8
68.05035	0.5
69.03436	0.6
70.06600	0.9
70.48973	1.1
72.08140	1.3
73.02911	0.6
77.63126	0.4
79.05070	0.6
79.05496	3.7
81.07063	0.5
84.04513	0.5
84.08158	0.8
85.02912	1.4
89.03888	2.0
90.05540	0.6
91.05476	3.9
93.07043	1.2
95.04980	0.9
95.08637	0.6
98.97587	1.8
99.04446	0.4
102.96856	0.9
103.05468	6.3
105.07040	10.9
106.06558	1.5
107.04949	3.1
107.08498	0.5
115.00684	0.5
116.98631	0.9
117.03375	2.2
117.05759	1.8
118.06554	7.3
119.07341	11.1
119.08608	1.1
120.07260	0.6
120.08118	10.8
121.06498	1.4
121.08422	2.4
123.07959	0.5
124.03931	0.8
124.99126	1.3
126.05515	0.9
128.01221	0.5
128.04958	0.7
128.06245	0.8
128.98608	0.5
129.06999	5.2
130.06587	0.5
131.04945	2.6
131.07294	1.7
131.08524	0.4
132.04465	0.7
132.08089	2.3
135.04407	4.6
137.04710	0.7
137.05894	0.5
140.76625	0.4
143.00206	2.6
144.08090	1.4
145.01834	0.6
145.02811	2.8
146.06039	5.6
146.09656	83.0
147.04440	0.5
147.09915	0.5
149.05951	1.0
150.09151	0.9
154.05011	3.4
159.03294	0.5
159.51079	0.4
161.01141	0.9
161.77872	0.4
163.03915	22.3
164.04245	1.0
164.07068	1.4
164.10709	2.1
167.00227	0.4
169.01764	1.3
170.99675	1.0
174.05487	3.3
174.06718	0.4
178.08647	0.7
179.01851	0.4
185.01248	1.0
187.02823	1.7
188.02339	0.9
189.00676	1.3
192.06668	2.5
192.10201	100.0
193.10590	0.6
197.02876	2.1
202.06120	0.9
203.02246	1.0
203.15736	0.4
206.03409	1.3
213.00697	1.5
215.03879	3.8
215.93599	0.4
220.07187	1.2
220.09587	0.9
220.13327	0.6
224.04344	0.6
231.01762	6.0
237.00647	0.7
238.02573	0.9
238.10770	17.7
238.14430	2.6
239.48302	0.5
244.20467	0.4
249.02812	5.4
255.01822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0916
Annotation	1-O-trans-p-Coumaroylglycerol
Peak:m/z	Relative Intensity
53.03943	0.3
57.03440	0.4
57.07064	0.4
59.04995	0.3
65.03938	0.9
67.05491	1.3
69.03436	0.4
70.94554	0.8
71.05009	0.4
72.44243	0.3
79.05479	0.9
81.07069	1.7
83.04996	0.9
83.08585	0.3
84.08124	0.5
86.09701	0.8
89.06047	0.6
91.05486	10.9
93.07049	1.0
94.38052	0.3
95.04963	0.8
95.08595	1.3
97.02895	0.5
97.06544	0.4
98.97565	0.5
103.05467	0.4
105.03411	0.4
105.07040	1.0
107.08584	0.9
109.06496	0.6
109.10137	0.7
113.78096	0.3
117.07022	0.4
117.65141	0.3
118.03712	0.4
119.04952	27.1
119.08571	1.3
121.06512	0.5
123.08081	0.8
123.11748	0.3
125.09692	0.3
131.08624	0.5
133.06480	0.6
133.10123	1.0
135.08060	0.7
135.11681	0.9
137.05949	0.8
137.09621	0.7
145.02838	0.5
146.03178	1.3
147.04419	100.0
147.11670	0.6
148.04779	0.6
149.09584	0.7
151.07590	1.6
156.34521	0.3
157.10162	0.5
161.09607	0.7
163.11285	0.4
165.09192	0.5
168.05719	0.4
175.11238	0.9
177.05521	0.7
177.09077	0.6
178.05803	2.1
179.07068	0.4
179.10716	0.4
181.08530	0.4
196.05229	0.6
203.10573	0.4
203.14305	0.4
211.07578	1.3
221.08083	0.8
221.11781	1.8
221.15398	0.9
239.07005	0.7
239.09009	1.7
239.12827	0.9
246.05244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.53851	3.5
52.34386	3.9
55.05513	32.9
57.03437	3.6
57.07078	17.7
59.05009	26.6
67.05514	23.6
69.03427	4.7
69.07079	38.1
71.04997	10.0
71.67305	3.7
79.05476	10.7
81.07062	100.0
81.66364	3.3
83.08623	29.4
85.02924	6.1
85.06555	12.9
86.09727	27.1
91.05482	10.5
93.07059	31.5
95.08615	84.1
97.06535	16.8
97.10172	20.6
99.04510	3.8
99.08107	6.3
105.07030	18.4
107.08600	39.1
109.06531	7.2
109.10159	55.6
111.08090	10.9
111.11716	16.5
111.97509	3.9
115.01562	3.6
119.08573	27.1
121.10151	27.4
123.08044	5.4
123.11733	43.6
125.09641	15.8
127.11231	8.0
131.08534	5.5
133.10143	25.1
135.11699	38.4
137.09567	4.7
137.13264	79.0
137.14276	6.7
139.11205	20.7
143.10681	10.3
145.10225	6.3
147.11713	23.6
149.13290	14.2
151.11221	13.2
151.14915	5.6
153.09186	4.3
153.12741	9.4
155.10733	5.3
159.11832	4.1
161.13252	12.1
163.14853	31.5
165.07086	6.0
165.12773	6.5
172.52052	4.3
175.14790	6.5
177.16432	9.5
193.19550	6.8
203.17953	56.2
212.79012	3.8
221.15576	5.9
221.19029	64.8
224.08252	4.3
239.07019	10.1
239.14542	6.7
239.18065	7.0
239.20078	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	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.03954	0.8
55.05517	17.4
56.04739	0.5
57.03418	0.6
57.07079	100.0
65.03941	1.1
67.05509	38.3
69.06687	0.9
69.07071	18.7
69.34500	3.9
71.05018	1.2
71.08636	66.7
72.04525	2.3
72.80287	0.6
77.85339	0.5
79.05521	3.3
81.07059	39.5
83.08625	23.4
84.23898	0.6
85.06560	2.7
85.10189	30.9
88.02232	1.3
89.06043	3.3
93.07082	2.3
95.08612	60.1
97.10175	11.5
98.21545	1.0
99.04488	0.7
99.08109	1.3
99.11708	1.2
105.07024	0.7
107.08626	1.1
109.10165	21.9
111.11731	1.2
112.68375	0.6
119.08605	0.7
121.10239	0.6
123.11705	6.9
133.08638	1.7
137.06026	2.0
137.13284	1.9
155.08507	0.7
157.06567	1.4
165.06937	0.7
183.08055	1.0
193.15985	0.8
196.05234	1.3
198.18594	1.0
211.07655	2.6
227.58855	0.8
239.06984	1.3
239.09047	5.5
239.14604	1.3
239.18156	2.1
239.23833	1.2
254.00313	0.5
259.29395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	7.7
58.06600	15.5
67.05488	0.5
69.03409	0.5
69.88213	1.1
70.06593	2.5
70.98106	0.3
72.08126	0.5
73.02895	0.4
79.05496	1.5
81.03404	0.8
81.07056	1.5
82.13886	0.2
83.04972	0.6
84.08145	8.3
84.96019	1.0
85.02891	0.8
91.05468	1.1
93.07057	0.4
95.08605	0.9
97.02905	0.5
98.09707	1.2
98.97583	18.7
101.00867	0.8
102.31491	0.2
105.00149	0.6
105.07030	0.5
107.04948	0.2
107.08573	0.8
109.02858	0.4
109.06480	0.7
110.97567	1.0
112.99151	0.5
114.05542	0.4
116.07086	0.3
116.98622	6.3
119.01920	1.5
121.06449	0.3
123.01217	0.3
123.08088	0.6
124.68222	0.2
124.99136	0.3
126.09143	0.4
127.00692	0.3
127.03902	0.5
128.10713	3.4
128.98607	0.6
131.00194	0.3
131.01842	0.3
134.06009	0.4
134.99643	1.1
137.02881	0.3
137.05983	4.5
138.06392	0.3
139.00755	0.3
140.00200	1.3
140.98567	0.5
141.08797	0.2
143.00130	0.7
144.10222	1.3
147.04378	0.7
148.04758	0.3
151.00659	0.4
152.07031	0.4
153.02206	0.4
157.01755	0.3
158.01242	1.1
158.99657	1.9
164.05923	0.6
165.02106	0.3
167.07007	0.2
168.10170	1.0
169.05478	0.4
171.03261	0.3
172.05716	0.6
173.01266	0.3
176.02332	0.3
177.00700	2.8
177.02208	0.5
177.11194	0.3
179.00310	0.3
179.03798	0.6
180.98125	0.8
181.06184	0.5
183.03261	0.3
185.01201	0.5
185.04846	0.4
187.04474	0.5
187.06346	0.4
190.06801	0.5
195.01762	0.6
195.03351	0.6
195.05014	0.5
196.09677	4.5
197.01195	0.9
197.02910	0.8
197.04863	1.1
198.11208	0.6
198.99205	0.5
199.02780	0.4
199.06372	0.4
200.02321	0.4
201.00729	0.3
203.02303	0.4
208.55147	0.6
211.02806	0.4
211.08118	1.3
213.16010	0.4
215.02383	0.3
215.05862	0.4
217.00165	0.6
217.55797	0.4
218.06834	0.4
219.01814	0.6
222.99191	0.4
223.02791	0.7
223.08141	0.9
229.09212	0.7
241.00317	0.6
241.03928	3.6
241.09439	1.7
241.15466	100.0
242.15839	0.5
259.04871	1.9
259.10361	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	241.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96308	0.5
56.96570	6.9
58.06605	15.0
67.05501	0.6
69.03436	0.4
70.06605	2.3
70.70214	0.6
71.95248	0.6
72.08147	0.5
79.05479	1.5
81.03407	0.6
81.07046	1.0
84.08150	8.9
84.96011	0.8
91.05482	1.2
93.07021	0.7
95.08598	0.5
97.02893	0.6
98.09693	1.3
98.97595	14.5
101.00859	0.7
105.00124	0.4
107.08578	0.8
109.06504	1.2
110.97569	1.1
112.95662	0.3
114.05478	0.4
116.98624	4.9
119.01913	1.4
119.04930	0.6
121.06492	0.4
121.44511	0.3
123.08067	0.7
126.05503	0.3
127.03941	0.4
128.10727	3.5
128.98598	0.5
131.11713	0.4
134.06049	0.4
134.99638	1.1
135.04419	0.5
137.05008	0.6
137.05988	5.8
140.00172	1.0
140.98534	0.4
143.00232	0.5
144.10213	1.1
152.07042	0.4
158.01274	0.7
158.99687	1.7
161.01279	0.4
164.05980	0.4
168.10240	0.8
172.05653	0.7
177.00731	2.1
177.02124	0.6
179.03969	0.4
180.98027	0.4
185.01218	0.5
187.04419	0.9
190.06708	0.8
195.12097	0.5
196.09700	4.5
197.01288	0.7
197.02965	1.0
197.04700	0.6
198.11221	0.5
209.02951	0.4
211.02765	0.4
211.08203	1.0
217.00204	0.5
219.01871	0.4
223.02734	0.7
223.08141	0.7
229.09273	0.5
241.00226	0.5
241.03943	2.5
241.15489	100.0
242.15921	0.5
259.04941	1.5
259.10312	1.2
263.70996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30875	0.3
55.01879	0.7
55.05507	0.4
56.82979	0.3
57.03160	0.5
57.03439	6.2
65.03960	0.4
65.25154	0.3
67.05506	0.4
67.62854	0.3
68.99786	1.7
71.04979	0.4
71.52305	0.5
75.04485	1.6
81.03418	4.0
81.07041	0.6
83.04987	0.4
85.02931	0.3
85.06535	0.4
91.05466	0.5
93.07076	0.5
95.04975	0.6
95.08569	0.5
97.02911	0.6
98.03683	1.0
99.04441	0.5
107.04954	0.5
107.91144	0.3
109.02885	16.7
110.95685	0.4
111.00797	5.5
111.04430	1.4
123.08128	0.3
126.03136	13.7
127.03931	0.8
137.02309	0.6
140.04723	0.6
141.05469	52.0
151.03999	0.4
154.02611	1.3
155.03381	1.4
155.07031	0.5
157.55060	0.4
169.04968	100.0
181.05035	0.4
197.05888	0.4
211.06006	6.1
243.06354	0.5
243.08647	7.4
243.15753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03931	4.0
54.80131	1.0
56.96548	1.5
57.03431	1.0
61.02935	11.0
65.03944	8.5
65.52686	1.0
67.05509	5.6
68.99773	1.1
69.03416	2.9
69.89771	4.6
71.01363	0.9
71.04985	1.4
77.03931	1.5
79.05493	6.6
81.03431	1.1
81.07069	5.4
82.04197	3.4
84.05777	1.0
84.08115	1.3
85.02904	4.9
91.04974	1.8
91.05485	19.0
93.03387	1.8
93.07012	1.2
94.04201	1.6
95.04977	15.2
97.06511	2.4
98.21497	2.0
98.97572	2.3
99.04473	1.2
99.08109	1.3
103.05463	1.2
105.03416	2.4
107.04964	8.7
108.02094	1.4
109.02840	1.4
109.06516	15.8
110.03651	4.4
111.04449	1.6
116.09778	1.0
119.04944	6.7
121.06499	2.3
122.03663	1.4
123.04440	14.5
125.02345	5.4
125.05949	2.5
133.02852	12.4
135.04408	5.4
137.05986	23.2
138.03128	1.7
140.04691	99.8
142.02588	1.9
147.04448	6.3
151.07632	1.1
151.46700	1.0
151.92490	1.1
152.04671	2.5
153.05435	3.6
155.07034	100.0
158.99420	0.9
163.03871	3.3
164.04645	0.9
165.05481	18.1
167.07104	1.0
169.04993	3.0
171.06494	2.9
173.08076	3.5
179.07034	12.3
180.02676	1.4
180.04182	21.0
181.04964	74.7
183.06499	4.1
183.07971	1.1
184.05212	1.2
192.04126	1.4
193.03294	1.8
193.04970	25.8
195.06508	11.4
197.06360	1.3
197.08076	9.5
207.06525	27.7
222.04608	1.2
225.05508	2.2
225.07564	24.0
231.05283	3.0
242.55881	1.1
243.06416	1.8
243.08597	22.1
243.10818	1.8
243.13716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0866
Annotation	Lamiophlomiol A
Peak:m/z	Relative Intensity
52.32805	0.4
53.03944	0.8
55.01871	0.8
55.05502	1.3
57.03445	5.2
57.07063	0.6
62.00124	0.4
65.03941	0.9
67.05495	1.9
68.99781	1.5
69.03422	1.2
69.07054	1.6
70.06585	1.2
71.05004	0.9
71.51624	0.6
72.08150	0.6
75.04476	1.9
79.05495	1.2
81.03424	5.4
81.07053	4.7
82.06593	0.7
83.04974	1.8
84.04486	0.5
85.02904	1.1
85.06530	0.7
86.09712	0.6
91.05489	2.3
93.07050	1.0
95.04972	3.0
95.08598	1.1
97.02900	1.2
97.06531	1.4
98.03722	1.1
98.09693	1.6
98.97584	2.1
99.04443	0.9
99.08115	0.9
100.07602	1.1
101.11248	0.4
103.05515	0.5
105.07014	1.5
107.04962	2.6
107.08625	0.9
109.02888	16.9
109.06519	1.4
109.10169	0.8
111.00806	6.6
111.04430	2.8
113.06015	0.9
114.09155	0.6
116.10739	1.5
116.75269	0.4
116.98589	0.9
119.04959	1.1
119.08614	1.2
121.06493	0.7
121.10155	1.4
123.04441	2.0
123.08067	1.3
125.02390	0.6
126.03142	15.6
127.03922	0.9
128.07068	0.8
131.08620	0.6
133.02863	0.5
133.10185	0.8
135.04410	1.2
135.08066	0.9
137.02341	0.9
137.05965	1.7
137.09619	0.8
139.11276	0.5
140.04713	1.2
141.05472	51.3
141.53091	0.4
147.04404	0.7
147.11694	0.9
149.09607	0.8
151.03964	0.8
151.07559	0.9
154.02626	1.3
155.03445	1.2
155.07045	0.9
158.99690	1.0
160.13155	0.4
163.03932	1.0
163.11218	0.7
164.07030	0.5
165.05460	1.4
165.06938	0.5
165.50491	0.4
169.04973	100.0
177.00662	0.8
180.04192	3.3
181.05003	1.1
181.12399	0.5
183.06569	1.6
183.08099	0.8
189.12646	0.7
190.14856	0.4
193.04962	2.1
195.06548	1.3
197.06009	1.0
198.14905	4.6
207.13802	0.8
211.05992	6.1
215.07056	1.3
222.08289	1.3
225.07451	4.4
225.08865	0.6
225.14966	1.5
226.14418	6.1
227.78159	0.4
242.62511	0.6
243.06502	1.9
243.08473	5.7
243.17372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.8
63.76885	0.1
67.25473	0.1
69.91585	0.4
69.91945	0.2
70.58019	0.1
71.95262	0.2
81.06979	0.1
82.06590	0.9
82.99870	0.4
83.99925	0.2
84.08122	0.1
84.96066	0.1
98.97589	3.7
99.97918	0.8
100.07626	1.8
100.97189	0.2
100.98000	0.1
101.00887	5.0
101.97218	0.3
102.00946	1.8
102.96904	0.4
103.00668	0.2
103.02422	0.1
111.00463	0.1
116.98629	2.4
117.98959	0.8
118.98270	0.2
119.01929	13.3
119.98256	0.3
120.02013	4.3
120.97890	0.1
121.01642	0.5
123.97893	0.2
124.02461	0.2
131.01903	0.3
134.99698	1.1
135.99992	0.7
136.99243	0.1
137.02959	2.9
137.69870	0.1
138.03052	0.8
138.98865	0.1
141.98909	0.6
142.03502	1.6
143.01918	0.3
143.03619	0.1
154.01051	0.2
155.01935	0.2
157.03456	0.2
158.99876	0.6
159.99986	2.6
160.04564	0.3
160.99654	0.3
161.02974	3.0
166.99817	0.2
172.00058	0.1
173.02983	0.3
175.04549	0.2
176.03189	0.5
177.00952	2.9
178.01053	17.5
179.00710	1.7
179.04007	3.5
180.01503	0.1
183.99980	0.9
184.04475	0.6
185.02975	0.4
190.01030	0.1
190.05803	0.1
191.95905	0.1
194.04247	0.2
196.02094	0.2
197.03047	0.1
198.02908	0.1
200.03117	0.3
201.00931	0.3
201.02640	0.2
202.01036	2.6
202.04007	0.1
202.05692	0.4
203.00684	0.3
203.02403	0.1
203.03923	0.5
217.04002	0.2
218.04211	2.8
219.02019	2.0
219.03922	0.2
220.02132	21.6
221.01796	4.6
221.05161	0.4
222.02386	0.1
226.00984	2.3
227.00681	0.1
228.99744	0.2
235.00841	0.3
238.98425	0.3
243.03790	0.4
244.02155	11.2
244.04834	1.1
245.01784	0.8
245.04959	0.6
261.02963	0.2
262.03192	100.0
263.02875	5.8
264.03525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.2
69.71931	0.6
71.95248	0.2
79.80171	0.1
82.01445	0.2
82.06580	0.7
82.99832	0.7
83.99927	0.3
97.73436	0.1
98.20758	0.2
98.97584	4.9
99.97915	1.0
100.02506	0.3
100.07612	1.6
100.97179	0.3
100.98032	0.3
101.00881	5.9
101.97205	0.5
102.00945	2.3
102.96867	0.5
103.00634	0.3
116.98613	2.2
117.98953	0.7
118.03504	0.1
118.98236	0.3
119.01923	12.0
119.98187	0.2
120.02003	4.0
120.97914	0.2
121.01660	0.6
124.02464	0.2
131.01823	0.2
134.99724	0.8
135.99982	0.4
137.01984	0.2
137.02962	2.1
138.03032	0.5
140.98856	0.2
141.98898	1.1
142.03496	1.6
143.01884	0.6
146.19896	0.2
154.00977	0.2
155.01874	0.2
157.03413	0.2
158.99881	0.5
159.99980	3.5
160.04533	0.4
160.99622	0.4
161.02959	3.0
166.99733	0.2
173.02907	0.3
175.04533	0.2
176.03188	0.4
177.00960	3.1
178.01047	17.0
178.49524	0.4
179.00697	1.6
179.04018	2.8
179.98120	0.3
180.99844	0.3
182.01976	0.2
183.99959	0.9
184.04564	0.4
185.02910	0.3
190.00385	0.6
194.04158	0.2
196.94440	0.1
197.94572	0.2
197.99168	0.6
200.03188	0.2
201.00867	0.4
201.02681	0.2
202.01045	3.0
202.05614	0.3
203.00687	0.4
203.03975	0.5
214.95544	0.4
215.95610	0.5
217.04099	0.2
218.04210	3.2
219.01990	2.0
219.03903	0.3
220.02124	22.1
221.01787	4.2
221.05107	0.4
226.00998	2.1
226.09930	0.2
229.98701	0.4
232.96646	0.2
233.96649	0.2
235.00830	0.3
238.95428	0.2
238.97755	0.2
241.49438	0.1
243.03606	0.4
244.02119	11.8
244.04695	0.5
245.01836	0.7
245.05006	0.3
249.99362	0.1
256.96570	0.9
258.96420	0.2
261.02975	0.3
262.03186	100.0
263.02869	6.1
264.03510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51517	4.8
56.96567	45.2
57.03421	8.1
68.98278	5.4
69.03414	10.3
69.34134	24.9
69.34558	14.1
70.06574	12.0
71.95262	7.6
72.08131	7.9
73.02912	13.2
79.05468	15.4
80.89641	4.8
82.99862	13.6
83.06095	7.2
84.08136	8.4
84.36353	4.6
85.02890	15.9
97.02872	19.3
98.97598	58.2
100.99133	5.4
101.00286	7.9
101.00892	92.6
104.10713	17.3
105.22432	4.8
107.08617	14.1
110.97594	7.9
112.05090	29.4
112.99102	6.4
113.00838	17.5
113.03490	12.3
113.04744	6.4
113.05431	19.2
115.02435	6.7
116.98617	20.4
119.01938	78.1
124.95487	11.4
125.07104	14.4
127.02416	15.8
128.98653	5.3
131.01888	28.9
133.03462	10.6
137.02914	6.9
137.05930	7.0
137.53925	6.2
139.02403	7.7
142.01721	12.3
142.96524	9.6
143.01898	52.5
145.01727	7.9
145.03458	46.4
154.03790	8.0
154.53831	7.0
155.01891	51.0
157.03484	28.2
158.99646	7.1
161.02968	49.2
163.02950	4.4
163.04482	14.9
163.54515	14.0
164.06796	21.4
167.01941	24.9
169.03436	9.4
170.95970	16.1
173.02985	51.2
173.07434	5.8
174.99132	7.2
175.04515	12.2
177.00850	6.1
179.01852	13.8
184.97545	5.9
185.02953	85.0
187.04471	28.8
188.97038	22.7
191.03981	8.4
195.11288	8.8
197.02914	27.1
200.04445	7.8
202.98582	10.1
203.04007	34.1
215.04002	9.9
219.01634	6.4
220.99609	12.3
221.05074	30.7
227.13873	9.2
230.97987	5.0
234.23732	5.5
235.56688	8.5
244.57147	9.7
245.00932	7.3
245.05029	100.0
245.11620	5.6
245.14932	14.2
263.06165	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	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	2.3
60.95844	1.1
68.98296	0.4
69.03415	0.4
69.87557	0.7
75.94557	0.3
81.03405	0.6
82.99825	1.6
84.96022	0.5
84.99595	0.4
86.99306	0.2
91.33265	0.2
94.99799	0.2
95.01336	0.3
96.04053	0.3
97.02891	0.8
98.97588	6.4
99.04469	0.3
100.97205	0.3
101.00884	11.1
102.00948	1.1
102.96877	7.6
103.00644	2.9
103.02483	0.4
105.00374	0.4
108.46613	0.2
112.99174	0.3
113.00877	1.6
115.02400	0.6
116.98627	2.5
117.16399	0.2
119.01928	16.3
120.02006	2.0
120.97906	3.8
121.01674	5.2
121.02469	0.5
122.45486	0.2
124.97552	0.2
124.99052	0.3
125.00862	0.3
127.00709	0.3
127.02412	0.6
127.03941	0.6
128.98714	0.3
129.00342	0.4
129.03958	0.4
131.00246	0.4
131.01897	3.0
131.05524	0.3
133.03465	1.1
134.99626	0.9
135.91284	0.2
136.99640	0.5
137.02957	2.4
138.03021	0.3
138.98943	1.5
139.02544	0.8
141.01826	0.2
142.03481	0.9
142.98605	0.8
143.00159	0.5
143.01901	7.5
143.03613	0.3
143.99586	0.3
145.03445	2.5
147.01389	0.5
149.02882	0.4
151.00702	0.3
153.00557	0.3
155.01907	1.7
156.96529	0.3
157.03476	4.8
158.99879	0.4
159.01372	0.4
160.99652	4.1
161.02965	15.9
162.00542	0.3
162.03188	0.4
162.97586	0.3
163.04549	0.3
167.01880	1.0
169.03482	0.8
169.20816	0.2
171.05040	0.6
172.94305	0.3
173.02971	3.4
175.04518	3.1
177.00938	0.9
177.02658	0.4
178.01051	0.9
179.00716	19.3
179.04041	0.8
179.49428	1.1
180.04149	0.6
180.99927	0.5
181.99707	0.3
184.04666	0.4
184.99699	0.8
185.01431	0.3
185.02963	7.0
185.04604	0.5
187.04518	1.7
190.50345	0.5
190.95427	0.4
191.00308	0.6
191.04050	1.3
197.03036	1.5
198.94272	0.5
199.00955	0.4
199.02855	0.4
199.04465	1.1
201.02629	0.3
203.00706	3.2
203.02432	0.4
203.03984	6.0
203.05702	0.4
204.04320	0.3
207.97191	0.3
214.95503	0.2
215.03990	1.7
215.95668	0.2
216.95284	1.3
216.98634	0.3
217.05652	0.5
219.01932	0.6
219.03868	3.2
220.02135	0.6
221.01768	24.3
221.05269	0.7
222.02084	1.1
226.05579	0.4
227.00653	2.4
227.04036	1.7
233.05051	0.9
234.96416	0.3
236.00481	0.4
239.96785	0.9
244.03543	0.5
244.98080	0.5
245.01836	11.5
245.05063	13.3
245.12265	1.3
256.96823	0.3
257.96881	0.2
261.03052	0.7
263.02881	100.0
264.03162	1.1
265.03354	0.5
268.03299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	Ile Ile
Peak:m/z	Relative Intensity
68.31589	0.2
69.03443	0.5
69.07069	0.7
69.53506	1.5
70.06580	0.2
80.05017	0.3
81.03415	0.2
81.07061	0.5
84.08117	0.2
85.02888	0.3
85.06595	0.2
86.09711	100.0
88.98866	0.2
97.06569	0.3
98.21552	0.4
98.97601	0.3
103.96272	0.2
105.07031	0.2
114.03748	0.2
115.03933	0.4
119.08616	0.2
128.06206	0.2
132.10205	3.9
142.03233	2.7
146.67430	0.2
147.04451	0.2
157.06474	0.2
159.08098	0.2
161.05901	0.2
170.02658	0.5
187.07536	0.2
199.18062	2.0
217.12202	0.2
245.08000	1.1
245.11832	0.4
245.18619	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	245.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
55.05508	0.3
56.05019	0.2
57.03443	0.2
62.11253	0.2
63.94145	0.2
67.05498	0.3
67.17461	0.2
68.99758	0.2
69.03447	0.5
69.07075	10.1
69.53240	0.2
69.53571	1.5
69.58056	0.2
79.05480	0.3
83.04976	0.7
85.06553	0.4
86.09712	100.0
89.26730	0.3
90.94827	0.3
91.05470	0.5
98.97605	0.4
107.08586	0.4
114.03751	0.2
119.08669	0.4
123.23502	0.2
128.06236	0.2
129.07013	0.2
131.04886	0.3
132.10214	2.3
135.08163	0.3
136.05132	0.2
142.03221	2.0
145.06537	0.3
145.10245	0.2
157.06450	0.3
170.02682	0.5
171.08099	0.4
175.07597	0.2
184.05200	0.2
185.05975	0.3
186.11540	0.3
199.07683	0.3
199.11194	0.4
199.18086	0.7
201.05412	0.2
209.11658	0.2
217.08604	0.3
227.07155	0.4
245.08058	1.9
245.11714	0.4
245.13380	0.4
245.18645	6.1
245.21008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
56.05040	0.8
56.96568	100.0
57.03442	0.8
61.02935	1.2
69.03436	0.9
70.98127	31.8
71.30455	0.8
71.95274	2.2
72.08160	11.7
73.02937	1.6
74.97605	3.1
79.05495	1.8
79.81581	0.5
80.01385	0.5
81.07063	1.1
81.55507	0.5
82.99851	0.8
84.04513	7.5
84.08188	0.7
84.63508	0.5
84.96045	8.7
85.02908	1.6
86.09721	1.9
86.97613	4.2
88.99169	6.4
91.05486	1.1
93.07034	0.7
95.08595	0.7
97.02892	1.3
98.96942	1.2
98.97590	20.1
100.99151	11.3
101.00887	4.0
103.00648	1.1
105.07066	0.9
107.00198	0.8
107.08630	1.0
109.06473	0.9
110.01270	0.7
110.97574	13.1
112.95503	5.1
112.99200	1.2
113.00866	0.6
115.00706	4.4
115.02472	1.1
116.46138	0.5
116.98636	7.0
118.08658	6.6
119.00198	3.2
119.01922	4.1
119.04912	0.6
121.01681	1.2
121.06599	0.6
126.97056	5.0
127.00642	0.9
128.98613	8.9
129.03984	0.6
130.04982	1.4
130.96527	4.9
131.00169	1.1
131.01852	0.8
133.01743	8.3
133.03424	1.2
134.99692	1.6
137.05994	7.9
138.06331	0.6
139.07605	0.5
140.00163	0.5
140.02313	1.5
140.98607	1.3
143.00192	3.2
143.01915	1.6
144.98097	54.8
145.01649	1.4
145.03491	1.1
146.99644	2.9
148.97600	2.1
149.01147	1.0
149.02869	0.6
149.06624	1.0
151.02679	0.5
155.00160	1.9
155.01970	1.0
156.57277	0.8
156.98149	0.8
157.01624	1.0
157.03491	0.5
158.99623	3.6
159.03314	0.8
161.01277	3.8
161.02763	2.6
162.99156	27.8
163.02754	1.2
164.06873	0.8
164.98631	1.1
165.00677	1.0
168.03624	2.5
170.03416	1.2
170.99678	0.6
171.01372	0.6
173.01259	1.0
173.02940	0.6
174.99182	2.2
177.00746	2.3
177.04150	3.8
178.04951	0.8
179.02322	0.6
179.05670	0.8
181.00227	3.5
182.99677	2.9
183.01270	0.8
184.09731	1.7
186.99165	11.3
187.00836	1.4
187.02766	1.4
187.04503	0.6
191.02263	0.7
193.00293	1.1
201.00719	4.0
201.02435	1.3
205.00215	66.9
206.00917	0.5
210.06512	0.8
215.00443	1.5
215.06491	2.7
219.01776	1.5
223.01268	54.5
224.04184	0.8
224.06937	1.3
228.01837	1.6
229.03264	2.6
230.10269	1.8
238.07722	0.6
241.02351	3.8
246.02802	1.2
247.01291	4.8
247.04295	14.0
247.06927	1.5
247.08290	1.1
247.12746	2.5
265.02527	0.7
265.05548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.96570	13.9
57.03428	0.6
61.02921	3.0
67.05496	0.9
69.65859	2.4
69.66280	1.4
70.06606	0.8
70.98105	3.1
72.08153	10.5
73.02901	0.7
79.05486	1.9
81.03395	0.9
81.07043	1.6
83.04989	0.9
84.04500	2.8
84.08108	0.9
84.96017	1.5
85.02897	2.1
86.09701	3.8
88.03968	0.7
95.04967	0.7
97.02907	1.2
98.97586	8.3
100.99144	1.1
101.00878	6.9
101.07184	0.7
105.07023	0.8
110.97577	2.3
112.99130	0.9
115.02417	0.9
116.98620	2.1
118.08640	1.3
119.00181	0.7
119.01945	8.6
121.06478	1.3
123.08109	0.9
124.95490	1.1
128.98587	2.6
130.04965	0.9
130.53162	0.8
131.01903	1.2
133.03439	1.1
137.05969	2.4
142.02904	0.6
143.00137	0.9
144.98082	3.4
144.99863	0.8
146.99640	1.2
148.06059	1.3
155.01820	1.1
155.05568	0.7
156.98151	0.7
157.01799	0.8
157.03380	1.0
158.99660	1.8
159.03070	0.7
161.01219	0.8
161.02916	1.9
162.99149	1.5
168.99780	1.4
173.02916	0.9
174.99081	0.8
175.04549	0.9
182.99643	0.9
186.99245	1.5
187.00879	2.0
187.02455	1.3
189.06059	0.8
190.98685	0.8
193.00221	0.8
201.00740	1.4
201.02489	0.9
205.00221	4.9
205.03638	0.8
215.00340	3.3
215.02274	0.8
217.01915	1.0
223.01303	4.4
229.00900	0.4
229.03212	28.4
247.04276	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	247.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01849	2.9
55.05503	4.0
56.96568	67.8
57.03430	3.7
60.95858	1.5
61.02915	4.6
65.03928	1.5
67.05515	6.7
69.03432	5.1
70.06586	1.3
70.98129	12.3
71.04972	1.7
71.95248	2.1
72.07808	1.6
72.08160	17.7
73.02909	5.2
74.97616	1.6
77.03905	1.5
79.04777	1.1
79.05500	23.2
81.03437	7.5
81.07067	22.6
81.88140	1.1
82.07394	2.6
84.04512	14.3
84.08161	5.6
84.96053	8.6
85.02913	9.9
85.06525	1.8
86.09705	3.0
87.00321	1.1
88.99152	3.6
91.05492	22.9
92.06963	1.1
93.06490	1.5
93.07050	20.5
94.04232	1.3
94.07384	1.3
95.04971	5.9
95.08612	15.2
96.03324	1.7
97.02901	8.2
98.97590	100.0
99.04446	2.4
100.07581	1.4
100.99123	4.4
101.00772	1.3
102.03394	1.3
102.05511	1.3
103.05460	12.9
105.03926	2.4
105.04530	2.2
105.07049	14.1
107.02583	1.6
107.04976	5.2
107.08614	5.5
108.03343	2.3
109.02869	3.2
109.06522	16.4
110.06839	1.2
110.82079	1.0
110.97573	14.7
111.08068	2.4
112.95517	1.4
112.99117	3.8
115.00677	1.6
115.02306	2.5
116.98633	22.7
117.03893	1.2
118.08669	7.7
119.00078	1.1
119.01819	3.3
119.04958	2.9
121.06512	90.1
122.06850	2.4
123.03851	2.3
123.08085	13.4
124.08398	1.4
124.99122	1.7
126.96992	1.9
127.00680	3.9
127.03952	2.4
128.02316	2.2
128.06194	1.3
128.98627	10.8
130.05045	2.2
130.08652	1.8
130.96536	1.3
131.00136	2.7
132.10196	1.4
133.01714	4.5
134.99667	3.4
136.99176	1.2
137.05989	80.3
138.02567	1.0
138.06310	7.3
140.00226	1.5
140.02309	1.3
140.07611	3.3
140.98598	2.5
141.09132	9.9
143.00204	6.4
143.03773	3.5
144.98096	16.8
145.01727	4.2
145.03447	1.3
145.04947	1.7
146.99635	3.7
147.03127	3.6
151.07550	4.5
151.08746	1.0
152.98532	1.7
153.06551	2.9
155.03665	1.7
155.07175	3.7
157.01721	2.0
157.06479	2.1
158.99666	38.2
159.03145	1.4
159.04947	1.5
159.08078	1.6
161.01314	1.9
161.02780	1.4
161.04848	3.8
161.07187	1.3
162.99184	10.2
163.02806	2.2
164.07092	3.3
166.04688	1.9
168.03616	6.6
168.05438	31.8
169.01653	1.3
169.05408	2.7
170.04141	52.0
170.07661	1.6
170.99678	3.1
171.04829	2.0
171.08032	1.8
172.05685	2.6
173.01219	3.0
173.04846	3.1
177.00743	18.6
177.04158	13.8
177.05965	27.9
178.04950	1.6
179.04672	91.2
179.54765	2.6
180.05432	22.6
180.55632	1.9
181.00209	1.8
181.06139	1.9
182.99675	3.3
183.03320	2.0
184.09671	2.5
185.01178	1.5
185.04822	3.0
186.99170	3.4
187.06349	1.9
187.07890	1.6
188.05185	1.8
188.08923	1.3
188.56834	1.3
189.05983	29.3
189.09091	1.5
189.56087	1.8
190.55484	7.5
191.05913	3.0
193.01775	2.1
194.99666	2.3
195.03278	3.0
195.04996	1.3
197.01230	1.7
197.03111	1.9
197.04884	5.0
197.06509	1.3
199.08197	1.8
200.56721	2.1
201.00687	5.3
201.04230	2.1
201.09122	2.1
203.05782	1.4
203.10851	1.4
205.00211	21.8
211.02782	4.0
213.00688	2.0
213.04349	2.6
213.06140	1.5
215.06105	3.3
219.01799	7.5
223.01251	19.2
225.00655	1.5
229.03790	4.1
229.08481	1.9
230.10277	2.0
237.02834	4.8
238.09787	1.6
241.02078	2.1
247.04193	4.6
247.07973	2.0
247.10075	5.6
247.12866	4.7
253.03847	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	247.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.0
54.86250	2.1
55.01870	5.2
55.05516	12.4
56.05038	4.1
56.96569	82.4
57.03436	7.7
60.95845	4.7
61.02929	9.2
65.03946	2.2
67.05514	23.6
69.03435	23.4
69.07067	5.9
70.98116	7.5
71.05001	3.8
72.08160	90.6
72.63539	2.0
73.02931	12.7
73.06546	2.8
74.97602	3.0
79.05499	61.4
80.05854	2.0
81.03444	11.4
81.07070	28.5
83.04985	7.0
84.04511	56.9
84.08144	9.7
84.96030	14.6
85.02911	35.6
85.06564	11.5
86.09720	9.3
87.04448	2.9
88.04015	3.9
88.99151	4.4
91.05495	17.3
93.07050	31.5
94.07372	2.4
95.00817	2.2
95.04984	15.6
95.08622	57.7
97.02895	19.0
98.03228	2.5
98.20734	5.2
98.97591	100.0
99.04445	6.5
100.99171	3.9
101.00771	3.2
102.01608	2.8
102.05573	3.0
102.96872	4.8
103.05470	6.5
105.03916	2.4
105.04533	2.3
105.07042	61.8
106.07391	2.4
107.08593	3.9
108.03408	4.2
109.02901	5.4
109.06538	12.2
110.01318	5.2
110.97585	23.3
111.04474	3.0
111.08083	11.7
111.26912	2.0
112.07599	20.7
112.99132	10.8
115.00658	3.0
115.02283	3.6
115.05432	2.3
116.03094	2.3
116.98632	31.7
117.03876	5.3
118.08665	52.9
119.01791	10.3
119.04996	2.8
121.06507	31.8
122.06825	3.6
123.08083	61.3
123.08971	3.8
124.02824	2.4
124.08426	2.1
124.99156	4.9
125.06010	2.2
126.01466	1.9
126.97043	2.6
127.00653	10.9
127.03989	10.4
128.02307	6.1
128.06271	3.6
128.98601	18.1
129.03899	2.2
129.07004	3.2
130.05054	11.1
130.08647	29.3
131.00148	4.8
131.04991	2.1
132.10223	4.8
132.97981	3.5
134.99658	6.1
135.08066	2.6
137.05029	3.5
137.05995	47.5
138.04379	4.4
138.06306	3.1
139.07545	8.1
140.02278	11.6
140.07626	7.4
141.03885	2.5
141.09129	44.4
141.99326	2.1
142.04689	3.6
143.00204	13.9
143.03815	4.5
143.05426	2.2
144.04411	5.4
144.98102	12.0
145.01707	19.3
145.04982	3.8
145.06592	3.3
146.07568	3.9
146.99646	10.9
147.03172	7.4
148.06461	4.0
148.56322	4.5
151.07536	6.2
152.55728	2.7
152.98627	3.5
153.03902	2.4
153.06607	5.4
154.03879	13.4
154.06476	3.6
155.00217	3.6
155.08243	3.2
156.03360	8.1
156.10179	5.1
156.98062	4.7
157.03629	4.2
157.06696	4.5
158.99680	22.5
159.03149	2.7
159.04828	3.2
159.08058	2.3
161.01288	5.2
161.04761	6.6
162.99132	9.3
163.02757	7.3
163.04222	4.0
163.07082	4.8
163.56898	2.5
164.06987	3.6
164.98572	3.1
165.00771	3.6
166.50282	2.0
167.06985	3.2
167.54350	2.5
168.03630	22.1
168.05472	26.8
168.53809	2.7
169.07092	6.3
170.04172	3.3
170.99683	9.3
171.03513	2.2
171.04915	12.4
171.08180	3.0
173.01237	6.2
173.04819	2.2
174.04414	5.9
174.99220	4.8
175.00667	2.7
175.04652	4.0
176.55406	2.7
177.00795	17.4
177.04189	62.6
177.05972	22.3
177.09152	2.8
178.04922	2.9
178.07530	3.8
179.04626	7.0
179.07007	2.7
180.05450	94.6
180.55659	14.1
181.00217	2.8
182.99696	6.6
183.03329	5.7
184.08038	2.8
184.09659	17.5
185.04865	6.4
186.04314	11.9
187.02837	4.1
187.04716	10.2
187.08160	6.7
188.55017	5.2
188.56686	2.5
189.00787	4.1
189.04276	5.7
189.05978	99.5
189.56181	9.1
191.02299	4.3
191.05815	5.6
195.03305	4.9
197.01147	2.7
197.04892	7.5
197.06511	3.5
198.06662	4.1
199.08180	4.9
200.56805	7.8
201.00719	20.3
201.04250	7.0
201.09125	2.7
203.10965	8.2
205.00279	13.5
205.03911	4.3
205.05832	6.6
208.04834	2.7
211.02844	5.2
213.04309	2.5
213.06136	3.1
215.02304	2.8
215.06157	15.5
219.01781	27.7
223.01196	14.2
224.07060	4.2
229.05721	7.6
230.10277	9.3
233.03323	4.4
237.02808	23.0
238.07632	4.1
238.09810	2.6
243.05219	3.1
247.06265	6.4
247.08170	7.5
247.10274	12.1
247.12999	17.2
247.18329	3.7
261.06403	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	247.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	1.5
70.06599	2.3
71.32117	0.7
71.37716	1.4
78.33562	0.7
88.07644	3.2
89.07977	1.1
91.05495	1.5
93.07036	0.9
95.08580	1.0
103.05486	1.0
105.07047	1.3
106.08660	2.2
115.05441	5.8
116.06296	1.0
117.07018	5.0
119.08618	0.8
121.06525	3.2
123.04439	2.9
128.06238	13.4
129.07024	16.6
130.07791	1.2
131.04913	1.7
131.08578	1.2
132.05705	2.0
137.05994	2.6
138.06747	3.6
141.06998	4.8
142.07811	2.1
143.04945	2.1
143.08571	6.0
144.05702	3.5
145.06502	24.6
145.10179	0.9
151.07535	1.2
155.06099	1.2
156.05711	2.5
157.06505	22.9
158.07283	17.2
159.04436	4.9
159.08078	11.9
160.05196	2.0
160.08849	6.0
161.05984	6.3
169.06464	1.1
169.07751	1.0
170.07382	0.8
171.08054	4.0
172.08853	62.6
173.06007	38.3
173.07565	1.1
173.09549	1.3
174.06787	27.0
175.07571	7.1
176.08444	1.1
186.06734	1.1
187.07568	2.9
188.08347	100.0
189.09129	67.0
191.10738	4.3
201.09148	18.7
203.10692	93.1
204.11113	1.0
214.06422	0.9
215.07013	2.0
219.10188	1.1
229.08667	5.8
229.23563	0.9
246.24307	2.4
247.07625	1.9
247.09691	53.4
247.16888	1.2
247.24626	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	1.5
70.06599	2.3
71.32117	0.7
71.37716	1.4
78.33562	0.7
88.07644	3.2
89.07977	1.1
91.05495	1.5
93.07036	0.9
95.08580	1.0
103.05486	1.0
105.07047	1.3
106.08660	2.2
115.05441	5.8
116.06296	1.0
117.07018	5.0
119.08618	0.8
121.06525	3.2
123.04439	2.9
128.06238	13.4
129.07024	16.6
130.07791	1.2
131.04913	1.7
131.08578	1.2
132.05705	2.0
137.05994	2.6
138.06747	3.6
141.06998	4.8
142.07811	2.1
143.04945	2.1
143.08571	6.0
144.05702	3.5
145.06502	24.6
145.10179	0.9
151.07535	1.2
155.06099	1.2
156.05711	2.5
157.06505	22.9
158.07283	17.2
159.04436	4.9
159.08078	11.9
160.05196	2.0
160.08849	6.0
161.05984	6.3
169.06464	1.1
169.07751	1.0
170.07382	0.8
171.08054	4.0
172.08853	62.6
173.06007	38.3
173.07565	1.1
173.09549	1.3
174.06787	27.0
175.07571	7.1
176.08444	1.1
186.06734	1.1
187.07568	2.9
188.08347	100.0
189.09129	67.0
191.10738	4.3
201.09148	18.7
203.10692	93.1
204.11113	1.0
214.06422	0.9
215.07013	2.0
219.10188	1.1
229.08667	5.8
229.23563	0.9
246.24307	2.4
247.07625	1.9
247.09691	53.4
247.16888	1.2
247.24626	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0967
Annotation	Norpinguisanolide
Peak:m/z	Relative Intensity
53.64401	0.5
55.05508	0.6
60.19186	0.4
67.05492	1.5
69.07064	0.9
70.67786	1.7
79.05495	0.9
81.07040	1.9
85.40321	0.5
91.05485	2.4
93.07013	0.9
95.04975	0.8
95.08596	1.5
103.05456	0.7
105.07027	2.1
107.04951	0.7
107.08553	1.3
108.22642	0.6
109.10178	1.1
112.33205	0.5
115.05432	5.1
116.06207	0.5
117.07018	4.1
119.08558	1.1
121.06516	2.8
121.10130	1.1
121.32494	0.5
123.04430	2.2
127.05444	0.7
128.06223	13.6
129.07008	18.8
130.07771	2.2
131.04927	2.3
131.08582	2.5
132.05698	1.7
133.06464	0.6
133.10129	0.7
137.05980	2.4
138.06786	4.7
141.06979	4.0
142.07755	2.1
143.04932	2.3
143.08562	5.4
144.05722	3.4
145.06485	24.4
145.10126	0.8
146.07253	1.4
151.07518	1.2
155.04883	1.0
155.06053	1.1
156.05693	3.4
157.06500	22.1
158.07277	18.9
159.04448	5.0
159.08061	14.8
159.11688	1.1
160.05186	2.3
160.08846	4.7
161.06000	5.3
169.06424	1.4
169.07706	1.4
170.07303	1.0
171.08028	3.8
172.08835	59.9
173.05984	41.3
173.09532	2.0
174.06769	27.2
175.07549	8.3
186.06761	1.0
187.07539	4.3
188.08325	100.0
189.09106	65.9
191.10680	4.9
201.09109	17.7
201.10992	0.9
202.09949	0.7
203.10674	91.8
204.10892	0.7
214.06268	0.7
214.55884	0.8
215.07027	1.8
216.07750	0.7
217.08633	1.7
219.10190	2.0
223.56477	0.7
229.08620	6.0
247.09665	51.4
247.16847	1.1
247.20596	0.7
247.24185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03929	6.2
55.01859	3.2
55.05501	4.7
65.03928	4.3
67.05518	6.8
67.05816	1.4
68.99798	2.0
69.03095	1.5
69.03432	20.6
69.07066	2.0
71.10752	1.9
71.11069	2.0
73.04728	1.8
79.05506	7.1
81.07076	11.0
83.04996	16.7
91.05489	14.5
93.03394	2.4
93.06567	1.5
93.07056	15.3
95.04954	6.1
95.08590	2.5
97.02911	6.9
97.06508	1.8
105.07036	12.6
107.08595	14.2
109.02895	21.5
109.06516	13.5
109.10151	2.9
111.04436	4.5
115.05444	3.7
116.06221	1.8
117.07011	9.7
119.08590	16.9
121.02876	3.5
121.05709	1.5
121.06518	20.7
121.10149	8.5
122.07227	1.8
123.04424	2.0
123.08092	1.8
128.06223	3.8
129.06990	8.6
130.02637	1.3
130.07791	3.1
131.08566	21.0
132.05759	1.9
133.06442	1.9
133.10123	12.1
135.08052	22.7
137.05972	6.7
137.09616	3.8
139.03957	1.6
141.06958	3.3
142.07788	2.3
143.08557	12.1
144.05656	3.2
144.09366	11.3
145.06494	11.7
145.10129	14.4
146.07315	2.1
147.08015	5.8
149.09627	25.0
150.10358	4.1
151.11147	5.3
153.06934	2.6
155.08528	3.7
157.06493	3.5
157.10143	5.4
158.07271	4.6
158.10944	13.2
159.08086	15.2
159.11703	30.0
160.08849	4.0
161.09593	6.1
163.07545	20.0
163.11148	2.2
165.09126	2.8
168.09349	3.3
169.10115	2.1
170.10873	4.2
171.08018	5.4
172.08839	14.5
173.05939	4.3
173.09631	25.7
173.13271	45.2
175.07649	1.9
179.72661	1.5
181.06508	2.3
181.10120	1.4
183.11696	9.5
185.13298	3.6
186.10419	23.1
187.07555	6.0
187.11192	100.0
189.07007	3.8
189.09061	4.6
190.07730	3.9
191.06985	26.6
191.08534	5.6
193.10092	1.7
196.08772	5.8
201.09019	2.4
201.12762	66.1
203.08492	1.7
204.08897	2.3
205.12337	7.4
211.11107	11.2
214.09842	2.3
215.06799	1.7
216.08983	1.6
217.08568	3.4
218.07298	4.0
219.08054	16.8
219.13757	6.5
229.12254	71.2
232.08427	3.5
247.07642	35.8
247.10570	9.0
247.13263	62.9
247.20383	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03946	4.1
55.01864	1.5
55.05492	2.8
57.07070	2.5
65.03944	4.4
67.05493	2.2
68.99802	1.3
69.03433	16.1
69.07075	1.0
70.62917	1.0
70.84830	1.6
79.05499	7.2
81.07054	8.3
83.04986	16.6
91.05473	10.5
93.03421	4.4
93.07052	14.9
95.04964	4.8
95.08623	1.9
95.86489	0.8
97.02911	6.3
102.79105	0.8
105.07038	13.5
107.04948	1.5
107.08593	13.1
108.39646	0.8
109.02889	19.9
109.06511	12.9
109.08167	0.7
109.10149	1.3
111.04449	5.9
111.08055	1.2
115.05463	4.0
117.07026	7.7
119.07806	1.6
119.08589	16.5
121.02864	5.5
121.06509	19.4
121.07374	1.0
121.10163	5.9
122.07301	1.1
123.04398	1.0
123.08075	1.9
128.06203	3.7
129.07040	4.2
130.07794	1.5
131.04904	1.2
131.08569	17.5
132.05745	1.6
133.10143	10.9
135.04375	0.9
135.08055	29.8
135.11726	0.7
137.05969	5.6
137.09598	3.5
139.03897	1.2
141.06975	2.1
142.07747	2.2
143.08559	10.4
144.05721	1.2
144.09373	8.3
145.06493	9.7
145.10123	12.5
146.07236	0.9
147.08012	4.2
147.11739	0.9
149.05965	1.6
149.09621	22.8
150.10388	4.8
151.07570	1.0
151.11143	3.5
153.06976	2.6
153.09077	1.8
154.07793	1.3
155.08562	5.3
157.06528	1.4
157.10150	4.1
158.07280	1.7
158.10925	15.1
159.08070	11.2
159.11696	29.2
160.08842	3.2
161.09618	4.1
163.07549	21.0
163.09750	0.9
163.11200	3.1
165.09149	2.3
167.08614	1.0
168.09300	5.0
169.10133	3.0
170.10959	4.8
171.08029	5.9
171.11662	1.4
172.08849	15.8
173.05957	0.9
173.09633	28.5
173.13264	45.4
175.07657	1.0
177.09006	0.9
177.12813	1.1
181.06535	2.3
183.11728	8.9
185.09697	1.0
185.13324	1.9
186.10411	23.9
187.07613	2.4
187.11183	100.0
189.09111	2.4
191.07034	27.3
191.08484	1.2
196.08783	5.6
199.07538	2.0
201.12750	69.7
203.14299	1.5
205.12206	8.4
211.11154	11.5
214.09914	3.3
219.08102	2.4
219.13838	6.6
229.12239	72.6
230.12428	0.9
247.07587	3.4
247.13297	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1695
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05517	12.4
55.78061	2.1
57.07080	3.4
63.86066	2.2
67.05496	7.1
69.07069	8.1
69.43452	4.4
69.43851	14.9
74.15103	2.4
79.05473	5.4
81.07056	9.0
83.08620	5.1
84.14933	2.4
91.05470	16.1
93.07051	23.9
95.08623	24.9
105.07032	24.7
106.31165	2.3
107.08595	33.2
109.06517	3.2
109.10168	7.1
117.07024	8.6
119.08585	54.0
121.10153	9.8
123.08071	2.6
131.08586	39.6
133.10143	69.3
143.08594	2.8
144.09309	2.4
145.10133	35.9
147.11705	9.8
151.07590	4.8
153.09221	2.7
157.10210	3.7
159.08078	5.1
159.11711	40.3
161.13313	7.2
163.07553	8.7
165.09113	3.1
171.11690	3.8
173.09639	4.5
173.13243	15.7
175.14810	3.4
177.09117	38.7
187.11250	6.5
191.10704	7.3
201.16400	100.0
203.17961	11.8
218.94594	2.4
219.17412	3.7
229.15889	13.3
237.01436	2.3
241.90579	3.0
247.14519	4.0
247.16930	31.0
254.62236	2.2
266.71872	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	247.1695
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
54.37550	1.9
55.05513	14.4
56.96571	9.1
57.07066	4.1
59.05013	1.8
61.59357	1.6
65.03967	2.1
67.05506	8.7
69.07064	7.1
69.99227	6.7
69.99602	3.9
79.05506	12.0
81.07067	12.5
83.08614	5.8
84.04465	1.9
84.96032	5.7
91.05476	15.9
93.07056	27.1
95.08624	28.9
97.10167	2.3
98.20820	2.5
105.07046	31.7
107.08595	30.7
109.06538	2.2
109.10167	11.0
111.08074	2.6
117.07034	6.4
119.08595	55.3
121.10157	11.7
122.03660	4.2
123.08064	2.7
123.11722	2.5
125.09618	2.3
130.07811	2.8
131.08588	28.3
133.10153	71.9
135.08078	2.6
135.11693	5.6
137.05025	3.4
137.05995	45.6
139.07539	8.8
141.99362	2.2
143.08504	2.8
145.06479	3.6
145.10133	38.1
147.11702	11.3
149.05986	2.4
149.09537	3.9
149.13220	3.5
151.07538	8.6
153.09178	2.8
157.10074	4.4
158.07301	2.7
159.08063	6.3
159.11702	36.2
161.05905	2.7
161.13260	8.0
163.07550	9.9
165.09076	2.9
171.11723	3.6
172.08873	4.2
172.12401	1.9
173.06017	4.3
173.09627	6.2
173.13243	18.2
175.14841	3.9
177.09126	40.4
187.11176	5.1
187.14789	5.3
188.08415	9.2
189.09122	6.9
191.08740	1.9
191.10707	8.5
201.16400	100.0
203.10651	10.6
203.17975	15.4
206.05904	3.5
211.14876	2.3
215.06464	23.7
215.56653	4.4
219.08090	4.7
219.17462	3.6
224.06960	14.2
224.57207	2.7
226.57277	9.2
229.12271	2.9
229.15840	19.9
229.19495	4.4
235.57718	3.3
247.05557	2.9
247.07555	6.0
247.09807	8.2
247.13118	3.4
247.14490	2.4
247.16939	39.2
247.20560	13.6
247.24620	4.6
260.03674	2.5
263.05856	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	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
51.72007	1.2
52.32714	1.2
53.03938	1.6
55.05315	1.0
55.05515	11.9
56.96573	2.4
57.07090	1.7
61.55006	1.3
65.03930	2.3
66.40876	1.1
67.05505	7.8
69.07062	6.3
69.72287	6.8
79.05477	5.7
81.03346	1.2
81.07056	8.5
83.08639	6.1
84.95990	1.4
87.50010	1.3
91.05476	16.2
93.07047	23.1
95.08608	22.6
97.10167	2.8
105.07033	30.6
107.08603	30.3
109.06508	2.7
109.10184	7.0
115.05426	2.6
117.07018	7.1
119.08587	52.9
121.06493	2.3
121.10155	11.2
123.11692	2.2
125.09700	1.8
129.07036	1.7
130.07803	2.4
131.08578	33.9
133.10138	74.3
135.08051	2.6
135.11688	2.8
137.05972	7.8
139.07510	4.5
141.07036	2.0
143.08594	1.8
144.09338	1.9
144.11255	1.2
145.06458	3.6
145.10130	38.1
147.11705	12.0
149.06017	2.7
149.09618	4.2
151.07527	4.0
153.09134	2.3
157.10146	4.1
158.07263	1.6
158.10875	1.9
159.08069	5.9
159.11700	36.2
159.13033	1.8
161.13263	7.9
163.07530	8.8
165.09082	2.5
171.11798	2.6
172.12514	2.5
173.09604	4.8
173.13263	17.4
175.07576	1.4
175.14844	5.0
177.09114	49.1
179.10796	2.1
185.13338	2.1
187.11119	3.6
187.14801	2.8
188.08357	1.6
189.09052	2.4
190.50163	1.2
191.10767	6.2
201.16383	100.0
203.10674	2.0
203.17993	13.7
205.12178	1.4
212.78362	1.3
215.06549	6.6
219.08115	2.1
219.17435	4.9
224.06943	2.4
229.15858	21.0
232.76144	1.2
247.07632	2.4
247.09943	1.9
247.12939	1.4
247.14526	2.5
247.16939	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	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
51.88311	0.7
53.03938	1.2
55.05512	8.4
57.07064	1.7
63.88047	0.8
64.25443	0.7
67.05495	3.6
69.07079	4.9
71.52943	0.9
79.05481	6.0
79.87063	0.7
81.03421	1.0
81.07056	6.4
83.08622	3.8
91.05486	10.2
93.07050	16.2
95.04980	1.3
95.08608	17.6
97.10157	2.2
99.08063	0.8
105.07033	21.3
107.08601	19.9
109.06528	0.8
109.10176	4.5
111.08088	1.1
116.06232	1.6
117.07014	5.1
118.07773	0.9
119.08587	35.4
121.10136	8.0
123.11685	0.8
125.05996	1.5
128.06178	0.9
129.06911	1.2
130.07767	1.9
131.08578	24.3
133.10135	57.7
135.08054	1.8
135.11629	1.1
137.05962	2.4
139.07530	2.0
143.08548	2.2
144.09390	1.9
145.06421	1.8
145.10129	30.2
147.11717	8.3
149.05949	1.9
149.09622	2.5
151.07568	3.9
153.09085	1.8
157.10091	2.5
158.10948	0.9
159.08055	3.3
159.11703	29.1
161.13271	5.4
163.07552	7.0
165.09117	2.8
171.11746	1.5
172.12434	0.9
173.09634	3.6
173.13277	13.1
175.14856	2.2
177.09120	30.4
179.10674	2.8
185.13281	1.2
186.14037	1.4
187.11198	2.7
187.14771	2.4
189.09097	1.4
190.56599	0.8
191.10667	5.5
199.15063	0.7
201.16389	100.0
203.10637	1.1
203.17966	10.5
205.12263	1.8
211.14754	0.9
219.17451	4.3
224.06863	0.8
229.15871	12.9
229.19411	1.2
247.07599	1.5
247.09694	1.7
247.14787	1.1
247.16937	31.1
247.20630	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98684	0.5
55.01882	0.9
56.96569	31.4
57.03454	1.2
61.02937	0.7
67.05523	0.9
69.03446	1.8
70.44137	0.9
70.44470	1.0
70.98141	2.1
71.95276	1.9
72.96060	1.9
73.02906	2.4
74.76991	0.6
74.97615	0.6
77.38647	0.4
79.05495	6.8
81.03417	0.7
81.07064	2.5
83.04984	1.0
84.08151	1.9
84.96043	2.0
85.02921	2.1
86.09708	4.9
91.05486	1.6
93.07043	1.1
95.04959	0.7
95.08619	0.8
97.01395	0.6
97.02888	2.0
97.96799	0.5
98.97589	100.0
99.04496	0.5
99.97949	0.7
101.00814	0.5
102.96922	0.6
105.07010	1.2
107.08599	3.1
109.02835	0.5
109.06535	2.5
110.01363	0.5
110.97580	2.1
112.99149	1.6
115.00675	1.0
115.02428	1.7
116.00217	2.3
116.98627	33.6
117.49802	0.6
118.06559	1.1
119.01840	1.3
121.06519	1.5
123.01246	0.6
124.99144	0.9
125.05952	0.5
126.02267	1.5
127.00786	0.5
127.03856	0.9
128.98587	2.2
129.02226	1.0
129.03960	1.1
131.00137	0.8
132.10066	0.6
134.01228	1.2
134.99664	6.4
136.06230	0.5
137.05994	9.2
138.06317	1.3
140.00124	0.9
140.02275	0.5
140.03786	1.3
141.03958	0.6
142.05414	2.9
143.00128	0.6
143.01863	1.4
144.98024	0.8
145.03403	0.9
146.91821	1.0
146.99646	1.0
147.03281	1.0
153.02217	1.2
153.04036	0.7
154.03853	0.8
155.05482	0.7
158.01247	0.5
158.04884	2.2
158.99667	3.6
159.03154	0.8
160.03764	0.6
160.06483	2.6
161.03020	0.7
161.04568	2.0
163.04030	0.5
164.05826	1.5
164.07063	1.5
168.03569	1.2
169.04364	1.9
170.05048	4.4
171.03328	4.0
172.02979	0.6
172.05739	5.4
172.55870	0.7
173.01097	0.5
173.06499	1.1
177.00641	2.0
177.02177	0.5
177.04124	2.4
178.04845	1.6
179.05528	1.1
181.05928	1.2
181.07274	0.6
186.05827	0.5
188.05989	2.6
189.00655	1.4
189.04359	8.8
197.01167	0.7
197.05704	0.5
199.08078	1.8
205.00070	1.0
206.00464	2.2
206.07045	7.9
207.01740	1.1
207.05272	3.3
212.05779	0.8
215.02184	1.0
223.01024	0.7
224.02689	0.5
224.08093	6.7
225.05948	2.2
229.03479	0.6
230.07001	37.3
231.05235	1.9
239.08369	0.8
241.03740	0.6
243.06984	2.1
248.07924	52.1
266.08972	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	248.1647
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
51.63857	0.3
55.05516	11.7
59.05003	3.0
59.33803	0.3
83.04987	4.0
95.08591	0.3
101.06032	6.5
106.06574	0.4
107.04965	0.8
132.08087	1.5
133.08905	2.3
148.11220	54.9
182.40582	0.3
191.07022	0.5
207.13770	0.4
248.16481	100.0
249.07471	0.3
249.16806	0.6
262.36548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96943	4.2
70.01146	15.4
77.54683	3.4
98.97562	11.2
137.94150	3.5
177.88760	3.9
249.03728	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	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.8
55.01879	11.2
55.05490	2.5
57.03434	11.6
59.78559	2.2
61.02923	4.2
63.66987	1.8
67.05489	6.7
68.99780	6.3
69.03433	95.5
69.07046	2.3
71.04989	8.9
71.52394	2.4
73.02902	5.9
78.39999	2.1
79.05481	6.1
81.03423	48.1
81.07048	9.0
83.04964	4.3
85.02911	100.0
85.06539	4.3
87.00323	3.3
87.00835	44.0
87.04466	3.3
90.24345	2.1
91.05463	9.5
93.07038	9.1
95.04959	4.8
95.08597	8.0
95.53146	2.1
97.02895	46.8
97.06563	3.3
98.66451	1.9
99.03870	2.3
99.04468	33.9
100.43513	1.9
101.02365	4.2
104.38831	2.0
105.01878	11.9
105.07044	10.9
105.79180	2.1
107.04958	3.5
107.08600	3.6
109.02891	39.8
109.10172	3.9
115.05447	4.3
116.06267	2.9
117.07023	3.2
119.08562	5.6
121.06518	2.1
121.10149	3.9
123.04417	2.3
125.05954	2.1
127.03922	75.8
128.06227	4.1
129.01846	3.6
129.07013	12.2
130.25018	1.9
131.04898	2.7
131.08586	12.0
133.06497	3.9
135.04465	2.7
135.08081	2.9
137.05934	4.6
137.09618	4.8
141.06982	5.1
142.07751	3.2
143.08554	2.9
144.05685	5.0
144.30659	2.0
145.04947	8.8
145.06506	3.9
145.10045	2.3
147.04373	3.5
147.08080	3.4
149.09550	2.6
152.06226	2.3
153.05440	2.9
157.06477	4.2
157.10120	3.6
158.07333	2.8
159.08044	13.6
161.05983	4.2
161.09642	5.6
161.13303	2.4
170.07266	4.8
171.08047	2.8
171.11775	2.3
173.06050	2.8
174.06799	6.0
175.07581	6.1
175.11220	2.4
187.07559	9.4
189.09097	16.8
201.09097	3.4
203.07005	6.5
203.10658	5.2
204.07779	4.8
213.03893	3.1
219.10167	2.2
220.51701	1.9
221.11557	2.6
221.15282	2.2
231.04956	11.6
231.10194	12.0
231.13770	5.5
231.17343	3.6
234.06657	2.6
234.10399	2.1
249.05569	2.7
249.07632	6.3
249.09174	4.0
249.11273	50.0
249.14914	7.4
249.18497	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	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.02727	1.1
51.02351	1.1
53.03948	7.2
55.01874	10.8
55.05502	2.4
57.03434	1.8
65.03958	1.1
67.05507	7.1
69.03429	8.6
69.07059	2.2
71.04997	8.6
71.52585	1.5
77.03918	2.3
77.36139	0.9
79.05496	64.0
79.44321	0.9
81.03436	5.4
81.07041	3.2
83.04996	1.5
85.02895	6.9
85.06522	1.4
87.00807	2.7
91.05489	10.6
93.07046	3.6
95.04979	18.5
95.08602	2.0
97.02872	3.3
97.06516	3.9
99.04433	3.6
102.59586	1.0
103.05459	4.4
105.04512	3.0
105.07036	15.8
107.04958	100.0
107.08599	1.5
109.02874	3.8
109.06511	5.1
113.05988	3.4
115.05457	4.3
116.06203	1.8
117.07003	4.3
119.04948	21.7
119.08582	5.1
121.06529	2.6
121.10131	1.7
123.04434	6.3
123.08039	1.4
127.03919	3.1
128.06221	9.5
128.09930	1.0
129.07014	18.4
131.04948	7.7
131.08582	10.6
132.05762	1.2
132.39941	1.1
133.02867	1.4
133.06511	8.4
133.10133	3.9
135.04424	71.9
135.45033	1.1
137.05960	4.5
141.05461	9.7
141.06984	5.4
142.07799	11.5
143.04849	1.7
143.08574	16.7
144.05727	4.9
145.06491	5.4
145.10153	3.2
146.07301	2.5
147.04369	1.7
147.07996	3.3
147.11650	1.5
149.06009	2.5
149.09566	1.1
151.07620	1.7
152.06203	3.2
153.07054	1.4
155.06047	1.7
157.06487	6.7
157.10139	13.0
158.07234	1.1
159.08047	14.5
159.11665	2.4
160.05289	1.3
161.05968	4.0
161.09618	11.4
165.06990	2.0
167.07294	1.2
167.08545	6.0
169.06372	1.6
169.07649	2.7
169.10080	2.1
170.07268	6.4
171.08078	14.0
171.11746	1.1
172.05231	1.3
173.06009	1.9
173.09630	1.5
174.06801	1.8
175.07561	2.8
175.11224	3.3
185.09622	45.4
187.07579	9.3
187.11137	2.8
189.09100	26.7
189.12686	1.7
195.08061	4.9
198.06718	2.4
199.07607	1.2
203.01994	1.1
203.07053	2.4
203.10663	16.2
204.07797	5.5
205.08670	1.5
205.12248	1.3
213.09126	31.2
219.10144	1.5
221.06061	2.6
221.11699	2.3
231.10159	30.7
231.13823	2.4
234.06631	1.2
240.05003	0.9
249.11229	95.7
249.14771	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	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01865	1.0
57.03426	0.7
65.03944	0.5
65.41120	0.4
67.05476	1.2
69.03425	3.0
69.37209	1.1
69.37624	2.5
71.04955	0.5
79.05471	1.3
81.03413	1.6
81.07043	0.9
83.04965	0.8
85.02902	2.7
87.00808	0.9
91.05483	5.9
93.07031	0.7
95.04943	0.8
95.08619	0.8
97.02889	2.8
103.05459	1.1
105.07031	2.6
107.04955	1.2
107.08575	0.8
109.02836	0.8
109.24939	0.5
115.05455	3.1
116.06261	2.6
117.07042	2.4
119.04877	0.6
119.08613	0.6
119.36633	0.6
121.02858	1.7
121.10162	0.5
127.03921	1.5
128.06233	7.5
129.07013	16.7
130.07796	0.5
131.04942	1.8
131.08568	14.9
132.05835	0.6
133.06512	2.4
133.10124	1.6
141.07002	7.6
142.07809	2.6
143.04967	0.5
143.08566	3.1
144.05702	6.3
145.06485	3.8
146.07278	2.8
147.04410	1.1
147.08044	0.7
149.58014	0.5
152.06198	1.2
153.05653	0.4
153.06958	2.5
155.06027	1.0
156.05701	1.6
157.06509	6.5
158.07298	2.3
159.08060	22.2
160.05217	1.1
161.05966	2.8
161.09618	5.9
167.06985	1.1
169.06404	0.9
169.07649	2.4
170.07266	6.0
171.04393	1.0
171.08047	5.5
172.05190	2.8
173.05998	3.7
174.06757	2.2
175.07585	1.6
178.06303	0.7
184.05193	0.6
185.05942	1.0
186.06717	0.8
187.07555	14.2
188.08298	1.3
189.05476	1.7
189.09100	8.1
190.06284	0.6
191.06979	1.4
193.08582	0.7
198.06729	1.4
199.07588	3.0
201.05438	1.6
201.09059	0.7
203.07028	5.5
204.07822	10.6
205.08586	1.8
206.09462	0.7
216.07896	3.4
217.08649	0.7
218.09349	1.2
219.10120	1.3
221.08029	0.5
221.11737	2.4
231.10162	6.0
249.11226	100.0
250.11632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
53.03929	0.8
55.01871	0.8
57.03425	0.7
67.05507	1.2
69.03432	2.8
70.91471	1.0
70.91823	0.6
71.04948	0.7
72.97987	0.6
79.05466	0.8
81.03413	2.7
81.07050	1.1
85.02890	2.3
87.00834	1.3
91.05487	6.1
95.04968	0.7
95.08625	0.9
97.02888	1.7
97.06550	1.2
99.04422	1.0
103.05471	1.1
105.07010	2.4
106.14162	0.6
107.04940	1.3
109.02900	1.3
109.10179	1.0
115.05461	4.2
116.06223	2.8
117.07018	2.1
127.03910	2.8
128.06223	5.7
129.07011	16.9
131.04892	1.7
131.08583	14.9
132.05695	1.6
133.06485	2.3
133.10114	1.9
135.04424	0.5
139.05423	0.7
141.07002	7.4
142.07771	3.4
143.04984	0.7
143.08606	2.9
144.05721	7.8
145.06488	4.8
146.07275	3.8
147.04446	0.8
147.08034	1.2
151.07538	1.1
152.06230	1.0
153.07021	2.4
155.06027	1.2
156.05698	2.0
157.06519	8.4
158.07213	4.8
159.04379	1.6
159.08072	21.2
160.05205	1.1
161.05952	2.8
161.09604	6.0
162.06720	0.7
167.07028	1.2
169.07697	2.6
170.07291	5.6
171.04376	1.1
171.08051	5.3
172.05249	2.1
172.08823	0.8
173.06015	2.7
173.09601	0.7
174.06769	11.3
175.07530	2.5
177.09100	0.8
178.06305	0.8
185.06038	1.1
186.06705	1.0
187.07562	15.1
188.08313	2.8
189.05482	2.5
189.09119	34.0
190.06281	1.3
191.06992	1.8
193.08675	1.0
198.06738	1.6
199.07545	2.9
201.05492	1.8
201.09116	9.4
203.07039	5.2
203.08653	0.8
203.10648	2.8
204.07840	12.1
205.08615	1.3
206.07426	0.8
206.09448	1.0
208.07562	0.8
216.07767	3.1
217.08592	1.5
218.09323	1.3
219.10129	1.9
221.08066	1.2
221.11685	1.7
231.10199	7.1
231.13741	0.7
234.08984	0.7
249.11235	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	249.1487
Annotation	[3aR-(3aalpha,4abeta,5beta,6beta,9aalpha)]-3a,4,4a,5,6,7,8,9a-Octahydro-6-hydroxy-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.42926	2.2
53.03944	6.1
55.01865	2.6
55.05514	13.4
57.03432	2.6
59.05000	3.2
64.74170	2.1
67.05498	8.3
69.03430	18.3
69.07066	7.6
69.46228	16.4
71.04985	10.1
73.02901	2.1
79.05498	14.6
81.03416	6.0
81.07066	15.2
83.05000	12.0
85.02916	19.5
85.06535	5.8
87.00809	6.0
91.05486	19.5
93.07057	16.0
95.04980	12.4
95.08606	17.4
97.02879	8.2
97.06525	7.3
99.04485	10.9
103.05460	2.3
103.23093	2.7
105.01872	4.1
105.07040	32.3
107.04906	5.0
107.08594	26.6
108.84338	2.2
109.02905	4.4
109.06520	9.9
109.10198	5.0
111.04432	4.7
111.08087	3.8
113.06004	2.6
115.05450	7.0
117.07019	10.5
119.04884	2.8
119.08591	39.4
121.02867	2.3
121.06481	13.5
121.10147	16.3
123.04425	2.5
123.08060	7.5
123.11693	2.7
125.06029	2.9
127.03926	9.8
128.06215	6.3
129.07060	12.1
130.07753	2.8
131.04904	4.6
131.08594	21.9
133.06499	9.1
133.10144	20.1
135.04442	5.6
135.08063	100.0
135.11707	5.6
137.05975	8.7
137.09663	3.7
139.07477	3.0
141.06984	4.2
142.07790	11.8
143.08521	17.8
144.09380	4.1
145.06496	7.8
145.10138	22.5
146.07306	2.3
147.08052	18.1
147.11700	13.6
148.11229	6.1
148.44843	2.4
149.06046	3.9
149.09634	12.9
149.11540	9.9
151.03896	8.6
151.07559	5.7
155.08510	6.5
156.09364	6.4
157.06589	3.5
157.10149	21.9
158.07173	3.7
159.08028	9.9
159.11714	13.4
161.06007	5.6
161.09621	16.4
161.13246	6.6
162.06813	2.4
163.07549	9.7
163.11227	4.8
165.06926	3.7
165.09122	2.5
169.06459	3.3
170.10896	8.4
171.08139	4.5
171.11676	10.5
172.08798	3.2
173.06009	2.9
173.09595	11.2
173.13268	6.1
174.06763	6.5
174.11601	11.1
175.07536	7.7
175.11172	19.6
175.14824	10.4
177.09128	7.1
179.07001	2.4
180.09378	3.2
185.09599	6.0
185.13278	23.2
187.07570	4.2
187.11189	6.0
189.05203	2.6
189.09126	20.9
189.12740	12.5
191.07034	9.4
191.10735	3.4
193.08583	3.5
194.09392	6.1
195.11629	2.9
198.10365	4.1
201.09084	3.3
201.12723	4.6
203.07042	3.8
203.10617	8.2
203.14250	17.8
203.15604	11.0
205.08566	3.1
205.12231	23.5
207.13878	3.7
213.09232	2.5
213.12804	26.7
214.52617	2.6
219.13756	5.6
221.15372	5.6
231.10138	10.0
231.13576	38.1
249.07477	19.5
249.11197	23.3
249.14923	60.9
249.16846	24.5
259.68661	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	249.1851
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
57.07081	27.0
59.05005	0.4
69.51131	1.6
91.05470	0.4
93.07034	0.3
98.21499	0.3
100.61009	0.2
105.06998	0.3
107.08565	0.3
119.04897	0.3
119.08598	0.5
121.10201	0.2
125.09815	0.2
131.08600	0.3
133.06500	0.5
133.10153	0.4
137.05994	12.2
137.75009	0.3
145.06503	0.4
147.11674	0.4
149.85341	0.2
150.26443	0.2
157.06451	0.3
158.07277	0.5
161.09634	0.5
163.65042	0.2
174.06792	1.2
175.11200	1.2
177.09138	0.7
185.75446	0.3
188.08316	0.6
189.09131	2.5
193.12262	50.3
201.09084	1.0
202.32765	0.2
203.06964	0.3
203.10660	0.7
203.14478	0.3
203.17986	0.5
206.06567	0.2
231.10059	0.3
249.18517	100.0
250.18863	0.7
255.66676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
52.42169	0.6
52.93583	0.7
53.42004	0.6
55.05515	10.6
55.48895	0.6
57.07084	3.8
57.07314	0.7
59.05012	1.8
65.20032	0.7
67.05505	4.1
69.07069	5.8
69.25198	1.2
69.25598	5.0
73.13563	0.6
79.05489	2.5
81.07056	5.2
83.08633	4.2
91.05476	5.0
91.67310	0.7
93.07056	8.1
95.08611	13.7
97.06508	1.0
97.10166	3.9
105.07027	10.1
107.08603	13.5
109.10172	9.7
115.05466	0.8
119.08589	22.4
121.10154	8.0
123.11729	2.7
125.06026	1.0
125.09705	0.9
131.08549	1.6
133.10144	23.1
133.11111	1.5
135.08153	0.7
135.11684	4.3
137.05992	1.4
139.07532	1.8
142.06770	0.6
145.10135	0.9
147.08022	0.8
147.11690	18.6
149.09602	1.0
149.13287	2.7
151.07591	2.1
153.09113	5.5
157.06488	1.4
157.10133	0.8
158.07281	1.3
159.04362	0.6
159.11717	1.9
161.09630	0.7
161.13268	9.5
163.14841	1.2
165.09181	1.1
167.10701	6.1
174.06807	3.9
174.14091	1.6
175.11234	1.4
175.14865	3.9
177.09125	1.0
179.10710	1.9
188.08273	1.4
189.09134	11.1
189.16422	2.0
193.12280	3.9
201.09146	3.3
203.10703	2.3
203.17975	100.0
204.18304	1.0
205.19556	4.6
213.16431	0.9
221.19028	6.8
231.17459	4.2
249.09137	0.9
249.11348	2.7
249.16507	1.0
249.18518	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	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05270	1.1
55.05513	11.0
57.03428	0.8
57.07085	3.5
59.04984	2.3
67.05504	5.3
69.07061	5.7
69.28333	0.6
71.26297	1.4
79.05495	4.0
81.07061	6.7
83.08618	5.9
85.06560	0.8
91.05487	5.3
93.07041	9.2
95.04944	1.0
95.07991	1.2
95.08602	17.4
97.10177	4.0
97.59880	0.6
105.07024	11.8
107.07882	1.1
107.08591	19.4
109.06520	0.8
109.10154	13.4
111.04406	0.9
117.07021	1.2
119.08583	23.2
121.06606	0.8
121.10150	11.9
123.08111	0.8
123.11694	2.2
125.05975	1.2
125.09602	0.9
131.08548	2.4
133.10135	25.4
134.10448	0.9
135.11687	7.0
137.05984	1.0
139.07524	1.7
143.08492	0.8
145.10123	1.4
147.11688	21.0
149.13260	5.6
151.07535	0.9
151.11188	1.2
153.09102	6.4
158.07295	1.4
159.04428	1.1
159.11617	1.6
161.13264	8.6
163.14799	1.8
165.09081	2.1
167.10680	5.3
173.05980	0.9
173.13350	0.9
174.06720	4.9
175.11201	1.0
175.14838	4.6
177.09076	1.4
179.10645	2.3
188.08356	1.0
189.09076	12.4
189.16393	0.8
193.12268	3.1
201.09140	6.0
203.10649	3.1
203.17958	100.0
204.18404	1.0
205.19521	14.6
207.13869	0.8
213.16397	0.7
221.18988	5.0
231.10040	1.1
231.17485	4.7
249.09077	1.1
249.11250	2.8
249.18515	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03940	0.6
55.05240	0.6
55.05517	10.4
55.48857	0.4
56.00178	0.5
56.70164	0.5
57.03432	0.7
57.07080	2.5
59.05003	1.7
59.94390	0.5
66.85474	0.5
66.92897	0.6
67.05506	3.6
68.14088	0.6
68.50185	0.6
68.68353	0.5
69.07069	4.3
69.28220	2.1
69.28649	2.4
79.05498	2.3
81.07066	4.4
81.75399	0.5
83.08635	4.6
91.05486	2.8
91.37573	0.5
93.07055	6.7
95.04958	0.8
95.08614	13.8
97.10197	3.1
105.07040	10.6
107.08604	11.7
109.10169	8.7
111.08101	1.1
117.07042	0.6
119.08593	20.9
121.10154	7.4
123.08128	0.9
123.11724	1.8
125.06082	1.3
125.09692	0.7
131.08524	0.9
133.10141	23.9
135.08090	0.8
135.11711	4.1
137.06010	1.0
137.09624	0.6
139.07561	1.2
143.08611	0.6
145.10136	1.5
147.11699	18.9
149.09700	1.1
149.13254	2.0
150.05453	0.7
151.07573	1.3
151.11148	0.5
153.09116	5.0
153.71332	0.5
159.11714	1.4
161.09691	1.0
161.13268	8.7
163.14839	1.1
165.09181	2.6
165.12730	0.6
167.10704	5.5
174.06776	1.6
174.14009	1.5
175.11212	0.8
175.14787	2.7
179.10693	1.4
188.08315	0.6
189.09108	3.6
189.16418	0.8
190.04956	0.9
193.12163	1.2
201.09137	1.6
203.17976	100.0
204.18349	0.7
205.19591	4.8
207.13783	0.8
221.19019	6.4
226.04408	1.3
231.17471	2.9
237.87196	0.6
245.64806	0.6
249.11400	0.8
249.18523	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1076
Annotation	Semecarpifoline
Peak:m/z	Relative Intensity
50.08417	0.4
51.21217	0.3
51.55814	0.3
53.03941	0.7
55.01865	1.0
56.02602	0.3
56.05014	0.3
56.96569	7.0
57.03447	2.5
58.06596	0.4
61.02933	3.9
65.03929	0.6
67.05511	0.5
68.45882	0.3
69.03442	4.4
69.07044	0.3
70.98121	1.2
71.05007	0.5
72.08157	0.5
73.02924	4.7
75.01035	0.4
77.36522	0.4
79.05497	2.6
79.15325	0.3
81.03419	1.9
81.07058	2.8
82.02057	0.4
82.99885	0.3
83.04980	0.7
84.04530	0.4
84.96028	1.1
85.02914	10.3
86.09215	0.3
87.04476	38.8
91.03950	0.6
91.05479	1.3
93.01928	0.4
93.07037	0.6
95.08612	0.9
97.02344	0.6
97.02898	6.5
97.96788	0.4
98.77631	0.3
98.97593	13.3
99.04450	1.2
99.97913	1.0
100.99165	0.4
101.00866	2.2
103.00583	0.5
105.07047	0.5
107.08577	0.6
109.02876	1.9
109.06528	1.9
110.01265	1.1
110.97572	2.3
112.99151	2.3
113.00840	0.5
115.02435	1.1
115.34416	0.4
116.98615	2.4
118.06554	4.9
119.01837	3.6
119.07340	5.5
120.08120	0.5
121.06478	0.8
123.08070	0.5
124.99113	0.5
125.01765	0.5
126.32224	0.4
127.00626	0.3
127.03935	3.2
128.02328	1.5
128.98633	2.8
131.00250	1.8
131.01845	1.1
132.00600	0.5
132.03461	0.5
133.03444	1.1
137.02802	0.4
137.05989	8.5
138.06354	1.0
139.04250	0.5
140.02328	1.3
140.98550	0.6
141.09142	0.4
143.00191	0.9
143.01855	1.9
144.98061	0.8
145.01709	0.7
145.03448	1.4
145.04993	1.7
146.06126	0.4
146.99706	1.2
147.03137	1.0
154.03780	0.4
155.01877	0.7
155.02937	0.6
156.03618	0.7
157.01730	0.9
157.03479	4.5
158.99658	3.2
160.00049	0.6
160.03584	0.6
160.04881	3.9
160.53694	0.6
161.01282	0.4
161.02943	2.0
161.05611	1.0
163.02577	0.4
163.04427	0.5
164.07080	72.1
167.01974	0.5
168.01698	0.4
168.53737	0.4
168.55153	0.4
169.04192	3.4
169.05450	1.8
170.03377	0.8
170.99712	1.2
171.04108	0.4
173.01384	0.4
173.02971	1.2
173.04648	0.4
174.98978	0.4
175.02747	1.0
175.04535	2.4
176.03339	0.5
177.00761	1.9
177.04268	0.6
177.54347	0.7
178.04944	3.0
181.03372	0.5
182.03329	0.7
182.99763	0.6
185.02956	1.2
187.04472	1.6
189.00694	1.2
189.55511	0.4
190.01205	0.7
190.98753	0.5
191.02319	0.8
191.03906	2.4
192.02698	0.4
193.03806	0.6
199.04475	0.7
200.04378	2.3
201.00734	0.7
202.98573	0.4
203.04073	0.9
204.02823	0.8
205.00227	0.7
213.03459	1.0
213.06079	0.7
217.03773	0.9
217.05600	1.4
219.01724	0.9
220.04240	1.0
221.05101	1.0
227.03969	0.8
227.05989	1.0
232.06699	0.6
235.04749	0.9
237.03012	0.8
241.06691	0.6
245.05060	0.7
250.10774	100.0
251.11092	0.6
259.06775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08384	0.4
55.01866	0.8
56.96300	0.7
56.96569	10.2
57.03429	1.5
61.02913	1.5
68.20175	0.4
69.03434	2.6
69.57001	2.9
70.06589	0.5
70.98125	1.3
71.04954	0.5
71.95255	0.7
73.02903	1.7
73.03265	0.4
79.05067	0.8
79.05494	9.1
80.05769	0.6
81.03423	1.1
81.07063	5.3
83.04979	1.0
84.96025	1.8
85.02927	3.2
86.09697	0.6
86.97627	0.6
87.04475	36.9
91.05482	4.5
93.07030	0.8
94.04174	0.8
95.04942	0.8
95.08604	1.6
97.02891	5.1
97.96821	0.6
98.03202	0.5
98.97592	18.2
99.04472	0.6
99.97932	0.8
101.00870	0.9
105.07050	2.6
107.04961	0.5
107.08604	4.6
109.02938	0.6
109.06523	5.1
110.97588	2.6
112.99139	1.2
116.98620	3.1
117.02155	0.5
118.01023	1.0
118.06543	5.5
119.01904	1.3
119.04935	1.4
119.07324	6.3
121.06466	0.7
123.08076	1.3
124.99142	1.1
127.00686	0.6
127.01502	0.7
127.03906	0.6
128.02324	0.9
128.98621	1.9
131.00237	0.8
131.01865	0.7
134.99707	0.7
136.06165	1.7
137.05989	26.0
138.06387	2.3
140.02287	0.5
140.98558	0.6
141.09152	1.0
143.00154	1.3
143.01901	1.3
145.01704	0.7
145.03481	0.7
146.99641	0.6
152.04201	0.6
155.05502	0.9
158.99670	5.1
160.00055	0.6
160.03859	1.0
161.01262	0.9
161.02983	1.0
163.03960	0.5
164.05934	7.0
164.07094	69.6
164.98604	0.5
165.07420	0.6
169.04405	1.9
169.05562	1.1
170.99680	0.6
171.03217	0.8
172.97585	0.7
173.02953	0.5
173.06468	5.2
174.43340	0.4
175.02750	0.7
177.00742	1.8
182.06906	0.9
182.99661	0.6
183.03271	1.0
183.06873	0.8
185.01271	0.8
185.02934	0.6
187.04465	2.1
187.06322	0.8
189.04370	0.7
190.01344	1.2
190.98628	0.8
191.03928	1.0
196.04890	0.6
197.04828	0.9
199.06415	0.9
200.04483	0.7
201.00740	0.7
201.04218	0.7
201.07779	0.5
203.02332	0.8
203.04214	0.6
208.01405	1.3
209.04910	1.0
215.06027	0.7
217.07562	0.7
219.01791	1.5
219.05057	0.5
227.05887	2.4
230.05003	0.5
235.08269	0.5
237.02818	1.0
245.07034	1.4
250.10797	100.0
251.11095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
56.44868	0.2
56.96581	0.3
57.03425	0.7
61.02929	0.9
64.22996	0.3
64.82599	0.2
67.85687	0.3
69.03429	2.3
69.69591	0.6
69.70003	1.0
70.06580	2.2
71.04973	0.3
72.08155	0.2
73.02917	0.4
73.35802	0.2
74.99235	0.2
81.03414	1.0
81.07063	0.2
84.08114	0.4
85.02905	14.6
87.04469	1.0
88.07630	100.0
90.46519	0.2
91.05457	0.2
97.02879	2.3
97.06480	0.3
97.27062	0.3
98.21469	0.5
98.97577	0.5
98.98464	1.4
99.04442	0.4
107.04913	0.3
109.02856	1.3
115.03935	0.4
127.03915	2.4
134.09663	0.6
136.06195	1.8
136.12622	0.3
145.04961	1.7
146.49358	0.2
150.26999	0.3
158.84958	0.2
160.11247	0.3
164.07045	1.3
174.11287	0.3
204.10199	0.6
227.06305	0.3
250.10806	7.4
250.13037	1.7
250.18192	1.0
274.05206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	0.5
55.01884	0.4
55.05529	0.7
57.03458	0.5
59.05022	0.5
67.05524	0.7
69.03439	0.8
69.07074	3.2
70.03762	0.4
70.06615	0.5
71.52058	0.5
73.06571	0.7
78.82972	0.3
79.05514	1.2
81.03444	0.4
81.07085	0.9
85.02925	1.1
86.03278	0.5
87.04497	0.5
89.83839	0.3
91.05504	0.7
94.04076	0.7
97.02920	0.5
97.06535	2.8
98.03205	0.3
98.09735	0.3
98.97597	0.4
98.98482	2.3
110.03513	0.8
118.06549	4.2
119.03554	1.8
120.08117	0.8
127.03942	0.4
128.04320	0.6
135.03023	1.5
136.06192	87.9
137.04604	0.6
150.09152	3.8
151.03972	0.3
152.05687	18.4
153.04108	1.0
161.78955	0.3
164.07109	0.9
173.65176	0.3
174.07739	1.1
183.50099	0.4
198.05505	0.3
204.06639	0.4
215.07733	0.3
232.11841	0.7
250.12907	100.0
251.13072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0917
Annotation	CHEBI:67768
Peak:m/z	Relative Intensity
53.03951	3.1
55.01878	7.7
55.05491	1.9
57.03440	3.2
61.29128	1.2
65.03951	2.1
67.05512	11.4
68.99786	3.3
69.03442	27.1
69.07056	1.6
69.71146	3.6
69.71561	3.5
72.08159	2.4
73.36091	1.3
79.05502	20.0
81.03412	6.1
81.07064	18.9
83.01351	2.5
83.04996	10.3
84.08128	1.3
85.02910	43.0
86.48294	1.2
91.05486	25.0
93.07045	5.2
95.04984	23.4
95.08591	2.5
97.02898	16.9
97.06549	3.0
98.19257	1.5
98.98474	68.3
103.05472	4.9
105.03404	1.8
105.04520	1.9
105.07037	11.2
107.04961	20.7
107.08585	2.8
109.02869	3.0
109.06522	21.9
111.04433	5.3
115.05462	4.9
117.07013	6.0
119.04947	12.1
119.08581	3.2
121.02866	2.2
121.06512	16.7
123.04436	21.9
123.08092	2.0
125.02349	1.6
125.06002	4.4
127.03944	2.0
128.06239	2.0
129.07021	5.1
131.04906	2.6
131.08571	6.5
133.06512	9.1
135.04427	3.5
135.08078	5.1
136.06224	2.7
137.05980	100.0
139.03789	1.7
139.07523	2.2
141.07005	6.1
144.05745	2.4
145.06496	6.0
145.10147	1.6
147.04443	2.3
147.08054	3.3
149.05984	6.1
149.09616	2.7
150.09142	7.2
151.07581	3.4
151.09534	11.4
153.05521	2.0
157.06531	2.3
159.08066	10.1
161.05978	7.5
161.47087	1.5
163.03915	1.4
163.07533	9.7
165.05502	3.0
167.07108	4.1
169.06415	3.2
173.05998	7.6
174.99146	2.3
175.07533	4.0
177.05409	2.1
177.09117	5.7
179.07072	2.9
187.07588	12.9
187.11188	1.9
189.05470	7.5
191.07042	7.2
203.07074	3.1
205.08665	10.2
207.06560	2.2
209.07935	1.7
213.84344	1.7
215.07060	9.0
223.09650	2.5
233.08081	23.5
251.06702	2.9
251.09151	35.8
251.14812	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	251.0916
Annotation	CHEBI:67768
Peak:m/z	Relative Intensity
53.03938	2.6
55.01863	6.3
55.05508	5.4
57.03424	2.0
61.37671	1.6
61.38068	1.3
67.05513	9.5
68.99774	4.6
69.03439	20.7
70.06575	1.5
70.08931	6.4
70.09251	1.2
71.01333	1.9
71.04976	4.3
72.86020	1.3
79.05502	19.3
81.03406	5.5
81.07059	21.0
83.01326	5.2
83.04507	1.8
83.04987	34.3
85.02912	67.8
91.05488	18.4
93.07030	5.6
95.04978	21.2
95.08601	3.0
95.93551	1.4
97.02898	33.6
97.06526	2.8
98.20752	1.9
98.98479	49.0
99.04469	2.1
101.80447	1.4
103.05470	3.5
105.07034	11.1
107.04967	13.8
107.08591	2.4
109.02899	3.3
109.06523	35.5
111.04452	5.4
115.05440	4.6
116.06284	2.3
116.99480	1.5
117.07045	7.3
119.04990	7.0
119.05729	1.3
119.08580	2.5
121.02900	1.8
121.06509	9.9
123.04448	37.8
123.08059	2.8
125.02347	2.2
125.05985	6.5
125.54002	1.4
127.03941	3.9
128.06224	1.6
129.05473	1.6
129.06987	3.2
131.04935	4.7
131.08563	11.1
133.06491	8.8
135.04399	5.6
135.08096	8.4
136.06128	2.0
137.05986	100.0
141.06976	5.0
144.05696	2.6
145.06480	8.3
147.04500	1.9
147.08037	5.0
149.06052	7.4
149.09641	2.1
151.07542	5.8
153.05490	2.3
159.04398	2.2
159.07056	1.3
159.08089	14.1
161.06000	10.3
163.07574	9.9
165.05484	4.1
167.07027	4.9
169.06447	2.5
173.05980	4.0
175.07552	3.6
177.05531	2.5
177.09154	8.6
179.07053	6.0
181.08685	1.4
187.07556	10.1
189.05470	5.4
189.09067	1.9
189.58246	1.3
191.06990	8.4
205.08656	15.7
207.06535	4.9
215.06999	7.1
217.86786	1.4
221.08182	2.6
221.54982	1.5
223.09705	4.1
233.08095	23.9
233.11670	1.8
251.07080	2.2
251.09157	53.2
251.13077	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	251.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65392	1.5
53.03935	3.5
55.01871	5.1
55.05516	3.3
56.96570	35.0
57.03434	3.9
58.99851	1.7
61.02922	6.5
67.05505	18.4
68.47295	1.5
69.03439	11.9
69.07073	2.2
69.50368	1.5
69.94959	4.8
69.95373	3.0
70.06593	1.7
71.04996	3.8
71.95232	1.7
72.08154	8.8
73.02910	5.4
74.97623	2.4
79.05501	59.2
80.05848	1.5
81.03416	6.2
81.07066	19.8
83.04972	4.9
84.08153	4.4
84.96039	4.8
85.02925	10.6
85.06535	2.1
87.04472	8.1
88.04792	2.0
91.05488	14.4
93.07046	22.4
95.04980	11.2
95.08617	51.5
96.08958	4.0
97.02921	7.8
97.06556	2.0
98.01343	1.8
98.97594	41.3
98.98471	100.0
101.00887	6.1
102.53136	5.1
105.07040	60.7
106.07405	3.1
107.08600	6.9
107.61379	1.8
108.03373	3.8
109.02869	2.8
109.06511	6.6
110.07169	5.3
110.97580	9.0
111.04440	2.0
111.08092	10.9
111.53638	4.5
112.07630	9.0
112.99158	2.5
113.00878	3.9
115.02462	1.7
116.98640	12.6
117.03864	2.7
119.01929	8.1
119.05215	2.1
119.97412	1.9
121.05035	2.7
121.06509	19.6
122.06864	2.8
122.09694	3.6
123.08074	55.3
123.08981	3.6
124.08361	2.7
124.99065	3.2
125.05245	6.1
127.02427	2.1
127.03971	2.0
127.52359	1.6
128.02362	1.6
128.05762	4.9
128.98611	5.7
129.02242	1.8
129.03862	1.8
130.08646	14.4
131.01910	6.8
133.04987	1.9
134.05801	6.9
135.24715	1.8
137.05997	18.8
139.07513	2.6
141.09114	61.8
142.09424	4.0
143.00146	3.8
143.01877	8.5
143.06305	2.2
144.98116	3.0
145.03410	7.6
146.99649	4.0
148.05453	2.2
148.06497	9.9
148.56242	2.3
152.04146	6.0
154.06525	8.6
154.56299	2.2
155.01923	5.0
156.03368	7.6
157.03482	6.9
157.07027	4.2
157.56781	5.0
158.04062	2.1
158.99684	16.0
159.04993	2.4
160.06476	2.4
161.02968	7.2
161.04701	13.0
163.04985	2.9
163.06039	5.6
163.07072	7.4
163.56812	7.1
164.05925	6.9
164.07034	6.7
165.07458	11.7
165.08699	2.0
166.00520	2.0
168.03323	3.5
169.07010	5.4
170.99721	1.8
171.55099	3.5
171.56563	2.2
172.06702	51.5
172.57132	8.1
173.01347	2.6
173.02925	6.2
173.04611	3.1
173.06474	4.6
174.04480	3.5
174.55205	14.8
174.99228	7.4
175.00833	2.5
177.00739	5.6
177.04263	1.9
178.07553	9.4
180.05431	4.8
180.55580	11.9
181.07297	30.6
181.57205	2.4
182.05312	3.9
182.07100	3.6
183.57278	2.5
185.02980	4.3
185.04861	6.7
186.04407	9.9
187.04488	1.9
187.08084	6.6
189.05986	11.2
189.56165	4.9
190.01601	2.7
197.04846	5.8
197.06543	3.5
199.08112	12.2
200.08498	2.2
201.00734	3.7
203.02327	2.7
203.04103	3.7
203.05830	3.6
204.05452	4.5
205.00130	2.8
205.08713	2.1
211.02863	2.6
211.08203	5.3
215.05949	3.5
219.01898	5.0
221.05066	6.1
221.08327	1.7
223.08151	23.6
225.09756	2.7
228.05788	2.6
229.03851	2.7
231.08813	2.8
235.08070	4.9
237.09760	1.8
241.09273	10.5
242.10825	3.7
250.57675	1.7
250.60094	2.7
251.07120	2.1
251.11174	35.4
251.13885	7.3
252.08670	1.7
252.12233	2.6
253.03969	1.9
253.09227	5.1
257.07089	2.2
259.04904	1.9
259.10242	9.2
265.09225	6.6
271.10275	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	251.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
53.51532	1.9
55.01878	9.1
55.05515	3.9
58.15242	2.1
61.02937	2.4
65.03955	3.2
65.66325	1.8
67.05509	17.6
69.03444	8.3
69.07075	2.9
69.40826	16.3
70.79611	1.9
71.05005	11.8
77.03909	2.4
79.05505	32.0
81.07062	39.2
83.04986	6.8
83.08626	3.5
83.50214	2.0
85.06551	20.5
91.05474	26.3
93.07054	66.9
95.04974	29.3
95.08611	8.5
97.06536	18.0
98.98468	12.7
99.04456	6.7
105.07037	55.4
107.04966	22.4
107.08611	17.5
109.06530	48.2
109.70226	1.8
111.04459	3.1
111.08112	13.6
111.08750	2.8
113.06042	3.4
115.05459	2.3
116.06261	3.0
117.07041	20.1
119.04954	49.8
119.08592	17.6
121.06521	47.6
121.10143	2.6
125.06007	7.2
127.07565	13.9
129.07045	6.8
130.07794	7.7
131.04953	2.6
131.08578	17.0
133.06494	9.7
133.10127	9.8
135.08090	7.1
135.11736	4.2
137.05963	13.5
139.07547	32.5
141.07030	6.0
143.06985	2.6
143.08588	8.6
144.09373	6.0
145.06493	10.9
145.10138	82.4
147.08032	3.4
147.11687	6.8
148.08804	3.1
151.03954	3.3
151.07545	5.8
154.07758	10.1
155.07199	2.6
155.08517	4.5
157.08649	18.6
157.09947	4.1
158.07286	6.1
159.08099	7.9
159.11700	40.0
161.09654	4.3
161.13283	2.3
163.07576	2.6
163.11197	97.1
167.08627	2.4
169.10129	20.1
171.11787	2.3
172.08836	3.9
173.06097	2.6
173.09633	31.7
177.12779	7.9
179.08559	8.9
181.06644	2.2
182.07339	6.3
187.11203	82.2
189.12758	3.9
190.07777	3.8
191.08633	7.6
191.10699	15.6
197.09647	31.6
205.12280	34.2
208.08829	11.8
215.10701	100.0
219.08076	9.5
221.08070	2.9
233.11739	61.7
236.08395	7.0
251.06860	4.9
251.10809	39.8
251.12959	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	251.1279
Annotation	Norsecoglutinosone
Peak:m/z	Relative Intensity
55.01881	1.2
55.05514	1.1
57.03444	24.2
59.05009	1.3
66.61814	0.8
67.05511	1.1
69.03422	1.6
69.76228	5.0
79.05495	2.9
81.07059	2.7
83.04993	1.0
91.05488	15.2
93.07047	2.2
95.04991	2.1
95.08608	1.9
97.06546	2.1
98.20829	1.1
98.98478	41.0
99.08129	1.0
105.07049	4.2
107.04974	1.7
107.08608	1.7
109.06506	1.9
115.05476	4.4
117.07018	3.5
119.04944	9.2
119.08547	1.3
121.06484	2.4
121.10168	0.9
123.04454	2.4
128.06187	1.1
129.07022	2.2
131.04939	2.0
131.08585	2.6
133.06490	2.5
133.10179	1.8
135.04454	1.4
137.05991	100.0
137.40866	0.9
141.06947	1.2
143.04895	4.7
143.08571	1.5
145.02873	1.2
145.06514	4.6
145.10129	2.2
147.04472	1.3
147.07999	1.0
149.06012	3.5
151.03912	1.6
157.06512	1.8
159.08119	2.5
160.05138	1.2
161.05997	16.6
163.04002	1.2
163.07553	2.4
169.10129	1.5
173.06047	3.4
173.09653	1.7
174.06755	1.4
174.99323	2.1
175.07512	2.4
177.05504	2.6
177.09149	3.3
179.07047	0.9
187.07552	1.2
187.11200	2.8
187.15044	1.0
189.05505	1.2
189.09145	3.3
191.07059	9.6
191.10663	0.9
192.06606	1.8
197.09680	1.3
203.07043	1.3
205.08545	1.5
205.12341	2.2
206.62196	0.8
212.06752	0.8
215.10692	7.9
233.08199	2.0
233.11734	34.9
233.15355	1.4
234.07819	1.0
245.09850	0.9
251.07050	1.7
251.09108	1.9
251.10406	1.2
251.12782	12.7
251.16568	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	251.128
Annotation	Pterosin T
Peak:m/z	Relative Intensity
53.03945	6.0
53.51532	1.9
55.01878	9.1
55.05515	3.9
58.15242	2.1
61.02937	2.4
65.03955	3.2
65.66325	1.8
67.05509	17.6
69.03444	8.3
69.07075	2.9
69.40826	16.3
70.79611	1.9
71.05005	11.8
77.03909	2.4
79.05505	32.0
81.07062	39.2
83.04986	6.8
83.08626	3.5
83.50214	2.0
85.06551	20.5
91.05474	26.3
93.07054	66.9
95.04974	29.3
95.08611	8.5
97.06536	18.0
98.98468	12.7
99.04456	6.7
105.07037	55.4
107.04966	22.4
107.08611	17.5
109.06530	48.2
109.70226	1.8
111.04459	3.1
111.08112	13.6
111.08750	2.8
113.06042	3.4
115.05459	2.3
116.06261	3.0
117.07041	20.1
119.04954	49.8
119.08592	17.6
121.06521	47.6
121.10143	2.6
125.06007	7.2
127.07565	13.9
129.07045	6.8
130.07794	7.7
131.04953	2.6
131.08578	17.0
133.06494	9.7
133.10127	9.8
135.08090	7.1
135.11736	4.2
137.05963	13.5
139.07547	32.5
141.07030	6.0
143.06985	2.6
143.08588	8.6
144.09373	6.0
145.06493	10.9
145.10138	82.4
147.08032	3.4
147.11687	6.8
148.08804	3.1
151.03954	3.3
151.07545	5.8
154.07758	10.1
155.07199	2.6
155.08517	4.5
157.08649	18.6
157.09947	4.1
158.07286	6.1
159.08099	7.9
159.11700	40.0
161.09654	4.3
161.13283	2.3
163.07576	2.6
163.11197	97.1
167.08627	2.4
169.10129	20.1
171.11787	2.3
172.08836	3.9
173.06097	2.6
173.09633	31.7
177.12779	7.9
179.08559	8.9
181.06644	2.2
182.07339	6.3
187.11203	82.2
189.12758	3.9
190.07777	3.8
191.08633	7.6
191.10699	15.6
197.09647	31.6
205.12280	34.2
208.08829	11.8
215.10701	100.0
219.08076	9.5
221.08070	2.9
233.11739	61.7
236.08395	7.0
251.06860	4.9
251.10809	39.8
251.12959	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	251.1279
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
50.86224	1.3
53.03938	2.3
55.01867	5.8
55.05509	5.0
59.04988	1.6
65.22799	1.2
65.60526	1.3
65.89556	1.5
67.05508	12.4
69.03427	14.4
69.07076	9.4
69.65927	7.9
71.04990	12.3
75.47386	1.2
79.05499	17.9
81.03423	2.7
81.06600	1.5
81.07059	27.0
81.13500	1.2
83.04485	1.2
83.04971	6.7
85.06536	6.2
85.43102	1.3
88.44028	1.2
91.05483	21.3
93.07054	31.2
95.04974	17.5
95.08582	8.1
97.06541	11.3
98.98470	41.8
99.04462	18.3
103.05444	3.2
105.07033	45.0
107.04963	10.1
107.08594	15.5
109.02895	1.7
109.06527	26.8
109.10172	2.0
111.04432	3.6
111.08080	5.6
113.05951	2.7
115.05413	3.4
117.07029	17.7
117.12248	1.4
119.04942	7.0
119.08579	19.6
121.06512	25.4
121.10124	4.5
123.04451	2.5
123.08071	2.3
125.05994	9.1
125.09633	1.5
127.07552	3.8
128.06229	3.4
129.07051	7.2
130.07779	6.8
131.04936	2.3
131.08586	29.8
133.06485	8.5
133.10155	8.4
135.04437	2.2
135.08022	7.0
135.11691	4.4
137.05971	24.0
139.07565	12.1
141.07010	4.1
142.07764	2.7
143.07532	1.2
143.08583	10.6
144.09357	10.4
145.06482	12.8
145.10129	84.2
147.08028	4.0
147.11630	3.9
149.06024	3.8
149.09637	4.7
151.07559	5.5
154.07756	5.0
155.08534	2.4
156.09320	2.0
157.08638	5.3
157.10025	2.3
158.07292	6.7
159.08064	6.2
159.11703	50.0
161.05939	1.5
161.09744	1.9
161.13266	3.3
163.07516	4.5
163.11189	21.3
165.07025	2.0
169.10138	14.1
171.08015	1.7
171.11661	5.1
172.08858	3.8
173.06038	2.3
173.09628	41.9
174.99136	3.5
177.09094	2.8
177.12695	6.7
179.08568	6.4
181.12212	3.7
182.07303	2.9
187.11191	100.0
189.09109	2.4
189.12741	5.1
190.07785	4.3
191.07047	2.6
191.08577	7.5
191.10669	30.4
197.09612	16.0
205.12248	63.0
208.08812	2.8
209.11668	2.7
215.10683	90.7
219.07996	5.2
233.11748	77.4
233.15297	2.8
236.08362	2.3
251.06967	3.8
251.10629	23.5
251.12816	42.8
251.16335	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	251.128
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
53.03947	5.0
54.64349	1.6
55.01871	12.1
55.05504	5.9
61.02905	2.4
65.03941	4.2
67.05515	17.0
69.03430	7.0
69.07056	8.5
69.64162	7.3
71.05006	12.1
77.03931	1.9
77.13224	1.7
79.05499	39.1
81.03442	1.9
81.07063	45.1
83.04969	7.3
83.08651	1.9
85.06540	8.3
91.05488	24.4
93.06487	3.4
93.07053	60.0
94.13440	1.8
95.04980	33.8
95.08609	9.3
97.02872	2.0
97.06539	30.5
98.97575	2.1
98.97726	2.1
98.98476	43.5
99.04448	5.2
103.05486	2.0
105.04520	2.1
105.07046	48.6
107.04964	35.2
107.08605	16.8
109.06528	41.5
109.10143	2.8
111.08102	12.0
113.05990	2.1
115.05460	3.3
117.07024	16.2
119.04948	34.3
119.08585	18.1
121.05676	3.3
121.06519	56.2
121.10152	6.0
123.04440	3.5
123.08053	2.7
125.06011	7.0
127.07577	7.1
128.06190	3.6
129.07024	4.8
130.07794	4.9
131.08586	16.3
133.06470	14.0
133.10129	6.7
135.04370	3.0
135.08073	9.2
135.11719	9.5
137.05992	35.9
139.07552	33.2
141.06982	7.4
143.07094	2.3
143.08560	8.8
144.09355	5.6
145.06454	11.2
145.10136	74.9
147.08063	4.6
147.11713	8.8
148.08878	2.1
151.07483	2.4
153.07047	2.0
154.07813	6.2
155.08534	5.2
157.08640	24.2
157.09996	3.6
158.07283	7.4
159.08145	8.2
159.11696	29.9
161.05899	1.7
161.13246	2.3
163.07536	3.1
163.11195	100.0
167.08557	2.8
169.10143	16.5
171.11699	5.3
172.08803	3.2
173.09641	30.9
173.13287	1.6
174.26471	1.7
174.99298	2.6
175.07463	2.0
177.12762	3.0
179.08575	10.1
181.06454	2.0
181.12273	4.6
182.07309	7.4
187.11197	70.5
189.12758	5.5
191.07094	1.8
191.08961	2.7
191.10690	36.6
193.08600	1.8
197.09651	28.7
205.12273	22.9
207.13750	1.8
215.10695	96.4
229.11020	1.7
230.08142	3.0
233.11754	49.9
233.15294	2.6
251.12787	23.3
251.16350	4.1
267.55603	1.5
272.02661	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03149	0.6
53.03944	1.3
55.01870	1.3
55.05506	2.3
63.83350	0.5
65.03933	1.1
67.05509	6.3
69.03436	3.0
69.07069	4.7
70.80285	1.8
71.04990	2.3
79.05497	11.5
81.03423	1.0
81.07065	7.3
81.75319	0.6
83.04980	2.0
85.06538	0.8
91.05472	5.8
91.19158	0.5
93.06489	0.8
93.07047	9.1
95.04980	5.8
95.08612	3.5
97.02903	0.6
97.06543	3.9
98.53647	0.5
98.98470	13.4
99.04451	2.8
103.05466	1.0
105.06404	0.6
105.07038	14.5
107.04964	14.1
107.08601	7.9
109.06517	4.2
111.08040	0.7
115.05448	1.1
117.07035	6.3
119.04948	2.1
119.08578	5.5
121.06506	13.3
121.10142	2.7
123.04385	0.7
125.06003	1.7
128.06229	1.1
129.07022	2.1
130.07784	3.0
130.92462	0.5
131.08566	6.0
133.06491	2.2
133.10130	1.3
135.08054	2.6
135.11676	3.0
137.05963	3.9
139.07533	3.0
141.06995	0.6
142.07806	0.8
143.08563	2.1
144.09363	1.5
145.06502	2.6
145.10135	34.5
147.08064	1.5
147.11682	3.7
148.08836	3.8
149.09544	0.6
151.07526	0.6
153.05426	0.6
154.07750	1.0
155.07176	0.5
155.08548	0.8
157.08623	1.0
157.10045	0.7
158.07256	1.6
159.08086	1.2
159.11710	8.5
161.09645	0.7
161.13266	1.0
163.11188	100.0
169.10153	2.7
171.11707	1.5
172.08902	0.9
173.09637	13.1
174.99245	1.0
177.12704	0.9
179.08501	1.0
187.11186	17.8
189.09149	0.5
189.12764	1.6
191.10678	12.6
197.09647	1.9
205.12204	7.9
209.11696	0.6
215.10692	15.0
233.11734	12.7
251.12837	4.4
269.09799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01865	1.8
55.05507	2.0
57.03442	0.6
57.45151	0.6
64.92340	0.5
65.03944	1.1
67.05176	0.7
67.05511	7.4
69.03435	3.3
69.07063	3.9
70.64077	1.6
71.05009	4.3
79.05500	13.6
81.07066	7.8
83.04996	2.8
83.08608	0.7
85.02909	0.6
85.06554	1.0
91.05479	8.0
93.07053	11.6
95.04979	7.4
95.08622	4.6
97.06529	4.6
98.98476	19.9
99.04445	3.1
103.05464	1.3
105.04523	0.6
105.07038	18.1
105.47263	0.5
106.07442	0.6
107.04964	15.4
107.08611	6.7
109.06529	5.8
109.10150	0.8
111.08069	0.7
113.06068	0.9
115.05479	1.1
117.07015	7.1
117.82535	0.6
119.04935	2.3
119.08594	6.1
121.06516	12.6
121.10130	3.5
123.04414	0.9
125.06005	2.5
128.06175	0.7
129.07042	2.6
130.07802	3.2
131.08585	6.8
133.06488	3.9
133.10121	2.1
135.04477	0.7
135.08041	3.4
135.11697	3.8
137.05984	3.7
139.07539	2.3
139.42761	0.5
141.07019	1.4
142.07799	0.7
143.08578	3.4
144.09331	1.5
145.06509	3.5
145.10129	38.2
147.08046	2.7
147.11710	3.1
148.08818	3.2
149.05977	1.3
149.09631	1.5
151.03932	1.8
151.07552	1.0
153.05478	1.1
154.07768	1.3
155.07202	0.6
155.08546	1.4
156.09364	0.6
157.08649	1.0
157.10147	1.0
158.07286	1.6
159.08061	2.1
159.11694	10.8
161.09674	0.9
161.13257	1.2
163.11191	100.0
169.10114	2.8
171.11694	0.8
172.08865	1.3
173.09636	13.8
174.99240	1.9
177.12781	2.1
179.08603	1.2
181.12300	0.8
182.07266	0.6
187.11211	20.2
189.09102	0.6
189.12753	1.6
191.06998	1.1
191.10678	14.7
197.09631	3.6
205.12253	8.4
212.86877	0.6
215.10696	16.1
221.08069	1.0
233.08119	0.9
233.11746	14.2
233.15344	1.3
251.06953	0.6
251.09145	1.3
251.12761	5.9
251.16457	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1279
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03948	8.5
53.60148	2.9
55.01874	5.7
55.05499	7.5
57.03418	3.8
63.92569	3.1
65.03932	3.1
67.05505	24.6
69.03433	13.7
69.07067	8.8
71.04990	19.2
71.12906	6.1
79.05490	27.0
81.03417	5.8
81.07058	34.5
83.04983	12.3
85.02890	7.6
85.06542	12.7
91.05471	29.2
93.07047	51.1
93.64196	3.1
95.04958	23.5
95.08619	13.3
97.02883	4.1
97.06518	18.3
98.98472	99.9
99.04466	20.3
100.13745	3.0
103.05448	7.1
105.07038	56.8
107.04932	10.0
107.08595	19.6
109.06510	24.5
109.10188	6.1
111.04431	4.6
111.08096	7.9
112.82934	3.0
113.05965	6.0
115.05460	9.8
117.07019	25.1
119.04956	15.8
119.08584	21.3
121.06509	30.4
121.10139	6.7
123.07977	2.8
125.05994	6.5
127.07600	7.6
128.06245	7.1
129.07016	27.6
130.07796	5.7
131.04922	5.4
131.08582	33.5
133.06505	10.5
133.10136	6.8
135.08095	10.5
135.11700	4.2
137.06001	30.8
137.09615	3.3
139.07503	19.6
141.06975	7.2
143.08566	11.8
144.09323	7.0
145.06535	18.2
145.10133	93.9
147.04457	4.6
147.08040	7.5
147.11739	6.1
149.09669	5.6
151.03929	7.4
151.07521	3.5
154.07797	6.7
155.08568	3.6
157.06508	20.2
157.08620	10.6
157.10004	4.0
158.07291	9.5
159.08076	6.7
159.11707	51.8
160.20573	3.6
161.05971	7.3
161.09753	4.1
163.07600	4.9
163.11200	21.8
167.10667	8.0
169.10081	14.4
171.04414	12.8
171.11740	3.5
172.08878	7.6
173.06007	7.6
173.09634	46.0
174.99236	6.3
177.09169	3.5
177.12762	13.2
178.07764	3.3
179.08644	5.0
182.07288	4.9
187.07555	6.1
187.11191	100.0
187.12845	6.4
188.08376	5.0
189.05489	28.4
189.09021	5.1
189.12755	4.3
191.07095	18.0
191.08823	5.0
191.10638	31.3
197.09657	18.1
203.06891	3.1
205.12251	45.3
215.10678	88.7
221.07938	5.6
233.08044	12.6
233.11745	77.9
233.15340	4.2
251.07063	10.5
251.10757	4.4
251.12825	35.4
251.16417	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	252.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01867	2.1
55.05500	1.1
56.96567	43.1
57.03428	1.8
61.02928	4.0
65.03947	1.9
67.05495	1.0
67.44224	0.7
69.03438	5.3
69.38053	5.7
70.06596	1.4
70.98127	3.6
71.01344	0.8
71.05003	3.6
71.95258	1.6
72.08163	1.3
73.02921	4.1
74.06068	3.1
79.05074	1.2
79.05497	14.3
81.03399	2.7
81.07056	24.5
82.07381	1.0
83.04966	0.9
84.04480	1.2
84.08118	2.0
84.96034	6.1
85.02908	7.6
86.09664	1.0
87.04471	1.6
88.49939	0.7
91.05481	12.3
92.05830	0.8
93.07063	1.3
94.04176	2.0
95.04983	1.2
95.08576	2.2
97.02904	7.4
97.96801	4.6
98.01279	0.8
98.97588	52.5
99.04430	1.4
100.99148	1.6
101.00852	2.1
102.05556	1.1
103.00536	1.1
103.03959	1.0
103.05471	1.0
105.07037	1.9
107.04964	3.4
107.08585	4.4
109.02891	4.0
109.06525	24.5
110.01331	1.4
110.06870	1.5
110.97581	8.4
112.07555	0.9
112.99131	1.1
115.02298	1.5
115.97822	2.3
116.98625	13.0
119.01838	3.3
119.04938	3.0
121.01620	0.7
121.06504	3.3
123.04437	1.1
123.08073	0.9
124.02827	1.5
124.99118	4.5
125.05997	3.1
127.03921	1.6
128.02327	1.6
128.98619	5.7
134.03065	1.1
134.99669	2.0
136.02826	1.3
137.05983	83.2
138.06311	6.1
138.96980	0.8
139.01587	1.0
141.02103	1.0
141.09120	0.7
142.02867	0.9
143.00197	5.6
143.01907	4.6
143.03584	0.8
144.98128	5.2
145.01598	2.2
145.05038	1.0
146.99696	1.4
150.97014	1.1
152.98555	2.2
154.02052	2.1
154.03925	1.3
155.06325	1.2
157.01712	1.6
157.03392	1.2
158.06801	1.7
158.99660	16.7
161.01215	2.9
161.02992	2.4
162.99161	2.6
163.00644	1.6
164.05904	2.1
164.07071	7.7
165.99469	1.6
168.98077	1.3
170.02318	1.8
170.99654	2.6
171.03114	1.5
172.05685	2.8
173.01187	0.8
175.02634	5.9
176.98605	2.6
177.00760	6.0
178.03856	20.8
178.54037	1.1
179.00146	2.1
179.02840	1.1
179.55736	1.6
180.03636	1.7
180.05533	2.1
181.01730	10.1
181.06186	0.9
181.98892	1.4
182.99644	1.1
184.03111	1.0
184.04810	0.8
186.96814	1.3
186.99150	2.9
187.04404	100.0
187.54590	6.7
189.00720	1.0
190.06827	1.7
192.03665	0.9
193.01770	3.8
194.99657	7.4
196.04938	20.5
196.55061	0.9
197.01212	2.0
198.55209	3.5
198.99062	0.9
199.02791	12.5
199.99895	1.1
201.00693	1.7
205.00204	8.1
206.99669	2.3
207.55882	0.9
211.02777	14.0
213.00681	4.9
217.03854	2.1
219.01741	3.9
223.01202	4.3
225.00731	5.9
227.02101	0.9
229.00308	1.5
229.03851	22.0
234.11230	2.3
237.02849	2.1
240.03020	1.5
241.04001	0.8
243.01817	3.9
243.07166	1.1
246.05281	1.7
247.01259	6.1
247.04831	4.1
248.02065	0.7
252.05690	9.6
252.08493	1.4
252.12112	7.8
252.14575	1.5
253.03828	2.2
265.02246	3.5
271.05133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
53.29149	0.4
55.05523	0.5
69.07051	0.4
70.02957	0.9
70.29308	1.4
72.08161	0.7
79.05499	0.8
81.07066	1.2
87.00842	2.9
91.05497	0.9
93.07057	1.8
98.98481	3.3
100.99615	0.4
101.00266	0.4
103.05471	6.6
105.07044	0.7
107.04959	1.0
109.06525	0.5
118.06546	10.2
119.03563	0.7
120.08112	100.0
128.04971	1.0
131.04971	0.9
136.06190	28.7
140.95680	0.4
145.02823	0.6
146.06015	15.9
148.07587	0.4
149.05969	0.5
161.05969	0.6
164.07074	0.7
166.08624	2.9
179.34129	0.4
188.07077	19.7
192.06590	1.7
195.51892	0.4
206.08134	73.5
207.08455	0.8
234.07643	2.3
234.13530	4.1
252.08786	1.5
252.12335	1.1
252.14552	17.5
269.24094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
57.03461	0.3
57.18283	0.2
60.08755	0.2
69.78238	0.3
69.96617	0.8
71.43296	0.3
72.08159	1.7
79.05488	0.7
81.07069	3.0
94.04050	0.9
98.20721	0.3
98.98466	0.4
104.03460	0.5
104.74923	0.3
107.04960	0.5
119.03545	2.3
120.08159	0.5
136.06195	100.0
136.38924	0.2
137.04599	1.2
206.08076	0.5
226.93390	0.2
227.16043	0.3
234.13521	16.0
252.14577	64.0
253.14735	0.3
262.75854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76751	0.6
53.03946	1.6
55.01890	3.4
55.05513	2.3
55.06927	0.6
56.05040	0.8
56.96568	10.3
57.03429	1.7
59.04992	1.4
60.60724	0.8
61.02927	3.5
62.23104	0.7
64.37560	0.7
65.03935	0.8
67.05500	4.2
67.66666	0.8
69.03432	10.6
69.07083	1.4
70.06588	2.5
71.04991	2.0
71.51658	1.4
71.95295	0.7
72.08186	1.3
73.02924	2.1
73.06558	100.0
74.06071	0.8
79.05494	9.6
79.50568	0.7
80.05850	0.9
81.03426	3.7
81.07051	6.1
83.04990	2.5
84.08153	9.8
84.96040	1.3
85.02908	28.3
85.06576	1.1
86.09675	1.0
87.04481	2.6
91.03078	0.7
91.04008	1.1
91.05493	6.6
91.07619	4.6
93.07050	2.6
95.04983	4.2
95.08611	3.3
96.79219	0.6
97.02901	6.6
97.06528	1.0
98.97602	24.1
98.98479	51.2
99.04451	1.8
100.98919	0.9
102.96908	0.8
103.03963	0.8
103.05464	0.8
105.07036	2.9
107.04934	1.4
107.08585	4.5
109.02908	2.6
109.06522	4.7
110.97598	0.7
113.06037	0.7
115.02357	2.8
116.03106	0.9
116.98639	10.6
116.99471	1.3
117.07011	1.1
119.04932	1.9
119.08605	1.5
120.08100	1.3
121.06538	3.0
123.04442	1.3
123.08080	2.5
124.02870	1.7
127.03963	4.0
128.98669	0.8
129.07056	1.1
130.08644	1.9
131.00177	0.9
131.08578	1.7
133.10126	1.1
134.99651	3.4
135.08098	1.2
137.05972	9.3
137.09633	1.0
139.07553	2.1
143.00194	1.2
145.05029	3.4
147.04373	1.1
147.08095	0.8
149.05981	0.8
149.09735	1.0
150.05589	1.1
155.00299	0.7
155.04628	0.9
157.10121	0.8
158.99619	4.7
161.01297	0.8
161.05493	2.5
161.09720	1.2
161.13382	0.8
163.05098	1.2
164.05949	2.0
164.07065	1.7
164.56146	1.3
166.05588	0.7
167.05396	1.4
169.01653	0.9
170.05962	3.8
172.05600	4.1
173.01239	0.8
173.06497	1.7
174.99298	1.4
176.05925	4.4
176.99089	0.7
177.00703	2.4
179.06570	1.1
179.10735	0.9
181.01776	0.9
181.06207	3.4
182.07077	2.4
182.57166	1.4
184.06830	1.1
184.55644	0.8
185.04941	1.2
185.06493	7.4
190.86519	0.9
193.06339	2.3
193.56383	2.0
194.07045	3.5
194.09262	2.2
197.04861	1.0
197.11990	0.9
199.11180	1.2
202.06750	1.2
211.02785	2.9
212.12848	0.8
213.00734	1.1
213.04420	1.7
215.05977	1.0
217.12325	1.8
219.01793	0.9
225.00797	1.2
229.03969	2.9
231.05569	1.4
235.13344	2.3
252.61310	1.0
252.63989	0.7
253.04205	1.4
253.08763	6.9
253.12160	4.7
253.14302	1.5
271.04910	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	253.1799
Annotation	2,10-Dihydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one
Peak:m/z	Relative Intensity
53.03937	4.6
54.12140	1.5
55.01868	3.1
55.05529	7.6
57.03431	6.6
57.07061	2.0
57.25689	1.6
57.39447	1.8
59.86899	1.6
67.05504	9.0
69.03442	9.9
69.07082	9.8
70.06580	3.0
71.04999	29.0
72.08160	2.2
79.05499	12.3
81.03428	4.4
81.07063	41.6
83.04982	6.6
83.08603	3.4
84.08151	4.4
85.02916	5.2
85.06543	2.6
86.09710	4.1
87.04469	2.3
89.06037	3.6
91.05489	14.1
91.50393	1.6
93.07044	26.3
95.04973	11.0
95.08607	13.0
97.06529	8.7
97.10167	1.9
98.98474	100.0
99.04440	2.3
99.08093	8.2
102.31096	1.6
105.07047	13.2
107.04946	3.0
107.08604	14.6
109.02901	2.6
109.06522	15.9
109.10155	5.6
111.04450	4.3
111.08066	8.3
115.07562	6.5
117.06990	3.2
119.08591	11.0
121.06506	6.1
121.10132	13.0
123.04386	2.2
123.08063	8.5
123.11729	3.5
125.09612	5.5
127.11214	6.1
128.06271	2.3
129.07004	3.0
131.08565	5.9
133.06480	2.2
133.10144	9.4
135.08072	3.4
137.06039	3.6
137.09616	6.5
139.11192	4.5
141.06879	1.6
143.08572	3.9
145.10057	3.7
147.08075	5.2
147.11684	8.0
149.09637	20.8
149.13295	2.5
151.03947	1.8
151.11212	2.5
153.09082	10.0
155.10638	2.1
156.09372	1.8
157.10120	2.8
159.08015	1.9
159.11687	3.3
161.09637	4.8
161.13310	2.9
163.11119	1.9
164.07004	2.0
165.07072	2.5
165.12743	1.9
167.10669	3.1
171.11671	3.2
174.99245	3.3
175.07544	3.5
175.11232	5.7
175.14813	1.7
176.98949	2.4
177.12778	2.6
179.07138	1.8
179.10667	3.2
181.08626	2.7
189.12798	5.4
189.16391	3.7
193.06435	2.1
193.08618	1.9
193.12209	2.1
194.09154	2.0
197.11722	3.7
199.14757	1.9
205.08504	1.7
205.12140	1.7
207.08385	2.4
207.10178	3.2
207.13818	2.4
210.06830	2.5
217.08745	2.1
217.12308	6.1
217.15874	7.6
225.09094	4.4
235.09650	3.9
235.13400	10.5
235.16917	52.3
238.06184	2.8
253.08780	10.2
253.10971	4.5
253.14456	6.6
253.18015	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	254.1025
Annotation	CJ 14897
Peak:m/z	Relative Intensity
53.03939	0.6
53.73614	0.3
55.05515	13.4
56.96536	0.4
59.05003	1.8
62.06077	1.2
69.07063	0.3
70.06580	0.9
70.07777	1.6
70.71105	0.4
72.08143	0.5
79.05500	0.8
81.03406	0.5
83.04964	0.4
85.02897	0.8
93.07053	0.5
98.97602	1.8
98.98467	0.7
103.05470	0.8
105.06986	0.5
106.06545	0.7
107.04956	0.6
111.03220	2.3
111.04439	0.6
119.08552	0.4
120.08134	3.7
121.06512	0.5
125.06008	1.1
126.05531	6.9
130.06558	1.1
131.04900	0.5
133.05179	0.5
133.06505	0.5
135.08018	1.1
137.08418	0.5
138.05493	0.9
138.09100	0.4
139.04025	0.4
139.07518	1.3
147.06862	0.5
148.07590	9.0
149.08427	0.4
149.09616	1.2
150.05490	0.5
151.02621	0.5
154.04997	5.5
158.99710	0.6
163.07518	1.2
164.07076	0.8
165.04242	0.5
165.07834	1.4
166.04976	1.9
166.08664	0.5
175.06279	0.5
176.07079	5.1
178.05005	0.5
179.09412	0.6
180.06679	0.8
180.10204	16.3
190.08693	0.8
191.07092	0.8
193.07338	1.4
194.08107	1.5
208.09703	79.1
209.10294	0.9
213.07704	2.0
222.08363	2.9
226.10722	2.4
231.08760	0.5
254.10254	100.0
255.10527	0.8
269.57724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
55.01877	2.1
55.05519	0.3
56.96568	14.2
57.03442	4.0
57.07069	0.3
59.05000	0.4
60.95835	0.3
61.02932	2.2
65.03941	0.4
67.05509	1.3
69.03431	3.1
69.07071	0.2
70.98135	1.2
71.01350	0.8
71.95279	0.5
72.96033	0.3
73.02915	3.1
74.37970	0.2
74.97593	0.3
76.22057	0.3
78.03463	1.4
79.05493	1.8
80.05025	2.1
81.03411	0.7
81.07064	1.6
83.04993	0.4
84.08147	0.6
84.96060	1.3
85.02903	5.3
86.97584	0.3
87.04470	0.8
88.99155	0.3
89.00806	0.3
91.05457	2.1
93.07038	1.0
95.04964	1.0
95.08607	1.2
96.04499	0.7
97.02891	2.8
97.06548	0.5
98.97585	6.4
98.98488	0.5
99.04442	0.4
99.44025	0.2
100.99143	1.1
101.00873	2.6
103.03951	0.5
103.05444	0.3
105.00158	1.2
105.07030	0.9
106.02917	5.9
107.08599	0.5
109.06525	1.9
110.07169	0.3
110.96870	0.5
110.97559	2.2
112.99131	0.8
113.02389	0.3
115.02393	0.5
115.03937	2.0
116.98626	2.6
117.02033	0.3
118.02749	0.3
119.00166	0.4
119.01919	5.5
119.04929	1.2
119.97324	0.7
120.01517	0.2
121.06509	1.3
123.01209	1.1
123.05557	100.0
124.03965	4.6
124.99115	0.5
126.97126	0.2
127.00716	0.5
127.02427	0.3
127.03913	1.0
128.97864	0.2
128.98636	2.0
130.93309	0.5
131.00151	0.7
131.01862	0.5
133.03433	0.7
133.04959	2.9
134.99631	0.6
135.08020	0.4
136.01147	0.4
137.02890	1.1
137.05994	3.0
137.98366	0.4
139.07523	0.3
140.98616	0.5
141.02226	0.4
143.00157	0.6
143.01875	0.7
144.03398	0.2
144.98074	0.9
144.99844	0.9
145.01733	0.4
145.03452	1.0
145.04988	0.6
146.15025	0.3
146.99648	1.2
149.01157	0.4
149.02811	0.3
149.06020	0.4
151.00652	0.6
153.02344	0.3
153.03929	0.4
154.00409	0.4
155.01843	0.4
157.03435	0.6
158.00745	1.1
158.99687	1.5
159.01392	0.2
159.03104	0.4
161.01262	0.3
161.02937	0.6
162.99158	0.7
163.91071	0.3
164.04071	0.3
165.00739	0.3
165.04063	0.5
165.05405	0.3
167.03931	0.4
167.05560	0.3
167.07022	0.6
168.03580	0.5
169.01730	0.4
170.99680	0.7
171.01329	0.3
171.03387	0.3
171.04909	0.4
172.00462	0.6
172.97626	0.7
173.03070	0.4
174.99188	0.3
176.03215	0.3
176.05969	0.4
177.00679	1.0
177.02292	0.9
177.04085	0.8
179.00298	0.4
179.03806	1.0
181.00960	0.3
182.99806	0.3
183.03555	0.3
183.05078	2.1
185.02962	0.8
185.04831	0.4
185.06503	0.3
187.02831	0.3
187.04440	0.5
188.97086	0.4
189.00752	0.6
190.98656	2.7
191.02245	0.4
191.99420	0.3
193.05051	0.3
193.99954	0.7
195.03371	0.6
195.05064	1.1
196.99515	0.3
197.01219	1.5
197.02971	0.5
197.04869	1.3
199.02806	0.3
201.00577	0.3
201.04366	0.6
201.06082	0.6
203.00511	1.2
203.02347	0.7
203.04076	0.5
203.99426	0.6
205.01869	0.6
207.05045	0.3
208.03032	0.4
208.99713	4.0
209.06572	0.4
211.06413	0.4
213.04288	0.6
213.06128	0.7
214.00198	0.4
215.02299	1.4
215.04022	0.3
215.05832	0.5
215.99435	0.3
219.01660	0.5
219.05104	0.9
223.02762	1.1
225.06104	0.8
227.00505	0.5
232.01195	0.4
237.02530	0.4
237.03957	0.4
237.06105	6.1
237.08299	0.4
241.03880	3.4
243.05342	0.8
243.07567	0.4
243.55255	0.3
245.05133	0.6
249.99504	0.4
255.07336	4.9
255.09657	0.4
256.02982	0.4
259.04871	2.0
273.02969	0.3
273.06116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	0.2
55.01870	2.3
56.96565	0.5
57.03155	0.2
57.03437	3.3
59.04994	0.4
61.02916	1.0
64.14646	0.2
65.18848	0.2
67.31346	0.2
69.03431	1.8
71.01349	0.6
71.51086	0.2
73.02919	2.3
78.01639	0.2
78.03450	1.4
79.05489	1.9
80.05020	2.1
85.02909	3.3
87.04469	0.5
91.05486	0.4
95.08609	0.2
96.04499	0.7
97.02897	1.5
98.97588	0.6
100.99125	0.2
101.00896	0.4
103.03955	0.3
106.02231	0.3
106.02921	6.2
107.08590	1.4
108.08938	0.2
109.02822	0.2
110.97524	0.2
115.03936	1.7
119.01917	0.3
123.05554	100.0
124.03955	5.7
124.05882	0.3
127.03878	0.2
128.98605	0.3
131.01891	0.2
133.04971	3.3
143.01904	1.2
145.01611	0.2
147.06534	0.2
152.54991	0.2
155.01828	0.3
156.07068	1.1
156.57216	0.3
158.99701	0.4
161.03049	0.4
164.06854	0.2
164.57022	0.9
165.06705	0.6
172.55768	0.2
173.07466	0.2
190.98593	0.2
203.04126	0.2
208.99765	0.3
237.09692	0.2
246.10512	0.3
254.59325	0.3
255.06746	0.6
255.10197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Gliocladic acid
Peak:m/z	Relative Intensity
53.03934	1.9
55.01859	4.6
55.05517	6.4
57.03438	2.3
57.61921	1.0
59.07632	1.1
64.02916	1.2
65.03938	1.3
66.49707	1.1
67.05500	11.9
69.03151	1.0
69.03436	11.9
69.07063	6.7
70.06572	1.8
71.05000	7.6
72.08150	2.0
79.05482	7.3
81.03400	3.3
81.07059	12.0
82.45385	1.1
83.04997	8.3
83.08636	2.6
84.08172	1.8
85.02902	1.6
85.06541	2.4
86.09687	3.6
91.05479	7.7
93.07053	14.5
95.04971	16.3
95.08612	16.2
96.04463	1.7
97.02898	1.2
97.06517	3.9
98.98465	14.8
99.04435	1.4
103.05453	2.6
105.07028	11.2
107.04946	2.3
107.08601	12.0
109.02882	2.5
109.06520	17.4
109.10145	4.8
110.03667	1.6
111.04439	4.4
111.08086	3.6
113.06004	1.9
115.05405	1.9
117.07005	3.8
119.04939	2.6
119.08600	9.8
121.03963	2.7
121.06502	8.5
121.10135	7.5
123.04430	3.1
123.08072	8.8
125.05991	2.3
127.07533	3.1
128.06221	3.8
129.06992	4.1
131.04901	3.9
131.08557	10.2
133.06511	2.1
133.10143	14.2
135.08067	16.9
135.11601	2.6
137.06027	8.5
137.09631	3.1
139.05019	10.1
141.05478	1.3
143.08569	3.9
145.06450	3.3
145.10115	6.5
146.07269	1.9
147.04396	1.5
147.08122	1.1
147.11659	1.9
149.06007	1.8
149.09583	7.1
149.13240	4.0
151.07542	3.2
151.11139	1.4
155.08543	1.7
157.06526	2.4
157.10109	2.2
158.10928	1.5
159.08057	5.1
159.11697	7.3
161.09615	22.7
163.07532	3.5
163.11195	2.5
163.14908	2.8
171.08072	3.6
173.09630	4.0
173.13278	11.7
175.11165	3.4
177.05435	1.5
177.09143	2.0
177.12724	6.0
179.10675	100.0
181.08649	1.3
184.05232	2.5
189.12816	2.3
191.14317	12.5
195.08124	2.2
195.10030	1.9
197.06102	1.3
199.07582	2.8
201.12741	16.0
209.09744	1.8
212.04700	3.7
219.13809	55.9
227.07030	6.1
227.10663	1.4
230.96960	1.2
237.11224	2.5
237.12552	1.8
237.14864	35.7
255.06451	9.8
255.10344	11.2
255.13358	6.0
255.15977	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	255.1955
Annotation	Yingzhaosu B
Peak:m/z	Relative Intensity
53.03941	5.2
55.05512	29.5
55.93128	2.6
57.03423	10.2
57.07065	7.9
58.26290	2.8
58.65239	2.7
59.04987	7.5
67.05246	2.2
67.05509	28.1
69.03439	6.1
69.07067	100.0
70.98811	2.1
71.04989	12.8
71.53130	3.4
73.06548	4.3
79.05489	28.8
81.03409	2.7
81.07059	74.8
83.04974	13.4
83.08623	16.1
85.06522	8.7
91.05490	21.6
93.06494	4.3
93.07046	70.1
95.04958	7.0
95.08604	64.1
97.06528	30.5
97.10171	6.4
98.98473	12.5
99.08112	5.6
101.06023	13.7
105.07038	49.5
107.08591	83.5
109.06509	9.8
109.10160	48.9
111.08076	8.2
111.11724	31.0
113.06008	3.7
115.07600	3.3
117.06979	8.3
119.08567	22.6
121.06528	3.8
121.10139	78.5
123.08060	7.1
123.11688	19.4
125.05982	2.5
125.09583	8.4
129.07021	3.6
131.08566	10.9
133.10133	51.9
135.08093	5.3
135.11687	74.6
137.09596	4.4
137.13225	15.0
139.11209	15.5
141.09178	2.8
143.08539	3.1
145.10110	28.0
147.11661	18.8
149.13263	59.1
151.11151	15.4
156.13898	4.2
159.11674	30.7
161.13255	18.7
163.11166	6.6
163.14818	7.2
167.14319	5.8
173.13287	10.4
173.28404	2.6
175.14790	10.0
177.12769	2.8
177.16377	14.4
181.12201	3.8
184.13351	4.7
189.16374	20.2
191.17975	7.0
193.08502	4.4
197.13214	5.4
200.63519	3.0
201.16393	30.4
207.17407	6.3
211.09634	4.1
212.04791	3.9
213.16299	3.9
219.17426	32.1
227.06978	2.9
237.18512	15.6
255.06467	21.2
255.10092	7.4
255.17337	7.5
255.19617	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	256.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.2
56.96570	0.6
57.03443	5.1
58.03799	0.2
59.04997	0.7
61.02933	1.2
65.56030	0.2
69.03436	2.6
69.93169	0.9
70.03766	0.2
71.01361	1.2
73.02930	2.9
78.03469	0.5
79.05511	0.3
80.05029	1.4
83.71665	0.2
84.04528	0.4
85.02914	4.1
87.04478	0.6
94.06565	0.2
96.04502	0.8
97.02897	1.8
98.20786	0.3
98.97588	0.5
101.00895	0.3
103.03944	0.7
106.02906	0.4
107.03277	0.4
109.02935	0.2
114.05521	0.3
115.03942	2.4
123.05571	6.4
124.03967	100.0
124.05869	7.5
125.04301	0.3
127.03922	0.2
130.05016	0.5
133.04979	4.8
143.01961	0.5
145.03436	0.3
147.07716	0.2
148.06044	0.2
152.82779	0.2
155.08150	0.3
164.07114	0.3
173.02994	0.3
175.05287	1.4
205.05547	0.2
223.06670	0.2
245.05095	0.4
256.08374	0.6
256.12964	0.3
263.06232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.8
56.96299	1.4
56.96564	19.0
57.03439	14.5
58.99861	1.9
59.01814	1.0
59.04992	3.7
61.02929	6.7
65.03910	1.1
67.05494	1.6
69.03420	7.3
70.98135	1.5
71.01342	3.1
71.04980	3.2
73.02921	8.4
75.04472	1.0
78.71229	1.4
79.05487	5.7
80.05016	1.7
81.03408	3.7
81.07053	2.6
81.30105	1.1
82.01459	1.5
82.84998	1.1
84.96043	1.6
85.02909	15.1
87.04467	5.1
89.02368	2.4
91.05482	8.8
93.07069	5.5
95.04961	2.3
95.08598	3.8
97.02908	9.0
98.96941	2.6
98.97585	52.6
99.04441	3.3
100.99126	1.1
101.00871	2.4
101.02383	7.7
103.01308	1.1
103.03929	1.4
103.05451	3.9
105.07030	3.9
106.88126	1.2
109.02892	1.3
109.06499	2.1
110.97575	10.3
111.02928	1.7
112.01752	3.6
112.99081	1.1
115.02373	2.3
115.03920	13.3
116.98623	10.6
119.01895	5.5
119.04922	7.9
121.02281	4.1
121.06499	14.5
123.05581	7.5
123.08055	5.5
124.03957	100.0
124.05877	8.7
124.99056	1.3
127.03897	3.6
128.02313	2.7
128.98622	7.1
129.01842	14.8
129.03981	7.6
130.02776	1.2
131.05589	14.9
133.02281	2.6
133.05002	5.6
134.99689	1.5
135.01443	1.3
137.05948	3.5
139.02260	2.1
141.02020	1.7
141.09132	1.1
142.02811	3.2
143.00204	1.5
143.01921	2.4
143.03339	6.3
145.03471	2.5
145.04926	2.4
146.99683	2.2
147.04243	6.6
148.02814	4.8
149.05911	6.5
149.06624	10.4
154.02776	3.5
157.01344	12.8
157.03378	3.2
158.99677	18.8
160.04689	2.5
161.02994	2.4
161.04453	9.5
162.02606	1.3
163.03313	7.9
165.05515	4.1
168.04997	2.2
170.99712	1.2
171.01491	2.1
171.02951	5.3
171.05022	1.9
172.03844	4.5
172.97559	2.1
175.04398	1.3
176.02356	2.1
177.00784	9.7
177.02199	2.3
179.03825	2.3
184.03844	24.4
185.02916	2.0
187.04546	2.3
189.00926	1.4
189.02365	1.8
189.03957	34.0
189.05878	2.2
190.98628	2.0
192.03638	4.4
193.04382	27.8
193.54665	1.2
194.03394	2.1
194.08122	1.5
194.99716	1.2
195.03217	1.5
202.04962	1.7
203.05550	12.5
204.80957	1.2
205.01765	4.7
206.03342	13.2
207.07104	1.9
211.05818	1.5
215.00543	1.2
215.02155	1.6
215.03955	14.7
219.01695	4.1
221.06526	3.6
223.02818	4.7
224.04431	33.0
232.99614	2.1
233.01550	2.6
233.05045	12.3
235.55194	3.6
241.03813	2.3
256.03085	3.8
256.08246	3.1
256.12415	1.2
256.15375	1.9
274.04089	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98662	0.3
55.01881	0.5
56.96566	14.0
57.03452	0.5
60.95856	0.3
61.02932	0.7
62.51005	0.2
67.05513	0.6
69.03440	0.9
69.72989	1.3
70.98126	0.7
71.95268	2.6
72.08148	0.3
73.02916	0.8
73.33771	0.2
79.05487	1.5
80.05827	0.3
81.03431	0.3
81.07067	2.8
83.04954	0.4
84.96041	0.4
85.02921	0.8
91.05481	1.0
93.07066	0.5
94.41816	0.2
95.08620	0.6
97.02893	0.8
97.06528	0.3
98.97588	100.0
99.97973	0.2
101.00896	0.8
102.25218	0.2
102.96870	0.3
105.07040	0.7
107.04953	0.5
109.06528	2.2
110.01251	0.3
110.97552	2.4
111.08070	0.4
112.99087	0.3
113.00805	0.3
115.02332	0.4
116.98626	31.1
119.01917	1.1
119.04929	0.3
121.06515	1.4
123.08045	0.8
124.99030	0.3
127.00651	0.6
127.03896	0.3
128.98610	1.4
130.93257	0.7
131.00171	0.2
133.03432	0.3
134.99661	6.3
137.05978	7.3
138.06316	0.3
139.00638	0.3
139.07469	0.4
140.00163	0.5
140.98590	0.3
141.02211	0.5
141.09055	0.5
143.00140	0.4
145.01656	0.3
145.03426	0.6
146.99611	0.4
151.03331	0.4
152.07037	0.5
152.98613	0.3
153.00671	0.4
154.93288	0.3
157.03543	0.5
158.99672	1.3
159.03300	0.4
161.01262	0.3
164.07054	0.4
165.04956	0.4
167.03772	1.1
170.05035	0.3
170.99594	0.5
171.04866	0.5
172.94348	3.3
172.97495	0.4
175.04449	0.5
177.00661	0.5
178.03818	1.5
179.03714	0.6
179.05405	0.4
180.05397	1.6
185.04871	6.5
185.06445	0.5
187.02794	0.3
187.04416	4.9
187.54559	0.6
189.04124	0.3
189.05898	1.3
190.95363	1.2
194.99591	1.0
196.04874	0.7
197.02072	0.6
197.04855	3.5
199.08055	0.3
203.05902	2.6
206.99606	0.5
207.01598	0.3
209.04813	0.3
209.06552	0.6
211.02890	1.2
213.00648	0.9
214.95403	1.6
215.05914	2.0
219.01698	0.4
221.06590	0.4
224.54546	0.5
225.00624	0.7
227.05724	1.2
227.07561	3.3
229.03754	0.7
232.96461	2.1
233.06873	0.9
237.02760	0.3
239.05789	2.3
239.07811	0.4
243.01689	0.3
248.07953	0.5
250.97375	0.7
253.03905	0.3
256.96454	6.1
257.06827	14.8
269.06857	0.3
274.97522	24.0
275.08020	14.8
278.01227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95175	1.5
53.03930	2.9
55.01880	11.6
55.05508	2.9
56.96569	56.1
57.03444	29.2
58.96161	1.8
61.02614	1.7
61.02926	31.3
67.05497	6.0
68.05029	4.1
69.03433	54.0
70.06600	2.1
70.98129	3.9
71.01353	4.8
71.04999	8.1
71.51118	2.6
71.51468	1.9
71.95281	2.6
72.08160	2.9
72.96001	1.7
73.02923	43.6
74.97624	2.7
79.05502	9.1
80.05868	1.6
81.03423	21.8
81.06580	1.4
81.07048	6.6
83.00800	3.1
83.01302	2.0
83.04993	1.9
84.04507	9.8
84.08125	2.3
84.96030	6.0
85.02909	100.0
85.80682	1.9
87.01015	2.1
87.04471	8.8
89.00765	4.9
90.01551	4.2
91.03953	8.8
91.05486	5.1
93.07034	4.5
95.00751	1.9
95.04988	2.7
95.06096	39.7
95.08609	4.4
96.01554	7.5
97.02894	56.9
98.01309	4.5
98.03270	1.6
98.97586	93.8
99.04464	13.6
99.97922	2.2
100.99155	7.9
101.00838	15.8
101.02377	4.8
101.12917	1.6
102.01525	4.2
103.00591	3.5
103.03928	2.7
104.01296	5.6
104.10745	5.4
105.02075	3.1
105.07040	6.2
107.05000	2.0
107.08553	2.0
108.01514	2.4
109.00465	2.1
109.02890	14.3
109.06520	6.7
110.01287	18.6
110.07158	1.7
110.97575	26.9
111.02016	2.5
112.01014	2.4
112.99141	22.5
113.00861	4.6
113.01707	1.8
114.01688	1.7
115.00588	2.7
115.02428	3.3
115.03920	3.7
116.01274	1.9
116.98627	30.8
116.99451	1.9
117.02125	8.2
117.05495	1.9
118.01054	3.0
119.01856	44.1
121.01604	3.0
121.06493	7.7
123.02068	3.2
123.02907	1.7
123.04492	2.0
123.08081	6.9
124.01017	2.4
124.02823	3.0
124.04021	3.1
124.95463	3.7
124.99110	5.9
125.01778	4.7
126.02533	3.2
126.05621	1.7
126.06647	2.0
126.97029	3.2
127.00703	3.9
127.02437	3.8
127.03928	33.7
127.97407	1.5
128.02333	19.2
128.98608	24.9
129.01997	5.9
129.06599	2.2
130.02847	4.2
131.00192	16.8
131.01871	16.9
131.03799	3.5
132.00778	3.2
132.02652	8.1
132.03442	2.1
133.01718	2.0
133.03436	6.8
133.05182	3.8
134.02271	2.1
134.99669	6.4
135.04434	2.4
135.06363	4.5
137.01868	3.2
137.02902	5.1
137.05960	18.4
138.00697	2.5
138.02557	4.6
138.06229	2.1
139.03375	2.6
140.02295	19.3
140.98602	4.4
141.09073	4.2
142.96602	2.3
143.00195	14.9
143.01900	9.5
143.03242	1.6
144.02541	2.2
144.98103	7.3
145.01660	5.9
145.03455	11.6
145.05003	14.4
146.02312	13.5
146.99654	15.2
147.01360	3.5
147.03133	7.1
149.01234	5.2
149.02856	9.5
151.06310	5.1
151.53107	2.5
152.02293	6.7
152.07095	3.6
152.98532	1.6
153.03102	5.5
153.07399	7.4
154.02037	6.0
154.03653	6.1
155.00182	3.7
155.01822	4.1
155.02844	15.3
156.02000	2.0
156.03548	4.3
156.04849	1.6
157.03499	6.1
157.06023	2.5
158.01349	3.5
158.99681	25.9
159.03099	8.5
159.54704	2.0
160.02159	2.3
160.04428	2.5
160.53616	4.1
161.01285	11.1
161.02890	15.8
161.04509	2.8
162.03589	9.2
162.99139	4.6
163.02687	5.7
163.03893	3.2
163.06090	1.7
164.07091	23.9
165.00752	7.0
167.02124	1.5
168.00618	1.7
168.01884	8.0
168.03568	55.1
168.53853	2.4
170.03345	4.5
170.99661	12.5
171.04201	8.2
172.97626	6.8
173.01221	24.1
173.02940	11.5
174.03195	2.5
174.99246	4.5
175.04507	2.7
177.00739	12.7
177.02382	17.5
177.04164	76.3
177.54308	3.2
181.07187	2.5
182.03352	19.3
182.99698	3.6
184.04819	3.3
185.01306	2.8
185.02924	3.6
186.03201	2.2
186.04684	6.0
187.04520	2.4
188.54788	3.2
188.97089	5.6
189.00720	14.8
189.02379	3.6
190.98656	12.4
191.02267	12.7
191.03918	52.2
191.54076	3.4
193.00237	5.0
195.07524	2.1
197.01222	4.5
197.55553	2.0
198.02602	4.8
200.04431	51.0
200.54663	4.5
201.00655	9.9
203.02263	4.3
203.04044	4.8
205.00220	2.8
205.03540	2.1
206.98112	3.3
207.01775	4.4
208.99663	11.8
209.03233	2.7
209.04977	16.4
210.06949	1.8
211.55238	5.9
214.03880	3.2
214.05940	2.0
214.13336	3.1
214.98708	4.9
215.02281	5.5
215.04065	3.4
217.00102	4.0
217.01982	3.3
219.01791	15.2
219.05397	2.5
221.05069	2.9
228.07906	2.7
231.01726	2.3
232.99722	17.3
233.03162	10.0
233.05214	3.3
235.01207	5.2
235.03088	3.0
235.04810	2.2
235.06731	3.5
237.02841	21.1
240.05824	6.2
241.03925	2.0
249.06381	19.0
251.00768	8.1
251.04445	1.9
253.02290	6.0
253.07767	2.4
255.03909	10.7
258.02600	3.3
258.04797	4.5
258.07013	13.3
258.12430	43.5
259.04828	2.0
259.10187	2.0
261.02859	3.5
263.00836	5.1
275.00854	1.8
275.06516	1.8
276.03735	2.1
279.03839	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	258.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
55.01872	6.8
55.05510	2.5
56.05026	1.4
56.96570	59.0
56.96854	3.1
57.03443	22.3
59.04994	2.8
60.95849	2.2
61.02932	30.5
61.43641	1.6
62.78465	1.3
63.28242	1.4
65.03967	2.2
65.29744	1.3
67.05505	4.6
68.00284	1.9
68.05021	2.7
69.03436	45.3
69.93143	5.3
70.03770	1.9
70.06590	1.9
70.98118	6.1
71.01344	4.1
71.04992	6.4
71.95271	3.3
73.02921	33.7
74.97602	4.1
79.05484	5.4
81.03424	16.9
81.07067	5.8
81.08112	1.5
83.00790	2.9
83.01307	2.2
83.04981	4.1
84.04511	17.0
84.08147	3.2
84.96047	8.8
85.02911	100.0
86.03234	2.0
86.97620	3.1
87.01057	2.4
87.04477	8.8
87.92860	1.7
88.51598	3.4
89.00799	3.3
90.01586	3.2
91.03966	7.5
91.05488	5.5
93.07044	5.7
95.00771	4.1
95.01332	2.3
95.04975	2.0
95.06100	13.6
95.08627	3.8
96.01559	4.4
97.02900	53.7
97.03525	2.8
98.01283	2.1
98.03236	2.7
98.97588	96.9
99.04458	9.7
99.97935	2.7
100.99172	4.6
101.00851	12.5
101.02383	1.8
102.01559	2.7
102.05548	2.5
102.96918	2.2
103.02474	1.7
103.03921	2.5
104.01305	3.2
104.10749	4.1
105.00166	1.6
105.02054	2.1
105.07034	4.2
107.04983	2.2
107.08604	3.8
109.02900	12.1
109.06517	4.9
110.01272	14.5
110.07149	2.4
110.97575	22.3
111.02042	2.4
112.99149	19.7
113.00863	3.7
114.05444	1.8
115.02510	7.3
115.03973	1.9
116.01292	2.6
116.98627	26.8
117.02109	7.5
119.01854	33.8
119.03683	1.7
120.02052	2.0
121.01644	3.6
121.06537	7.9
121.52082	2.6
123.02101	2.1
123.08046	3.5
124.00978	1.8
124.03971	4.1
124.95477	2.9
124.99112	4.1
125.01804	3.9
126.02568	3.0
127.00726	2.1
127.02467	2.6
127.03934	31.6
128.02335	11.4
128.98598	21.7
129.02028	3.1
129.04005	1.7
129.06662	3.2
130.02765	3.3
130.04979	3.1
131.00201	15.0
131.01878	16.0
132.00768	1.8
132.02539	4.7
133.03471	4.1
133.05286	2.7
134.99660	4.6
135.03203	2.7
135.06381	4.7
137.01878	1.8
137.02847	3.4
137.05954	17.9
138.02516	3.7
139.03333	3.2
139.07520	1.8
140.00226	4.5
140.02299	15.1
140.98596	4.9
141.03078	2.1
142.03568	4.3
142.96541	3.2
143.00171	13.4
143.01845	11.2
144.00726	1.7
144.01947	2.4
144.98120	5.1
145.01627	6.3
145.03548	11.1
145.04964	15.0
146.02313	5.9
146.99675	15.3
147.01372	3.3
147.03110	10.4
147.04121	2.1
149.01239	5.9
149.02882	5.5
149.05997	2.7
151.06412	1.9
151.53131	6.6
152.07040	3.0
153.07419	6.8
154.02116	4.4
154.03767	3.4
155.00110	3.4
155.01860	5.4
155.02914	11.7
155.04660	3.2
156.03589	3.8
157.03479	5.9
158.01277	9.5
158.99660	22.2
159.03159	5.7
160.04613	7.6
160.53621	7.8
161.01245	6.7
161.02924	13.8
161.05583	4.0
162.03569	7.7
162.99141	2.5
163.02647	3.7
163.03938	4.1
164.02255	2.2
164.03432	2.2
164.07071	7.6
165.00737	9.8
168.02032	3.6
168.03575	35.6
168.53784	1.9
170.03285	1.8
170.96049	4.4
170.99695	13.4
171.04077	7.7
172.97614	5.9
173.01221	15.0
173.02975	8.5
174.99161	5.5
175.05151	1.7
176.04572	1.7
176.54880	3.1
177.00734	13.5
177.02431	13.6
177.04182	63.0
179.02353	2.5
179.03842	2.2
179.05463	1.7
181.07149	2.6
182.01817	1.9
182.03339	11.7
183.02065	1.9
184.04947	2.1
185.01262	3.2
185.02983	4.9
186.04704	6.2
186.99129	2.7
187.02629	2.3
187.04482	2.3
188.02307	2.5
188.54921	3.2
188.97076	6.4
189.00739	11.8
189.02492	4.6
190.98613	12.5
191.02266	10.8
191.03934	27.6
191.05649	2.9
191.54041	3.9
193.00259	4.1
193.05487	2.4
196.04739	2.3
197.01271	3.1
197.03012	2.0
198.02707	4.6
198.04736	2.1
200.02350	5.1
200.04422	30.0
200.08252	2.8
200.54568	4.0
201.00735	6.1
201.04474	2.1
203.02345	2.5
203.04073	3.7
203.05849	2.0
205.00217	3.0
205.03624	1.9
206.98175	4.1
207.01819	5.6
208.99669	8.4
209.03229	3.3
209.05003	11.6
210.06914	1.8
211.55179	2.9
212.13968	2.8
214.03758	2.4
214.05650	3.2
214.98689	8.2
215.02216	3.6
216.01758	1.9
217.00163	2.4
217.02007	3.5
219.01770	10.9
219.03552	3.4
221.05096	3.9
228.07899	4.5
231.01802	4.2
232.99712	16.6
233.03337	6.3
233.05261	2.5
235.01196	6.8
235.04822	4.3
235.06763	2.8
237.02899	16.3
240.03575	4.5
240.05817	2.9
241.03801	2.3
242.98111	3.5
244.99774	2.3
249.06256	16.4
251.00784	6.2
253.02353	6.2
255.03949	4.5
258.02573	7.7
258.04767	2.2
258.06992	12.8
258.09073	3.6
258.12390	17.2
258.14722	2.6
259.05020	1.8
260.99338	2.3
261.02905	2.0
263.00781	4.5
275.00711	4.4
276.03885	3.1
276.08307	4.7
279.04037	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	258.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71814	1.0
53.03938	2.4
54.43728	0.8
55.01863	3.5
55.05514	1.5
55.35995	0.9
56.52151	0.9
56.96567	41.4
56.96851	2.2
57.03438	11.9
57.58286	1.0
61.02927	10.8
69.03082	1.7
69.03429	20.1
70.03740	1.5
70.06572	1.5
70.30730	2.0
70.31129	1.7
70.97741	1.5
70.98122	29.0
70.99846	1.1
71.01361	1.3
71.04977	2.6
71.95268	2.3
72.08167	1.0
72.96014	1.2
73.02914	16.5
74.97598	1.3
78.25217	1.0
79.05494	8.8
81.01031	1.8
81.03423	8.2
81.07047	8.4
82.99836	2.1
83.04988	1.0
84.04506	7.2
84.08118	1.3
84.96051	2.4
85.02906	33.1
86.00224	1.4
87.01041	2.3
87.04461	4.2
88.99163	11.4
89.00789	3.0
90.01564	1.6
91.03931	2.3
91.05508	4.7
91.35315	1.0
92.05819	1.4
93.07043	2.9
94.04207	1.1
94.98066	1.0
95.00758	3.0
95.06099	2.6
95.08578	4.0
96.01557	4.1
97.02889	26.1
98.03263	1.1
98.97585	100.0
99.04453	8.1
99.97907	3.0
100.00037	1.0
100.99129	1.8
101.00854	12.3
101.02401	1.3
101.03437	0.9
102.01526	3.2
102.96836	5.2
103.00504	1.6
104.01288	3.0
104.10713	3.2
105.02119	2.6
105.07019	3.1
107.04991	1.7
107.08591	2.4
108.01546	1.0
108.19262	1.1
109.02879	4.1
109.06525	7.5
109.52084	1.1
110.01294	5.9
110.07177	1.5
110.97570	13.9
111.02076	2.0
112.01034	1.5
112.99136	23.9
113.00859	2.8
115.02428	1.5
115.03913	1.8
116.07065	1.3
116.97826	1.9
116.98627	26.5
117.02072	1.3
117.99113	0.9
119.01853	15.5
119.04942	2.2
121.01530	1.3
121.05703	1.1
121.06502	4.5
122.01335	0.9
122.51160	1.0
123.02068	1.4
123.08041	4.3
124.03927	4.1
124.95443	1.4
124.99110	4.0
125.04292	2.0
126.02565	2.4
126.06632	2.2
126.97009	2.0
127.00665	1.1
127.02417	2.9
127.03922	9.6
128.02313	4.2
128.98593	9.9
129.02063	2.3
129.06628	1.9
130.02866	1.3
130.05011	1.2
131.00186	11.9
131.01834	6.4
131.03708	1.1
132.02602	1.2
132.97923	1.3
133.03430	3.0
133.05225	2.5
134.99655	3.7
137.01790	2.0
137.02888	0.9
137.05981	29.5
138.00797	1.5
138.02571	3.6
138.06277	1.5
139.01523	1.0
140.00169	3.6
140.01233	2.2
140.02304	30.5
140.98605	2.8
141.03082	1.5
141.09013	2.2
142.96509	1.1
143.00168	7.2
143.01894	5.5
144.98053	2.4
145.01637	2.4
145.03476	9.9
145.04944	5.2
146.02298	3.6
146.99640	4.0
147.01387	1.3
147.03134	5.5
147.04213	1.8
148.03813	1.2
149.01241	3.0
149.02852	11.9
149.05988	1.5
151.06305	2.6
151.53189	2.5
152.02287	1.6
152.98628	1.6
154.02034	2.8
155.00084	2.1
155.01869	6.2
155.02954	2.1
155.04596	2.3
156.03552	2.2
156.98096	4.4
157.03482	4.2
157.06035	1.6
158.01263	4.0
158.03598	1.1
158.99669	18.7
159.00929	1.9
159.03110	4.2
159.05040	2.1
161.01227	3.6
161.02913	7.3
161.05550	3.1
162.03586	1.7
162.99026	3.1
163.03961	2.7
166.06599	2.5
167.01906	1.7
168.01836	3.7
168.03609	51.6
168.53728	2.1
169.04468	1.3
170.03409	2.6
170.05011	1.1
170.99695	4.8
172.05685	4.3
173.01222	12.5
173.02927	5.7
174.99147	21.0
175.00687	1.8
175.02551	1.2
175.04497	1.9
176.03459	1.4
177.00879	5.6
177.04147	74.5
177.54306	3.2
178.04980	5.7
181.07269	7.2
182.03400	5.1
182.99606	1.7
184.03084	1.9
184.05026	1.3
185.01317	1.9
185.02960	3.6
186.03387	2.1
186.04829	2.2
186.99092	1.4
187.02682	1.2
187.04462	3.4
187.06322	1.1
188.54968	6.1
189.00703	6.0
189.04399	1.1
189.56087	1.2
190.04906	1.2
190.06650	2.0
190.98622	1.8
191.02246	5.7
191.03918	10.7
191.05627	1.5
191.54051	1.0
193.00224	22.5
193.05113	1.4
195.04019	1.4
198.02831	1.3
200.02464	1.9
200.04408	6.3
201.00676	3.7
203.02327	1.3
203.04028	3.7
205.00266	2.5
205.03709	1.1
205.05501	1.3
207.01689	1.7
211.01198	2.3
211.06068	1.0
211.08112	2.3
212.02725	1.1
212.04471	7.3
212.14076	1.6
213.00664	1.8
214.01175	1.9
215.02258	1.3
216.05928	1.8
217.00214	9.6
217.03679	2.5
219.01778	6.7
219.05217	1.9
221.04958	7.8
223.01195	1.5
223.08209	1.2
226.04022	2.1
227.02191	1.5
231.01732	1.1
232.03717	1.6
232.99634	1.9
233.03264	4.9
235.01198	10.1
235.06607	5.5
237.02771	5.2
237.06097	1.6
240.05823	7.8
241.09122	1.8
244.06662	1.5
245.03122	1.2
249.06337	21.9
253.07669	3.8
255.07335	1.3
258.06821	16.2
258.10907	1.3
259.10410	2.2
275.97690	1.4
276.08322	4.2
279.03790	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01867	2.3
56.96565	13.7
57.03438	5.9
58.03769	0.9
59.04996	1.0
61.02928	6.8
64.03181	0.8
69.03429	12.5
69.93610	3.4
70.03771	1.2
70.06598	2.7
71.01356	0.9
71.04984	4.3
72.08157	2.0
73.02911	9.5
79.05495	2.5
80.48724	1.0
81.03424	5.3
81.07050	3.9
82.99859	1.1
83.04987	1.2
84.04488	0.9
84.96029	2.0
85.02907	20.5
86.06032	1.3
87.04488	1.6
88.01824	1.0
89.34107	0.9
90.47729	0.8
91.03957	1.3
91.05462	3.8
97.02343	2.2
97.02895	22.4
98.01294	1.2
98.03228	1.1
98.97587	35.8
99.04449	3.9
99.97900	1.4
101.00845	6.3
101.02505	1.1
104.01282	1.3
105.02099	1.0
106.02822	2.7
109.02888	3.7
109.06522	4.2
110.01274	3.3
110.97574	5.4
111.05563	2.3
112.99136	19.8
113.00845	2.0
114.05508	3.2
115.02387	2.2
115.03980	1.1
116.98624	6.9
117.02044	1.1
118.02835	1.4
118.08613	1.3
119.01913	5.1
119.04958	1.4
123.08101	1.0
124.02819	2.9
124.99105	1.5
125.03592	1.0
127.00690	4.0
127.02397	1.9
127.03907	6.3
128.98624	3.0
130.02774	1.0
131.00188	9.7
131.01811	4.4
131.03572	1.8
131.51933	1.2
133.03401	3.6
137.05977	16.1
139.00749	1.2
139.02393	1.1
139.03345	3.1
139.04266	1.3
140.02301	11.6
140.52486	3.3
143.00148	3.8
143.01900	4.1
144.98083	2.0
145.01727	4.8
145.03429	3.6
145.04927	2.8
146.03490	1.0
146.99648	1.9
147.03090	1.5
148.03854	2.2
149.01247	3.2
149.02803	4.9
154.03889	3.1
155.01886	2.6
156.03583	1.3
157.01701	2.6
157.03468	3.9
158.99660	9.1
160.03859	3.8
161.01427	1.0
161.02963	4.1
161.55673	2.3
162.03569	1.9
162.05585	1.1
163.02843	1.4
163.04424	1.6
168.03566	5.3
168.53874	4.6
168.55252	1.3
169.04335	49.6
169.54510	2.1
170.99644	2.3
173.01347	2.0
173.02963	2.9
174.99155	1.0
175.02803	4.7
175.04297	1.1
177.00745	2.6
177.04153	6.6
177.54324	9.7
178.04936	100.0
178.55132	4.0
179.05531	2.0
182.03346	1.6
185.02907	1.1
187.04407	12.3
189.00656	1.5
189.55675	4.5
190.05701	1.4
191.02304	1.4
191.03757	1.6
191.54128	1.7
193.03792	4.3
196.04927	1.5
199.04454	1.5
200.04411	2.2
201.00713	1.8
203.04018	2.7
211.02849	1.1
211.04810	2.5
214.06091	1.2
219.01772	4.9
221.05005	2.7
221.55107	1.8
234.64519	0.8
235.04781	2.0
235.06825	2.2
236.06824	1.3
237.02751	2.5
249.56415	2.8
250.07118	15.8
258.56912	2.8
259.03879	1.7
259.07410	19.3
259.12970	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	259.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01867	2.3
56.96565	13.7
57.03438	5.9
58.03769	0.9
59.04996	1.0
61.02928	6.8
64.03181	0.8
69.03429	12.5
69.93610	3.4
70.03771	1.2
70.06598	2.7
71.01356	0.9
71.04984	4.3
72.08157	2.0
73.02911	9.5
79.05495	2.5
80.48724	1.0
81.03424	5.3
81.07050	3.9
82.99859	1.1
83.04987	1.2
84.04488	0.9
84.96029	2.0
85.02907	20.5
86.06032	1.3
87.04488	1.6
88.01824	1.0
89.34107	0.9
90.47729	0.8
91.03957	1.3
91.05462	3.8
97.02343	2.2
97.02895	22.4
98.01294	1.2
98.03228	1.1
98.97587	35.8
99.04449	3.9
99.97900	1.4
101.00845	6.3
101.02505	1.1
104.01282	1.3
105.02099	1.0
106.02822	2.7
109.02888	3.7
109.06522	4.2
110.01274	3.3
110.97574	5.4
111.05563	2.3
112.99136	19.8
113.00845	2.0
114.05508	3.2
115.02387	2.2
115.03980	1.1
116.98624	6.9
117.02044	1.1
118.02835	1.4
118.08613	1.3
119.01913	5.1
119.04958	1.4
123.08101	1.0
124.02819	2.9
124.99105	1.5
125.03592	1.0
127.00690	4.0
127.02397	1.9
127.03907	6.3
128.98624	3.0
130.02774	1.0
131.00188	9.7
131.01811	4.4
131.03572	1.8
131.51933	1.2
133.03401	3.6
137.05977	16.1
139.00749	1.2
139.02393	1.1
139.03345	3.1
139.04266	1.3
140.02301	11.6
140.52486	3.3
143.00148	3.8
143.01900	4.1
144.98083	2.0
145.01727	4.8
145.03429	3.6
145.04927	2.8
146.03490	1.0
146.99648	1.9
147.03090	1.5
148.03854	2.2
149.01247	3.2
149.02803	4.9
154.03889	3.1
155.01886	2.6
156.03583	1.3
157.01701	2.6
157.03468	3.9
158.99660	9.1
160.03859	3.8
161.01427	1.0
161.02963	4.1
161.55673	2.3
162.03569	1.9
162.05585	1.1
163.02843	1.4
163.04424	1.6
168.03566	5.3
168.53874	4.6
168.55252	1.3
169.04335	49.6
169.54510	2.1
170.99644	2.3
173.01347	2.0
173.02963	2.9
174.99155	1.0
175.02803	4.7
175.04297	1.1
177.00745	2.6
177.04153	6.6
177.54324	9.7
178.04936	100.0
178.55132	4.0
179.05531	2.0
182.03346	1.6
185.02907	1.1
187.04407	12.3
189.00656	1.5
189.55675	4.5
190.05701	1.4
191.02304	1.4
191.03757	1.6
191.54128	1.7
193.03792	4.3
196.04927	1.5
199.04454	1.5
200.04411	2.2
201.00713	1.8
203.04018	2.7
211.02849	1.1
211.04810	2.5
214.06091	1.2
219.01772	4.9
221.05005	2.7
221.55107	1.8
234.64519	0.8
235.04781	2.0
235.06825	2.2
236.06824	1.3
237.02751	2.5
249.56415	2.8
250.07118	15.8
258.56912	2.8
259.03879	1.7
259.07410	19.3
259.12970	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	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05523	14.4
57.07066	2.9
67.05503	12.0
69.07078	38.2
70.91490	3.9
71.05000	32.1
79.05481	6.7
81.07060	20.6
83.04990	5.2
83.08612	9.9
85.06557	23.7
91.05495	12.1
93.07048	20.4
95.04954	2.5
95.08604	17.8
97.06527	5.6
99.08107	2.6
104.92519	2.5
105.07046	31.3
107.08597	21.3
109.06497	10.5
109.10188	16.7
111.08084	18.4
111.77277	2.3
116.67316	2.7
117.06992	6.5
119.08593	66.2
120.09334	2.6
121.10170	13.5
123.08090	2.5
123.11721	26.9
126.24471	2.3
129.07034	5.0
131.08568	14.3
133.10147	38.3
135.08064	26.2
135.11702	7.5
137.09644	3.2
143.08556	6.7
144.09332	3.2
145.10141	38.4
147.11722	18.9
149.09601	3.8
151.11169	2.2
156.09372	3.9
157.10143	13.8
159.11697	32.0
160.12498	5.1
161.13278	46.9
163.11238	3.8
163.80423	2.2
171.11761	16.3
171.54205	2.4
173.13275	10.0
175.11203	4.1
175.14844	100.0
176.15616	5.1
177.12778	3.9
177.16342	3.6
185.13280	22.3
189.12721	3.7
189.16318	7.5
199.14915	3.8
201.16411	29.9
203.14369	12.7
215.18016	3.9
217.19455	3.2
241.19562	19.3
259.20605	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01859	1.2
55.05503	0.6
56.96565	42.1
57.03444	2.9
60.95841	2.2
61.02639	0.5
61.02922	2.0
65.03937	1.2
67.05496	2.2
68.96268	0.6
69.03432	5.1
70.06573	1.1
70.98125	0.8
71.04997	1.2
71.51783	1.0
71.95264	1.6
72.08141	2.0
72.99619	0.6
73.02921	4.9
74.97604	4.4
79.05495	7.2
80.05816	0.7
81.03414	2.2
81.07056	6.9
82.07390	0.9
83.04961	0.7
84.04502	2.8
84.08135	3.2
84.96040	11.6
85.02437	0.7
85.02911	7.8
86.03221	0.7
86.09708	10.0
86.97598	3.3
91.05477	6.2
92.05827	0.9
93.07039	2.8
94.04215	1.0
95.08617	3.5
97.02885	4.6
97.96801	1.0
98.97586	100.0
99.04449	1.2
99.97935	0.6
101.00845	2.8
102.00924	0.8
102.96873	14.9
103.00644	2.0
104.98621	0.6
105.07038	4.6
107.04949	1.9
107.08599	2.0
109.02884	1.9
109.06527	6.5
110.01267	0.7
110.97575	21.0
110.98348	1.1
111.02012	0.6
112.99138	7.2
112.99883	0.9
113.00849	1.0
114.96996	0.8
115.00709	1.4
115.02362	2.6
116.98627	31.8
117.98885	0.5
119.01861	3.2
119.04964	2.0
120.02067	0.7
120.97926	5.1
121.01666	1.3
121.06502	3.5
122.97536	0.7
123.08075	5.4
124.99107	7.8
126.02558	1.0
126.97004	0.7
127.00669	3.2
127.03960	1.5
128.02354	1.3
128.98610	12.9
128.99556	0.6
129.02112	0.5
130.05025	1.1
130.08635	0.8
130.61029	0.5
131.00186	5.5
131.01872	1.6
131.03735	0.6
132.10210	1.0
132.98058	0.9
133.01639	0.6
133.03439	1.4
134.99652	5.8
135.03178	0.6
135.04433	0.8
136.02791	1.3
136.05267	0.6
136.99153	1.1
137.05978	28.1
138.06305	4.1
138.98953	1.3
139.00638	1.2
139.07520	0.9
140.00166	1.0
140.98607	13.3
143.00168	18.2
143.01831	3.6
143.03549	0.8
144.02051	2.1
144.98087	1.6
145.01669	3.4
145.03473	1.0
145.04959	0.8
146.99631	4.0
147.03229	1.5
147.04434	0.8
147.07620	0.6
148.06033	1.4
149.01227	2.5
149.04868	0.8
149.06000	1.4
150.99132	0.8
152.98610	5.2
155.00172	4.9
155.01909	1.9
156.03622	2.1
157.01697	1.9
157.03401	0.6
158.99667	23.7
159.03227	0.9
160.99139	1.0
161.01244	9.4
161.02948	3.6
162.03152	1.1
162.99091	1.2
163.02745	1.5
164.05952	2.1
164.07129	1.3
166.55836	0.7
167.02155	0.8
167.07047	0.6
170.55153	1.3
170.99686	13.1
171.04897	0.6
172.05699	3.3
172.55879	1.7
173.01254	12.2
173.02960	2.3
173.06433	0.8
174.99136	1.2
175.02765	1.6
175.06468	0.7
176.93781	1.2
177.00722	14.4
177.02209	1.3
178.03873	4.1
179.00175	1.3
179.02275	0.6
179.05576	0.9
179.55620	2.8
180.05486	3.0
181.01714	0.7
181.06165	1.1
181.56490	1.1
182.99661	4.2
184.05008	0.8
185.02985	1.1
186.03403	0.9
187.02864	0.8
187.04404	22.7
187.54591	1.1
189.00711	9.5
189.04167	1.6
189.06017	3.1
190.06776	1.8
191.02267	9.3
191.03850	1.2
193.00116	0.8
193.01729	1.0
195.01762	1.2
195.03418	0.8
196.04987	1.7
197.01292	2.4
197.02968	0.7
197.04819	0.9
197.12869	1.4
198.99017	0.6
199.02658	0.9
201.00722	15.3
201.02493	0.8
201.04185	1.4
203.02338	0.8
203.04053	1.4
205.00139	0.8
205.03854	1.0
207.01817	2.9
210.11375	0.8
211.02806	2.4
213.00780	2.5
215.02315	2.1
215.04137	0.7
215.05913	0.7
218.94872	0.6
219.01762	30.1
219.08940	0.6
221.05103	0.9
225.00739	0.9
229.03708	2.1
231.01740	3.2
237.02815	18.3
238.03107	0.7
238.06194	1.0
240.04791	0.8
241.03891	0.9
243.01741	2.8
243.13432	1.3
245.05241	1.0
246.05263	1.5
247.05025	1.3
249.02861	0.9
253.03894	1.0
256.07352	0.6
260.57471	1.0
260.61234	1.2
260.95877	1.7
260.99890	1.5
261.02878	21.6
261.05905	18.5
261.09689	4.2
261.14609	1.3
264.06400	0.7
278.96854	10.7
279.00760	1.5
279.03955	10.4
279.07306	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	261.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20412	0.5
56.96567	25.0
57.03413	0.6
57.71677	0.5
58.30627	0.5
61.02940	0.9
69.03406	1.5
69.84901	1.7
70.99802	0.6
71.95256	1.0
73.02889	1.7
74.38642	0.5
74.97615	4.7
81.03383	1.3
82.36134	0.5
82.99836	2.3
84.96006	2.3
85.02886	1.7
85.19250	0.6
86.97159	0.5
86.97591	6.6
91.03924	1.7
97.02890	2.5
97.92316	0.5
97.96794	0.6
98.21433	0.6
98.97588	60.1
99.97893	1.9
100.97168	0.9
101.00884	16.8
102.00945	1.5
102.96889	2.6
104.98631	0.6
110.96861	0.6
110.97562	6.7
112.99097	2.2
113.00844	1.7
114.97060	8.8
115.02335	0.9
116.98625	22.7
119.01921	15.0
120.01991	1.4
120.97946	0.9
123.99399	0.6
124.99118	3.3
125.99130	1.8
126.98012	0.6
126.98974	0.6
127.00569	0.7
127.02393	2.1
128.98607	3.6
129.02167	0.7
131.00137	1.9
131.01865	2.3
132.98102	16.5
133.03456	1.0
134.99643	5.2
137.02898	0.9
137.05934	1.1
138.01682	0.5
138.99867	0.7
139.02370	0.7
140.98651	2.6
142.03355	0.5
142.96538	1.2
143.00200	4.6
143.01900	8.9
144.02011	0.9
144.98108	0.7
145.03462	5.5
146.99657	2.9
150.99146	19.6
155.01866	1.2
156.00002	0.6
157.03421	1.9
158.99706	8.3
160.97546	2.3
160.99329	0.6
161.01189	1.2
161.02954	13.8
165.48759	0.6
165.99620	0.6
168.00162	2.1
169.00189	4.3
170.99626	1.8
171.01340	3.4
172.94315	0.6
173.01178	2.4
173.02896	3.6
174.00215	1.8
174.03053	0.5
174.99158	8.8
175.02933	0.7
175.04442	0.6
177.00822	19.0
177.50914	0.7
178.98611	1.6
179.00317	0.6
182.02597	1.1
183.00691	2.7
183.04985	1.4
183.50815	1.0
185.02942	1.2
185.04599	0.7
186.01216	3.7
187.04312	0.7
188.51450	0.7
188.53177	0.7
189.00722	2.3
189.02399	9.3
191.02306	1.1
191.03973	1.8
191.97836	0.9
192.01196	2.8
193.00227	10.2
194.03410	0.7
195.00601	1.3
198.01208	0.8
198.02884	1.7
200.97020	1.5
201.00793	6.3
201.02455	1.6
203.04042	2.4
204.01265	2.1
210.01157	1.6
210.02975	1.3
211.02818	1.0
213.99873	0.5
217.04082	1.1
218.98300	5.9
219.01878	24.8
219.51942	0.8
221.01874	1.4
221.05043	3.1
225.00896	1.4
228.02336	1.8
231.01723	1.5
233.04984	1.0
236.99271	2.5
237.02843	4.2
237.98782	7.2
238.03082	1.4
238.98450	0.7
239.06131	1.1
240.02284	0.9
243.02007	14.9
246.49020	0.6
249.03003	1.8
256.04150	1.1
260.99673	7.6
261.02994	100.0
261.55109	0.6
262.03152	1.4
264.06158	0.9
269.55618	0.6
278.96838	1.5
279.00531	7.0
279.03516	0.8
279.05542	1.9
284.04578	1.4
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	Dinortrixagone
Peak:m/z	Relative Intensity
53.03948	1.7
54.40432	0.3
55.01881	0.6
55.05515	10.0
57.03434	1.2
57.07079	2.5
65.03941	1.2
65.65758	0.3
67.05508	29.9
69.07073	9.1
69.22433	2.3
69.84167	0.2
71.05007	1.5
71.08626	1.2
77.03925	0.9
79.05498	39.7
81.07061	33.9
83.04986	0.8
83.08626	5.7
85.06547	2.8
91.05486	18.0
93.07050	52.5
94.09839	0.3
95.04969	2.0
95.08610	25.4
97.06547	2.7
97.10162	2.7
99.08093	2.5
105.04527	0.6
105.07037	12.9
107.08599	35.4
109.06514	1.4
109.10164	9.8
110.51694	0.3
111.08090	1.8
113.09673	0.8
115.05456	0.5
117.07023	4.6
119.06061	0.7
119.07722	0.3
119.08588	11.2
121.10148	32.2
123.08073	1.2
123.11715	3.6
125.09628	1.0
129.07018	0.3
131.08574	11.5
133.09119	0.5
133.10130	9.3
134.49486	0.4
135.11696	26.0
137.09622	0.9
137.13239	1.1
139.11200	0.7
145.10129	10.6
147.11693	8.1
149.09616	0.6
149.13263	20.9
151.11194	0.5
151.14764	0.6
153.12750	0.7
157.10065	0.3
159.11700	7.8
161.13268	9.4
163.11160	0.3
163.14828	15.4
165.12762	0.9
165.16429	0.3
173.13275	9.7
175.14833	3.5
177.12727	0.4
177.16383	4.2
179.14301	1.4
187.14827	6.2
189.16393	0.7
191.14348	0.4
201.16402	2.7
203.17834	0.3
205.15913	0.5
215.17964	3.0
217.06175	0.3
217.19536	0.5
219.17485	0.9
233.22668	0.8
239.23424	0.3
243.21091	26.2
261.22144	100.0
262.22513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02375	0.4
53.03939	1.3
55.01868	0.6
55.05512	9.7
57.03436	1.2
57.07077	2.8
65.03938	1.0
67.05507	31.2
69.07069	9.5
71.04990	1.7
71.08630	1.2
71.52763	0.3
77.03954	0.8
79.05494	40.8
81.03407	0.3
81.07057	37.8
83.04967	0.7
83.08623	5.7
83.71052	0.2
85.06547	3.0
85.10198	0.4
85.83156	0.2
91.05482	21.2
91.79658	0.2
93.07046	53.8
95.04971	1.9
95.08608	27.2
97.06531	2.0
97.10172	2.5
99.08096	3.1
103.05492	0.4
105.04513	0.8
105.07034	14.0
107.08595	35.4
109.06523	1.5
109.10158	11.8
111.08083	2.3
111.11719	0.7
113.09641	1.0
115.05432	0.3
116.12842	0.2
117.07027	5.7
119.06104	0.3
119.07708	0.3
119.08585	12.0
121.10146	30.9
123.08061	0.9
123.11705	3.8
125.09612	1.0
127.11210	0.4
129.07013	0.3
130.07845	0.3
131.08565	10.6
132.00780	0.3
133.09119	0.6
133.10132	10.9
135.11694	27.3
137.09625	1.2
137.13228	1.4
139.11206	0.5
143.08504	0.3
145.10126	11.2
147.11693	10.4
148.10153	0.3
149.02347	0.4
149.13263	22.8
151.11153	1.0
151.14810	0.6
153.12724	0.6
159.11696	9.1
161.13264	9.8
163.14822	16.4
165.12766	1.2
168.59013	0.3
171.11754	0.3
173.13264	8.7
175.14836	3.5
177.12787	0.4
177.16385	4.8
179.14326	0.9
182.45557	0.2
185.13243	0.3
187.14827	5.7
189.16379	0.6
191.14310	0.5
193.15794	0.3
200.61978	0.3
201.16394	2.7
203.17941	0.5
205.15904	0.9
215.17947	2.0
217.19556	0.5
218.07309	0.3
219.17436	0.7
229.35291	0.2
233.19008	0.3
233.22603	1.0
243.21089	28.6
256.94028	0.3
261.22137	100.0
262.22452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62251	0.3
51.02380	0.5
53.03741	0.3
53.03951	1.8
55.01862	0.4
55.05516	10.0
57.02283	0.3
57.03443	1.2
57.07081	3.3
65.03939	1.5
65.39713	0.4
67.05511	30.0
69.03944	0.3
69.07077	9.8
69.79002	2.0
71.01119	0.3
71.04999	1.8
71.08632	1.2
75.33548	0.3
77.03918	0.6
79.05502	40.0
81.07065	35.1
81.72661	0.3
83.04961	0.4
83.08632	5.0
85.06541	2.9
85.10161	0.4
91.04911	0.7
91.05489	19.1
93.07052	52.8
95.04992	2.4
95.08615	27.4
97.06544	2.8
97.10184	2.1
98.03944	0.3
98.20839	0.5
99.08104	3.0
103.05439	0.4
105.04529	1.1
105.06316	0.5
105.07037	13.6
107.08604	35.3
109.06531	1.2
109.10164	10.4
111.08113	2.9
113.09666	1.1
116.68548	0.4
117.07026	5.0
119.08595	11.2
121.10156	31.1
123.08082	1.2
123.11713	3.3
125.09618	1.2
127.11288	0.6
129.06940	0.4
131.08589	10.6
133.10143	11.0
135.11705	26.9
137.09616	1.3
137.13272	1.0
144.09238	0.4
145.10135	11.2
147.11694	9.9
149.02364	0.7
149.13274	22.1
151.11156	1.1
151.14787	0.6
153.12741	0.6
159.10466	0.6
159.11708	8.1
161.13272	9.3
163.11174	0.8
163.14841	17.7
165.12717	1.0
173.13283	8.1
175.14825	3.9
177.12920	0.4
177.16414	5.1
179.14282	2.1
187.14854	6.1
189.16438	1.1
201.16400	2.4
205.15875	0.6
215.17963	2.4
217.19502	0.8
219.17484	0.7
233.22615	1.4
243.21106	29.6
261.22159	100.0
283.96204	0.4
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
53.03951	2.1
55.01865	0.6
55.05515	9.2
57.03434	1.1
57.07079	2.8
60.85901	0.3
65.03948	0.7
67.05508	28.7
69.07075	8.4
69.72108	1.9
70.12804	0.4
71.05000	1.7
71.08620	1.0
77.03933	0.8
78.04735	0.4
79.05498	38.9
81.03417	0.5
81.07061	34.8
83.04994	0.6
83.08627	5.6
85.06561	2.8
89.28943	0.4
91.04900	0.7
91.05486	20.2
93.07049	50.2
95.04993	2.5
95.08612	24.5
97.06548	1.8
97.10166	1.8
99.08091	2.6
105.04516	0.6
105.07040	13.8
107.08601	35.2
109.06532	1.2
109.10161	12.3
110.45327	0.3
111.08097	2.2
113.09657	1.2
117.07020	4.7
119.06099	0.5
119.08591	11.4
121.10149	32.3
123.08072	1.0
123.11720	3.4
125.09651	1.1
129.07010	0.7
131.08575	10.8
133.10138	9.7
135.11699	25.8
137.09622	1.0
137.13286	0.9
138.29387	0.3
139.11156	0.4
143.08551	0.4
145.10135	10.8
147.11707	8.9
147.12823	0.8
149.02345	0.9
149.09711	0.5
149.13269	19.6
151.11197	0.7
151.14828	0.9
153.12677	0.7
159.11710	7.8
161.13272	8.4
163.14828	16.5
165.12794	1.1
165.16379	0.5
171.11720	0.5
173.13268	8.8
175.14857	3.5
177.16393	5.0
179.14331	1.3
187.14819	6.1
189.16353	1.3
191.14272	0.8
201.16432	2.1
203.17921	0.6
205.15961	0.9
215.17946	2.9
217.19572	0.6
219.17448	0.8
233.22635	1.0
243.21101	28.2
261.22150	100.0
262.22629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	4,5-(methanoxyethano)isolongifol-4-ene
Peak:m/z	Relative Intensity
53.03936	2.4
55.05516	8.5
57.03432	1.2
57.07064	2.9
65.03940	1.8
67.05509	30.2
69.07075	11.6
69.47335	5.2
70.33176	0.7
71.04999	1.1
71.08615	1.3
79.05498	38.0
81.07057	36.5
83.08629	5.3
85.06536	2.7
91.05484	18.5
93.07049	54.4
95.04954	2.2
95.08617	26.8
97.06517	2.1
97.10165	2.0
99.08078	3.9
105.04535	1.0
105.07030	12.9
107.08598	35.7
107.60252	0.8
109.06517	1.7
109.10165	12.0
111.08078	2.4
112.32046	0.8
113.09660	0.9
117.07036	5.7
119.08588	13.2
121.10153	33.2
123.08058	1.0
123.11713	3.4
125.09641	1.2
130.07761	1.0
131.08577	11.9
133.10146	10.2
135.08011	1.0
135.11696	24.3
137.09612	1.0
139.11215	0.9
145.10123	13.3
146.52423	0.8
147.11693	9.0
149.02357	2.1
149.13268	20.9
159.11729	9.4
161.13242	9.2
163.14838	17.4
165.12717	1.2
173.13254	10.0
175.14874	4.1
177.16394	4.6
179.14357	1.9
187.14851	6.0
189.16365	1.2
201.16409	3.7
215.17944	9.0
217.19403	1.3
233.22606	1.7
243.21098	25.5
261.09042	1.3
261.13055	2.6
261.22141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17723	4.2
55.76686	3.9
69.93530	7.9
69.93941	13.3
74.90745	4.4
79.05466	4.1
82.99872	10.5
101.00888	42.3
113.00893	7.2
115.41776	5.3
119.01927	26.8
131.01921	20.0
136.81721	4.3
140.87692	4.4
143.01913	92.7
149.53171	5.1
155.01872	24.8
161.02963	100.0
164.06836	7.1
173.02945	29.5
185.03006	6.9
191.03998	11.9
203.03996	38.8
221.05128	6.3
263.01709	44.1
263.05899	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	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.9
69.68259	4.8
69.68566	1.0
73.02898	0.9
75.62753	0.8
82.99818	6.4
84.00625	0.8
85.02900	1.3
94.99818	1.4
96.66048	0.8
101.00887	39.1
113.00879	9.4
119.01925	24.5
131.01915	14.0
133.03366	1.0
137.02904	1.2
139.02486	1.1
143.01904	89.5
144.02025	0.8
145.03465	1.1
155.01889	16.7
157.03447	3.8
161.02963	100.0
162.48448	0.8
167.01848	1.1
173.02974	27.6
184.04482	1.9
185.02953	5.0
191.03999	12.5
197.02856	1.0
203.04019	35.3
221.05086	6.7
233.05153	1.3
239.06056	2.7
245.04965	0.9
263.01834	1.5
263.06091	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70145	0.4
56.96582	1.5
61.42091	0.4
63.06678	0.4
69.03443	0.9
70.99869	1.0
71.04741	0.9
73.02930	1.3
77.00909	0.7
82.99824	5.5
85.02910	1.1
86.99297	0.4
89.00927	0.9
94.99821	1.0
96.46573	0.5
97.02917	1.3
98.97598	1.6
101.00892	33.5
105.00381	0.6
113.00877	9.6
115.02427	1.2
115.31167	0.4
119.01926	27.5
127.02419	1.1
128.98705	0.6
131.01920	14.3
133.03477	1.0
137.01886	0.6
137.02966	1.1
139.02434	1.3
143.01909	83.9
144.01889	0.5
145.03468	1.9
149.02968	0.8
155.01900	21.2
157.03447	2.8
161.02965	100.0
167.01855	1.4
173.02977	33.4
175.04518	1.0
179.02011	0.5
179.03963	1.6
182.03322	1.4
184.04556	1.9
185.02995	6.0
185.55840	0.5
190.98529	0.7
191.04015	14.2
197.02950	1.8
203.04021	29.6
208.99788	0.6
214.05490	0.5
215.04008	1.5
221.03061	0.7
221.05077	5.8
233.05057	1.6
239.06160	3.0
245.05070	1.0
263.01880	7.4
263.06104	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	263.1277
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03951	1.7
55.01883	4.3
55.05517	2.4
56.13900	1.5
67.05507	5.9
69.03437	11.2
69.07074	2.1
69.49932	8.2
79.05493	6.3
79.42828	1.6
81.03409	1.5
81.07054	6.6
81.56712	1.3
83.05001	2.8
85.02917	3.5
87.04449	1.5
90.66201	1.5
91.05493	10.8
93.07038	6.8
95.04973	3.3
95.08611	2.6
97.02917	3.5
97.06550	16.2
98.97608	1.6
102.41583	1.4
105.07034	14.8
107.04963	3.6
107.08606	11.7
109.02881	5.7
109.06527	5.5
109.10150	2.5
111.04454	9.8
111.08076	1.8
113.02370	3.5
115.05466	3.9
117.07033	5.7
119.08574	12.5
121.06490	5.0
121.10111	2.2
123.04426	7.9
123.08086	4.0
128.06209	6.6
129.07019	5.7
130.07828	1.8
131.04907	1.9
131.08549	7.4
133.06488	4.1
133.10138	4.0
135.08064	100.0
137.05992	4.6
137.09665	2.1
141.07013	3.6
142.07759	5.9
143.08562	8.8
144.09326	2.2
145.06493	3.6
145.10129	4.5
146.07240	2.0
147.04440	2.5
147.08060	6.1
147.11676	2.7
149.05969	1.7
149.09665	3.1
151.07573	3.2
153.07025	1.9
155.08539	2.6
156.09326	10.5
157.06419	2.8
157.10208	7.3
158.07266	2.3
159.08066	8.2
159.11702	8.6
160.08818	3.1
161.06017	4.7
161.09702	7.5
161.13190	1.9
163.07520	5.4
165.09134	3.6
169.10132	2.3
170.07310	1.8
171.08078	4.0
171.11691	7.3
172.05211	3.4
172.08842	7.5
173.06012	2.9
173.09569	10.4
175.07562	6.3
175.11205	5.1
181.10112	4.5
184.08876	6.2
185.09622	4.2
187.07576	3.8
187.11180	27.0
188.08342	2.9
189.05498	1.9
189.09172	3.4
189.12819	2.8
191.08589	2.7
192.09460	1.5
197.09726	3.2
199.07568	3.5
199.11214	22.2
202.07791	2.8
202.09831	2.1
203.06923	1.7
203.08583	7.0
203.10641	33.4
205.08635	3.0
205.12109	1.5
209.09630	2.5
212.08292	4.2
215.10706	23.5
217.08675	3.3
217.12263	18.8
219.10229	1.5
220.08847	4.0
227.10689	16.8
231.08087	6.4
233.08215	6.9
233.11716	24.2
233.13858	2.3
235.07727	2.9
235.13251	2.3
245.11758	69.1
248.08310	4.4
263.06827	2.9
263.10571	17.5
263.12933	20.0
263.16913	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01883	4.3
55.05517	2.4
56.13900	1.5
67.05507	5.9
69.03437	11.2
69.07074	2.1
69.49932	8.2
79.05493	6.3
79.42828	1.6
81.03409	1.5
81.07054	6.6
81.56712	1.3
83.05001	2.8
85.02917	3.5
87.04449	1.5
90.66201	1.5
91.05493	10.8
93.07038	6.8
95.04973	3.3
95.08611	2.6
97.02917	3.5
97.06550	16.2
98.97608	1.6
102.41583	1.4
105.07034	14.8
107.04963	3.6
107.08606	11.7
109.02881	5.7
109.06527	5.5
109.10150	2.5
111.04454	9.8
111.08076	1.8
113.02370	3.5
115.05466	3.9
117.07033	5.7
119.08574	12.5
121.06490	5.0
121.10111	2.2
123.04426	7.9
123.08086	4.0
128.06209	6.6
129.07019	5.7
130.07828	1.8
131.04907	1.9
131.08549	7.4
133.06488	4.1
133.10138	4.0
135.08064	100.0
137.05992	4.6
137.09665	2.1
141.07013	3.6
142.07759	5.9
143.08562	8.8
144.09326	2.2
145.06493	3.6
145.10129	4.5
146.07240	2.0
147.04440	2.5
147.08060	6.1
147.11676	2.7
149.05969	1.7
149.09665	3.1
151.07573	3.2
153.07025	1.9
155.08539	2.6
156.09326	10.5
157.06419	2.8
157.10208	7.3
158.07266	2.3
159.08066	8.2
159.11702	8.6
160.08818	3.1
161.06017	4.7
161.09702	7.5
161.13190	1.9
163.07520	5.4
165.09134	3.6
169.10132	2.3
170.07310	1.8
171.08078	4.0
171.11691	7.3
172.05211	3.4
172.08842	7.5
173.06012	2.9
173.09569	10.4
175.07562	6.3
175.11205	5.1
181.10112	4.5
184.08876	6.2
185.09622	4.2
187.07576	3.8
187.11180	27.0
188.08342	2.9
189.05498	1.9
189.09172	3.4
189.12819	2.8
191.08589	2.7
192.09460	1.5
197.09726	3.2
199.07568	3.5
199.11214	22.2
202.07791	2.8
202.09831	2.1
203.06923	1.7
203.08583	7.0
203.10641	33.4
205.08635	3.0
205.12109	1.5
209.09630	2.5
212.08292	4.2
215.10706	23.5
217.08675	3.3
217.12263	18.8
219.10229	1.5
220.08847	4.0
227.10689	16.8
231.08087	6.4
233.08215	6.9
233.11716	24.2
233.13858	2.3
235.07727	2.9
235.13251	2.3
245.11758	69.1
248.08310	4.4
263.06827	2.9
263.10571	17.5
263.12933	20.0
263.16913	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05514	0.6
56.05038	0.5
56.14389	0.4
56.96563	0.9
57.03449	0.7
61.02951	0.4
67.05508	0.4
69.03423	1.4
69.07051	0.4
69.69910	2.2
72.08159	0.5
73.02898	0.6
73.25446	0.4
73.31039	0.3
74.06084	0.4
79.05511	0.9
81.03408	0.9
81.07068	0.9
84.04505	8.3
84.08146	1.3
85.02906	14.5
86.06059	0.7
86.09711	0.5
87.04469	0.5
91.05470	1.3
93.07038	0.5
95.01323	1.9
95.04964	0.8
95.08595	0.6
97.02870	1.0
98.97572	1.1
101.00887	0.6
102.05541	6.3
103.05479	0.4
105.07021	1.0
107.04955	1.0
109.02920	0.5
109.04284	0.3
109.06510	0.7
110.09628	0.4
111.04449	0.4
112.04019	0.9
113.02357	1.2
114.05479	0.6
115.02173	0.7
115.05463	0.9
117.07004	0.8
118.06559	0.5
119.01927	0.7
119.07333	1.4
119.08550	0.4
121.06485	0.6
123.04427	1.0
127.03912	0.4
128.06236	0.9
128.77397	0.3
129.06981	0.9
130.05003	48.9
131.01930	0.4
131.04945	0.6
132.08105	0.5
132.95799	0.6
133.05333	0.4
133.06454	0.9
134.09653	100.0
134.99593	0.4
135.04391	0.6
136.06160	0.4
137.05983	1.3
142.04999	0.5
143.01904	1.0
143.08549	0.6
145.06441	0.9
147.04427	0.8
147.07967	0.8
149.06023	0.8
149.08269	0.6
151.03909	2.3
155.05954	0.4
157.06436	0.6
158.99699	0.5
160.05208	0.4
160.11153	0.8
161.02991	1.7
161.05991	1.5
162.04128	1.6
163.03864	0.8
164.07027	2.5
169.04968	1.0
169.06374	0.6
171.08052	0.7
173.05968	1.5
174.10306	0.6
175.07541	2.0
177.05472	0.5
180.05426	0.5
181.06421	0.5
184.09706	1.6
185.05984	0.7
187.07489	0.9
189.05507	0.9
191.06984	0.8
199.07578	1.0
199.09653	0.8
201.05482	0.9
201.12346	3.2
202.07809	0.6
203.03778	0.4
203.06903	1.0
203.08542	1.3
217.08571	1.3
219.08086	0.5
220.08711	0.5
222.06976	0.4
227.06995	0.7
231.04962	0.4
231.08023	0.6
232.07764	1.4
233.08267	0.5
240.87794	0.4
245.08008	3.5
245.14848	0.5
246.11258	4.9
248.08235	1.1
251.04315	0.4
263.09509	13.9
263.13858	36.5
264.12183	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03927	1.2
55.05513	11.9
55.12277	1.3
55.33843	1.0
57.03435	1.5
57.07080	9.3
65.03943	1.9
67.05509	81.8
69.07070	17.1
70.64416	3.4
71.04966	1.6
71.08630	5.7
79.05496	21.2
81.07062	100.0
81.43006	1.2
83.08624	13.2
85.06551	3.6
85.10191	2.5
91.05479	16.2
93.07057	23.3
94.04742	1.1
94.34861	1.1
95.08613	83.5
97.06555	7.8
97.10175	7.4
99.08113	6.4
105.07036	8.3
107.08585	12.4
109.06522	1.5
109.10170	44.7
111.08070	4.9
113.09649	2.9
119.08592	12.0
119.55766	1.1
121.10143	20.4
123.08047	2.1
123.11723	20.3
123.37413	1.4
125.09655	1.3
133.10150	17.1
135.11705	10.0
137.09602	1.7
137.13257	9.1
141.12747	2.0
147.11688	8.0
149.13239	8.0
151.11224	1.3
151.14822	6.3
155.14302	1.8
161.13275	9.9
163.14824	7.1
165.16400	10.5
175.14828	6.7
177.16406	2.3
179.17982	4.8
181.15871	1.1
189.16382	4.0
203.08533	1.3
217.19592	2.4
220.08911	1.2
245.22662	40.2
248.08218	1.2
263.10626	3.8
263.23727	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.02383	0.7
53.03936	1.5
53.75428	0.8
53.90329	0.8
55.05271	1.2
55.05517	15.2
55.31733	0.7
57.03420	1.8
57.07079	12.3
62.31685	0.7
63.93402	0.8
65.03944	2.4
67.05510	86.5
69.06733	1.2
69.07075	16.1
69.80717	2.2
69.81123	2.2
71.04985	2.3
71.08340	0.7
71.08638	7.1
73.46722	0.8
79.05499	22.0
81.07063	100.0
83.04977	1.7
83.08625	15.2
85.06557	4.1
85.10175	2.9
85.49462	0.7
91.05486	18.7
93.07050	25.1
93.07638	1.5
95.05018	1.6
95.08614	91.0
97.06537	7.9
97.10180	7.4
98.20640	0.9
99.08117	5.8
105.07043	12.4
107.08599	13.6
109.06512	1.9
109.10166	51.2
111.08081	5.6
111.11716	1.8
113.09646	2.6
119.08590	12.3
121.10148	18.7
123.08079	2.2
123.11713	20.2
125.09645	1.3
127.11195	2.2
133.10144	14.7
133.96419	0.9
135.11703	10.9
137.09587	2.3
137.13269	9.5
139.11115	0.8
141.12758	2.5
143.08572	1.1
147.09761	0.8
147.11702	12.0
149.13260	9.0
151.11145	1.3
151.14813	8.9
153.63199	0.7
155.14297	2.1
157.10149	1.4
161.13263	11.9
163.14822	11.6
165.16434	11.4
175.14822	10.3
177.16374	3.1
179.17979	5.6
181.15889	1.4
189.16370	3.9
191.18048	1.0
200.50894	0.9
203.08574	2.4
203.17947	1.1
217.07405	1.7
217.19681	1.3
220.08868	1.4
221.13242	1.0
230.11317	0.8
231.08081	1.7
233.13200	1.2
235.10968	0.9
245.09848	0.9
245.22664	37.8
248.08217	2.2
263.10797	10.0
263.18292	4.7
263.23721	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	265.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.8
57.03429	1.5
57.07065	1.4
65.03918	1.4
65.62305	1.2
66.70309	1.0
67.05489	3.4
69.03426	2.2
69.07063	4.4
69.14504	7.5
69.14926	5.0
71.05009	1.7
79.05479	4.4
81.03433	2.4
81.04533	2.5
81.07059	11.2
83.04962	1.8
83.08601	3.2
85.02895	1.6
85.06541	2.9
87.04453	1.1
91.05472	6.6
93.07044	6.0
95.08615	9.2
97.02921	1.2
99.48409	1.2
103.05497	6.1
104.06237	1.3
105.07016	4.0
107.04957	1.9
107.08579	5.2
109.02831	1.6
109.10152	4.5
115.03941	1.4
115.05459	20.9
117.07030	45.6
119.08571	5.3
119.30507	1.3
121.02852	1.4
121.10149	2.7
122.07168	19.8
123.04427	1.4
123.11715	2.8
128.06232	3.4
129.07031	5.8
130.04137	2.2
131.04918	2.4
131.08582	6.8
132.05765	2.0
133.06453	1.4
133.10139	2.7
135.08057	1.4
135.11673	2.4
139.07486	1.3
141.07016	1.9
143.04927	1.5
144.04759	5.6
144.05753	3.5
145.06496	79.6
145.10104	2.0
146.07341	1.1
147.04433	1.2
147.08070	3.8
149.09641	1.4
149.13283	1.8
151.07550	1.7
155.06032	15.0
156.05719	16.7
157.06493	5.1
159.08096	6.1
159.11623	1.6
160.05171	2.4
161.06020	5.2
163.03937	5.0
165.05521	3.2
167.07095	3.1
172.05264	1.2
173.05998	100.0
174.06760	1.2
175.03900	2.0
175.07542	4.6
177.09164	1.5
184.05162	1.5
187.07561	7.9
188.08369	1.7
190.06268	36.4
190.08026	1.9
191.07059	1.7
193.08359	1.3
202.06335	5.8
203.07031	17.4
204.07826	1.4
205.06673	3.7
205.08600	88.3
214.08630	2.2
217.08612	64.3
219.08345	1.2
219.10246	3.8
219.13734	1.8
222.06825	1.8
223.09576	1.2
235.09637	10.1
237.09154	2.2
247.09650	6.3
247.16974	2.1
250.06227	2.1
265.08456	12.1
265.10840	5.1
265.13507	1.5
265.15973	2.0
265.19696	1.6
265.25247	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	265.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
57.03431	2.4
58.51354	1.3
61.34550	1.2
62.45686	1.5
67.05502	2.8
69.03430	6.9
69.67571	5.1
69.67981	2.7
79.05492	3.6
81.03386	2.2
81.07055	3.1
85.02911	3.8
91.05468	5.3
93.07037	3.2
97.02905	8.1
98.21490	2.1
103.05466	5.0
105.07037	2.8
107.04964	2.3
107.08598	3.3
109.02850	1.2
109.06525	1.9
115.03944	8.3
115.05464	22.2
117.06246	2.7
117.07030	41.2
119.08586	4.6
122.07146	7.3
128.06258	3.5
129.06995	3.5
130.04158	4.3
131.04881	2.4
131.08569	4.5
133.10155	2.0
135.08046	2.0
135.11699	1.4
137.05994	2.0
141.07060	1.8
143.04936	2.3
144.05727	2.2
145.06496	78.2
147.08041	4.1
155.06079	12.7
156.05713	18.5
157.06525	4.7
158.07361	1.6
159.08084	4.8
160.05246	1.7
161.05962	3.7
163.03918	5.8
167.07008	3.7
173.06000	100.0
175.07552	2.4
187.07538	4.9
190.06274	33.7
202.06248	3.8
203.07039	16.7
205.08623	86.6
215.07098	1.9
217.08624	64.6
219.10193	2.7
222.43576	1.7
235.09694	10.5
247.09692	8.0
247.13242	1.6
250.06317	1.8
265.08453	4.2
265.10846	2.0
265.18143	2.2
272.24036	1.5
280.12585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.5
55.05490	2.6
56.21339	1.3
57.03423	1.9
65.00739	1.6
67.05489	2.8
69.03422	6.9
69.07079	2.3
69.28864	10.1
72.53516	1.3
79.05485	4.0
81.03391	8.3
81.07051	6.3
85.02901	3.2
91.05470	7.4
93.07054	3.4
95.04984	1.5
95.08572	3.3
97.02885	4.8
102.04711	1.6
103.05470	5.0
105.07013	4.5
107.04978	10.7
107.08562	3.1
109.06443	1.4
109.10143	2.6
115.03938	6.5
115.05456	27.9
116.06236	3.1
117.06242	2.7
117.07025	40.2
119.08568	3.0
121.02879	3.5
121.10116	1.7
122.07159	16.4
125.71761	1.6
127.05386	2.3
128.06190	3.9
129.06990	6.2
130.04147	2.8
130.05127	1.4
130.07858	2.1
131.04926	2.0
131.08565	6.4
132.05638	1.9
133.04944	2.1
133.10124	2.1
135.07927	1.9
135.11612	1.4
137.05998	1.9
141.06943	6.3
143.04910	2.3
144.04704	2.4
144.05692	6.7
145.06497	69.9
145.10130	2.7
147.04440	2.0
147.08029	4.0
155.04948	2.8
155.06050	14.7
156.05696	17.2
157.06496	7.0
159.08025	9.4
160.05147	2.8
161.05946	6.5
163.03896	4.5
165.05618	2.0
167.07050	23.7
169.06398	1.7
172.05232	3.1
173.05989	100.0
175.07532	5.6
177.09128	2.3
184.05214	2.8
186.06795	1.5
187.07552	13.0
189.09041	1.5
190.06242	44.4
191.06984	3.6
192.07854	2.2
193.08653	3.2
194.07214	1.6
201.09108	3.1
202.06265	3.1
203.07050	15.9
205.08603	96.6
207.10246	3.1
214.08551	1.6
215.06873	3.6
217.08601	55.9
218.09341	5.4
219.10181	11.3
222.06531	1.8
223.09560	2.2
229.08488	2.1
235.09740	13.1
247.09706	16.9
247.12001	1.9
247.13326	2.4
250.06299	3.7
265.08469	9.0
265.11026	8.9
265.13965	2.0
265.24597	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1071
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
55.01870	1.5
55.05511	2.7
57.07082	1.4
65.74487	1.0
67.05498	4.3
68.86958	1.0
69.03419	2.4
69.07064	4.4
71.52423	1.5
79.05495	3.3
80.34521	1.1
81.03420	2.2
81.04524	2.0
81.07069	6.6
83.08632	2.3
85.02929	1.3
89.03878	1.0
91.05466	6.9
93.07046	6.0
95.04980	2.0
95.08619	8.0
97.02909	1.2
103.05462	6.2
105.07031	5.2
107.04961	4.0
107.08585	3.5
109.02878	3.8
109.06486	1.6
109.10155	5.3
111.04407	1.6
111.08064	1.1
115.05458	22.1
117.07025	43.8
119.08604	4.1
121.06500	2.5
121.10149	2.3
122.07161	13.1
123.11732	1.2
124.05212	1.1
127.05405	2.5
128.06232	4.2
129.06999	3.9
130.04117	2.9
131.04918	3.0
131.08582	3.6
133.06506	1.2
133.10117	1.4
134.15097	1.1
135.04462	1.5
135.08102	1.2
135.11662	1.8
137.13342	1.1
144.04741	3.0
144.05704	2.2
145.06490	78.2
145.10133	4.3
147.04416	1.8
147.08049	3.0
147.11644	1.2
155.04878	2.3
155.06027	15.2
156.05708	19.9
157.06413	5.0
159.08115	4.9
159.11694	3.0
160.05219	3.3
161.05975	3.3
162.45203	1.1
163.03923	4.1
163.11186	6.6
167.07074	3.5
173.05991	100.0
174.06746	1.5
175.03975	1.6
175.07567	4.8
184.05234	1.7
187.07574	5.0
187.09612	1.0
187.11241	4.4
190.06247	37.5
191.06987	1.9
191.10727	1.6
194.07323	1.6
202.06235	4.6
203.07037	17.8
204.07993	1.0
205.08604	94.6
215.06969	1.1
215.10635	2.0
217.08607	60.3
218.09187	1.4
219.08131	1.1
219.10159	3.7
222.06776	1.2
223.09613	1.9
233.11697	1.5
235.09660	10.7
247.09698	4.5
247.13283	1.2
247.16888	2.0
265.08386	4.9
265.10876	6.2
265.15341	1.4
265.17709	5.8
265.25314	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	265.1073
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
55.01867	4.1
67.05513	2.6
69.07098	1.6
69.21371	14.5
72.56280	1.3
79.05500	4.7
81.03419	7.2
81.07066	3.3
83.04990	2.3
91.05479	5.8
93.07062	2.0
95.08599	3.2
102.04640	1.8
103.05493	7.0
105.07036	4.9
107.04957	11.0
107.08577	2.3
107.46291	1.5
109.02916	1.7
109.06517	1.5
112.79265	1.4
115.05462	22.7
117.06241	2.7
117.07030	39.7
119.08574	2.3
121.02866	1.4
121.06580	1.8
122.07118	2.2
124.05182	1.8
128.06250	5.2
129.07042	8.9
130.04129	2.3
131.04987	1.6
131.08607	6.8
135.08064	2.8
141.06985	5.3
143.04880	2.3
144.05692	8.0
145.06499	76.5
147.04449	3.0
147.08093	2.4
155.06046	14.7
156.05725	14.8
157.06516	7.0
157.07689	1.5
158.07170	2.3
159.08064	10.7
160.05199	3.2
161.05994	6.4
163.03970	2.2
165.07033	1.6
167.07053	25.7
169.07654	2.4
173.05995	90.5
175.07545	6.7
181.06371	1.5
187.07561	12.2
187.11179	2.1
190.06262	38.5
191.07022	4.7
192.07751	2.2
193.08702	2.3
194.07274	2.9
202.06242	4.1
203.06996	15.1
203.08481	1.4
205.08609	100.0
207.10217	2.0
215.07037	5.3
217.08607	52.9
218.09319	7.1
219.10097	9.6
219.13861	1.4
222.06546	1.3
222.10081	2.1
229.08546	2.3
229.12256	2.9
235.09723	10.4
237.09091	4.4
247.09648	16.4
247.13234	5.8
250.06204	2.7
250.09531	5.3
264.10892	1.9
265.08499	15.2
265.11490	19.0
265.25214	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	Phomenone
Peak:m/z	Relative Intensity
53.03948	3.7
55.05511	7.9
57.07087	4.6
65.03944	3.4
67.05495	8.2
68.25313	2.8
69.03435	13.7
69.07059	7.7
69.99641	12.0
69.99998	5.7
71.05009	3.5
79.05500	11.0
81.03416	11.9
81.07052	11.0
83.04990	41.2
83.61892	2.8
85.06562	4.4
91.05490	28.4
93.03384	3.8
93.07056	18.1
95.02853	2.9
95.04968	10.5
95.08619	10.4
97.02885	3.5
97.06527	6.1
98.21431	4.4
103.05499	8.4
103.17490	3.0
105.07022	20.0
107.04977	13.1
107.08615	35.9
109.02872	20.0
109.06525	16.2
109.10143	6.0
111.04451	17.2
111.08109	5.4
113.06018	8.4
115.05467	30.5
117.07027	46.7
119.08584	21.9
121.02836	8.1
121.06526	32.8
121.10155	6.9
122.07156	6.5
123.08060	14.9
123.11736	4.2
125.09706	4.2
128.06267	6.9
129.06975	7.5
131.04964	8.4
131.08589	13.2
133.06519	3.8
133.10123	5.1
135.08055	63.3
135.11621	3.4
137.06000	4.8
137.09647	5.3
141.07057	4.4
143.08574	7.6
144.05772	7.6
144.09351	7.2
145.06502	85.4
145.10162	16.2
147.08054	9.4
149.06039	7.4
149.09648	13.7
151.07474	3.2
153.09131	10.7
155.04941	4.4
155.06070	14.1
156.05717	19.4
157.06544	8.4
157.10191	3.6
158.10826	4.8
159.08044	19.1
159.11705	20.7
160.08752	5.1
161.05988	10.8
161.09581	8.5
163.03886	5.5
163.07553	42.5
163.11223	9.8
167.07043	23.5
171.07936	3.2
172.05154	4.1
172.08846	9.8
173.05995	100.0
173.09569	16.0
173.13324	15.8
175.07542	6.6
183.11710	4.2
185.13185	4.0
186.10368	9.6
187.07550	16.1
187.11169	48.1
189.09094	4.1
190.06285	40.4
190.07835	6.9
191.07072	20.3
201.12796	40.6
201.14545	5.8
202.06274	4.2
203.07072	14.3
205.06708	3.4
205.08601	95.2
205.12234	19.4
209.08003	7.8
211.11369	7.8
215.07021	7.7
217.08626	55.2
218.09308	3.8
219.08241	4.7
219.10226	10.2
219.13815	26.0
222.06755	5.1
222.10040	3.6
229.12230	48.6
233.09682	4.7
235.09616	10.0
237.09061	9.8
247.09778	16.2
247.13333	92.6
250.06346	6.8
250.09483	11.2
264.10709	3.4
265.08545	40.1
265.11594	31.8
265.14532	7.1
265.25177	3.8
278.34576	3.5
287.50797	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	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03935	2.2
53.07705	1.5
55.01867	3.9
55.05494	6.8
56.05030	2.0
56.96564	1.9
57.03447	2.7
63.94934	1.6
65.03933	4.2
67.05512	12.5
69.03444	14.7
69.07055	2.4
70.06577	2.1
70.09324	4.2
70.09731	3.7
71.04955	2.9
71.82468	1.6
72.08144	1.6
79.05505	13.0
81.03395	1.9
81.04525	3.4
81.07056	9.2
83.04963	7.1
84.08127	2.5
85.02871	5.5
86.09683	1.8
89.94223	1.9
91.05495	22.6
91.41737	1.6
93.03368	2.2
93.07057	16.1
95.04990	21.7
95.08615	8.7
97.02891	5.7
97.06515	3.4
99.04459	2.3
103.05455	3.0
105.07038	36.8
106.04881	3.1
107.04938	5.0
107.08607	10.2
109.02919	2.8
109.06531	11.1
111.03754	2.7
111.04457	38.9
111.08067	2.9
113.05992	3.6
114.10265	1.8
115.05395	4.2
117.07044	10.4
119.04934	3.4
119.07851	2.4
119.08604	35.2
120.08083	7.0
121.02828	5.6
121.06496	15.7
121.10111	7.3
122.06348	2.2
122.07169	38.1
123.08054	7.4
125.05934	1.8
127.03915	2.1
128.06168	5.1
129.06992	9.8
130.07741	3.1
131.04863	2.1
131.08574	19.8
133.06491	14.8
133.10092	6.8
135.08069	19.9
137.05934	5.7
137.09610	5.2
138.09108	4.8
139.03877	5.3
139.07521	2.6
141.06944	6.5
142.07756	4.9
143.08577	9.6
144.04726	10.3
144.05724	3.7
144.09309	4.7
145.06467	9.8
145.10146	18.1
147.04366	7.3
147.08063	32.7
147.11751	3.1
149.05971	3.4
149.09567	3.7
151.07524	4.6
153.09039	2.0
153.48412	1.7
155.08498	3.5
155.10658	6.2
156.09288	2.0
157.06421	4.4
157.10060	7.7
158.07294	13.4
158.10860	2.1
159.06908	2.2
159.08090	26.5
159.11716	25.0
161.09647	12.3
163.03853	5.8
163.07506	4.4
165.09081	7.9
168.09308	3.1
169.10103	3.5
171.08014	5.7
171.11656	3.8
172.08859	11.2
173.06023	4.0
173.09657	9.0
173.13194	6.6
174.06792	2.1
175.07585	39.5
175.11195	8.1
177.05287	2.1
181.06392	2.4
183.11644	6.6
185.09673	2.8
187.07559	4.3
187.11198	23.8
189.09079	12.3
189.12735	5.6
193.08646	41.4
195.08173	2.2
196.08835	3.9
199.11191	5.6
201.12769	12.8
203.10724	14.5
205.08644	4.4
205.12195	2.5
211.11249	9.7
217.08478	2.7
217.12187	7.1
219.13699	4.8
220.13098	2.4
229.12192	13.3
235.09558	2.3
235.13220	3.4
247.06107	2.8
247.09431	4.7
247.13345	21.6
265.06689	2.7
265.14316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1548
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
53.03938	0.6
55.01879	0.5
55.05515	10.0
56.05044	0.6
57.05828	1.0
65.03938	0.3
67.05508	0.4
69.03436	0.8
69.07077	0.4
70.06606	0.5
71.51946	0.4
72.08160	100.0
73.02937	0.3
79.05512	0.8
81.03423	1.0
81.04555	0.9
81.07082	0.8
83.04962	0.3
83.26842	0.2
84.08161	0.5
85.02911	0.4
85.06535	0.4
86.09713	0.5
91.05495	1.0
93.07053	1.0
95.04985	0.5
95.08607	0.4
97.02913	0.7
97.06545	0.3
98.97599	0.4
103.05450	0.5
105.07048	0.7
107.04971	1.0
107.08571	0.3
109.02898	0.8
109.06563	0.6
110.07151	0.5
111.04453	0.4
111.08104	0.3
115.05471	0.4
117.07059	0.6
119.08614	0.4
120.08113	13.1
121.02871	2.2
121.06579	0.6
121.10165	0.4
122.07160	5.7
123.04459	0.4
123.08084	0.3
127.03954	0.5
129.07014	0.2
131.04953	0.7
131.08597	0.6
133.10217	0.3
135.08058	0.3
136.05281	0.2
136.06163	1.1
137.06010	0.8
141.07042	0.3
144.04784	1.2
144.05818	0.2
145.02844	0.3
145.06529	0.8
147.04436	0.4
147.08043	0.3
149.06013	0.5
151.03978	0.3
151.07587	0.6
157.06549	0.2
159.08139	0.8
159.11810	0.3
161.06027	0.4
161.09668	0.2
163.03972	0.6
164.07094	0.8
166.08658	10.8
173.06049	0.7
173.09720	0.3
175.07640	0.5
177.05522	0.2
177.09094	0.5
187.07603	0.7
191.07190	0.3
193.04980	0.5
201.09288	0.3
203.10741	0.3
205.08711	0.9
207.06606	0.4
217.08788	0.7
219.10283	0.6
219.15009	0.9
222.06761	0.2
229.08749	0.6
229.12225	0.3
235.09685	1.0
237.09175	0.3
241.64372	0.3
247.06026	0.3
247.09657	1.2
247.13419	0.4
247.17096	0.3
264.64548	0.5
265.07196	1.2
265.10742	1.3
265.15485	5.4
266.16119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.2
60.86181	0.1
71.50262	0.1
82.99828	0.5
98.97589	0.5
101.00887	5.1
102.96870	0.1
116.98808	0.3
119.01928	8.5
120.02032	0.1
121.01663	0.2
122.97813	0.2
123.98622	0.1
134.99902	0.6
137.02979	1.0
140.98792	1.1
150.38821	0.1
157.02005	0.1
158.99895	3.6
164.98717	0.2
165.99698	0.3
175.03014	0.4
177.00961	18.7
178.01060	0.2
179.01335	0.1
179.94971	0.1
182.99847	1.2
183.01384	0.1
187.71494	0.1
193.04092	0.1
195.02032	0.3
195.55693	0.1
199.03027	0.4
200.02553	0.1
201.00888	3.8
201.02478	0.5
217.04097	3.3
219.02013	23.7
219.94489	1.0
220.02357	0.5
220.58250	0.1
221.02187	0.1
223.99977	0.2
224.04059	0.1
225.00803	2.3
227.99696	0.1
234.00670	0.3
237.95580	0.4
242.03619	0.3
242.96394	0.8
243.01991	13.5
261.03067	100.0
262.03195	0.9
263.03464	0.4
266.00455	0.2
266.03577	0.6
275.04523	0.3
284.04663	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	266.1024
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
50.87313	0.2
53.03930	0.5
54.71874	0.2
56.05019	1.0
58.06598	0.2
65.03919	0.5
67.05525	1.2
67.05807	0.2
69.84425	1.1
70.06590	0.5
72.08150	0.3
79.05495	1.9
81.03403	0.2
81.07069	2.0
84.04504	1.1
91.05499	2.1
93.03447	1.5
93.07052	1.6
94.06598	0.3
95.04955	1.1
100.07623	0.9
102.05540	0.2
103.05448	0.7
105.07034	0.8
106.06558	0.2
109.06523	0.6
111.04389	0.3
117.05756	0.3
118.06560	0.7
119.04935	0.9
120.04464	0.5
120.08027	0.3
121.02827	0.4
121.06495	1.3
122.07196	0.3
123.04354	0.2
130.05020	0.5
130.06506	0.6
132.08098	1.8
134.06036	0.4
134.09676	0.7
135.04408	0.3
137.05971	1.0
146.06100	0.2
146.09624	0.4
147.04475	0.3
148.07542	0.7
149.06012	0.3
150.09184	0.5
152.05692	1.6
158.06007	0.3
160.07605	2.2
162.05504	0.3
162.09232	1.3
164.07059	0.7
165.05487	0.7
174.09167	0.6
176.07091	1.1
176.10725	2.4
178.08641	2.6
192.10164	0.6
202.08647	0.9
204.06708	0.3
204.10188	0.4
206.08102	0.9
218.08156	0.6
220.09683	3.0
221.10483	1.5
222.07770	0.6
222.11336	0.6
238.10838	0.8
248.09166	0.8
248.12726	0.3
266.10251	100.0
267.10684	0.5
282.86475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.139
Annotation	Salinosporamide G
Peak:m/z	Relative Intensity
53.03941	1.1
56.05027	0.6
56.96584	0.6
65.03916	0.5
65.73092	0.5
67.05501	2.0
69.07050	0.7
70.06577	1.8
71.51011	0.8
81.03438	3.4
85.02859	0.6
86.09721	0.6
89.70556	0.5
94.06576	6.0
95.05016	0.6
97.02903	1.0
105.07050	0.6
106.06534	0.7
109.02889	10.1
110.06031	1.3
120.08125	0.9
122.03197	0.7
122.06036	8.4
122.06995	0.8
122.07215	0.7
123.06814	13.5
124.07652	0.7
134.06020	1.7
138.05513	34.1
139.05751	0.5
140.07167	1.1
150.05519	29.5
151.06302	18.5
152.07054	3.9
153.07877	0.5
160.07581	0.9
162.09201	0.6
164.07076	1.6
168.06573	100.0
169.07365	5.1
173.08369	0.6
176.07030	0.6
176.10692	0.6
177.05461	0.9
194.62013	0.8
202.12280	1.4
206.53513	0.5
220.13332	5.6
225.51268	0.5
230.11768	1.5
241.95305	0.5
248.12883	7.5
264.86816	0.5
266.13895	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.16
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
60.08168	5.6
61.02912	0.7
63.01208	0.5
69.03438	3.5
71.04990	0.7
71.51069	1.0
73.02920	3.5
81.03425	1.2
85.02906	4.6
87.04458	5.4
97.02905	1.9
98.97595	1.5
99.04470	2.0
101.02394	0.8
103.03941	0.7
104.10744	72.3
109.02853	0.8
127.03904	1.7
129.05389	0.8
146.02095	0.8
163.02681	0.7
164.03137	0.6
168.85649	0.6
186.84088	0.6
205.03621	0.6
206.04289	0.7
220.07126	0.6
266.15997	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	266.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.2
55.05523	0.4
59.05000	0.8
59.05257	0.2
60.20446	0.2
61.01832	0.2
61.02929	1.5
62.99307	0.2
69.72070	0.5
69.72484	0.6
69.91760	0.2
70.06586	0.5
71.04990	1.8
79.05507	0.5
81.03423	0.9
81.07056	2.8
94.04060	1.3
98.01813	0.2
98.06072	0.9
109.02891	4.1
109.05101	0.2
113.09666	0.5
119.03564	2.6
124.07534	0.2
136.06186	100.0
137.04654	0.9
145.02815	0.5
150.07732	0.4
169.82750	0.2
172.08522	0.2
177.05511	0.7
177.07999	0.2
212.40758	0.2
219.84602	0.2
221.05911	0.2
234.13504	18.8
236.03752	0.2
245.86459	0.2
248.15443	0.2
263.02423	0.2
266.16095	57.1
267.16422	0.4
278.31860	0.2
279.27408	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.30057	0.7
53.03935	3.6
55.01859	2.0
55.05513	6.4
56.06543	0.8
57.03441	21.4
57.63202	0.7
64.13132	0.9
65.03951	0.8
67.05512	9.7
69.03419	3.0
69.07063	3.1
69.92401	3.0
71.04995	1.9
74.21000	1.0
79.05067	1.2
79.05495	12.9
81.03424	100.0
81.07059	12.4
83.04976	6.0
83.08622	14.8
91.05485	15.5
93.07056	8.6
95.04380	1.4
95.04978	23.6
95.08608	6.0
97.02862	2.2
97.06522	1.9
97.10172	2.0
98.20831	0.9
98.71128	1.0
98.98473	1.5
103.90510	0.8
105.07047	11.0
107.04943	5.3
107.08628	4.2
109.06544	4.3
109.10169	1.7
111.04430	1.5
111.08074	5.9
115.05420	1.4
117.07024	1.0
119.04932	1.1
119.08591	11.7
121.06549	2.1
121.10149	4.3
123.08100	1.8
123.11646	1.1
129.07004	7.6
131.08565	7.0
133.06482	2.9
133.10127	3.5
137.09605	1.4
142.07820	2.0
147.08060	2.6
147.11707	6.1
149.09645	4.1
157.10144	9.7
163.11182	1.0
165.12798	2.2
175.11191	7.0
193.12262	22.0
211.13284	3.7
235.02014	1.1
249.14961	1.0
267.15942	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03930	3.7
54.13575	1.0
55.01877	1.9
55.05508	7.0
57.03162	1.4
57.03440	21.7
67.05513	9.0
69.03426	2.3
69.07073	2.8
69.38070	3.6
69.38503	4.5
79.05499	10.4
81.03427	100.0
81.07063	10.9
83.04996	4.8
83.08621	14.7
91.05486	16.8
93.07048	7.4
95.04978	21.5
95.08603	3.4
97.02888	3.1
97.06544	1.5
97.10172	2.6
98.98486	4.2
105.07041	12.6
107.04944	4.3
107.08576	2.9
109.06501	3.2
111.04454	1.9
111.08103	6.7
115.05528	1.4
117.07030	1.5
119.08595	10.7
121.06551	1.4
121.10143	4.7
128.06256	1.1
129.07013	7.1
131.08569	7.8
133.06464	1.3
133.10133	3.6
137.09584	1.9
142.07767	1.6
147.08049	3.3
147.11700	7.9
149.09625	4.2
150.74986	1.0
157.10129	8.9
165.12743	1.7
175.11218	9.6
193.12265	24.7
211.13293	2.5
242.86372	1.1
243.65906	1.0
249.15103	1.3
267.15930	72.0
278.43524	1.0
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	Grangolide
Peak:m/z	Relative Intensity
53.03936	4.0
55.01865	5.0
55.05500	10.0
57.03442	17.0
59.04992	2.8
61.02925	26.9
65.03943	3.1
67.05510	19.9
69.03096	2.9
69.03433	42.3
69.07059	9.9
71.04989	3.8
71.52504	2.2
73.02905	5.0
79.05499	21.2
81.03413	27.8
81.07061	38.1
83.04971	15.8
83.08611	3.6
85.02909	23.1
87.04480	18.8
91.03965	16.8
91.05485	35.8
93.06495	3.9
93.07053	70.7
93.82556	2.1
95.04965	22.3
95.08610	23.3
97.02894	31.1
97.06493	4.3
99.04424	3.3
105.07033	64.0
107.04948	8.4
107.08596	47.6
109.02877	4.8
109.06532	15.1
109.10163	28.6
109.30979	2.1
110.03277	2.6
111.04456	10.7
115.03944	12.1
117.07015	13.4
119.04988	3.0
119.08595	32.2
121.02854	3.1
121.06513	11.4
121.10146	71.4
123.04455	5.1
123.08041	4.8
123.11697	12.1
125.05994	5.1
127.03926	2.1
128.06186	4.2
129.06999	9.1
130.07806	3.8
131.08578	18.8
133.04991	10.9
133.06468	7.6
133.07550	3.0
133.10133	49.6
135.08087	13.2
135.11697	45.0
137.05969	5.6
137.09625	6.9
142.07750	5.0
143.08569	13.9
144.09302	5.0
145.06589	2.6
145.10143	21.3
147.04419	5.5
147.08015	6.5
147.11699	35.5
147.24338	2.0
149.09650	3.6
149.13257	14.8
151.07536	5.6
151.11127	3.1
153.12688	2.5
154.07726	2.2
156.09355	2.5
157.10164	13.8
159.06569	3.1
159.08067	4.9
159.11714	22.6
161.09618	7.1
161.13252	3.1
163.11154	5.2
165.09186	2.5
167.08479	2.2
171.11658	5.1
173.08185	3.5
173.09662	4.4
173.13263	6.8
175.11211	19.8
177.09317	2.5
177.12758	48.9
180.09450	2.0
183.11699	2.6
185.13234	9.8
189.09177	3.1
191.10583	3.1
193.08672	3.5
193.12239	5.8
199.09706	2.2
201.12752	12.8
203.10574	3.4
203.14365	5.6
213.12755	7.3
219.13846	15.3
231.13820	18.7
237.14903	3.1
237.97177	2.5
249.11343	4.8
249.14874	27.2
267.06744	2.0
267.09979	4.2
267.15930	100.0
280.75177	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	267.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01865	5.0
55.05500	10.0
57.03442	17.0
59.04992	2.8
61.02925	26.9
65.03943	3.1
67.05510	19.9
69.03096	2.9
69.03433	42.3
69.07059	9.9
71.04989	3.8
71.52504	2.2
73.02905	5.0
79.05499	21.2
81.03413	27.8
81.07061	38.1
83.04971	15.8
83.08611	3.6
85.02909	23.1
87.04480	18.8
91.03965	16.8
91.05485	35.8
93.06495	3.9
93.07053	70.7
93.82556	2.1
95.04965	22.3
95.08610	23.3
97.02894	31.1
97.06493	4.3
99.04424	3.3
105.07033	64.0
107.04948	8.4
107.08596	47.6
109.02877	4.8
109.06532	15.1
109.10163	28.6
109.30979	2.1
110.03277	2.6
111.04456	10.7
115.03944	12.1
117.07015	13.4
119.04988	3.0
119.08595	32.2
121.02854	3.1
121.06513	11.4
121.10146	71.4
123.04455	5.1
123.08041	4.8
123.11697	12.1
125.05994	5.1
127.03926	2.1
128.06186	4.2
129.06999	9.1
130.07806	3.8
131.08578	18.8
133.04991	10.9
133.06468	7.6
133.07550	3.0
133.10133	49.6
135.08087	13.2
135.11697	45.0
137.05969	5.6
137.09625	6.9
142.07750	5.0
143.08569	13.9
144.09302	5.0
145.06589	2.6
145.10143	21.3
147.04419	5.5
147.08015	6.5
147.11699	35.5
147.24338	2.0
149.09650	3.6
149.13257	14.8
151.07536	5.6
151.11127	3.1
153.12688	2.5
154.07726	2.2
156.09355	2.5
157.10164	13.8
159.06569	3.1
159.08067	4.9
159.11714	22.6
161.09618	7.1
161.13252	3.1
163.11154	5.2
165.09186	2.5
167.08479	2.2
171.11658	5.1
173.08185	3.5
173.09662	4.4
173.13263	6.8
175.11211	19.8
177.09317	2.5
177.12758	48.9
180.09450	2.0
183.11699	2.6
185.13234	9.8
189.09177	3.1
191.10583	3.1
193.08672	3.5
193.12239	5.8
199.09706	2.2
201.12752	12.8
203.10574	3.4
203.14365	5.6
213.12755	7.3
219.13846	15.3
231.13820	18.7
237.14903	3.1
237.97177	2.5
249.11343	4.8
249.14874	27.2
267.06744	2.0
267.09979	4.2
267.15930	100.0
280.75177	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	267.1957
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
50.70063	1.5
51.24196	1.3
53.03944	4.1
54.27570	1.4
55.01874	2.9
55.05514	24.3
55.37285	1.5
57.03439	3.8
57.07077	4.4
59.47381	1.7
65.03938	2.0
65.30941	1.5
67.05510	83.6
69.03084	3.1
69.03436	34.2
69.07071	17.3
69.77434	8.6
71.04999	3.7
79.05496	24.4
81.03428	15.7
81.07064	100.0
83.05001	12.6
83.08628	20.9
85.06557	4.0
87.04475	58.3
87.04916	1.2
91.05491	23.7
93.07051	28.7
95.04976	4.9
95.08614	85.2
97.06535	6.6
97.10176	12.9
99.04479	2.6
99.08090	2.1
101.06039	19.6
105.07027	20.7
107.04975	3.5
107.08605	19.8
109.06527	3.6
109.10161	42.3
111.04428	3.5
111.08103	2.9
113.06014	2.2
115.03939	38.7
117.06998	2.8
119.08581	22.9
121.06560	1.7
121.10160	19.3
123.08080	3.0
123.11711	22.3
125.05949	1.6
125.09662	6.1
129.05487	8.9
129.07013	6.2
131.08569	5.1
133.06488	3.8
133.10156	16.8
135.08032	1.6
135.11690	7.8
137.05937	2.5
137.09636	5.9
137.13295	9.7
139.11203	5.4
141.05461	4.0
143.08597	2.7
143.10701	5.4
145.10132	4.1
147.08121	3.1
147.11685	10.7
149.13304	3.5
151.07574	2.8
151.11194	3.8
153.09142	2.3
155.07088	2.2
157.06462	2.1
157.10141	2.3
161.09613	3.4
161.13289	5.0
163.11157	2.1
163.70023	1.5
165.09085	4.3
165.12747	2.9
169.08682	1.7
171.10223	8.3
171.11584	2.2
175.11203	2.9
175.14922	2.1
177.16426	8.4
179.10703	2.1
181.04985	2.9
182.33173	1.5
185.11769	3.5
187.07497	2.1
193.12253	6.3
197.11726	3.6
197.51363	1.7
203.14302	2.0
203.17966	33.6
211.13255	2.8
213.16449	3.1
221.18912	8.1
225.14751	1.6
231.17448	7.4
249.11293	8.9
249.14885	3.4
249.18385	3.4
267.06531	2.6
267.10074	5.4
267.12460	2.6
267.16043	11.7
267.19598	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1956
Annotation	(+)-Ro 09-1549
Peak:m/z	Relative Intensity
53.03952	2.5
54.00308	1.6
55.05513	23.5
57.03434	3.5
57.07074	6.0
58.45214	1.3
59.05001	1.9
67.05508	88.1
69.03432	34.9
69.07072	20.2
70.17374	1.4
71.04999	5.4
71.52601	1.3
79.05497	24.3
81.03429	4.1
81.07059	100.0
83.04989	10.2
83.08624	25.1
85.06557	3.1
86.41433	1.5
87.04474	61.1
91.05491	25.4
93.07049	26.1
95.04987	3.7
95.08614	86.5
97.06544	4.8
97.10159	12.2
99.08108	1.9
101.06023	23.4
105.07038	16.8
107.04914	1.7
107.08609	17.0
109.10165	43.0
111.04456	1.4
111.08108	5.4
113.06009	1.8
113.09631	1.5
115.03936	41.9
115.07558	2.7
117.07047	1.9
119.08595	24.2
120.58602	1.3
121.10162	20.1
123.08100	3.7
123.11720	21.4
125.09669	7.6
129.05487	9.3
129.07028	2.6
129.09106	2.2
131.08568	4.9
133.06483	2.0
133.10138	18.5
135.08144	1.4
135.11711	6.0
137.09657	5.2
137.13281	8.4
139.11208	3.8
141.05453	4.6
141.84264	1.3
143.07024	1.5
143.09698	1.5
143.10663	6.8
145.10170	2.8
147.08018	2.3
147.11696	10.3
149.13284	5.7
151.07558	2.9
151.11197	3.7
153.09161	2.4
153.12740	1.5
157.08638	2.4
157.10094	3.3
161.09598	2.8
161.13327	3.5
165.09167	3.4
171.10237	11.4
171.11586	2.0
175.11278	2.0
175.14862	2.8
177.16402	10.9
179.10699	3.2
183.10162	3.2
183.11757	2.0
185.11763	4.8
189.09161	1.5
189.16425	2.8
197.11760	3.9
203.17963	33.4
211.13245	3.0
213.16490	4.2
221.18997	8.9
224.08336	1.8
225.14690	1.7
231.17461	6.8
249.11215	3.1
249.18550	5.0
267.10229	4.2
267.16534	1.8
267.19424	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01867	1.4
56.43577	0.4
56.96568	7.0
57.03444	2.2
60.04530	1.1
60.38586	0.3
61.02927	2.1
65.03927	0.5
67.05499	1.4
69.03435	3.8
69.69063	1.3
69.69489	1.3
70.06573	0.5
70.98112	0.5
71.01341	0.5
71.05004	0.9
73.02927	5.0
73.37851	0.4
79.05501	3.5
81.03421	1.6
81.07064	5.5
84.08138	0.5
84.96037	1.2
85.02915	7.1
86.03249	0.7
87.04462	0.7
88.07629	0.4
89.06059	0.5
91.02340	0.4
91.05495	2.6
93.07046	1.6
94.04101	0.4
95.04978	0.8
95.08604	1.3
96.01550	0.5
97.02895	4.5
98.03245	0.4
98.97594	14.8
99.04459	0.6
100.99173	0.5
101.00825	2.1
102.00998	1.1
103.00647	0.4
104.01313	0.8
104.10750	0.5
105.07034	4.0
106.05060	2.0
106.07378	1.8
107.04972	1.4
107.08614	0.6
109.02876	1.4
109.06544	5.5
110.01263	1.2
110.97584	4.4
112.99125	1.3
116.98647	3.2
118.02792	0.4
119.01888	4.6
119.03574	0.7
119.04961	0.7
120.02003	3.3
121.06512	2.0
123.01231	0.5
123.08096	0.9
124.99071	0.6
126.97000	0.4
127.03944	1.5
128.02357	0.6
128.98639	2.9
130.02876	0.5
131.00233	0.7
131.01802	0.6
133.03395	1.6
134.99689	0.5
136.06195	100.0
137.03003	0.6
137.05981	19.8
138.06308	0.9
139.07539	0.7
140.02315	0.9
140.52454	0.5
140.98596	0.6
143.00157	1.7
143.01900	0.6
143.03600	0.5
144.98027	0.5
145.01735	0.6
145.04968	0.7
146.02356	0.9
146.99619	1.3
147.03091	0.5
149.03725	0.6
149.06038	0.5
152.02354	0.4
154.03943	0.5
155.02820	1.1
157.03439	0.7
158.99686	4.6
159.04976	0.5
161.01352	0.6
161.02899	1.7
163.02831	0.7
163.04340	2.0
163.05936	0.4
164.06154	0.9
165.04979	1.3
167.07045	0.6
168.03638	0.5
168.53786	0.5
169.04388	0.5
170.03366	1.0
170.98421	0.5
170.99649	2.7
172.05626	0.9
173.01225	0.6
173.04654	0.7
174.05487	0.6
177.00841	2.2
177.02135	0.6
177.04189	1.0
177.54359	1.4
178.03883	2.3
178.04999	2.0
179.05382	0.7
180.05539	1.2
182.03445	1.6
182.07310	1.2
182.99640	1.0
187.04410	7.4
189.00711	1.7
189.05923	3.4
191.03868	5.1
193.01823	0.5
196.05066	2.1
198.06575	1.4
200.02895	0.5
200.04451	2.4
200.08307	0.6
200.54608	0.7
201.00731	2.1
206.07489	1.1
208.05034	0.7
211.02808	1.1
213.00804	0.9
215.04024	0.6
219.01817	2.9
222.11200	0.5
224.04721	0.9
224.08276	4.6
225.00673	0.4
229.03830	2.1
231.01729	0.5
236.12730	0.5
237.02829	2.7
242.05753	1.2
242.09480	1.6
243.01703	1.0
244.07278	0.6
250.06232	1.0
253.03922	1.5
255.03905	1.2
259.06540	1.0
261.02765	2.0
268.07303	3.9
268.10541	8.3
268.15857	1.6
271.05032	0.9
279.03860	1.0
286.08456	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
57.03444	0.3
58.34392	0.2
70.52779	0.4
70.53114	0.3
73.02927	0.2
94.04076	0.5
99.09927	0.2
104.31365	0.2
115.03905	0.2
119.03575	0.8
136.06200	100.0
189.06039	0.3
268.10425	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	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.03953	0.2
54.28451	0.1
55.01874	0.3
56.96559	0.6
57.03433	0.9
58.94512	0.2
61.02922	0.4
69.03437	0.7
70.86180	0.1
73.02914	0.7
79.05495	0.3
81.07046	0.6
85.02907	1.1
91.05480	0.4
91.48521	0.2
94.04077	0.3
94.99214	0.2
97.02894	0.4
97.14603	0.1
98.97594	2.2
106.05017	0.2
107.08607	0.2
109.02889	0.2
109.06520	0.5
110.97591	0.5
115.03917	0.2
116.98618	0.3
119.03556	0.9
127.03938	0.3
127.27208	0.2
128.02371	0.1
128.98607	0.2
133.04982	0.2
136.06184	100.0
137.04535	0.2
137.04790	0.2
137.05959	2.7
138.06363	0.2
140.02310	0.2
143.00122	0.3
143.19374	0.2
146.02336	0.3
152.02162	0.2
155.02829	0.2
158.99660	0.6
161.02769	0.2
177.00710	0.4
178.03862	0.6
182.03380	0.2
186.55038	0.2
187.04430	2.6
189.00681	0.2
191.03865	0.6
196.04961	0.3
208.60478	0.2
219.01752	0.6
225.00713	0.2
228.97278	0.2
229.03754	0.5
233.56189	0.2
237.02827	0.2
243.01666	0.2
253.03809	0.2
261.02652	0.2
268.07257	0.5
268.10385	8.0
288.80533	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	268.1181
Annotation	Mortivinacin B
Peak:m/z	Relative Intensity
54.01855	0.4
55.05497	0.5
55.77996	0.4
62.09223	0.4
67.05485	1.0
69.07073	23.0
69.46249	3.0
69.92478	0.4
70.02963	0.5
73.06551	1.2
80.05019	0.8
82.07357	0.5
82.84488	0.4
85.02915	0.5
86.09684	0.5
91.05474	0.9
93.07035	0.8
98.20768	0.6
104.38210	0.4
105.07029	0.7
108.04450	1.6
111.03199	3.9
111.04463	0.7
121.06498	0.8
122.06811	0.8
124.03961	1.0
125.05995	0.5
126.05523	18.8
134.05980	0.4
134.09663	0.5
135.46085	0.5
136.06187	1.7
138.05470	2.4
139.03969	0.7
139.07530	0.5
147.07967	0.5
148.03915	0.8
152.03490	0.6
152.07051	0.6
154.04999	36.2
162.09158	1.7
166.05011	8.3
176.11511	0.5
180.06567	1.4
190.08633	0.5
190.13051	0.5
192.11075	0.8
194.08168	1.3
194.11761	4.8
204.10254	0.4
208.09700	0.7
212.05667	0.6
220.14151	1.8
222.11261	45.4
223.12050	0.6
223.59569	0.4
232.14172	0.7
236.05600	0.6
240.12444	2.2
268.11810	100.0
269.12149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.102
Annotation	Cardiobutanolide
Peak:m/z	Relative Intensity
53.03941	2.1
55.01870	5.0
55.05498	2.3
57.07069	1.0
61.59352	0.7
67.05503	7.1
68.99791	3.7
69.03430	38.7
69.07058	1.4
69.78979	1.8
69.79391	2.5
71.04999	0.9
72.04508	0.9
73.02911	2.0
76.32159	0.7
79.05489	12.0
81.03423	1.9
81.06588	1.4
81.07052	21.8
83.04498	1.1
83.04980	18.2
84.08145	0.7
85.02905	2.3
85.06543	1.3
87.04459	4.7
91.05481	7.2
93.07052	1.6
95.04972	14.1
97.02895	6.7
97.06528	1.1
98.20837	1.1
99.04458	1.0
105.07027	1.5
105.25642	0.8
107.04957	2.6
109.02846	1.1
109.06518	35.2
109.07275	1.7
111.04450	7.4
111.08092	1.2
113.06010	4.2
115.03954	3.7
117.07021	0.8
119.04939	3.7
119.08605	0.8
121.06481	2.8
123.04389	0.9
125.02338	1.3
125.05988	2.0
127.07581	1.6
133.06519	1.3
137.05977	100.0
139.07587	1.0
147.04396	1.1
153.05486	2.7
155.07028	12.0
159.08041	1.2
160.27505	0.8
161.05960	1.0
163.07619	1.2
177.09140	0.9
180.13797	1.0
187.07562	1.5
189.05424	0.8
191.07109	0.8
205.08598	1.3
223.11528	1.4
226.10771	1.0
226.91954	0.7
233.08110	1.9
251.09187	1.5
264.91882	0.8
266.72293	0.7
268.40033	0.7
269.09848	1.2
269.12396	3.7
269.18625	5.2
270.13153	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.34467	2.2
53.03943	4.9
55.05519	21.9
57.03442	35.7
57.07079	5.8
59.83440	2.2
62.32651	2.3
67.05511	77.3
69.07072	29.8
69.23217	22.9
71.04996	6.1
71.08639	2.6
79.05501	38.7
81.07063	100.0
83.04990	13.0
83.08619	17.6
85.06553	3.6
91.05491	25.6
93.07053	74.1
95.04966	4.1
95.08611	25.0
97.06554	12.7
97.10203	3.5
99.08112	4.5
101.59143	2.2
105.07040	7.9
107.08601	35.8
109.06573	5.2
109.10224	3.5
111.08088	8.3
116.56657	2.2
117.07045	8.9
119.08582	3.1
121.10163	24.8
123.11708	2.9
131.08560	8.0
133.10159	9.5
135.08023	2.6
135.11707	8.6
139.11209	3.5
149.13271	60.3
159.11687	18.1
177.12744	10.7
195.13797	16.7
226.06020	2.4
241.08688	3.0
269.08270	5.4
269.17499	64.2
269.22235	4.1
270.27896	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
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
53.03928	3.6
55.01885	2.4
55.05518	19.4
56.86033	1.2
57.03440	32.3
57.07056	3.5
57.97382	1.1
65.03931	2.5
67.05509	76.8
67.54388	1.2
69.03390	1.6
69.06750	2.2
69.07076	27.8
69.37702	7.4
69.38113	2.7
71.04989	6.1
71.08617	2.3
73.02892	1.4
79.05499	44.7
81.03392	2.8
81.07060	100.0
83.04984	10.7
83.08617	17.0
85.06555	7.0
85.34280	1.3
91.05489	31.9
93.07048	77.3
95.04971	7.7
95.08611	28.4
97.06541	18.0
97.10159	2.3
99.04469	1.3
99.08054	4.6
105.07042	12.3
107.07903	1.9
107.08601	35.8
109.06501	4.3
109.10125	4.8
111.08083	10.4
111.11709	1.3
113.05968	1.7
113.09605	1.6
117.07005	14.1
119.08556	2.8
121.06493	2.4
121.09348	1.6
121.10152	24.4
123.08091	1.8
123.11705	3.3
129.06914	1.9
131.07762	1.2
131.08582	16.0
133.10144	15.8
133.30217	1.2
135.08037	2.2
135.11719	14.1
139.11180	1.7
143.08565	1.5
147.11635	2.3
149.09569	5.4
149.13272	43.2
151.11168	1.5
157.10152	2.1
159.10500	2.3
159.11710	32.4
161.13232	2.6
171.08029	1.6
171.11601	1.9
173.68649	1.2
177.09077	2.0
177.11432	1.7
177.12752	17.3
179.14206	1.8
195.13828	20.8
197.05879	2.5
198.06741	1.7
199.14830	3.2
212.04651	1.4
213.14699	2.4
226.06139	3.4
227.06856	1.6
227.14294	3.7
234.18510	1.5
237.36896	1.5
241.08615	7.1
251.16302	2.0
255.06432	1.4
269.04694	1.4
269.08081	8.8
269.17377	89.0
269.22455	7.3
270.08713	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72009	1.7
53.03944	3.7
55.01855	3.9
55.05515	23.5
57.03439	24.4
57.07066	6.6
67.05508	74.3
69.07067	22.7
71.04968	7.0
79.05498	42.1
80.94817	1.9
81.03437	2.4
81.07057	100.0
83.04964	8.8
83.08621	20.5
85.06540	5.8
91.05486	26.1
93.07048	66.4
95.04967	6.2
95.08611	32.6
97.06545	19.3
97.10149	4.4
99.08066	4.0
105.04505	2.3
105.07042	13.7
107.08595	33.4
109.06496	4.9
109.10152	8.5
111.08137	9.8
117.07005	14.4
119.08569	5.5
121.10138	22.4
123.11697	5.3
131.08585	15.0
133.06474	10.3
133.10126	17.4
135.08032	2.2
135.11682	15.8
137.97018	2.0
145.06445	5.6
145.10199	2.7
147.11667	2.7
149.09641	2.2
149.13263	40.2
153.06966	2.3
157.06488	7.8
157.10060	2.1
159.08087	3.4
159.11696	33.5
163.11188	2.1
171.08046	4.9
171.11720	3.4
173.09547	2.4
173.13223	2.7
174.66130	2.0
175.11203	9.9
177.12766	14.2
179.14230	2.7
181.06479	6.0
185.09608	6.8
195.13766	14.6
197.05948	9.1
199.11169	10.8
201.12709	3.8
210.06802	3.3
213.12733	4.5
225.12650	2.7
226.06279	7.7
227.06920	4.1
227.14359	18.2
241.08623	19.0
251.20171	2.7
255.06473	3.9
264.34283	2.2
269.08072	22.1
269.11270	4.2
269.17319	42.1
269.19110	40.3
269.22784	4.8
269.25153	2.6
270.08838	4.9
281.44678	2.1
288.00458	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03924	2.0
55.01863	2.5
55.05516	19.1
57.03444	35.9
57.07053	4.2
61.94683	1.2
65.03923	2.5
67.05512	73.8
69.03420	1.4
69.07076	32.1
71.04987	7.3
71.08598	1.8
71.40945	1.8
72.92386	1.2
73.02931	1.2
79.05500	39.4
81.03436	1.5
81.07064	100.0
83.04984	10.6
83.08176	1.3
83.08627	19.9
85.06513	5.5
88.57746	1.3
91.05484	22.4
93.07054	69.8
95.04960	4.5
95.08622	29.7
97.06550	15.9
97.10146	3.2
99.04399	1.2
99.08081	5.7
105.07034	12.1
107.04955	1.6
107.08605	44.5
109.06510	4.1
109.10152	10.4
111.08091	10.8
113.05990	1.5
113.09621	1.6
117.07030	10.0
117.40989	1.1
119.08614	9.5
121.06448	2.7
121.09345	1.8
121.10158	27.7
123.11668	5.3
129.07018	2.3
131.08598	13.7
133.10150	11.3
135.08047	1.9
135.11703	13.9
139.11201	2.9
143.08537	3.2
144.09309	1.8
145.10074	5.7
147.11650	5.6
149.09528	2.4
149.13271	55.6
157.06412	1.8
157.10088	4.8
159.10478	2.0
159.11705	28.7
161.13254	2.4
167.14365	1.5
171.08090	2.7
171.11687	3.7
173.13240	3.5
175.11107	2.0
175.14758	2.2
176.40767	1.2
177.12743	12.5
185.13243	2.5
187.14787	2.4
189.21652	1.1
195.13806	18.0
199.02101	1.3
199.11136	1.8
199.14751	2.7
213.16403	3.5
227.06992	3.5
227.14284	2.6
227.17862	1.6
227.51074	1.2
241.08543	3.5
255.06444	2.5
269.08185	5.8
269.17432	66.1
269.22510	25.7
269.81458	1.3
270.08698	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	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01879	1.9
55.05271	1.7
55.05515	23.9
57.03439	27.5
57.07064	5.9
65.03928	2.7
67.05507	71.0
69.07069	37.7
71.03867	2.5
71.05003	7.8
71.08627	2.8
79.05496	40.8
81.03403	1.6
81.07056	100.0
83.04980	10.0
83.08629	17.2
84.41702	1.4
85.06528	5.6
85.10162	1.3
87.04433	1.4
91.05482	20.7
93.07044	65.6
93.89536	1.3
95.04930	5.7
95.08614	41.0
97.06522	13.7
97.10152	4.4
98.97588	1.2
99.08069	4.2
105.07040	21.6
107.08596	43.6
109.06503	4.8
109.10148	15.7
111.08076	8.8
113.05917	1.3
113.09563	1.6
116.98610	1.4
117.07016	7.8
119.08586	20.0
121.06561	1.8
121.09328	2.4
121.10139	30.4
123.08103	2.3
123.11710	9.2
125.09637	1.4
128.06192	2.0
129.07039	2.4
130.65092	1.2
131.08566	17.1
133.06436	1.6
133.10130	14.8
135.08063	2.6
135.11691	17.7
137.13297	1.8
139.11130	3.7
142.07773	1.5
143.08571	7.6
144.09361	2.1
145.10124	14.1
147.08087	2.7
147.11710	9.2
149.13266	49.4
155.08559	1.7
157.06465	1.9
157.10121	12.3
159.08031	1.6
159.10477	2.6
159.11702	34.3
161.13290	9.1
163.14842	1.8
167.14264	1.5
169.10217	1.6
171.08089	2.1
171.11722	8.4
173.13219	11.3
175.11150	1.8
175.14873	6.7
177.12782	9.6
181.06404	1.6
185.13258	8.0
187.14816	5.4
189.16399	2.0
195.13828	12.8
197.13242	1.3
198.06795	1.5
199.11249	2.5
199.14844	7.4
201.16302	2.0
205.19487	4.9
211.14726	1.6
212.04707	2.0
213.09248	1.6
213.16408	13.0
223.20612	2.3
226.06253	2.1
227.06973	5.3
227.18036	2.4
241.08568	5.9
241.19499	2.4
249.08859	3.3
255.06587	3.5
258.09323	2.0
269.08047	9.4
269.12619	2.5
269.17386	48.4
269.22607	75.3
270.08862	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.03389	0.9
53.03925	4.1
53.04140	0.9
55.01852	3.2
55.05512	21.2
56.35261	1.0
57.03438	37.8
57.07075	6.1
62.15484	1.0
65.03940	2.4
67.05505	78.9
67.75023	0.9
69.03405	2.2
69.07067	34.7
69.42838	2.2
69.43236	7.1
71.01358	1.4
71.04993	6.5
71.08638	1.9
79.05495	45.8
81.03394	2.5
81.07056	100.0
83.04983	11.8
83.08614	18.1
85.06535	6.3
91.05483	23.2
93.07046	81.1
95.04965	7.7
95.07984	1.6
95.08607	31.8
97.06525	14.3
97.10144	3.3
98.21460	2.4
98.97532	2.0
99.08104	5.1
101.98122	1.1
105.04495	2.0
105.07031	11.1
107.04963	1.2
107.08598	42.1
109.06490	3.2
109.10144	7.7
111.08078	10.2
111.11670	2.0
113.09612	1.9
117.07021	9.6
119.06039	1.2
119.08598	6.6
121.06454	2.9
121.10147	27.4
123.08054	2.1
123.11678	4.6
125.09644	1.6
125.40677	1.0
127.03760	1.0
129.06995	1.6
131.08569	12.8
133.10117	11.8
135.08020	2.7
135.11679	12.4
139.11125	3.0
142.07722	1.1
143.08546	2.0
145.10095	3.0
147.11656	3.9
149.09564	1.3
149.13260	59.6
157.06396	1.3
157.10097	2.8
159.11694	26.6
161.13219	2.5
165.12630	1.1
167.14322	1.7
171.11623	3.0
173.13246	2.3
175.14787	2.0
177.05495	1.3
177.12766	12.5
181.06444	2.0
185.13220	1.6
187.14801	1.3
195.13782	19.9
197.05933	1.8
198.06558	1.2
199.14803	1.1
213.16341	2.3
215.18025	1.4
226.06227	2.0
227.06992	2.0
227.17987	1.3
241.08571	6.4
269.08102	10.1
269.17407	62.5
269.22220	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	270.082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.3
56.96556	3.1
57.03425	2.8
59.05001	17.6
61.06938	2.3
65.95331	2.4
69.83831	13.1
73.06564	30.8
75.04503	11.6
85.02920	6.6
87.04472	22.1
88.83913	2.4
89.06057	4.8
91.07607	3.2
97.02885	3.0
98.97607	6.8
103.03930	9.8
109.06628	2.5
118.98085	2.3
123.08075	3.3
127.04005	2.5
131.03389	13.1
136.06216	5.6
158.99641	2.5
161.04477	36.3
172.05704	3.5
181.06302	3.6
217.03448	100.0
224.12955	5.3
227.07054	4.2
235.04474	30.1
255.06496	5.9
257.07281	2.6
261.08063	4.1
270.08533	6.2
270.13446	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	270.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38310	0.2
67.06273	0.2
70.52747	0.1
70.56661	0.3
70.57031	0.3
168.05779	0.2
184.05165	4.6
196.05188	0.3
199.07487	0.7
211.07593	1.0
212.04692	27.1
213.05414	0.2
225.05563	0.2
227.07030	75.5
228.07504	0.6
239.07053	0.7
240.04172	1.3
240.07787	0.6
242.08871	0.5
255.06526	54.4
256.07153	0.8
270.08862	100.0
271.09625	1.6
282.72281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22628	0.7
56.96565	43.7
57.03447	0.9
61.02922	1.5
69.03426	1.5
70.23880	2.3
71.62191	0.6
71.91007	0.6
71.95253	1.6
73.02905	1.9
74.97606	1.9
79.05493	32.4
80.05835	1.0
81.03421	0.8
81.07069	1.1
83.34945	0.7
84.96033	25.8
85.02892	4.5
86.09693	1.0
91.05473	4.2
95.08628	1.3
97.02892	3.3
98.20771	0.8
98.97585	100.0
99.04455	1.0
99.97881	0.9
101.00832	0.7
102.97086	1.4
105.07050	2.4
107.08601	19.9
108.08867	0.9
109.06507	7.4
110.97587	3.5
112.99134	2.0
115.00671	0.9
116.98624	25.7
119.01816	1.8
124.99124	4.1
127.00691	5.0
127.03922	1.5
128.98605	1.6
131.00160	1.4
131.90953	0.7
134.99664	3.7
137.05988	1.4
138.05504	2.8
139.00668	17.5
139.05829	4.1
140.00175	1.0
140.02321	1.5
140.98692	0.9
143.00172	2.7
145.01723	3.0
145.05028	1.1
147.98355	0.9
151.00623	1.1
153.02249	2.1
155.00114	1.3
155.03903	0.8
157.01732	30.0
158.99658	19.3
160.06572	0.7
163.00641	5.6
163.05188	3.9
164.56873	0.8
165.02243	1.2
165.06921	1.2
165.99420	2.7
168.03645	3.9
169.01753	2.8
169.05447	0.8
169.98906	0.7
170.99681	2.6
171.03346	3.5
171.04724	0.8
172.05685	42.7
172.55840	1.9
172.94380	1.7
173.01244	1.8
175.02786	9.1
177.00789	6.4
177.04150	4.1
181.01720	44.3
181.06197	20.5
182.03407	1.0
182.99609	1.5
183.03236	7.7
184.00449	0.8
187.02802	2.6
187.06400	0.8
189.00742	1.0
189.04427	2.0
190.06819	3.4
190.95461	1.0
191.03871	2.1
192.57019	1.2
193.01758	1.3
194.09245	2.5
194.99715	1.4
199.02783	66.7
201.00632	4.0
201.04425	4.9
203.02208	0.7
206.06984	1.9
211.02782	14.2
213.00835	0.9
213.04352	2.6
217.03844	8.8
217.07297	1.6
219.01756	5.0
225.00822	1.4
225.04306	5.7
229.03836	17.1
230.06981	10.0
231.05437	1.2
237.02850	1.3
241.03917	1.9
243.01891	1.4
243.05450	2.1
247.04869	1.7
248.08110	11.8
253.03902	2.5
253.08275	3.6
262.08893	16.1
262.59045	1.0
271.04898	13.7
271.09372	11.0
271.59586	1.0
279.03949	1.0
288.98959	1.1
289.05908	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	271.0967
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
52.08005	0.6
53.03946	0.8
53.12923	0.5
55.01880	3.5
55.05507	0.8
65.03932	0.9
67.05511	1.4
69.03434	0.7
69.07069	1.1
69.61156	1.7
69.61571	1.6
79.05483	1.8
81.03448	1.2
81.07057	3.5
83.04973	1.2
83.22886	0.6
85.06537	1.8
91.05491	9.9
93.07020	1.4
95.04990	3.4
95.08638	1.4
97.06564	1.2
98.09698	1.0
98.21471	1.3
105.07038	1.9
107.04955	2.3
107.08584	1.1
109.02884	1.0
109.06529	1.4
109.10154	1.4
111.04451	0.6
115.05469	1.7
117.03386	0.8
118.04150	1.1
119.04975	6.3
119.08585	0.7
121.06514	2.5
121.10090	0.7
122.03681	0.8
123.04430	1.3
125.06024	0.8
127.03989	0.6
127.05414	0.6
128.06200	1.1
129.07004	2.1
131.08551	1.3
133.06499	0.7
133.10150	0.9
134.03622	1.3
135.04411	0.9
136.49464	0.5
137.05977	4.8
139.07570	0.5
141.06990	5.4
142.07771	0.6
143.08554	0.9
147.04414	1.3
149.05974	1.6
150.06816	1.2
152.06215	3.9
153.07007	18.9
154.07744	2.5
155.08563	10.6
157.06500	2.5
157.10165	1.9
159.08054	0.8
159.11703	0.9
165.07019	48.5
167.08557	1.3
167.10815	0.7
168.05737	7.4
168.09375	0.8
169.06532	4.0
169.10117	2.6
170.07300	2.0
171.08058	0.7
171.11682	0.9
173.13287	1.0
178.07567	0.7
179.08557	0.9
181.06493	12.1
181.10129	1.2
182.07292	3.8
183.08067	23.7
183.11618	1.5
185.05956	3.4
185.09669	0.6
187.07541	0.7
193.06331	7.7
194.07243	0.9
195.08034	1.3
195.11778	1.1
196.05237	8.5
196.08899	0.6
197.05994	5.7
197.09634	1.6
197.13202	1.3
198.06660	1.7
198.14873	0.7
199.07581	1.9
200.08334	3.5
201.09111	0.7
207.04398	2.5
209.05952	1.3
210.06827	3.1
211.07562	33.9
211.10846	0.9
211.14832	0.7
212.04668	0.6
212.08301	3.9
213.05394	3.9
213.09134	2.0
215.10725	1.0
221.05959	8.3
225.05566	1.4
225.09090	2.3
225.16446	1.8
226.14493	2.7
227.07031	2.4
228.07578	8.5
236.52657	0.6
239.07042	10.1
240.07793	5.9
241.08685	0.7
242.09314	2.7
243.10135	3.9
253.08653	1.5
253.15884	0.7
256.07086	8.0
271.09634	100.0
271.16840	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	271.1443
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
54.10779	0.8
55.05507	1.6
67.05491	3.2
68.24461	0.7
68.98038	0.9
69.07059	2.5
69.43244	1.9
69.43666	3.4
79.05486	2.7
81.05797	1.1
81.07051	3.9
83.05020	0.8
85.06538	0.8
91.05495	2.1
93.07017	2.3
95.08612	2.6
96.08117	3.0
98.21616	0.9
105.07024	2.1
106.06530	1.9
107.08620	1.5
107.48414	0.7
108.08128	7.6
109.10144	1.8
119.08566	2.7
121.10099	0.9
122.09665	0.9
123.11768	1.0
125.45450	0.8
131.08580	0.9
133.10159	2.2
134.05940	0.9
135.11710	0.9
136.07588	1.2
145.10168	1.5
147.11639	1.3
148.07573	1.6
154.06590	1.1
157.10115	1.5
159.11688	1.3
161.13257	1.5
168.05759	1.2
168.08096	4.8
169.08820	4.2
169.10181	0.9
170.09653	0.8
174.09114	1.3
175.14845	1.1
181.10065	1.4
182.09663	2.4
183.10449	6.8
183.11862	1.1
184.09834	0.9
186.11488	1.2
196.05203	3.2
196.07501	4.0
197.06100	1.1
197.08360	6.7
198.09177	1.3
198.12819	7.7
199.08664	5.1
199.12334	0.8
208.11162	1.3
210.09145	1.4
211.07555	9.4
211.09927	11.0
212.04764	0.8
212.09555	1.2
213.05385	2.4
213.10283	11.5
213.16461	0.8
214.11125	4.0
215.15483	2.7
225.14008	1.1
226.12294	27.2
227.06975	1.3
227.11786	19.3
228.07506	5.6
228.12584	22.2
239.07034	5.9
240.07713	4.7
241.09805	1.2
242.10562	1.8
243.14957	19.8
253.13461	3.9
254.11757	1.5
255.11293	23.4
256.07248	6.5
256.12067	28.4
271.06100	7.5
271.09555	25.4
271.14410	100.0
271.24094	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	271.1694
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
55.01867	3.7
55.05506	9.9
57.07060	5.5
61.62839	3.6
67.05489	15.5
69.07057	5.3
71.03039	8.6
71.04989	15.3
79.05514	18.5
81.07065	29.6
83.04956	4.4
85.06522	3.7
91.05499	26.7
93.07039	34.8
95.04947	6.0
95.08623	27.0
99.04505	3.5
105.07043	49.1
107.08604	21.7
109.06528	85.6
109.10178	7.6
111.08089	7.7
117.07027	10.0
119.08592	25.8
121.06471	6.2
121.10161	4.1
123.11649	4.5
128.06200	7.9
129.07008	14.8
131.08586	22.8
133.06496	4.0
133.10181	7.2
135.08076	50.0
137.09627	15.4
137.57343	3.4
141.07042	4.0
142.07803	10.1
143.08585	27.8
145.10150	24.7
147.08070	9.5
149.09619	16.8
153.06992	5.2
154.07791	6.4
155.08606	19.2
156.09328	11.0
157.10127	16.1
159.08038	6.3
159.11667	11.4
165.07022	13.5
167.08621	5.3
168.05745	4.7
168.09384	6.5
169.10109	21.8
170.10968	3.9
171.11679	40.5
173.09644	7.4
173.17279	3.5
179.08536	6.1
180.09389	15.1
181.10109	4.3
183.08098	4.8
183.11679	13.1
185.13228	7.9
187.11212	8.7
187.14891	5.2
194.10977	4.0
195.11703	52.0
196.05186	12.6
196.12508	9.0
197.05994	6.3
201.12753	8.6
209.13217	5.4
210.14011	4.7
211.07582	33.0
211.14809	24.5
213.05334	11.9
213.12770	49.9
220.12404	6.3
223.78514	3.6
225.05629	5.2
227.07040	4.8
228.07410	19.3
229.15891	11.2
238.13614	3.6
239.07036	18.2
240.05730	4.1
240.07768	21.5
253.15848	13.4
256.07114	23.0
271.06046	31.4
271.09540	100.0
271.16940	43.9
271.20496	7.5
271.24310	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	271.206
Annotation	Salvirecognine
Peak:m/z	Relative Intensity
55.05518	6.2
57.07047	0.5
58.00832	0.4
63.55261	0.4
67.05489	1.5
67.29714	0.4
69.07077	2.1
71.52249	0.5
74.29086	0.4
79.05488	1.0
81.07070	2.2
83.08627	2.9
84.28269	0.4
86.00686	0.5
91.05460	1.7
93.07048	0.7
95.08619	2.6
97.10183	6.6
105.07053	3.4
107.04934	1.2
107.08615	0.8
109.10159	1.6
115.05466	0.7
119.08584	1.3
121.06544	0.7
121.10157	0.9
123.11717	0.4
129.06981	1.0
131.04906	0.4
131.08548	0.9
133.06505	49.9
133.10135	1.0
135.08144	0.4
141.07091	0.6
143.06036	1.6
143.08539	0.5
145.06516	2.7
145.10150	1.1
147.08046	5.5
147.11720	0.5
149.09624	2.9
153.01842	0.4
159.08089	3.7
159.11688	0.7
161.05823	0.4
161.09628	1.6
161.13293	0.8
163.11192	1.4
165.06996	0.6
168.05673	0.8
173.09622	2.3
173.13252	0.6
175.11197	100.0
181.06587	0.5
183.08081	0.7
183.11797	0.9
185.05971	0.6
187.11192	2.1
187.14900	0.4
189.12761	7.3
196.05223	1.8
197.06007	1.0
201.12769	5.0
201.16551	0.5
203.14310	0.9
211.07573	7.6
211.14824	0.8
213.05334	2.1
215.14352	1.6
215.17854	0.5
227.07027	1.3
228.07436	4.2
229.15894	6.2
239.06998	3.1
240.07884	3.5
255.11295	0.5
256.07098	3.8
271.06082	2.6
271.09528	17.5
271.14389	1.0
271.17450	0.7
271.20605	21.8
271.24118	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79103	0.8
55.01882	0.9
55.05514	1.9
56.96571	100.0
57.03425	3.1
61.02934	5.7
61.26767	0.7
65.22192	0.8
69.03437	4.9
70.06586	1.2
70.98146	1.2
71.04978	1.4
71.51093	1.2
71.95270	1.3
72.96031	1.1
73.02911	5.9
74.97612	14.7
79.05499	3.0
79.57481	0.8
81.03419	2.5
81.07049	1.8
84.96030	5.2
85.02913	13.8
86.03254	0.8
86.97603	14.2
87.04462	0.9
91.05495	1.0
95.08584	0.9
97.02898	7.7
98.97594	20.7
99.04458	1.1
99.91424	0.9
100.99121	1.0
101.00813	1.2
102.01040	0.9
103.00658	1.1
104.98680	1.3
105.07041	1.0
107.08636	1.5
108.01496	1.0
110.01270	1.5
110.97565	3.0
112.99126	1.8
114.97060	12.4
115.00710	1.6
115.02336	0.8
115.55532	0.8
116.01273	0.9
116.98614	4.4
119.01810	3.2
121.01638	1.6
124.99133	8.6
126.97078	1.0
127.00719	1.7
127.03946	4.7
128.02318	2.2
128.98615	2.5
129.02264	26.2
131.00226	1.1
131.01857	1.1
132.98112	31.9
133.01704	1.0
134.99683	1.0
137.05952	2.9
138.02583	1.0
140.02290	1.0
140.98598	1.7
143.00180	11.1
143.01819	1.5
144.98106	2.3
145.01695	1.1
145.03526	1.5
145.04936	2.4
146.02356	1.7
146.99664	1.1
147.03302	33.3
150.99162	33.4
152.02299	0.9
155.02821	2.4
157.01617	0.9
158.99667	7.6
159.03267	1.7
160.04800	1.2
161.01222	7.0
161.02800	2.2
162.99118	1.0
163.03880	1.8
165.04393	6.9
169.00220	6.5
169.04391	3.6
170.03481	1.3
170.04869	0.9
170.99649	2.3
172.05772	1.8
172.55919	2.6
173.01250	2.0
173.02827	1.7
174.00700	1.1
175.02780	1.1
177.00720	2.5
177.04298	1.0
178.04910	3.1
181.56476	0.9
182.03343	3.9
182.05054	1.6
182.99545	1.3
186.99110	1.5
187.02780	1.3
189.00751	1.6
189.02478	1.0
189.04257	1.4
190.56673	0.9
191.02255	4.2
191.03914	8.1
191.05724	3.6
191.54112	0.9
192.05626	0.9
200.04491	5.8
201.00682	1.7
203.02306	1.5
205.00218	3.0
205.03880	5.7
209.03320	2.1
209.05055	1.3
219.01822	4.5
223.01343	2.4
223.04836	1.6
231.01703	4.3
235.04837	1.4
237.02856	3.1
242.05460	1.2
248.99107	2.8
249.02835	22.8
261.02808	1.2
263.06116	2.1
267.00238	2.3
267.03885	7.4
271.59555	1.2
272.06586	4.8
272.09195	1.2
279.03903	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22876	0.4
55.01859	1.4
56.96568	100.0
61.78306	0.4
67.05497	1.3
70.06580	0.8
70.18711	1.0
70.19103	1.5
70.98107	1.3
71.95256	1.4
72.96046	1.1
73.02918	0.7
74.97609	16.2
79.05494	3.0
81.07068	2.4
84.96027	1.4
85.02895	0.8
86.97086	1.1
86.97605	17.7
91.05483	1.6
92.98663	0.9
93.07029	0.9
95.04969	1.2
95.08582	1.0
97.02885	0.8
97.99208	0.9
98.97591	3.8
104.98616	0.9
105.07026	1.1
107.08611	1.0
108.96613	0.4
109.06497	1.9
110.07175	1.4
110.97517	0.5
111.01268	0.5
111.08005	0.5
114.97060	16.8
116.98583	0.8
121.06521	0.7
122.06815	0.5
123.08049	0.9
124.03932	3.7
124.99068	0.7
127.00674	1.9
129.02249	32.2
132.98102	37.0
137.05963	6.0
138.06291	0.6
139.07523	4.2
143.00163	0.9
145.01721	1.4
147.03294	42.2
150.99152	41.4
155.00146	1.2
158.80617	0.5
158.99652	1.1
159.03258	1.1
161.01176	0.9
163.02776	0.9
165.04364	7.1
168.98950	0.8
169.00224	7.9
170.04898	0.9
171.04898	0.6
172.05695	0.7
173.01208	0.9
177.04347	0.7
180.05391	1.5
181.56331	0.5
185.04823	1.0
187.02789	1.2
189.05936	1.6
191.02303	3.8
194.05237	0.9
195.03398	0.5
200.04396	0.6
203.02283	1.0
203.05745	2.8
205.03856	5.8
209.03362	2.2
212.06233	0.8
213.04410	1.3
215.05940	0.7
221.03265	0.9
223.04741	2.2
231.01799	3.2
231.05318	2.0
233.07202	0.5
249.02849	23.6
267.03900	9.0
272.04483	0.6
272.10135	0.7
272.16125	0.6
273.06607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36120	0.6
56.96568	29.8
57.03431	0.6
57.24816	0.5
61.02917	1.3
65.76926	0.6
69.03437	1.1
69.98744	3.2
71.95261	1.8
73.02928	0.7
79.05492	2.0
81.07026	0.7
84.96040	2.5
85.02902	2.1
93.74621	0.6
97.02883	1.0
98.96943	1.5
98.97589	25.2
107.08604	1.5
109.05264	0.6
109.06515	2.0
110.97594	1.4
112.99139	85.6
115.00682	0.7
116.95140	0.6
116.98622	6.6
117.26205	0.6
120.02532	0.6
121.06554	0.6
124.99136	9.0
125.35962	0.6
127.00703	0.8
128.98582	0.9
129.02306	1.1
131.00180	26.0
134.99623	1.3
136.06200	0.7
137.05981	2.3
139.00670	4.1
141.02251	1.9
143.00182	9.8
143.01901	0.9
145.01707	1.6
149.01233	5.0
154.03845	0.8
154.96574	0.7
155.01843	0.8
157.01755	4.6
158.99712	2.6
159.03284	0.7
161.01245	4.8
165.02274	4.6
169.01772	0.9
171.03342	1.2
172.05722	1.6
173.01245	1.4
174.05444	1.0
175.02797	1.8
177.00737	1.3
181.01692	0.9
181.06212	0.8
183.03288	54.6
187.02870	1.2
195.03293	1.7
196.04977	2.0
201.04358	100.0
211.02721	1.0
213.04346	5.3
219.05414	18.8
224.06047	0.7
230.98132	1.5
231.05371	3.3
243.05428	26.7
243.07918	1.4
248.99127	3.0
255.05429	6.4
261.06479	6.6
263.06180	0.9
273.06464	19.7
273.09290	1.9
291.07538	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	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.02383	1.7
51.99961	1.9
55.05517	16.9
57.07069	6.2
62.97317	1.9
67.05187	2.3
67.05511	25.6
69.06732	2.8
69.07073	37.0
69.98666	7.3
79.05498	14.9
81.06596	3.8
81.07062	75.5
83.08614	15.9
91.05486	11.5
93.07053	42.4
95.08614	82.8
97.10176	10.9
105.07043	21.9
107.08602	52.5
109.10165	59.5
111.11732	5.5
114.49397	1.7
119.08588	25.1
121.10144	49.1
123.11713	46.8
131.08588	1.7
133.10143	18.2
135.11690	30.4
137.13295	12.0
147.11703	18.7
149.13268	51.3
151.14828	7.8
161.13251	30.4
163.14830	23.9
165.16447	2.7
166.01480	1.6
175.14818	14.9
177.16377	18.1
189.16359	19.6
191.17928	13.0
203.17953	15.4
217.19534	32.0
231.21028	2.9
273.16751	2.8
273.25793	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	274.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74250	0.2
53.87798	0.2
54.98641	0.3
56.96566	7.4
69.52319	1.4
69.53879	0.2
70.95894	0.2
71.95264	2.8
98.97585	100.0
104.82287	0.2
112.92268	0.3
116.98622	32.6
119.01958	0.3
130.93294	1.0
134.99652	5.4
140.00140	0.9
153.00761	0.3
154.93352	0.4
157.03494	0.2
158.01201	0.3
161.02904	0.3
172.94360	5.4
190.95401	2.0
197.95227	0.2
208.96477	0.8
214.95381	3.4
224.11693	0.2
232.96449	5.1
232.98650	0.4
234.99818	0.3
241.94203	0.2
250.97464	1.2
256.96432	15.3
274.97504	73.8
275.97995	0.3
292.98557	28.5
297.99036	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98647	0.5
56.96571	18.8
57.03439	0.4
60.95842	0.4
61.02919	0.5
69.03418	1.2
69.89990	0.3
70.98129	10.0
71.51136	0.5
71.95268	3.1
73.02919	0.6
79.05502	1.2
81.03416	0.4
81.07053	0.9
84.08137	0.4
84.96046	0.7
85.02917	1.8
88.89489	0.3
88.99181	1.9
91.05487	0.9
93.07052	0.5
95.06104	1.0
95.08608	0.4
97.02896	1.2
97.06586	0.4
98.97593	100.0
99.04394	0.3
101.00867	0.7
102.96883	0.8
107.08606	0.7
109.06512	0.8
110.06924	0.5
110.97576	4.1
112.99136	1.4
113.07132	3.2
116.98631	29.3
119.01931	0.5
120.97845	0.3
121.06512	1.1
123.08058	0.4
124.95512	0.6
124.99086	0.7
125.07110	0.6
127.03962	0.4
128.49580	0.3
128.98615	4.0
130.93347	0.9
131.00185	0.5
134.99673	5.1
137.05983	2.0
139.07477	0.6
140.00125	0.5
141.02271	0.4
143.00146	0.7
145.03499	0.5
146.99614	2.4
147.03142	0.6
154.96535	3.6
156.98041	0.4
157.01755	0.7
157.03528	0.4
158.99655	2.2
159.03337	1.3
161.01096	0.4
165.00642	0.6
165.57419	0.4
170.03404	0.6
170.05280	0.5
170.96056	1.1
172.94398	4.2
172.97604	12.2
174.99152	0.5
177.00749	1.2
177.04243	0.7
179.04660	0.8
183.03236	0.5
185.04893	0.9
186.99162	1.0
187.02795	0.7
187.04498	1.0
188.05202	4.7
188.97092	0.9
189.06047	1.1
190.95457	1.8
190.98636	8.0
196.05113	0.4
197.05820	3.3
197.55997	0.4
198.06464	0.5
200.97137	1.4
201.00670	0.5
201.04378	1.0
202.98761	0.6
203.02211	0.7
203.04001	0.6
203.06099	0.4
205.00255	1.4
208.99731	1.0
214.95442	3.5
214.98599	2.2
215.05867	0.6
218.98135	1.7
219.01820	1.3
219.05299	0.4
220.99710	0.9
232.96494	3.9
232.99733	9.8
233.06992	0.8
236.99153	0.5
237.02888	1.0
250.97563	1.1
251.00778	5.6
251.04596	0.5
256.96466	15.6
257.06915	2.7
266.09048	0.5
274.97534	61.1
275.07626	3.2
275.12479	0.7
288.07193	0.4
292.98584	21.5
297.99081	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96342	0.4
55.72856	0.4
56.96567	33.5
57.03443	0.5
60.95845	0.4
61.02919	0.8
62.64278	0.4
69.03428	1.3
70.14512	1.6
70.98124	25.6
71.95261	3.7
72.08123	0.4
73.02926	1.0
79.05500	1.2
81.03414	0.5
81.07058	1.6
84.08157	1.0
84.96035	1.6
85.02904	2.2
88.99152	6.0
91.05476	1.3
96.32059	0.4
97.02884	1.1
98.97587	100.0
101.00886	1.4
102.96924	0.4
109.06537	1.4
110.01286	0.4
110.97560	3.8
112.99118	0.7
113.07141	2.1
116.98626	29.7
119.01893	1.6
119.04997	1.0
121.06521	0.6
122.80428	0.4
124.95480	0.5
124.99097	0.5
125.07127	0.6
127.03913	0.5
128.02388	0.5
128.98611	7.2
130.93309	0.4
131.00255	0.5
131.01866	0.4
134.99655	4.5
137.05986	5.9
140.00227	0.6
140.98607	0.4
143.00233	0.6
144.98062	0.6
146.99667	7.8
150.26791	0.3
154.96519	11.6
158.99666	2.6
159.03221	0.5
161.02972	0.7
161.04703	0.8
164.07077	0.5
165.00706	3.2
165.05536	0.5
169.03363	0.5
170.03363	1.3
170.05190	0.9
170.95995	0.5
170.99597	0.6
172.94417	3.4
172.97592	30.6
174.99174	0.9
177.00772	1.1
177.02367	0.5
178.03825	0.8
183.05237	0.5
185.04852	1.0
186.99194	1.8
187.04416	2.8
187.54547	1.4
188.97078	0.7
189.00714	0.5
190.95427	2.0
190.98636	26.5
193.00232	0.6
196.04942	0.8
197.01270	0.6
200.97104	3.8
202.98711	0.7
205.00201	5.1
205.03642	0.4
208.99716	2.7
211.02904	0.5
213.00760	0.4
214.95395	2.8
214.98625	5.6
217.02016	0.5
218.98123	9.6
219.01755	1.4
220.99751	0.8
223.01183	2.4
229.03853	0.5
232.96474	3.2
232.99693	25.5
236.99174	2.3
237.02731	0.7
239.06010	0.5
250.97990	0.8
251.00748	9.7
251.04448	1.0
256.96442	13.7
257.07019	4.9
269.01791	0.7
274.97513	58.2
275.08310	3.5
275.10803	0.6
292.98563	20.2
293.07098	0.5
297.99014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0375
Annotation	9-phenanthryl hydrogen sulfate
Peak:m/z	Relative Intensity
53.03947	2.7
55.01855	4.7
55.05487	5.3
56.96572	16.3
57.03428	4.4
61.02915	3.4
62.37381	2.4
63.20088	2.4
67.05494	4.2
69.03411	9.7
69.38914	13.1
69.39321	5.6
70.06599	23.0
71.04995	4.4
71.95266	2.9
72.08143	10.2
73.02915	5.2
79.05486	7.4
81.03389	3.9
81.04530	4.1
81.07050	9.9
83.04949	3.8
84.04506	9.3
84.08131	11.5
84.96045	3.7
85.02912	14.9
86.09691	11.3
91.05473	10.2
93.07047	4.5
93.56616	2.7
95.04973	4.3
95.06092	13.1
97.02867	7.4
98.97602	16.6
99.04476	3.3
105.03365	2.4
105.07010	2.7
107.04952	5.4
107.08634	4.3
109.02885	5.1
109.06508	7.9
110.97575	3.4
111.05532	3.8
112.07597	2.9
112.08685	3.5
112.11246	6.1
113.06036	2.5
113.07130	11.6
114.05488	2.9
115.05454	3.9
116.98623	8.1
118.06571	6.2
119.04927	6.7
119.07298	3.1
121.06450	7.1
123.05515	4.1
123.08045	3.9
124.02812	3.1
125.07114	8.8
129.06973	5.0
135.04402	4.6
137.05055	2.7
137.06007	33.6
138.06230	3.1
139.02153	2.5
140.08107	3.9
141.07001	13.0
143.00188	3.8
143.03180	5.3
144.05696	2.7
147.04446	6.7
149.05988	5.3
155.07094	3.6
155.08492	2.4
157.06509	6.1
157.13332	2.9
158.99648	5.0
160.05122	3.6
163.03966	14.8
164.04187	7.8
164.07098	35.0
167.07085	2.8
169.06494	8.7
171.04407	4.6
177.00714	4.9
177.05458	3.8
185.05984	5.4
186.03584	3.1
186.06723	4.1
187.07521	6.6
187.61290	6.1
189.00656	4.4
189.05443	6.1
191.06998	4.2
197.05974	7.1
200.04591	4.4
201.05540	3.6
201.09116	5.1
208.31610	2.7
210.61511	3.3
211.02666	7.2
213.05409	3.1
215.01678	5.6
215.07172	12.6
219.01671	2.8
225.11043	4.4
229.03801	9.0
229.08578	8.6
231.06636	5.7
242.05914	3.5
243.06526	4.8
245.04533	3.4
245.07945	5.2
247.09515	3.5
252.13489	3.0
255.07030	6.2
257.02716	99.0
257.08344	7.1
257.14944	3.7
260.06671	12.9
264.07425	5.5
274.27347	7.9
274.64584	14.8
275.03723	100.0
275.11313	92.8
275.13873	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	275.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00587	0.4
56.96561	2.1
58.99854	0.7
61.02906	1.3
65.27949	0.4
67.05494	1.4
69.03416	1.2
69.38304	0.4
69.87881	0.4
70.53481	0.4
70.99847	1.2
71.51452	0.5
73.02905	1.0
77.00882	0.8
81.03399	0.5
82.99831	4.0
83.04967	1.3
85.01440	0.6
85.02890	1.2
86.99305	0.5
89.00871	1.2
91.03933	0.6
93.03404	0.9
94.72551	0.4
95.04980	2.1
97.01383	0.7
97.02882	1.2
98.97589	12.0
101.00886	30.6
103.02447	0.7
109.01386	1.9
110.97548	0.8
111.02995	0.6
111.04445	1.1
113.00870	1.9
115.02436	1.2
116.98625	3.6
119.01926	33.4
119.48658	0.4
121.02872	3.3
124.99160	0.5
125.04493	1.0
127.02420	13.2
129.00342	0.4
129.03981	0.9
131.01888	1.7
133.03500	0.9
134.99631	0.6
137.02946	3.6
139.02397	3.0
139.03928	0.7
141.03955	0.9
142.03568	0.5
143.00136	0.7
143.01898	5.4
143.05489	0.7
145.03467	24.3
147.01398	0.6
149.02954	0.6
151.02422	1.6
153.03958	2.8
155.01894	1.0
156.02719	0.5
157.03481	9.1
158.99669	0.7
159.05025	2.8
161.02948	4.5
163.04489	1.2
167.01863	2.8
169.03470	36.2
171.01410	1.9
171.05014	5.7
172.94370	0.6
173.02937	1.2
175.04509	1.2
176.97406	0.5
179.01927	1.6
183.04951	0.6
185.02963	15.7
185.06627	1.4
187.04524	38.9
189.02516	2.0
189.04080	0.4
193.03510	0.9
195.05008	3.1
197.02969	7.7
203.02165	0.7
203.03978	6.8
203.52884	1.1
204.02077	0.5
205.05582	3.2
210.06107	0.6
211.04568	2.9
212.04465	0.6
212.68179	0.5
213.02446	1.9
213.06094	1.8
215.00423	0.7
215.03996	8.0
221.02969	2.3
221.05096	6.6
224.04512	0.6
229.05582	26.5
231.03499	2.2
232.96387	0.6
233.05104	0.4
237.02840	0.6
239.03893	1.4
239.06146	4.2
241.04802	0.7
247.06636	11.1
249.04611	0.6
256.96484	1.6
257.05072	2.0
266.06268	0.5
274.97778	5.6
275.06125	100.0
276.06210	1.0
292.98517	2.2
293.07138	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03936	2.1
55.01865	2.1
55.05269	0.9
55.05516	10.8
56.49983	0.6
57.03439	3.7
57.07080	0.8
66.75293	0.7
67.05509	18.4
69.07078	9.4
69.35442	5.8
71.04992	2.0
77.03899	0.7
79.05503	19.9
79.05971	1.1
80.00103	0.7
81.06597	1.3
81.07064	23.5
83.04971	2.1
83.08648	4.0
84.14201	0.6
85.06535	1.4
91.05488	29.1
93.06482	1.4
93.07054	19.7
95.04962	2.2
95.08617	13.3
97.06541	1.5
97.10207	1.4
105.07043	41.1
107.04962	5.4
107.08600	13.8
109.06526	6.4
109.10177	5.3
111.08079	2.4
114.52783	0.6
116.14198	0.7
117.07029	7.2
119.08593	29.3
121.06504	4.0
121.10169	7.6
123.08072	5.0
123.11691	2.1
125.09671	1.7
129.06969	2.6
131.08586	13.1
133.06528	1.1
133.10144	30.0
135.08083	4.9
135.11699	5.5
137.09613	3.6
141.06920	0.9
143.08566	3.0
145.10135	10.2
147.08087	1.5
147.11713	14.3
149.09680	5.4
149.13181	0.9
151.07523	0.7
151.11195	1.5
155.08577	1.5
157.10124	3.8
159.08057	0.9
159.11714	9.3
161.09608	1.3
161.13278	5.1
163.11191	3.1
163.14786	1.0
165.12793	1.0
169.10133	2.5
171.11707	2.1
173.09547	1.0
173.13254	6.1
175.11168	2.2
175.14822	2.1
177.12770	1.3
183.11731	2.7
185.13246	2.3
187.11166	1.4
187.14912	1.5
190.64844	0.7
191.14285	1.1
197.13243	3.6
199.14766	0.9
201.12782	1.5
201.16507	1.8
203.14314	1.9
209.15492	0.7
215.14400	1.5
215.18016	1.0
216.27545	0.7
219.17480	1.2
225.58980	0.7
229.19548	2.5
233.15561	0.7
239.17996	5.2
247.20558	3.7
257.19022	8.2
262.49185	0.7
272.61520	0.6
275.20081	100.0
275.27734	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	275.2008
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03947	0.7
55.01875	0.7
55.05277	0.8
55.05515	10.2
57.07061	1.4
65.03927	1.4
67.05507	13.1
67.13047	0.6
69.03436	0.7
69.07069	8.6
69.90588	2.4
70.06580	1.4
71.04988	1.8
73.06540	0.6
79.05497	12.3
81.06584	1.0
81.07056	13.2
81.76013	0.6
83.04984	0.9
83.08624	5.0
84.01128	0.6
85.06535	0.7
88.07622	2.6
91.05487	35.2
93.07044	12.4
95.04945	1.5
95.08614	9.3
95.52924	0.6
97.06525	1.4
97.10154	1.4
98.21558	0.8
102.09175	0.9
103.05450	1.0
105.07036	53.8
106.08691	1.2
107.04960	1.6
107.08587	10.1
109.06533	1.4
109.10184	5.1
111.08057	1.4
111.99959	1.5
115.05476	1.1
116.06221	0.7
117.07030	7.5
118.07821	0.7
119.08590	28.3
121.00471	1.2
121.06501	1.9
121.10193	4.6
122.35246	0.6
123.08055	1.6
123.11709	1.2
128.06233	1.0
129.06972	1.7
131.08578	12.2
132.15962	0.6
133.06659	0.6
133.10141	38.0
135.08069	2.1
135.11691	2.6
137.09610	1.0
141.07002	0.9
143.01790	0.8
143.08537	2.0
145.10132	14.7
146.10852	0.6
147.11682	20.4
149.09650	4.7
149.13174	0.8
155.08534	1.1
157.10101	2.4
159.11687	7.0
161.09654	1.3
161.13297	4.3
163.11110	1.6
167.99675	1.4
169.10109	1.2
171.11691	2.7
173.13261	3.7
175.11241	0.9
175.14784	0.8
177.00220	0.7
177.12701	0.9
183.11667	2.1
185.13293	1.1
187.11230	0.8
193.12257	0.9
193.89017	0.6
197.13213	2.0
201.12775	0.8
208.02191	1.1
211.14706	0.7
217.02657	1.3
219.13828	0.9
229.15944	0.9
233.15511	1.1
239.18018	3.7
247.20448	0.7
252.04707	2.8
257.19031	8.6
257.26663	0.8
261.05072	0.7
275.20074	100.0
275.27750	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03937	2.0
55.01883	1.1
55.05273	1.0
55.05511	10.2
57.03450	3.4
57.07063	1.6
67.05193	1.1
67.05510	17.7
69.03419	0.8
69.07072	9.0
71.04989	1.7
71.25526	1.5
76.45200	0.6
79.05496	18.3
81.06602	1.3
81.07062	24.5
83.04977	1.6
83.08631	3.9
85.06546	1.0
87.41830	0.7
91.05488	29.3
92.70153	0.7
93.07043	16.4
95.04950	1.8
95.08614	14.3
95.09206	0.5
97.06512	1.9
97.10179	1.1
103.05473	0.9
105.07037	41.8
107.04945	4.8
107.08600	12.7
109.06530	5.7
109.10163	5.1
111.08052	2.0
117.07032	7.9
119.08591	29.8
121.06483	2.7
121.10155	6.6
123.08083	5.7
123.11712	2.0
129.06981	3.1
131.08574	12.5
133.10136	33.9
135.08058	4.3
135.11705	5.4
137.09572	2.3
139.11220	0.9
141.06960	1.3
143.08559	2.9
145.06438	0.7
145.10127	10.6
147.08076	1.4
147.11690	13.7
149.09637	5.9
149.13271	1.7
151.11136	2.4
153.61023	0.6
155.08522	1.0
157.10152	3.4
159.11655	6.1
161.09644	1.9
161.13226	3.5
163.11189	4.1
165.12769	0.9
169.10162	1.6
171.11682	1.8
173.13266	3.3
175.11197	1.9
175.14786	1.0
177.12706	1.4
179.10643	0.7
183.11685	2.2
185.13263	2.6
187.11250	0.9
191.14273	1.2
197.13263	2.7
201.12820	1.3
201.16335	1.2
203.14337	1.3
213.16415	0.9
215.14258	0.9
215.17957	1.6
219.13792	0.9
219.17314	0.9
229.19389	3.5
237.76369	0.6
239.17941	3.9
247.20544	3.7
257.19040	9.0
257.26617	1.3
275.20078	100.0
275.27762	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03930	1.4
55.01873	3.0
55.05514	15.3
57.03437	1.0
57.07085	3.0
65.03932	1.0
67.05507	19.5
69.03423	0.8
69.07071	15.8
71.04978	1.7
71.08626	1.5
71.52001	0.9
73.06552	0.7
76.10932	0.4
76.90392	0.4
77.03904	0.8
79.05499	20.0
80.25243	0.4
80.51785	0.5
81.03394	0.7
81.07061	33.5
83.04982	1.9
83.08625	7.3
85.06538	1.3
85.10166	0.8
91.05485	30.4
93.07049	25.5
93.07647	1.0
95.04998	3.2
95.08611	25.3
96.14878	0.5
97.06544	3.1
97.10188	3.9
98.97565	1.1
103.05498	1.3
105.07035	41.9
106.75450	0.4
107.04943	3.2
107.08602	22.8
109.06546	3.6
109.10163	14.1
111.08070	1.0
111.11742	1.4
116.06181	0.5
117.07027	9.7
119.08590	27.7
121.06503	3.3
121.10160	12.7
123.04432	0.8
123.08097	2.7
123.11707	7.0
125.09642	1.0
128.06165	0.6
129.07004	2.2
129.46504	0.5
130.07777	0.6
131.08572	11.2
133.06488	1.4
133.10136	31.2
135.08076	2.7
135.11702	8.9
137.06012	0.5
137.09616	2.0
137.13255	2.6
141.06956	0.8
142.07784	0.9
143.08575	2.5
145.06415	0.5
145.10135	12.8
147.08054	1.4
147.11696	16.9
149.09612	6.3
149.13257	8.5
151.11197	2.3
151.14810	1.7
155.08539	1.0
157.10110	3.7
159.08109	0.7
159.11688	8.3
161.09613	1.5
161.13255	5.5
163.11218	4.4
163.14818	6.1
165.09129	1.5
165.12761	0.9
165.16374	1.6
167.10725	0.6
169.10124	2.2
171.11693	2.8
173.13266	4.3
175.11169	1.5
175.14865	1.4
176.38748	0.5
177.12770	1.7
177.16396	2.5
179.18027	0.7
183.11691	2.1
185.13176	1.0
187.11160	1.1
187.14815	1.1
189.01875	1.9
189.12825	0.7
191.14317	1.1
191.17982	1.3
193.12233	0.8
197.13266	1.9
199.14857	1.0
201.12717	1.4
201.16316	0.7
205.19518	1.4
211.14859	1.2
213.16417	0.8
215.14243	0.6
215.17882	1.2
217.15915	1.0
219.21136	1.9
229.19513	3.2
231.06532	0.8
231.08578	0.6
233.15344	0.6
233.19083	0.7
239.17964	4.7
247.20601	2.5
257.19034	9.0
275.09360	2.1
275.20074	100.0
275.27386	19.9
276.20340	0.8
291.03851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.17558	0.5
53.03927	1.3
55.01861	2.2
55.05520	10.4
57.03419	0.7
57.07067	0.9
59.05002	0.6
65.03934	1.5
66.26366	0.5
67.05511	14.1
69.03435	0.9
69.06744	0.6
69.07077	8.5
70.79699	1.3
71.04984	1.7
73.08530	0.5
73.61249	0.5
79.05499	17.4
81.03397	0.7
81.07063	15.7
83.04960	1.5
83.08617	3.8
83.97512	0.5
91.05491	30.8
93.06487	1.1
93.07048	17.2
95.05013	2.5
95.08619	10.9
97.06548	2.8
97.10168	1.6
98.21493	0.6
103.05446	1.2
105.07039	46.7
107.04939	1.6
107.08608	15.1
109.06506	2.2
109.10175	4.0
111.08079	1.0
115.05437	0.8
117.07030	9.1
119.08594	29.0
121.06530	2.6
121.10156	7.8
123.08078	1.7
123.11714	1.3
125.09634	0.8
129.07001	1.1
130.07722	0.8
131.08585	11.8
133.06491	0.6
133.10144	28.3
135.08049	3.1
135.11699	8.4
137.09662	1.2
137.13278	0.6
141.07001	1.1
143.08578	2.0
145.10130	13.1
146.10909	1.0
147.08096	0.8
147.11697	20.7
149.09633	4.4
149.13239	2.2
151.11192	0.8
155.08562	1.6
157.10158	2.8
159.08116	0.6
159.11713	6.4
161.09653	1.1
161.13278	6.5
163.11172	3.7
165.09113	1.5
169.10139	1.9
171.11679	2.3
173.13269	4.8
175.11183	1.3
175.14838	0.8
177.01920	0.7
177.12770	0.6
179.03418	1.0
179.10815	0.6
183.11685	1.9
185.13242	1.0
187.11118	1.0
187.14862	1.0
189.01877	4.5
189.12776	0.7
191.14238	0.9
195.13791	0.7
197.13252	2.0
199.14838	0.5
201.12737	0.8
205.12344	0.6
211.14799	0.7
213.16368	0.8
215.17888	1.4
219.13795	0.9
229.15961	0.6
229.19528	2.5
231.06554	1.9
232.08621	1.9
233.15349	1.2
239.18039	2.7
247.07628	1.1
247.20558	1.7
257.19019	7.2
260.08093	0.9
275.10638	5.1
275.20087	100.0
275.27786	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	276.1595
Annotation	Annotinine
Peak:m/z	Relative Intensity
55.05510	1.4
56.05029	1.2
56.05289	0.3
57.03438	6.5
57.07070	1.5
57.68343	0.3
59.76564	0.3
62.49971	0.3
63.44792	0.3
64.52087	0.3
67.05511	4.4
70.06596	0.8
71.01795	0.7
72.08137	0.5
74.06071	1.6
79.05515	0.4
81.07065	0.5
82.06581	0.7
83.04972	0.9
85.06551	0.7
86.09708	0.9
87.10056	0.6
91.05479	1.7
93.07051	0.8
97.02845	0.4
100.07624	20.8
105.07037	5.7
106.06576	0.6
107.08594	0.8
120.08112	0.6
124.07599	0.4
131.08595	0.8
132.08095	4.4
132.10228	0.8
133.08894	4.8
133.10138	19.1
145.10144	0.4
146.09650	2.0
147.10420	2.4
148.11217	68.8
152.10789	0.4
160.11229	0.4
161.12077	0.5
162.12781	1.6
173.09647	0.5
174.12801	0.7
174.96844	0.5
185.12001	0.7
186.12794	0.3
188.14365	1.2
190.12238	2.1
200.14294	0.6
202.15988	1.2
204.17471	3.0
214.15863	2.0
215.14348	0.6
216.13943	1.2
217.14613	2.9
230.15366	0.8
232.16975	62.1
233.17378	0.4
248.16478	1.0
270.46677	0.4
276.15964	100.0
277.16321	0.5
288.22467	0.4
289.61600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21239	13.7
56.96569	57.7
61.02932	27.1
69.86134	70.9
72.72954	13.0
73.02905	17.9
79.05488	30.4
85.02902	18.0
93.07041	21.2
97.02895	28.0
98.97598	86.6
101.00874	49.0
110.97583	20.1
114.05489	14.7
114.10290	37.6
116.98635	21.6
119.01920	45.0
127.03860	17.6
128.98604	17.6
131.01942	24.2
133.03476	16.9
137.06001	38.5
143.01906	40.7
145.03551	25.7
148.03697	15.6
155.01868	20.9
157.03525	16.4
158.99686	36.0
160.29681	13.6
161.02968	80.0
173.02950	34.6
177.00786	17.4
185.02969	16.0
189.00702	19.9
191.03979	28.1
200.04517	69.5
200.46274	13.7
203.04092	18.8
277.03357	100.0
277.07608	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	277.0322
Annotation	selenoneine
Peak:m/z	Relative Intensity
51.52351	6.8
61.80097	6.3
62.83370	5.8
67.50015	6.1
71.51082	8.4
76.08421	6.9
100.83926	5.4
101.00892	8.4
102.76229	7.7
143.01903	8.7
195.36557	6.4
242.65640	5.9
245.78702	6.3
277.03226	100.0
277.07053	37.2
298.86670	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	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
52.45904	1.0
53.03954	5.9
55.05273	1.3
55.05517	19.5
57.07076	5.0
58.07376	1.1
67.05511	32.5
69.07072	17.4
69.98365	3.8
70.06573	1.7
71.04999	3.0
71.06911	1.5
71.08635	2.2
76.72993	1.0
79.05499	73.8
81.06591	2.0
81.07062	36.0
81.07536	2.2
83.04994	2.8
83.08627	7.6
85.06528	1.6
88.07648	2.8
89.07954	1.1
91.05489	26.8
93.07051	100.0
95.04980	4.5
95.08618	29.5
97.06533	4.4
97.10182	4.0
98.21457	1.2
99.08095	1.5
103.09626	1.1
105.04509	2.5
105.07041	15.6
107.08598	49.0
108.09086	1.4
109.06525	3.0
109.10169	12.1
117.07018	3.8
119.08599	13.3
121.10155	44.8
123.07982	1.6
123.11701	3.6
125.09596	1.2
129.07001	2.0
131.08589	5.1
133.10144	11.6
135.08119	2.1
135.11703	46.4
135.12735	2.3
137.09595	1.5
143.08585	3.0
145.10115	3.1
147.11682	8.5
149.09642	2.9
149.13261	20.6
157.10162	1.3
159.11707	4.3
161.13258	4.9
163.03885	1.1
163.11179	1.4
163.14867	6.1
166.16109	1.1
171.11766	2.9
173.13203	1.6
175.14861	2.6
177.12746	1.4
181.12294	1.5
185.13316	2.1
189.12767	1.4
195.13890	1.8
199.14899	2.0
202.07800	1.6
207.13831	1.8
213.16435	1.4
219.08125	2.5
221.15408	3.4
231.08080	4.2
231.17615	1.5
235.16966	3.9
241.19528	3.0
245.09636	2.0
246.10344	5.0
247.07512	2.0
259.09634	2.8
259.20612	5.7
259.27319	3.0
261.09213	1.2
262.09940	4.5
277.08801	3.1
277.12271	16.4
277.21664	82.2
277.28259	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02373	0.7
51.41708	0.6
53.03938	3.6
55.01854	1.4
55.05511	10.4
55.84950	0.7
57.07075	43.1
59.96792	0.7
67.05503	17.0
67.66972	0.9
69.07068	11.2
69.45472	0.6
70.44985	1.4
70.45346	1.5
71.04977	1.7
71.08617	0.8
79.05495	47.0
81.06597	1.4
81.07055	22.4
83.04971	1.9
83.08622	5.3
85.06519	1.0
88.07635	1.0
91.05483	18.8
93.07044	63.2
95.04968	3.9
95.08612	16.9
97.06522	2.0
97.10153	3.1
98.21468	0.8
103.01216	0.6
105.04507	1.2
105.07040	11.4
107.08598	33.8
108.08969	1.0
109.06535	1.6
109.10169	7.3
111.08092	1.7
117.06995	2.1
119.08587	8.4
121.10144	34.0
123.04406	2.6
123.08038	1.1
123.11697	2.0
129.06967	1.5
131.08600	3.8
133.10130	8.0
135.08134	1.6
135.11693	29.6
135.12735	1.5
137.09622	1.1
143.08562	1.6
145.10129	3.0
147.04396	0.9
147.08038	1.1
147.10712	0.6
147.11752	5.0
149.09567	0.7
149.13266	12.6
157.10106	2.4
159.11693	2.9
160.11974	0.7
161.13257	2.5
163.07561	1.0
163.14857	3.5
165.05507	1.1
171.11646	1.9
173.13257	2.5
174.13641	1.0
175.11221	1.2
175.14938	0.9
177.12761	2.9
179.10678	28.1
183.28804	0.8
184.71930	0.8
185.13295	1.7
195.13780	0.8
199.14787	1.7
201.12621	0.8
203.08525	1.5
203.14137	0.8
207.13882	1.5
213.16370	1.4
217.15877	1.7
219.13768	2.7
221.15327	3.0
231.08067	1.1
231.66325	0.7
235.16928	98.2
240.15190	0.7
241.19295	1.2
241.23207	0.7
246.10408	2.7
247.07564	1.1
259.09659	0.7
259.20331	2.4
262.09998	1.5
277.08578	2.1
277.12195	7.8
277.17981	100.0
277.21558	50.8
277.28140	11.5
278.18222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03951	4.0
55.01871	1.1
55.05513	16.0
57.07080	3.7
57.37235	0.6
65.03950	1.6
67.05507	33.3
69.06693	0.7
69.07070	14.4
69.97206	2.4
71.05000	1.5
72.32009	0.5
77.03942	1.9
79.05498	70.6
81.07063	33.0
81.07465	0.5
83.04984	2.2
83.08627	7.8
85.06524	1.4
91.04903	1.0
91.05485	26.2
93.07047	100.0
95.04967	3.6
95.08616	23.1
96.36372	0.6
97.06536	2.3
97.10175	4.7
99.08096	0.8
101.06054	1.1
105.04549	1.9
105.07037	13.1
107.08601	48.2
109.06529	1.9
109.10161	13.1
111.08063	0.7
117.07027	2.7
119.08584	8.7
121.10148	37.4
123.08064	1.0
123.11724	2.6
125.09608	0.8
129.06990	1.5
131.08565	2.8
133.10136	10.6
135.08051	1.3
135.11699	57.0
137.09651	1.3
137.13213	0.5
139.11192	0.6
143.08582	2.0
145.10110	3.0
147.11705	6.6
149.09612	0.9
149.13261	23.1
151.11198	1.0
153.09129	0.6
157.10121	1.4
159.11707	3.6
161.13275	4.8
163.11194	1.0
163.14828	7.0
171.11688	2.2
173.13278	2.7
175.11206	1.1
175.14854	2.4
177.12810	1.2
177.16295	0.8
181.12274	1.6
185.13309	1.9
189.12857	1.1
193.12215	1.2
195.13759	1.5
199.14806	1.6
207.13805	1.9
209.15346	0.8
213.16383	1.7
217.19540	0.6
221.15245	2.7
231.17455	1.3
235.16898	3.8
241.19617	1.6
244.10675	0.6
259.20642	2.8
262.10046	0.6
277.21637	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	277.2165
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03940	3.7
53.71058	1.4
55.05518	13.5
57.07082	3.7
60.30952	1.2
65.03913	1.4
67.05511	29.8
69.07076	15.4
70.76045	2.7
71.04986	2.1
77.03922	1.3
79.05504	72.4
81.07066	37.9
83.04990	3.4
83.08630	6.4
86.49957	1.3
91.05489	23.9
93.07053	100.0
95.04965	4.9
95.08608	24.6
97.06524	1.6
97.10191	3.8
105.04512	2.9
105.07051	14.0
107.08607	48.4
109.10178	11.7
117.07022	3.4
119.08575	11.3
121.09340	2.5
121.10158	41.1
123.08049	2.1
123.11715	3.8
131.08563	3.1
133.10136	12.4
135.11705	46.4
143.08586	1.7
145.10123	3.2
147.11710	8.9
149.13274	19.9
151.11089	1.5
158.41954	1.2
159.11694	3.4
161.13278	4.9
163.14819	6.1
171.11694	4.4
173.13232	3.5
175.11197	2.2
175.14821	1.7
179.10699	1.3
185.13260	3.5
199.14795	2.4
207.13808	2.0
221.15411	4.7
235.17006	4.7
241.19560	2.4
259.20615	4.5
277.21661	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1752
Annotation	Lycoposerramine E
Peak:m/z	Relative Intensity
55.05511	0.3
57.03432	0.8
57.07078	2.2
65.03910	0.3
67.05505	5.1
69.07087	0.3
70.35938	0.6
70.36294	0.4
71.05015	0.4
73.02912	0.4
84.08138	0.6
85.02908	0.3
85.06024	0.4
85.06547	7.2
95.04980	0.4
100.07600	0.3
104.06113	0.2
107.04957	0.6
118.06506	0.6
119.07372	0.6
132.08139	0.7
133.08862	1.7
146.09637	0.3
147.04366	0.3
148.11214	35.8
149.02336	1.7
149.11536	0.3
150.09146	2.3
150.29379	0.2
159.29993	0.3
164.07092	5.0
174.12819	0.4
188.14317	0.3
216.14011	0.3
232.16968	48.3
234.14835	0.8
278.14001	10.7
278.17487	100.0
279.17926	0.6
289.14404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45425	0.4
56.96563	6.1
63.82821	0.3
68.96543	0.4
69.03422	0.5
69.91853	1.7
69.92226	0.6
71.95254	0.8
84.08138	0.9
84.96047	0.8
85.02900	1.3
91.05483	0.4
97.02851	0.4
98.97586	100.0
102.96841	0.8
107.04888	0.4
109.06468	0.4
110.97569	19.3
112.99093	0.5
116.24736	0.3
116.98624	24.6
124.99118	0.4
127.04048	0.4
128.98611	10.6
130.04980	2.1
131.65541	0.3
134.99654	3.8
137.05980	0.7
140.00204	0.6
140.98627	0.8
143.00151	1.6
146.99644	2.9
149.02332	2.5
150.09152	4.0
152.98605	0.5
158.99661	50.0
170.99658	10.2
177.00719	34.1
177.01932	0.5
178.27068	0.4
182.99670	0.8
189.00714	17.8
195.01714	1.1
198.53574	0.4
200.02357	0.6
200.04370	0.6
201.00728	1.5
207.01767	8.2
218.99805	0.7
219.01773	10.8
237.02805	8.8
249.02754	1.2
255.03920	1.9
256.21478	0.4
278.96884	1.1
279.03876	9.4
279.13376	2.5
279.16766	0.8
297.04968	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	279.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40349	0.2
56.96298	0.5
56.96567	8.0
57.07086	2.8
57.75430	0.2
59.15435	0.3
60.95850	1.8
61.88776	0.3
71.32902	0.4
71.95267	1.5
72.91798	0.2
79.05502	0.8
81.07064	0.4
84.96040	0.5
88.86047	0.3
91.05463	0.4
98.97591	100.0
99.97916	0.5
100.97185	1.0
100.97990	0.8
101.00920	0.4
102.96877	14.0
103.00626	0.6
110.97575	14.7
112.99147	0.3
116.98628	44.2
119.01941	0.6
120.02053	0.4
120.97916	6.7
121.01664	0.8
121.02872	0.9
121.32442	0.3
124.99103	0.3
125.51992	0.2
128.98615	12.3
131.00157	0.4
134.99669	13.3
137.05942	0.5
138.98955	2.3
140.00212	1.5
140.98598	0.5
143.00159	0.9
145.01651	0.4
146.99666	5.1
149.02351	18.0
152.00227	0.3
152.98723	0.6
153.00719	0.8
157.00032	0.3
158.01216	0.6
158.99666	24.7
161.01204	0.6
163.02695	0.4
167.03435	1.0
170.99661	8.0
173.01129	0.3
176.93697	1.4
177.00725	29.5
182.99632	1.5
187.02588	0.4
189.00716	16.1
194.94684	1.2
195.01729	1.7
197.00806	0.3
200.02309	1.4
201.00742	3.2
207.01765	7.4
212.02249	0.4
212.95683	0.6
215.02113	0.3
215.54115	0.3
218.94661	0.6
219.01770	6.5
220.08022	0.3
222.54697	0.3
225.02917	0.3
230.03358	0.4
236.95804	2.2
237.02808	6.1
237.05348	0.4
237.06187	0.3
238.06316	1.3
242.98340	0.6
249.02814	0.9
253.07613	0.4
253.99530	0.3
254.96765	0.9
255.01691	0.3
255.03969	2.1
256.07397	1.3
258.99811	1.0
260.95792	3.2
260.99582	12.1
261.02863	0.6
271.08359	0.3
274.08463	0.8
274.97528	0.7
277.00803	0.8
278.96793	22.9
279.00592	15.3
279.03864	6.7
279.07492	1.3
283.00012	0.3
283.42712	0.3
284.01160	0.5
292.98508	0.5
296.97897	12.6
297.04898	1.4
297.08392	0.6
301.98514	0.6
302.01935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01868	5.8
57.03430	2.3
57.07079	15.8
64.53622	1.0
65.03930	3.6
67.05506	8.8
68.99781	1.8
69.03433	31.7
69.07074	2.3
69.90205	5.6
71.04993	1.5
72.08151	1.1
73.02929	1.6
75.08103	1.0
79.05069	1.8
79.05498	21.3
81.03422	5.8
81.07063	14.5
84.08146	2.2
85.02923	7.7
89.06032	2.6
91.05488	14.6
93.07051	2.1
95.01314	1.1
95.04465	1.5
95.04984	18.5
97.02896	15.1
97.95018	1.0
98.20835	2.0
103.05466	2.4
105.07019	3.2
107.04963	27.2
109.02893	5.5
109.06516	16.0
111.04455	1.2
115.05444	1.8
117.06975	2.0
118.06518	1.5
119.04965	15.4
120.07678	1.6
121.02856	4.1
121.06503	6.5
123.04404	4.0
127.03927	2.2
131.08545	2.2
133.06494	4.2
135.04443	1.3
136.05203	3.5
137.05991	91.7
141.07027	1.4
145.04932	1.1
145.06406	2.7
147.04413	3.7
147.08113	1.0
149.02354	100.0
149.05948	4.2
150.09135	1.5
159.08028	3.0
161.05974	3.3
163.03851	1.6
164.07079	15.3
164.23235	1.0
165.05467	2.8
165.07442	16.4
167.03387	2.7
173.05971	3.2
175.07561	1.6
177.05440	2.1
187.07558	5.3
189.05469	2.3
191.07051	2.3
205.08658	2.9
215.07039	4.8
219.06448	1.4
233.08116	8.3
238.67215	1.2
242.79178	1.4
243.06569	2.9
249.07756	1.7
261.07538	3.1
279.08688	14.2
279.14188	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	279.1014
Annotation	Dihydroisotanshinone II
Peak:m/z	Relative Intensity
55.01871	0.7
55.05500	0.3
56.86565	0.1
57.07081	1.8
60.32366	0.1
64.90550	0.1
67.05505	0.3
69.03427	0.2
69.07082	0.8
69.42974	1.0
69.67976	0.1
79.05502	0.2
81.07050	0.8
83.08613	0.3
85.02890	0.2
87.05986	0.1
91.05476	0.3
93.07031	0.3
95.08617	0.7
103.05447	0.2
105.07043	0.2
107.04925	0.2
107.08581	0.3
109.10136	0.4
110.58443	0.1
115.05389	0.3
121.02862	0.6
121.10126	0.3
123.04425	0.4
123.11683	0.2
128.06180	0.3
129.07014	1.0
131.04953	0.2
144.05690	0.2
145.06456	0.2
147.04393	0.3
149.02354	12.9
153.07027	0.2
155.04915	0.3
157.06494	2.3
161.05995	0.1
165.06992	1.9
166.07649	0.2
167.03395	0.3
167.08592	0.1
172.05231	0.4
176.06192	0.4
177.07010	0.2
178.07747	0.5
179.08568	0.8
180.09370	1.2
181.06430	0.7
181.20447	0.1
187.07549	3.0
189.06978	2.7
190.07784	6.9
191.08566	16.7
192.09259	0.5
193.06519	0.7
193.10121	0.8
194.07274	0.7
195.08035	0.5
201.07024	0.9
202.07799	1.7
203.08540	1.1
204.05585	0.2
205.06490	1.8
205.08415	0.3
205.10240	0.4
206.07352	0.3
207.08098	3.7
208.08838	7.8
209.06021	0.1
209.09605	0.3
211.07413	0.2
215.08594	0.3
217.06520	0.3
218.07283	9.6
219.08064	37.8
220.08832	6.2
221.06006	4.7
221.09381	1.0
222.06721	0.6
223.07455	0.3
223.11252	0.7
229.07858	0.8
231.08090	1.5
232.08852	0.2
233.09636	1.6
234.06735	0.5
234.10374	0.3
235.07558	6.2
236.04561	0.5
236.08333	14.2
237.05464	0.2
237.09088	0.9
246.06755	3.4
247.07559	28.0
248.08340	16.8
248.11087	0.1
249.05476	2.7
249.09122	1.2
250.09901	0.7
251.06836	0.5
251.10692	12.8
261.09134	9.3
262.09836	1.1
262.51865	0.1
263.07001	1.2
264.07828	17.6
265.08307	0.2
269.75616	0.1
277.08740	0.3
278.09329	0.6
279.10168	100.0
280.10580	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.6
57.06843	0.6
57.07081	8.5
62.44064	0.5
65.03927	0.9
67.05498	1.2
69.07065	0.9
71.41282	1.3
79.05456	1.0
81.07040	1.7
91.05492	0.7
95.08586	1.8
109.10150	1.0
115.05379	0.9
121.02845	2.3
128.06223	0.6
129.06999	1.1
131.08606	0.7
133.29973	0.6
143.04945	1.3
144.05716	1.4
145.06490	16.7
149.02348	59.8
155.03125	0.7
156.05746	0.7
157.02779	0.8
157.06512	1.0
158.07253	1.1
159.08076	6.8
161.05957	1.7
172.05226	1.0
173.06000	10.4
174.06767	2.2
175.07556	1.5
187.07571	8.8
188.08330	51.2
189.05479	17.0
189.09053	4.5
198.06732	3.5
201.05450	3.9
202.09866	3.0
203.07004	2.5
204.07831	44.7
205.08553	0.8
216.07802	1.6
218.07367	0.7
218.09422	2.0
219.10167	100.0
231.10165	42.9
233.11699	2.6
236.08311	0.8
247.07475	0.9
248.08398	0.8
249.11246	8.6
251.10660	0.8
258.19571	0.8
261.11319	0.7
264.07745	1.5
279.06827	0.6
279.10004	4.5
279.12411	1.1
279.17612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
53.03948	0.6
57.03413	0.5
57.07081	5.3
65.03951	0.7
67.49409	0.4
69.03440	2.5
69.07061	0.6
79.05492	0.8
81.03424	3.8
85.02905	0.5
86.09710	100.0
91.05462	0.9
93.07037	2.2
95.08595	0.6
97.02894	0.9
97.06519	0.5
98.97607	0.6
99.04466	0.8
103.05482	3.8
104.96259	0.4
105.07056	0.6
107.04959	10.9
107.08582	0.4
109.02888	1.6
109.06550	0.5
119.08592	0.5
120.08112	75.0
121.02879	1.7
121.06440	0.4
127.03937	0.8
131.04941	0.8
132.10184	1.1
133.10185	0.7
135.08104	0.7
138.09175	0.5
147.04437	0.4
149.02350	39.7
151.07513	0.5
163.03880	1.1
165.03691	0.4
166.08650	9.2
167.03380	0.6
181.04987	0.5
189.07056	0.5
190.07770	0.5
191.08693	1.8
219.08086	2.3
229.13408	0.7
233.16464	1.4
236.08191	1.2
246.85371	0.4
247.07549	2.3
248.08366	0.7
251.10727	1.3
261.57343	0.4
264.07797	1.0
279.10022	6.3
279.17084	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	281.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	16.0
54.56817	3.9
55.01872	24.2
55.05502	5.6
65.03963	4.4
67.05500	18.0
69.03422	6.7
69.07079	23.7
70.02030	10.5
70.02425	7.4
71.01347	10.2
71.04980	18.9
79.05075	7.2
79.05498	100.0
81.03423	12.2
81.07062	29.4
83.04978	20.0
85.06550	22.5
91.05486	76.9
93.07034	26.8
94.62569	4.7
95.04985	37.0
95.08591	15.6
97.06532	15.1
99.04411	9.1
103.05473	18.9
105.03380	6.3
105.07034	60.3
107.04974	71.5
107.08614	7.4
109.06510	15.4
111.04398	5.0
115.05460	9.3
116.06252	7.4
117.07016	23.2
119.04947	19.9
119.08567	17.1
121.06496	17.7
125.06016	47.7
127.07551	7.5
128.06247	38.7
129.07031	48.4
131.04944	18.7
131.08585	68.9
133.06471	9.7
133.10153	30.4
135.04445	43.5
137.05975	17.6
141.07007	21.4
142.07764	31.2
143.07024	10.9
143.08582	66.9
144.05696	11.2
144.09355	6.3
145.06517	11.0
145.10092	11.0
147.08037	12.8
149.05983	20.1
149.09645	6.4
151.03996	4.8
151.07541	10.9
154.07726	6.2
157.06435	7.7
157.10135	55.3
159.06865	7.2
159.08081	76.9
159.11723	7.6
161.06000	4.7
161.09654	41.2
163.07564	9.0
165.05565	27.6
165.06839	7.2
167.08560	11.7
169.08679	26.7
169.09937	6.4
171.08078	28.5
174.16635	4.5
175.11238	8.9
185.09648	48.2
187.07617	7.6
187.11111	7.4
189.09123	81.9
195.07999	7.2
203.10696	40.5
207.08281	6.7
207.10196	77.3
213.09256	29.3
217.12218	12.8
221.09744	10.8
221.11740	18.6
231.10124	28.7
245.11674	4.8
249.09018	8.2
249.11238	58.2
251.07132	5.8
263.12619	10.7
266.09271	6.8
267.12289	73.8
281.08032	14.2
281.11661	55.7
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
53.03948	7.3
55.01849	4.5
55.05517	29.0
57.03443	26.3
57.07064	2.0
57.44209	1.3
63.87411	1.3
64.89014	1.2
65.03918	3.6
67.05507	75.9
69.03387	2.1
69.07066	13.5
69.87003	7.6
71.04965	2.8
73.06559	2.2
77.03896	2.3
79.05497	100.0
81.03425	17.0
81.07060	61.0
83.04981	37.5
83.08627	9.5
85.06511	2.1
91.05485	68.7
91.95842	1.3
93.07045	68.2
95.04973	24.7
95.08607	38.1
96.57294	1.4
97.06502	4.8
97.10132	5.1
105.04485	2.5
105.07033	45.9
107.04950	11.0
107.08597	23.8
109.06521	8.1
109.10151	7.4
117.07024	9.6
119.08582	31.2
121.06425	4.3
121.10090	5.6
122.96170	1.4
123.08080	8.2
127.07537	2.3
128.06177	2.2
129.06143	2.1
129.07001	18.2
131.08519	5.8
133.10167	11.9
135.08034	2.0
135.11659	3.4
143.08557	10.5
145.10132	10.5
147.08006	5.1
147.11688	52.2
161.09560	4.5
161.13248	17.9
171.11687	34.1
179.14148	1.8
189.12740	13.3
197.09541	6.5
207.13820	18.9
224.11841	5.1
239.14291	15.3
281.10864	2.1
281.17352	65.9
283.63605	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2479
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
52.08070	0.9
53.03952	3.0
55.05515	16.7
57.03435	6.9
57.07082	6.6
65.03935	2.7
67.05509	73.2
69.07072	18.7
69.50220	1.0
69.97533	4.3
71.04999	100.0
79.05499	37.3
81.07062	93.8
83.04981	2.5
83.08619	9.8
85.06546	11.1
91.05489	13.8
93.07053	49.6
95.04964	1.4
95.08612	84.5
97.06522	3.3
97.10178	5.5
99.08102	15.9
105.04517	1.6
105.07043	12.3
107.08600	27.4
109.10165	36.4
111.08054	1.7
111.11719	4.0
113.09663	4.0
119.08573	8.6
121.10148	31.0
123.08066	1.7
123.11709	12.2
125.09555	2.5
127.11186	1.5
133.10158	8.5
135.11702	27.9
137.13269	4.0
139.11194	2.5
141.12627	1.2
147.11697	8.2
149.13286	12.5
150.02693	1.3
151.02847	1.2
151.14818	1.3
153.01855	2.2
153.12741	2.9
161.13272	7.1
163.14818	10.6
175.14870	5.6
177.16397	8.5
179.14351	1.3
189.16400	4.4
195.17537	2.2
197.09674	2.5
221.18979	1.2
237.57030	1.2
239.14320	8.0
245.22655	4.7
263.23773	13.5
281.11789	1.3
281.19009	4.1
281.24997	8.8
297.73349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	5.7
69.67967	1.9
71.95260	1.9
79.52976	0.4
91.45295	0.3
91.58677	0.3
98.97589	100.0
99.58370	0.4
116.98627	30.0
127.63732	0.3
134.99664	4.4
140.00203	0.5
148.93002	0.4
186.59340	0.4
216.98697	0.9
240.98685	3.6
258.97562	0.7
258.99774	39.8
277.00827	49.1
279.01144	0.4
282.01352	0.7
300.02551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01866	2.5
55.05507	0.8
56.96571	7.7
57.03443	6.4
57.07086	0.9
61.02932	11.1
67.05505	2.0
68.63942	0.7
69.03432	19.1
69.77151	2.8
70.06609	0.9
71.04990	1.7
73.02912	5.4
79.05504	3.7
81.03427	8.0
81.07053	4.7
83.04996	1.1
84.08154	1.2
84.96024	1.1
85.02911	100.0
85.06548	25.8
87.04464	3.6
90.30456	0.6
91.03959	7.5
91.05486	4.3
93.07063	2.1
93.62916	0.6
95.04969	1.5
95.08628	2.4
97.02900	20.6
97.03526	1.2
98.20860	1.3
98.97586	10.5
99.04468	4.8
102.09212	1.2
103.07595	2.6
105.07071	1.9
107.04954	0.7
109.02892	9.6
109.06525	3.8
109.10211	0.7
110.97578	1.9
111.08106	1.3
112.99111	0.8
115.03971	1.3
116.98640	2.4
119.01907	1.7
119.04959	1.3
121.06514	3.7
123.08115	2.1
127.03931	23.7
128.98608	1.0
130.08656	1.1
136.06227	1.0
137.05994	12.2
138.06375	1.6
141.09100	1.2
143.00238	0.9
145.04973	59.5
147.04482	2.0
150.07761	30.8
158.99677	2.5
161.04753	0.9
163.03943	1.3
163.06027	19.3
163.07443	1.6
165.05505	0.7
170.99690	0.8
177.00763	1.5
180.05469	1.5
180.08704	1.4
186.04459	1.2
189.00725	0.9
189.05962	1.5
195.03342	0.9
197.01265	0.8
197.04855	1.4
204.05469	1.2
205.06570	1.3
211.02837	1.2
211.08186	1.6
213.00720	0.9
215.02222	1.4
215.06020	0.8
219.01901	1.6
223.08107	0.9
229.03772	0.9
229.10794	8.3
235.02907	1.1
241.03917	2.5
241.09297	2.1
259.04929	1.6
259.10379	4.3
282.13376	2.1
282.21942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.6
56.87916	0.2
59.05006	1.4
61.02932	1.9
61.82860	0.2
67.05501	0.2
69.22510	1.3
69.22916	0.7
71.04607	0.3
71.04997	3.7
72.92795	0.3
79.05495	1.3
81.03407	0.2
81.07060	5.0
84.08143	0.3
87.08096	0.5
91.00204	0.2
93.07080	0.4
95.08649	0.3
99.08106	0.7
105.93934	0.2
109.05140	0.3
110.03532	3.4
113.09657	1.0
120.08117	0.4
128.04564	1.1
132.45087	0.3
134.04640	0.4
135.03030	8.5
136.01447	0.4
147.04294	0.3
152.05685	100.0
153.04088	6.8
153.06000	0.4
164.07045	0.5
166.07269	0.9
174.12932	0.5
181.37872	0.2
212.52484	0.2
220.13371	0.7
232.11905	0.7
250.13026	2.7
282.15628	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	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
53.33280	0.2
55.01863	0.4
57.03432	1.1
58.18404	0.2
61.02909	0.2
65.03941	2.1
65.57146	0.2
67.05505	0.5
68.99779	0.2
69.03436	4.4
70.06585	0.3
70.32729	0.4
70.33121	0.4
71.01342	0.4
71.04986	0.4
73.02901	0.3
79.05496	0.5
80.51853	0.2
81.03421	6.1
81.07050	0.5
83.04955	0.3
85.02910	4.9
86.09741	0.2
91.05473	0.5
93.07047	0.6
95.04974	5.7
97.02898	1.5
97.06488	0.2
98.97593	0.2
99.04478	0.8
103.05474	0.2
105.00155	0.3
105.04503	0.2
105.07043	0.3
107.08582	0.2
109.02885	2.3
111.04439	1.7
112.07628	0.2
121.02870	100.0
122.03167	0.5
123.04423	0.3
123.08116	0.2
127.03905	1.4
131.04982	0.2
131.08528	0.2
135.04449	0.2
135.08023	0.2
137.05960	0.3
139.03906	9.3
139.07449	0.3
145.04951	0.2
145.06451	0.2
147.04402	0.3
151.07513	0.4
152.05672	0.9
153.06001	0.6
159.08116	0.3
163.03925	0.7
181.04895	0.3
195.08115	0.2
223.09615	0.2
225.05475	0.2
240.07889	0.7
249.81709	0.2
251.06978	0.2
265.07120	3.2
265.10626	0.5
268.07327	0.6
283.09976	1.5
296.62506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.2
55.01871	0.4
57.03426	0.7
59.04959	0.2
61.02933	0.3
64.63596	0.2
65.03941	2.4
67.05499	0.3
69.03088	0.3
69.03434	3.9
69.87544	0.1
70.06577	0.5
71.01343	0.2
71.04987	0.6
71.51129	0.3
72.16241	0.2
77.94805	0.1
79.05482	0.4
79.50249	0.1
81.03423	5.9
81.07060	0.3
83.04986	0.3
85.02914	5.4
85.06535	0.2
87.00835	0.1
87.31944	0.2
89.06037	0.2
91.05489	0.2
93.03368	0.3
93.07046	0.4
95.04373	0.3
95.04976	6.2
95.08601	0.2
97.02901	1.5
99.04455	0.6
100.25491	0.2
105.07008	0.2
109.02892	2.9
111.04445	1.5
112.07604	0.4
119.04945	0.5
121.02877	100.0
121.10131	0.3
127.03907	1.3
135.04417	0.3
139.03911	9.8
140.07112	0.2
145.02809	0.2
147.04428	2.0
163.03903	1.1
195.08130	0.2
221.13635	0.2
223.07880	0.2
230.90965	0.2
240.07851	0.4
244.41904	0.2
262.25916	0.2
265.07098	3.4
268.07367	0.3
283.08151	0.9
283.09979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01872	0.4
57.03432	0.9
57.94269	0.2
58.77474	0.2
61.02930	0.4
65.03938	2.5
67.05488	0.3
69.03436	4.7
71.04978	0.6
71.39927	0.3
71.40287	0.3
81.03422	8.8
85.02914	4.9
92.69023	0.2
95.04972	4.7
97.02895	1.6
99.04449	0.7
107.01740	0.2
109.02885	3.9
111.04462	1.5
121.02872	100.0
122.03230	0.4
127.03903	1.5
128.00870	0.3
139.02814	0.5
139.03906	8.7
145.04968	0.4
145.63333	0.2
181.04965	1.1
240.07938	0.5
247.68752	0.2
253.10738	0.7
265.07077	6.7
268.07364	0.5
283.08194	1.0
283.09415	0.7
283.12253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
53.03934	1.1
55.01868	0.5
55.05509	0.4
57.03437	0.6
57.16528	0.2
60.92175	0.3
61.78476	0.2
65.03943	2.8
67.05505	0.8
69.03433	3.4
69.07066	0.6
69.65765	1.3
71.04984	0.5
79.05483	0.8
81.03425	4.2
81.07068	1.3
83.08599	0.3
85.02911	4.7
91.05451	0.6
93.07045	1.0
95.04980	5.7
95.08600	1.2
97.02887	1.1
97.06571	0.4
99.04459	0.7
99.08066	0.3
105.07033	0.9
107.04964	0.5
107.08604	0.9
109.02917	2.1
109.06539	0.5
111.04430	1.5
111.08067	0.4
119.08649	0.6
121.02873	100.0
121.10089	0.6
123.11729	0.4
127.03914	0.8
131.08542	0.4
131.92923	0.2
133.10133	0.3
135.11743	0.4
139.03908	9.2
145.06458	0.3
145.10168	1.2
163.03923	0.6
163.11215	2.6
173.09659	0.5
187.11171	0.4
191.10722	0.7
195.08092	0.3
197.06059	0.4
205.12341	0.4
211.07588	0.3
213.12839	0.2
215.10571	0.3
225.05490	0.9
233.11752	0.7
240.07800	2.3
265.07095	2.9
268.07300	2.5
283.09976	6.3
283.17810	0.3
283.20450	1.3
292.72101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.01863	0.5
57.03434	1.0
57.44170	0.2
61.02922	0.4
61.85660	0.2
65.03934	2.3
69.03433	4.7
69.74871	1.1
71.01334	0.4
71.05009	0.6
74.33410	0.2
81.03422	8.5
85.02914	4.6
92.08893	0.3
93.07069	0.3
95.04974	4.8
97.02896	2.0
98.20769	0.4
99.04471	1.1
109.02891	3.7
111.04437	1.4
121.02873	100.0
122.03209	0.3
127.03870	1.4
139.03906	8.9
163.03888	0.6
165.50418	0.3
217.21883	0.2
240.07840	0.9
265.07077	6.7
268.07361	0.8
274.35727	0.2
283.07547	0.3
283.10080	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45023	0.6
53.03951	1.5
55.01876	3.5
55.05265	1.0
55.05514	10.2
57.03440	10.1
57.07064	1.3
67.05508	14.6
69.03427	5.0
69.07069	7.2
71.04996	3.3
73.02907	2.1
74.22469	0.7
79.05495	24.2
81.03402	2.8
81.06592	1.4
81.07056	20.1
83.04974	3.5
83.08618	8.7
85.02923	1.3
85.06513	0.9
87.04463	2.5
89.06016	0.7
91.05482	6.7
93.07044	33.0
95.04967	6.6
95.08612	34.7
97.02896	3.7
97.06545	3.7
97.10144	1.4
98.97663	0.7
99.04476	4.6
103.05463	2.6
104.05794	1.8
105.07040	8.7
107.04957	11.1
107.08591	26.5
108.05322	0.8
109.06541	3.1
109.10166	4.1
111.04470	1.6
111.08076	1.8
112.29821	0.6
113.06064	1.1
117.07026	8.1
119.04932	0.9
119.08584	10.1
121.02861	4.6
121.06513	6.8
121.10149	13.3
123.08055	0.9
123.11691	1.5
125.05997	2.5
127.03882	0.7
127.05371	0.6
127.07561	1.0
129.07034	1.0
130.07788	2.0
131.04927	2.1
131.08594	1.6
132.05215	0.7
133.06453	1.1
133.10146	2.0
134.09659	2.0
134.29012	0.7
135.08044	2.6
135.09995	2.3
135.11691	38.7
137.06003	0.8
137.13217	0.7
139.03908	0.9
139.07544	1.8
143.08583	1.5
145.06497	0.8
145.10126	25.2
147.08049	1.0
147.11644	0.9
153.12770	1.5
155.08583	1.6
163.03893	1.4
163.11182	56.3
167.08611	1.0
173.09686	1.6
181.04935	1.1
181.12215	12.9
185.13237	0.6
187.11113	0.9
191.10608	1.4
207.13878	0.7
209.11700	2.3
215.10715	0.9
219.13745	0.9
221.07896	0.8
225.05536	0.7
227.12785	100.0
233.11736	1.0
240.07867	1.4
241.08647	0.8
251.06969	1.3
265.02185	0.7
268.07358	2.3
269.08157	0.8
283.06393	1.1
283.09717	6.6
283.15372	42.5
284.10480	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36577	1.1
55.01876	3.5
55.05508	4.8
67.05505	5.3
69.03423	3.9
69.07073	7.4
70.79879	1.6
70.80242	2.9
71.05011	1.7
76.49271	1.2
79.05495	18.3
81.07053	8.4
82.20149	1.2
83.04985	5.9
83.08602	1.5
85.06535	3.0
91.05460	8.8
93.07053	21.0
94.66437	1.1
95.04974	9.4
95.08614	9.3
97.06532	10.3
98.20869	1.3
99.08091	2.5
105.07033	24.5
107.04962	16.0
107.08601	14.1
109.06499	8.2
111.08078	4.5
114.75723	1.1
117.07021	5.5
119.04935	11.1
119.08604	7.8
121.02882	2.5
121.06522	17.0
121.10147	3.0
123.08101	1.4
125.06005	8.5
129.07014	1.7
130.07809	2.5
131.08578	4.9
133.06503	8.7
133.10182	2.4
135.08063	10.2
135.11717	7.3
137.06017	3.6
139.07555	15.8
143.07034	4.3
143.08603	3.1
144.09367	1.8
145.10132	39.8
147.08087	3.8
147.11682	10.7
151.07474	1.4
157.08598	10.5
158.07220	1.3
159.08095	1.6
159.11739	10.5
161.09715	2.1
161.13182	2.6
163.11189	100.0
165.09143	1.8
165.12787	3.0
169.10184	3.3
171.11688	3.5
173.09631	30.0
177.12779	1.3
179.08592	1.9
187.11211	15.5
189.12769	13.9
191.10695	21.9
197.09668	3.6
205.12225	10.0
207.13823	5.1
215.10706	15.8
223.13326	2.2
233.11736	32.6
239.16402	2.0
241.27538	1.4
251.12796	3.4
265.14349	2.9
280.85651	1.2
283.15417	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
55.01863	4.5
55.05503	17.3
57.03418	5.9
57.07072	4.2
59.05005	3.7
59.86557	3.4
63.85529	3.6
65.30173	4.3
67.05507	20.9
67.17859	4.3
69.03412	11.6
69.07066	25.5
70.96105	8.2
70.96433	4.2
71.04986	6.1
79.05497	31.0
81.03414	8.8
81.07067	52.4
83.04978	13.5
83.08610	8.2
85.02892	6.2
85.06552	10.6
91.05482	20.2
93.07049	54.3
93.74281	4.1
95.04965	17.8
95.08618	40.9
97.06519	16.3
99.04444	7.1
105.07036	49.9
106.61764	4.7
107.04941	15.4
107.08582	37.8
109.06525	17.2
109.10160	17.7
111.08069	9.0
115.05405	4.8
117.07021	9.9
119.04954	36.9
119.08541	20.7
121.02847	15.1
121.06512	21.3
121.10137	12.3
123.08090	5.1
123.11713	16.4
125.05995	17.4
125.09638	6.4
129.07021	6.5
130.07787	7.1
131.08554	15.6
133.06493	9.8
133.10129	16.0
135.08049	7.3
135.11707	11.5
137.05988	9.0
139.07550	8.7
143.07065	12.5
143.08531	12.3
144.09424	7.8
145.06468	7.1
145.10117	85.0
147.08035	7.4
147.11690	19.0
149.09555	4.7
149.13213	9.0
151.07587	6.5
151.11162	4.8
155.08528	4.5
157.08589	6.8
157.10094	7.9
159.08090	9.5
159.11673	30.8
161.09627	8.4
163.11194	100.0
169.10130	11.8
171.08061	5.9
171.11795	6.4
173.09668	28.3
185.09608	5.4
187.11185	42.1
187.14821	6.7
189.12686	11.6
191.08937	3.7
191.10677	21.6
197.09544	6.3
199.11125	5.8
201.16374	6.1
205.12250	32.6
209.93990	3.9
213.12784	7.1
215.10683	57.7
220.75015	4.0
229.15964	4.2
233.11725	53.4
240.07861	27.0
241.15852	12.0
247.16922	12.2
251.12804	8.8
265.17905	6.1
268.07333	21.3
268.99518	4.3
283.09641	69.0
283.12363	9.6
283.20654	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	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03924	4.4
55.01868	17.5
55.05512	36.2
57.03440	31.8
57.07040	5.4
59.04963	6.6
65.03896	2.1
67.05507	32.1
69.07076	10.5
69.51051	10.2
70.17999	1.9
71.01321	2.1
71.04950	7.1
71.08566	1.7
73.40947	1.7
79.05498	45.8
81.03416	19.2
81.07060	47.8
82.13761	2.0
83.01350	19.9
83.04988	24.8
83.08620	25.3
85.02866	6.1
85.06532	2.6
89.05975	5.0
91.05476	28.8
93.07043	64.7
95.04987	14.0
95.08613	41.7
97.02825	7.1
97.06554	11.8
97.10107	4.3
99.04390	6.9
103.05406	2.4
105.07026	23.3
107.04306	1.9
107.04954	22.8
107.08601	41.7
109.06514	12.2
109.10086	5.5
111.04434	10.4
111.08025	4.9
117.07023	17.4
119.08582	30.7
121.06494	10.0
121.10149	36.5
123.08064	10.8
125.05952	4.0
125.09565	3.2
129.06964	3.0
130.07706	5.1
131.08478	8.1
133.08495	2.1
133.10129	14.1
135.07983	4.1
135.11694	49.4
137.09552	2.3
139.07465	3.2
142.07649	1.9
143.08539	2.7
143.32373	1.8
145.06375	2.0
145.10127	45.3
147.08057	3.6
147.11696	10.6
149.09508	3.9
153.12750	9.4
155.08498	3.2
157.10043	3.4
163.11189	95.7
173.09613	9.0
175.11044	5.2
181.12241	20.6
185.13153	2.2
188.07875	1.9
191.10535	5.2
199.41798	2.0
209.11728	20.6
214.67747	1.9
223.67133	2.0
227.12779	99.1
271.45340	1.8
283.15192	100.0
283.20291	6.3
283.23581	9.6
284.10278	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03944	6.0
55.01636	2.1
55.01876	27.3
55.05514	47.5
57.03442	46.3
57.07062	3.7
59.04996	6.6
67.05506	34.6
69.03421	2.9
69.07072	9.6
70.76511	3.5
71.05004	9.8
79.05499	41.4
81.03421	22.0
81.07061	39.8
83.01348	23.7
83.04982	29.7
83.08623	28.8
83.80923	1.3
85.02927	9.1
85.03356	1.6
85.06554	2.8
91.05487	31.0
93.07049	53.9
93.07645	3.0
95.04975	12.5
95.08610	30.0
97.02885	5.9
97.06548	10.1
97.10200	4.0
99.04456	4.4
103.05494	2.6
105.07035	22.5
107.04952	16.4
107.08597	28.0
109.06525	14.6
109.10167	15.2
111.04446	6.7
111.08058	3.3
115.05441	2.6
117.07018	17.3
119.08588	18.8
121.06520	7.2
121.10152	17.6
123.08089	17.1
125.05991	2.9
125.09621	2.5
128.06183	1.7
129.07011	3.8
130.07773	4.9
131.08586	9.1
133.06494	6.7
133.10156	3.9
135.08044	3.4
135.11707	28.0
137.09622	3.4
143.08557	3.2
145.06503	2.8
145.10130	33.7
147.08066	16.1
147.11670	3.0
149.09636	6.1
153.12746	11.3
155.08614	3.3
159.08058	2.5
163.11183	67.1
171.08052	6.6
173.09627	12.2
175.11154	4.8
181.12224	12.6
185.09630	2.5
187.11221	2.9
189.12741	11.9
191.10631	7.2
199.11209	4.4
201.12766	4.3
209.11731	19.8
213.12773	5.7
225.12823	1.5
227.12610	9.2
240.07793	2.3
241.08662	5.7
241.15962	7.1
269.08063	4.4
283.09641	5.5
283.15439	100.0
283.20389	41.7
284.10376	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	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03957	5.7
55.01634	1.6
55.01874	20.7
55.05514	35.7
57.03441	34.1
57.07062	2.5
59.04998	6.4
65.03931	1.5
67.05185	1.7
67.05509	23.9
69.03421	2.7
69.07067	8.3
69.16811	11.6
69.17149	2.0
71.01344	3.4
71.04996	8.8
75.17864	1.1
78.89419	1.1
79.05500	36.8
79.05968	1.9
81.03422	19.3
81.06597	1.9
81.07059	33.1
83.01344	21.7
83.04498	1.5
83.04987	27.4
83.08160	1.9
83.08623	26.3
85.02908	5.5
85.06546	2.1
86.48352	1.3
89.06021	4.2
91.05484	24.0
91.23650	1.1
93.07046	48.3
93.41459	1.1
95.04977	12.9
95.08615	15.6
97.02892	3.1
97.06535	9.5
97.10162	3.0
98.21489	2.2
99.04469	5.6
103.05452	1.8
105.07032	17.1
107.04972	16.1
107.08598	25.5
109.06526	13.3
109.10165	3.7
109.59100	1.1
111.04465	6.1
111.08083	4.0
117.07018	13.9
119.08585	17.3
119.76752	1.2
121.06485	4.6
121.10140	15.0
123.07227	1.3
123.08078	18.7
125.05968	3.4
125.09605	4.1
129.07018	2.7
130.07800	4.0
131.08585	7.1
132.85255	1.0
133.08624	1.3
133.10152	4.5
135.04515	1.5
135.08022	5.6
135.11694	27.6
137.09581	3.0
138.13863	1.1
139.07628	1.3
139.11244	1.3
141.53070	1.0
143.08540	2.5
145.06392	1.1
145.10138	29.7
145.11302	1.5
147.08038	3.8
149.09625	2.1
151.11110	1.2
153.12709	7.6
155.08537	3.2
161.09659	1.2
163.11194	58.7
168.60251	1.1
171.91586	1.0
173.09628	7.9
181.12256	9.7
191.10677	7.4
209.11714	22.2
219.53879	1.1
227.12773	13.1
283.15408	100.0
283.24014	2.5
284.10495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
53.03945	1.0
55.01875	4.5
55.05514	9.2
57.03439	6.0
57.07068	1.2
59.04992	0.8
65.03946	0.6
67.00690	0.5
67.05508	10.1
67.96594	0.5
68.93735	0.5
69.03439	0.5
69.07066	3.0
71.04986	1.2
71.25787	0.9
75.56896	0.5
79.05489	6.6
81.03425	2.7
81.07063	8.5
83.01338	3.9
83.04985	3.9
83.08237	0.5
83.08627	6.0
85.02918	1.4
89.06059	0.9
90.35661	0.5
91.05486	5.6
93.07043	9.1
95.04964	2.0
95.08612	30.6
96.45582	0.5
97.02887	0.9
97.06520	1.9
97.10181	1.2
99.04412	0.8
103.05503	0.6
105.07027	5.6
107.04977	4.3
107.08591	4.4
109.06521	2.6
109.10165	28.8
111.04430	0.7
111.08079	1.1
112.57378	0.5
115.05419	0.7
117.07036	3.8
119.08556	4.2
121.02798	0.6
121.06506	6.0
121.10167	3.3
123.08055	2.6
125.06006	0.6
128.06210	1.1
129.06998	1.6
130.07777	0.7
131.08568	2.2
133.06499	15.6
133.10123	1.0
135.08099	1.3
135.11684	4.4
137.09654	0.7
143.08485	1.2
145.06479	2.8
145.10132	5.2
147.08052	24.3
147.09232	1.2
147.11723	4.3
149.09630	12.7
153.07086	0.7
153.12788	1.8
154.11685	0.6
156.01767	0.5
157.06479	3.0
157.07657	1.4
157.10132	0.6
158.07266	0.7
159.08107	4.5
163.11192	18.6
170.07304	0.9
171.08060	8.4
172.08817	2.2
173.09653	3.5
175.11186	17.6
177.12726	0.8
179.08641	0.5
181.10110	1.1
181.12262	1.5
183.08073	1.1
183.11748	0.7
184.08875	0.9
185.09628	8.7
186.10423	1.6
187.11201	8.0
189.12750	33.4
191.10687	1.0
193.10069	0.7
195.11711	0.6
197.09608	1.8
198.06700	0.7
198.10480	2.2
199.11198	7.4
201.12740	9.7
209.11678	3.3
211.11217	2.8
213.12778	10.8
215.14333	1.1
223.14746	0.7
225.12793	4.1
226.06317	1.1
227.12425	0.7
227.14462	5.7
239.14331	2.3
240.07924	0.8
240.15132	2.4
241.08594	4.0
241.15918	14.3
253.15988	2.6
254.16734	2.1
255.17281	1.3
268.18280	2.2
269.08206	2.3
283.09607	1.3
283.15833	14.3
283.20569	100.0
284.10501	3.6
284.21011	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
52.28478	0.6
53.03957	0.7
55.05505	4.1
57.07071	0.9
67.05512	9.8
69.07074	3.3
79.05495	2.0
81.03423	0.8
81.07069	4.9
83.04978	0.8
83.08619	3.1
87.97189	0.6
89.06031	1.6
91.05486	3.1
93.07056	2.2
95.04934	0.7
95.08614	29.2
97.10175	1.1
105.07053	3.1
107.04946	2.3
107.08592	1.7
109.06514	1.1
109.10165	28.5
115.05455	1.0
117.07014	1.7
119.08577	2.7
121.02830	0.9
121.06528	4.5
121.10170	2.5
123.11691	0.7
129.07024	1.6
131.08566	1.9
131.72876	0.6
133.05493	0.8
133.06497	15.7
133.10107	0.7
135.11681	1.0
142.07782	0.7
143.08524	1.0
145.06476	2.2
145.10124	1.9
147.08052	26.1
147.11710	3.9
149.09621	11.8
156.00305	0.6
157.06477	4.1
157.07594	1.0
157.10220	0.9
159.08046	6.0
163.11185	10.9
166.69370	0.7
171.08084	6.9
171.11687	0.6
172.08836	1.9
173.09645	2.1
173.13213	0.9
175.11194	18.5
179.08548	0.7
181.10161	1.3
183.08073	0.8
184.08821	0.9
185.09619	9.2
186.10439	0.9
187.11189	9.0
189.12759	33.5
193.10204	0.7
195.11674	0.7
195.80078	0.6
196.08757	0.7
197.09604	1.5
197.13336	1.7
198.10469	1.8
199.11201	8.9
201.10890	0.8
201.12741	11.6
207.11603	0.6
211.11166	2.9
212.11975	1.0
213.12743	10.5
214.13577	0.7
215.14313	1.7
223.14841	1.2
225.12767	2.6
226.06403	0.9
226.85417	0.7
227.14383	5.7
239.14316	2.4
240.07776	1.2
240.15111	2.8
241.08612	3.1
241.15927	14.0
253.15869	2.8
254.16574	0.8
265.19568	1.2
268.18149	1.6
269.08112	2.2
283.09845	3.3
283.20581	100.0
283.28375	1.8
284.10391	5.7
284.20782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
55.05511	7.2
55.94535	0.5
56.96586	0.8
57.03447	3.0
57.07079	2.5
59.05005	0.6
67.05506	9.3
69.03430	1.2
69.07066	4.5
69.35021	1.8
69.35435	3.6
71.04982	1.5
79.05490	4.1
81.03414	1.7
81.07059	11.0
83.01341	1.3
83.04974	3.0
83.08631	4.1
85.02898	1.5
85.06542	1.0
89.06037	0.9
91.05457	4.2
93.07058	7.1
95.04975	2.0
95.08611	20.1
97.02885	0.7
97.06528	1.4
97.10168	2.4
98.97559	1.3
98.98499	0.6
99.04473	1.1
100.07607	0.7
103.05403	0.8
105.07054	4.4
107.04958	2.0
107.08593	4.6
109.06521	2.0
109.10159	9.0
111.04450	1.3
111.08084	0.9
117.07015	1.5
119.08563	3.8
121.02868	1.5
121.06522	2.3
121.10116	4.0
123.08076	1.4
123.11745	1.6
128.06252	1.3
129.07005	1.4
131.08563	2.6
133.06503	4.3
133.10146	1.7
135.08087	1.1
135.11740	3.4
137.06006	0.7
141.07013	0.9
143.08569	3.0
145.06496	2.9
145.10112	3.7
147.08081	5.6
147.11670	1.8
149.05968	0.7
149.09605	3.3
149.13271	0.7
155.08556	1.9
156.13806	2.0
157.06499	16.6
157.10155	1.7
158.07243	0.7
159.08054	4.6
159.11690	1.6
161.09621	1.2
161.54092	0.6
163.03975	0.7
163.11159	5.7
165.06937	1.4
167.08531	1.4
169.06522	0.9
169.10109	0.8
171.08060	98.2
172.08665	0.9
173.09613	2.6
175.11205	7.1
181.10144	1.2
181.12198	1.4
182.11046	0.7
182.15323	1.4
183.08055	2.7
184.08864	3.4
184.13368	2.1
185.09621	7.6
185.13251	0.8
187.11208	7.0
187.14714	1.0
189.12729	4.8
194.10825	0.8
195.08061	0.9
195.11877	0.7
196.62650	0.8
197.05933	0.8
197.09599	2.3
197.13249	1.1
198.10431	15.0
199.11200	21.5
201.12729	5.7
209.11705	1.1
210.14861	2.3
211.11186	1.7
213.12749	100.0
214.13029	0.9
215.14127	0.9
223.07573	0.9
225.05408	1.1
225.12794	4.0
227.12436	1.1
227.14487	4.1
233.11630	0.8
239.14429	1.1
240.07819	3.3
240.15048	2.0
241.08679	1.6
241.15894	50.3
247.24403	0.6
255.10153	0.6
265.25378	0.7
268.07205	3.8
269.07971	1.2
283.06320	0.9
283.09634	10.8
283.15677	6.3
283.20569	66.2
283.23877	2.6
283.71451	0.8
284.10406	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	283.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01875	2.1
55.05272	1.2
55.05517	15.7
57.03447	5.5
57.07083	3.4
59.05023	0.9
65.03951	1.8
66.14207	0.5
67.05512	45.5
69.03429	1.0
69.07076	21.8
69.52200	2.4
69.52614	1.8
71.05003	11.3
71.08632	1.0
75.87465	0.6
79.05495	12.8
81.03425	2.9
81.07063	55.6
83.01340	2.0
83.05001	3.8
83.08629	11.4
85.02908	1.3
85.06551	4.8
85.10252	0.6
89.06038	1.4
91.05479	5.5
93.07056	19.9
95.04977	2.9
95.08617	100.0
97.02926	1.0
97.06548	2.5
97.10181	4.2
98.21603	0.7
98.97607	1.2
99.08112	5.6
101.06104	0.7
102.29897	0.7
105.07047	5.5
106.03143	0.6
107.04956	2.3
107.08609	9.8
109.06519	4.8
109.10168	23.3
111.04456	1.2
111.08126	1.5
111.11731	2.4
113.09650	26.4
116.98643	1.0
117.07034	2.5
119.08616	3.6
121.02927	1.0
121.06526	1.5
121.10162	12.2
123.08078	1.9
123.11726	9.3
125.09656	1.3
127.03927	0.7
129.07031	1.3
131.08594	2.0
133.10149	1.1
135.08037	0.9
135.11691	11.3
137.06030	1.4
137.13261	3.6
139.11227	0.7
141.09084	0.8
142.07837	0.8
143.08606	1.5
145.06473	1.1
145.10136	6.9
147.08023	1.3
147.11723	1.4
149.13283	4.2
151.14848	2.2
153.07065	1.2
153.12794	1.2
155.08546	1.6
157.10143	1.7
159.11711	1.1
163.11226	7.5
163.14839	4.4
165.07051	1.1
165.16444	1.2
169.10120	1.3
170.07253	1.2
171.08089	2.8
171.11713	1.0
173.09679	2.1
173.13318	0.8
175.11180	1.0
177.12892	0.7
177.16405	1.9
181.06500	3.1
181.12288	1.5
185.09624	0.7
185.13234	0.8
187.11150	3.2
189.12798	1.1
191.10718	1.9
191.17963	1.2
195.08118	0.8
195.11673	1.2
197.05960	4.4
198.06839	3.3
199.11220	1.2
199.14838	0.6
205.12386	1.2
209.06018	1.4
209.11790	2.7
210.06831	3.0
211.07526	1.3
212.08244	0.9
213.09180	2.0
213.12761	2.9
215.10661	1.9
224.08374	1.1
225.05470	1.5
226.06271	8.0
227.07018	1.0
227.12807	2.6
233.11765	1.3
240.07866	4.4
241.08611	27.1
241.16006	1.4
244.99861	0.8
247.24278	3.9
251.12927	0.8
255.10172	2.6
255.21082	0.9
265.19516	2.1
265.25342	6.4
268.07410	2.4
269.08115	19.0
270.59433	0.6
283.09613	10.3
283.15234	8.4
283.20361	8.6
283.26489	4.8
284.10461	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	284.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05472	1.4
53.03931	5.8
55.01855	7.4
55.05507	2.9
57.03425	4.8
59.00830	1.6
61.02925	8.6
67.05477	1.8
68.99786	3.8
69.03429	33.2
69.07053	3.0
69.61571	9.5
69.61974	3.2
71.04984	6.0
73.02914	10.7
76.03996	3.5
79.05454	1.8
80.05851	1.6
81.03419	27.1
81.07039	4.2
85.02909	92.8
87.00323	2.7
87.00833	38.4
91.03944	4.2
93.07027	3.6
95.08611	4.4
97.02897	53.7
98.20805	3.5
98.97572	1.7
99.04466	19.9
105.01202	3.6
105.01871	57.3
105.07002	3.1
108.04475	8.9
109.02888	27.0
109.10126	2.0
117.01816	4.8
121.71935	1.8
126.05504	4.6
127.03924	100.0
129.01860	5.0
145.04968	76.5
150.67848	1.9
159.02895	24.7
170.07159	2.1
181.06471	4.2
198.06775	5.0
210.06796	2.9
213.03928	4.4
226.06201	8.9
227.07326	1.9
230.06708	3.3
231.05011	30.3
240.07877	2.7
241.08556	38.0
245.17494	1.8
248.07718	5.6
249.06026	9.1
253.08617	2.7
269.08078	24.1
284.10312	60.4
284.20944	7.3
284.29501	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	284.0993
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01859	0.2
56.96296	0.2
56.96568	2.7
57.03432	0.7
61.02917	0.3
69.03416	0.4
69.52228	1.0
70.06575	0.2
73.02902	0.5
79.05499	1.6
80.20811	0.1
81.07055	0.8
84.96010	0.2
85.02893	0.8
89.03901	0.2
91.05476	0.4
91.31799	0.2
95.08594	0.3
97.02915	0.4
98.97581	2.9
101.00898	0.2
102.96839	0.2
104.52689	0.1
106.00502	0.2
107.08604	0.7
109.05141	0.4
109.06523	0.6
110.03542	2.3
110.97581	0.5
116.98618	1.2
119.01903	0.4
124.01508	0.2
127.00714	0.2
127.03864	0.1
128.02353	0.2
128.04570	0.5
128.98666	0.2
135.03029	6.2
137.05983	2.4
138.06334	0.2
140.98595	0.2
143.00159	0.3
143.01918	0.3
152.05679	100.0
153.04074	4.4
153.05980	0.2
155.00201	0.2
156.07036	0.3
158.99690	0.6
161.01277	0.3
161.02867	0.4
162.99031	0.2
163.03906	0.4
170.99666	0.3
172.05687	0.4
177.00870	0.3
177.02278	0.2
180.04156	0.5
181.06226	0.2
197.01161	0.2
198.01552	0.4
198.04971	0.2
201.00743	0.4
207.05099	0.2
213.00693	0.2
216.02492	0.2
219.01726	0.5
224.03123	0.2
231.01778	0.2
237.02675	0.3
241.03931	0.2
242.04265	0.8
260.05215	0.4
260.96057	0.1
260.99725	0.4
261.03040	0.8
274.56943	0.2
275.07959	0.2
277.86844	0.2
279.00690	0.5
279.88977	0.1
284.05289	0.5
284.10330	0.5
304.80783	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	284.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76487	0.1
70.43882	0.4
70.49222	0.1
85.02907	0.3
97.74573	0.1
98.21510	0.1
112.25642	0.1
152.06216	0.4
153.07010	2.2
155.04890	0.1
155.08585	0.3
157.06442	0.1
165.07034	0.6
167.08521	0.3
168.05811	0.2
169.06494	0.4
170.07256	1.3
171.08049	0.2
176.03955	0.1
177.07079	0.1
180.05711	0.8
181.06490	8.5
182.07280	1.4
183.04483	0.5
183.08102	1.2
184.05301	0.6
185.09610	0.5
195.04500	0.1
195.08017	0.8
196.05177	0.4
197.05984	8.2
198.06772	11.6
199.07542	0.2
208.05247	1.0
209.05983	2.0
210.06767	9.9
211.03995	0.6
211.07509	1.7
212.04727	0.6
212.08281	0.5
213.09108	5.0
220.68890	0.1
223.07561	1.6
224.08264	1.4
224.90782	0.1
225.05515	2.2
225.08942	0.3
226.06256	21.2
227.07059	2.1
236.04691	0.4
237.05133	0.1
238.06248	0.3
239.06990	0.5
240.04178	0.2
240.07834	5.3
241.08600	76.1
242.08968	0.4
251.07225	0.6
254.05879	0.6
254.09361	1.0
255.06485	0.3
255.10063	0.1
268.07321	0.3
269.08093	52.0
270.08606	0.5
284.10437	100.0
285.11057	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55680	0.2
60.85859	0.2
62.25898	0.2
64.83011	0.2
72.38171	0.2
72.86971	0.2
85.02898	0.2
98.20782	0.8
125.73629	0.2
139.46132	0.2
152.06264	0.4
153.06989	2.5
155.08577	0.3
165.07048	0.5
169.06482	0.2
170.07237	1.4
180.05725	0.7
181.06479	8.8
182.07304	1.5
183.04427	0.4
183.08009	1.6
184.05196	0.7
185.09525	0.3
193.06464	0.2
195.08069	1.1
196.05208	0.2
197.05975	8.7
198.06766	11.5
199.07590	0.3
208.05237	1.0
209.05962	1.9
210.06754	10.5
211.03877	0.7
211.07436	1.8
212.04706	0.7
212.08296	0.3
213.09111	5.7
223.07509	1.8
224.08287	1.5
225.05431	2.3
225.08954	0.4
226.06247	21.5
227.07016	2.5
236.04637	0.7
237.05386	0.3
238.06323	0.3
239.07047	0.5
240.07834	5.5
241.08589	71.3
242.09021	0.6
251.06972	0.7
253.08641	0.3
254.05811	0.9
254.09299	0.8
255.06554	0.4
268.07428	0.4
269.08078	52.8
270.08594	0.6
284.10425	100.0
285.11047	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	284.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.1
56.04183	0.6
56.05038	4.9
56.68634	0.6
56.89127	0.5
57.03426	1.4
59.02081	0.5
67.05507	2.0
69.03436	1.7
69.65482	1.8
69.65887	1.6
70.06598	77.5
71.06930	0.5
72.08152	0.8
73.02894	0.8
74.06071	1.7
79.05495	1.9
80.32376	0.7
81.03413	2.1
81.07054	2.5
82.06589	1.4
84.04503	5.1
84.08115	0.9
85.02899	2.5
86.06079	1.3
86.09689	2.3
91.05497	3.8
93.03429	0.8
93.07047	4.2
94.06578	0.8
95.04976	10.2
97.02880	2.1
98.06059	0.8
100.07632	5.1
102.05551	3.4
103.03931	1.4
105.07014	1.0
107.04986	0.9
108.08106	1.7
109.02902	3.8
109.06538	1.8
110.06032	0.9
111.08072	1.6
112.07612	61.0
116.07102	1.5
118.06522	0.7
120.08138	1.3
121.02860	1.3
121.06508	7.2
122.03246	0.9
122.06024	0.9
124.03907	0.8
124.07552	0.8
127.03912	0.9
130.05013	6.9
132.08096	1.2
134.09616	1.3
135.57890	0.6
136.07545	2.1
137.05978	2.7
137.08350	2.0
139.07536	0.7
140.07076	21.7
146.09654	0.8
147.04390	1.1
148.07581	0.9
150.09161	4.2
152.05772	1.1
152.07079	1.7
154.08643	3.0
158.08095	3.8
164.07079	2.7
164.10739	7.5
166.08656	1.8
174.09183	1.2
176.10701	2.6
178.08659	7.4
182.08163	1.7
192.10205	3.6
194.11771	21.0
194.13550	1.1
196.09741	3.0
199.57243	0.6
206.08128	12.1
210.11349	1.1
215.02283	0.6
216.02614	1.1
218.08104	1.9
220.09676	2.6
222.07707	1.7
222.11229	1.5
238.10760	21.0
238.13158	1.2
240.08777	3.7
240.12306	3.8
248.09331	0.7
266.10379	3.3
269.07986	0.9
283.63190	1.1
284.11282	100.0
284.29474	2.3
285.11417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1121
Annotation	Batatasin I
Peak:m/z	Relative Intensity
55.01736	0.7
55.01960	0.8
55.05605	0.7
58.95126	0.4
66.34368	0.4
67.05608	1.0
69.03172	0.9
69.03574	1.7
69.55047	0.5
70.06733	2.0
70.47498	1.3
71.05081	0.7
73.03020	0.8
75.82037	0.5
79.05646	2.0
81.03576	1.5
81.06773	0.5
81.07189	1.2
83.05110	1.4
83.37156	0.4
84.04605	0.6
84.07833	0.5
84.08276	1.1
85.03056	1.4
86.09808	0.4
89.04045	0.5
91.05646	2.6
93.07215	1.7
95.05140	1.7
95.08769	1.6
95.86767	0.4
97.03034	2.1
99.04575	1.0
103.04066	0.9
103.05594	1.0
105.07204	5.5
107.05086	1.1
108.01476	0.4
109.06614	1.0
110.07279	0.5
110.33465	0.4
115.05629	1.3
117.03510	0.8
117.07158	1.1
119.04314	0.4
119.05107	1.7
119.08739	1.3
120.08313	0.5
121.02914	0.5
121.06676	3.9
123.08222	2.5
125.00117	0.5
127.04043	0.9
128.06361	0.6
129.07140	0.9
129.10399	1.5
131.05106	0.9
131.08727	0.5
133.06506	2.9
135.04536	0.9
135.08234	1.3
137.05988	3.6
141.09279	2.0
145.02876	0.6
145.05110	0.5
145.06645	1.0
145.10313	0.6
146.03787	2.3
147.04427	3.7
147.08212	1.5
149.06097	0.8
151.07660	0.8
153.05838	1.0
153.07175	2.0
153.09171	0.6
154.07774	2.0
161.05980	15.2
161.09703	0.7
162.06812	0.5
163.03900	4.8
163.07661	0.9
164.07211	1.2
165.06999	23.6
165.09288	1.4
167.08679	1.0
171.08170	1.3
174.83237	0.5
177.05656	0.7
177.07016	0.8
177.09239	1.3
178.07880	0.6
179.08734	1.0
181.06467	4.1
182.07257	8.2
183.08153	0.9
187.07722	0.5
189.09067	0.7
191.07089	0.8
192.05676	0.8
193.06491	21.2
194.07306	2.1
195.08112	0.6
196.05276	0.6
197.09654	1.1
203.10756	0.8
207.10243	1.4
209.06068	1.3
210.06764	16.2
211.07576	2.9
211.09424	0.6
213.09100	0.6
216.60083	0.5
219.10172	1.3
221.05975	29.2
222.06839	1.9
224.08322	0.8
225.09103	35.9
227.06902	2.2
231.10229	1.1
237.03012	0.7
237.05470	1.0
238.06264	7.7
239.07030	2.9
241.08467	0.6
242.05719	0.8
242.09071	1.9
249.11238	1.5
249.15007	0.4
253.08601	100.0
254.09334	6.6
255.06500	1.7
267.12399	1.0
269.08060	0.6
270.08762	4.7
285.07693	2.7
285.11115	51.1
285.29852	0.5
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
50.68035	1.4
53.03937	3.7
55.01870	3.4
55.05515	7.2
57.03421	6.4
67.05510	16.0
69.03416	6.0
69.07059	4.8
70.06580	4.3
71.04984	1.7
71.52631	1.8
72.08155	1.6
79.05498	15.1
81.03423	100.0
81.07066	22.3
83.04970	6.0
83.08626	20.4
85.02908	3.8
91.05488	20.1
93.07049	12.7
95.04973	29.4
95.08625	10.1
97.02899	4.9
97.06512	3.1
97.10147	1.5
100.11299	1.9
105.07045	16.6
107.04959	7.6
107.08604	10.5
109.06506	4.0
109.10146	4.4
111.04478	2.9
111.08083	13.2
115.05431	3.0
116.07067	2.8
116.38422	1.3
117.07004	3.5
119.04994	1.7
119.08598	14.3
121.06482	5.2
121.10148	11.3
123.04420	2.6
123.08085	5.2
123.11740	2.8
125.06042	1.8
125.91009	1.4
128.06226	1.8
129.07050	8.6
131.08559	9.2
133.06480	4.5
133.10127	7.0
135.11711	4.4
137.06021	2.7
137.09586	1.5
139.07529	2.2
142.07782	2.6
143.08531	2.0
145.10164	2.9
147.04411	2.4
147.08076	4.4
147.11702	7.6
149.05988	1.4
149.09644	5.1
151.07639	1.8
153.07021	2.1
153.12888	1.6
157.10120	12.5
161.05995	7.5
161.09622	1.8
165.07053	8.2
165.12738	2.2
173.09584	1.8
175.11197	11.2
181.06464	2.6
182.07227	3.2
193.06563	4.6
193.12267	51.1
210.06767	5.1
211.07478	4.7
211.13255	7.5
213.12756	2.1
219.13759	3.1
221.05952	5.5
225.09109	13.5
227.06998	2.9
231.13945	3.4
239.06955	5.3
239.10696	5.2
241.08592	3.9
242.05716	2.9
242.09116	5.9
249.14868	4.5
253.08670	19.1
254.09406	9.3
255.06506	2.5
257.08133	1.9
257.12042	1.6
267.10205	1.9
267.15930	19.5
270.05670	2.5
270.08621	8.8
285.04034	5.6
285.07620	10.8
285.11139	44.4
285.16568	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.8
55.01857	5.3
55.05276	2.0
55.05512	24.0
57.03440	42.3
57.07062	2.6
67.03463	1.8
67.05192	2.0
67.05506	33.8
69.03405	5.6
69.07072	9.8
71.04984	10.6
79.05499	33.3
81.03419	77.1
81.07061	49.6
83.04982	17.3
83.08621	29.0
85.02905	72.4
85.06541	2.8
86.10937	1.9
89.95222	1.7
91.05482	40.3
93.06593	2.3
93.07047	24.3
95.04971	33.2
95.08157	1.6
95.08609	15.3
95.67385	2.3
97.02847	3.8
97.06499	5.9
97.10138	5.2
105.07034	31.4
107.04942	6.3
107.08587	11.0
109.06494	7.0
109.10113	7.0
109.88104	1.7
111.04426	2.7
111.08080	23.4
113.05976	6.4
115.05443	2.7
117.06960	2.0
119.08585	26.9
121.06429	2.0
121.10157	16.7
123.08062	3.5
123.11658	6.0
129.07005	12.4
131.08568	13.6
133.06442	3.9
133.10132	15.3
135.04410	23.3
137.09615	3.5
142.07764	4.2
145.10075	5.5
147.07986	4.4
147.10527	2.9
147.11688	56.0
149.09641	9.8
151.11195	2.2
157.10150	21.6
165.12741	6.2
169.10132	1.9
171.11635	3.3
173.13158	1.7
175.11174	26.6
181.06424	3.1
182.07111	2.0
189.12494	2.0
193.12250	100.0
198.06322	2.6
210.06769	3.2
211.07558	16.5
211.13295	86.2
211.15302	4.2
225.09099	9.7
227.06819	10.7
229.28989	2.6
235.19183	1.9
239.07019	12.9
241.08333	3.2
242.05713	7.1
242.08984	15.6
253.08556	7.9
254.09433	28.7
255.06439	6.6
267.15863	4.4
270.05356	3.0
270.08588	19.9
285.07535	24.6
285.10980	74.1
285.16879	85.8
285.21509	12.7
285.29865	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
53.60045	1.6
55.01855	5.4
55.05514	24.8
57.03441	50.8
57.07064	4.3
60.08150	6.0
62.00885	2.0
63.00018	2.8
67.05511	43.4
69.03407	5.3
69.07075	12.0
69.23776	1.9
71.04997	8.8
71.52408	2.0
71.52800	2.2
74.93150	1.6
76.22905	2.2
79.05071	2.8
79.05493	36.0
81.03423	82.6
81.06606	3.0
81.07061	54.1
83.04988	20.5
83.08621	28.5
85.02908	88.9
85.06520	4.1
91.05490	46.4
93.07044	32.0
95.04385	2.5
95.04969	38.0
95.08609	27.6
97.02888	4.2
97.06519	6.8
97.10139	5.2
99.08073	2.4
105.07037	36.2
107.04953	9.1
107.08589	13.8
108.98738	1.9
109.06516	11.3
109.10171	9.4
111.04430	3.7
111.07368	2.5
111.08086	24.5
113.05984	6.6
117.06997	2.5
119.04958	1.6
119.08595	31.0
121.06492	2.2
121.10139	19.6
123.08022	6.0
123.11678	4.9
124.13145	1.8
127.07475	2.3
129.06973	13.1
131.08592	15.7
133.06490	5.4
133.10150	19.2
135.11700	2.1
137.09599	1.9
142.07742	5.1
145.10106	3.9
147.08014	4.0
147.11707	26.0
149.09645	9.5
157.10109	21.5
162.24919	2.0
165.07037	2.0
165.12747	6.5
169.10069	4.3
175.11183	29.2
177.16354	3.3
181.06473	2.5
182.07114	2.4
189.12636	2.2
189.16359	2.3
193.12257	100.0
198.06439	2.3
201.16397	2.6
211.07600	12.1
211.13301	82.1
211.15285	4.2
211.91231	1.6
225.09053	11.0
227.06799	7.8
239.07021	12.2
239.17992	2.7
241.08708	3.5
242.05893	8.9
242.08957	15.2
253.08553	6.3
254.09396	30.3
255.06639	8.6
267.15869	3.2
270.05444	3.5
270.08630	20.5
284.32990	8.4
285.07535	27.9
285.10995	66.3
285.16904	98.3
285.21997	6.0
285.25504	14.2
285.28754	2.1
285.30112	2.8
285.33405	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	285.1698
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
51.59275	2.0
53.03934	3.1
55.01855	4.2
55.05522	18.3
57.03437	43.5
57.07070	1.7
57.82882	1.6
62.88031	2.1
65.03503	1.5
65.03921	2.2
67.05505	38.0
69.03404	3.7
69.07051	7.9
69.46348	10.8
71.05003	9.2
79.05495	31.7
81.03423	74.0
81.07059	42.9
83.04990	15.8
83.08619	31.8
85.02907	73.2
85.06526	3.4
91.05478	40.4
93.06577	1.8
93.07059	22.4
95.04979	33.7
95.08604	18.5
97.02879	5.1
97.06527	6.6
97.10162	3.4
105.07026	30.1
107.04947	6.3
107.08612	10.8
109.06495	6.3
109.10158	3.9
111.04463	4.1
111.08085	20.0
113.06008	6.6
115.05346	1.8
119.08577	25.4
121.06522	2.3
121.10155	14.1
123.08075	3.0
123.11659	4.1
125.09614	2.9
127.07592	1.9
129.07011	11.8
131.08571	14.7
133.06454	3.3
133.10129	17.9
135.11681	2.5
137.09612	3.3
142.07773	2.8
145.10152	2.0
147.08034	5.4
147.11690	26.4
148.69777	1.8
149.09633	9.1
150.05467	1.9
157.10107	16.4
163.11214	2.3
165.12788	4.3
175.11192	26.2
193.12260	85.7
211.07545	5.0
211.13293	67.5
225.09184	5.0
227.06812	3.1
239.07007	5.3
241.08432	3.2
242.05751	5.4
242.08936	6.6
254.09479	10.6
255.06256	2.6
267.15875	3.4
270.05420	3.9
270.08621	8.1
285.07559	23.1
285.11017	22.6
285.16953	100.0
285.22153	5.1
285.33334	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
55.01867	3.8
55.05280	2.2
55.05517	27.6
57.03441	47.8
57.07068	4.6
59.05009	1.6
65.03928	2.2
67.05193	2.3
67.05511	35.0
69.03420	5.2
69.07071	12.8
71.04982	8.4
73.98599	1.5
79.05502	32.8
81.02934	2.3
81.03422	70.6
81.07060	47.1
83.04984	19.3
83.08622	32.6
85.02913	77.2
91.05489	46.9
93.07047	27.8
95.04979	33.3
95.08622	15.8
97.02902	4.7
97.06535	8.4
97.10185	8.5
98.20712	3.4
99.08065	1.9
103.45302	1.9
105.06405	2.6
105.07043	33.0
107.04987	7.9
107.08597	12.7
109.06516	6.6
109.10157	5.8
111.04443	4.6
111.08099	17.2
113.05995	6.8
115.05453	2.0
117.06980	2.2
119.08587	25.1
121.06483	3.9
121.10149	16.0
123.08061	4.0
123.11723	4.1
129.07022	13.1
131.08563	14.7
133.06499	5.9
133.10173	15.1
135.11716	1.7
137.09592	2.5
140.38976	1.7
141.64319	1.8
142.07741	3.9
145.06451	3.3
147.08028	8.7
147.11710	23.1
149.09645	9.1
151.75725	1.6
157.10138	23.4
159.08047	5.5
161.09651	2.2
163.11237	3.0
165.12785	6.0
173.09578	1.6
175.11197	36.5
179.94096	1.8
187.11150	2.9
189.12755	20.7
191.34685	1.6
193.12260	99.7
201.12773	12.0
203.14279	2.9
211.07539	3.7
211.13301	73.8
214.00432	1.8
215.14307	5.1
225.09114	2.3
227.06816	2.7
229.15901	5.6
242.05763	4.9
242.08978	4.7
243.17468	3.1
254.09496	8.7
255.06528	2.7
267.16101	2.3
270.08633	7.0
285.07587	16.5
285.11130	17.3
285.16980	100.0
285.21677	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01871	5.3
55.05513	28.9
56.72403	1.5
57.03439	42.1
59.04990	1.9
65.03941	2.9
67.05511	43.2
69.03432	8.1
69.07072	13.8
70.35881	1.7
71.04999	14.0
71.11526	1.4
71.51482	2.2
73.85496	1.5
79.05500	44.2
81.03424	91.4
81.07065	65.6
81.07466	1.4
83.04990	23.2
83.08624	36.1
85.02909	76.0
85.06525	4.9
86.09706	2.7
87.10045	2.1
91.05489	53.2
93.07052	32.6
95.04973	39.1
95.08611	29.6
95.26900	2.3
97.02894	5.7
97.06530	8.3
97.10175	5.6
99.08084	4.8
103.39366	1.7
105.07037	41.8
107.04949	7.9
107.08611	16.7
109.06522	8.4
109.10162	9.3
111.04453	5.4
111.08086	22.6
113.06027	5.2
115.05454	2.1
117.06989	3.5
119.04940	2.0
119.07809	2.9
119.08593	32.1
121.06519	6.0
121.10158	22.6
123.04375	2.0
123.08084	5.9
123.11689	4.5
124.74614	1.5
125.06021	3.0
125.09647	2.6
127.07527	2.2
127.45017	1.7
129.07022	16.3
129.65166	1.7
131.08577	20.1
133.06509	7.2
133.10139	21.8
135.08041	3.6
136.13370	1.8
137.05978	3.1
137.09616	2.9
141.06963	1.8
142.07774	5.6
145.10159	6.0
146.03616	2.7
147.08051	5.9
147.11700	29.1
149.05971	6.4
149.09604	10.2
155.08594	3.2
157.10129	26.5
161.06000	7.5
163.07510	2.1
163.11194	2.1
165.07062	8.8
165.12756	6.2
169.10144	2.5
171.08032	2.4
175.07668	2.3
175.11191	30.5
179.08580	3.1
181.06541	2.9
182.07265	4.9
185.13249	2.5
187.07539	1.7
189.09160	7.2
189.16403	2.6
193.06508	6.1
193.12253	96.3
196.05234	7.3
199.03902	3.4
201.09167	4.0
209.06088	2.3
210.03195	2.9
210.06760	5.7
211.07599	3.9
211.13297	62.2
213.05577	2.1
221.05983	9.3
224.04697	6.5
224.08318	2.0
225.09114	18.9
227.03513	4.3
227.14320	1.8
228.04074	2.4
229.08583	9.7
238.06181	2.1
239.07059	16.9
242.05754	6.6
253.08641	30.0
254.09239	3.1
255.06459	2.4
256.03635	3.0
257.08136	3.6
267.13556	2.8
267.16113	10.3
270.08926	2.2
271.06100	4.6
285.04227	2.0
285.07587	47.3
285.11172	23.5
285.17224	100.0
285.22086	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03934	3.4
55.01861	2.8
55.05513	16.3
57.03441	39.8
57.07076	2.2
59.04992	1.9
67.05189	2.2
67.05511	35.0
69.03404	5.5
69.07072	10.5
69.33617	14.5
71.05009	9.4
79.05495	27.6
80.74774	1.8
81.03425	70.7
81.07058	47.7
83.04986	14.7
83.08626	25.2
85.02909	71.1
85.06546	4.0
91.05486	32.5
93.07053	24.6
95.04392	2.5
95.04968	29.8
95.08612	16.5
97.02908	4.7
97.06525	5.5
97.10145	4.1
105.07035	28.8
107.04932	8.2
107.08582	10.0
109.06505	7.9
109.10168	5.9
111.04447	3.3
111.08076	17.5
113.05979	6.3
115.05436	2.9
119.08587	27.0
121.10158	16.3
123.08050	4.0
123.11694	4.4
127.07539	2.0
129.06996	13.6
131.08594	14.1
133.10136	10.1
142.07785	3.1
145.10149	2.6
147.08040	2.5
147.11703	23.3
148.97508	2.0
149.09622	6.8
157.10164	19.7
165.12769	6.0
169.10010	2.4
175.11198	24.8
193.12263	100.0
211.07466	8.5
211.13309	73.2
225.09117	3.2
227.06758	4.5
239.07034	9.1
242.05708	8.3
242.08917	9.3
253.08514	4.2
254.09459	13.7
255.06477	4.0
267.15936	4.7
270.05334	4.3
270.08621	12.9
284.33179	3.8
285.07507	27.0
285.11005	29.5
285.16910	84.9
285.22104	10.0
285.33359	6.2
286.17386	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	285.185
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
55.05505	3.0
57.03431	1.1
57.07056	1.2
67.05512	5.2
69.03423	0.8
70.06580	0.7
70.10545	2.1
79.05523	1.7
81.03417	1.3
81.07066	3.8
83.04975	1.6
85.02902	1.5
85.06537	1.3
91.05476	2.0
93.07042	1.6
95.04970	1.8
95.08605	3.0
97.06541	8.9
98.98474	0.9
105.07027	1.7
107.04961	1.1
107.08543	1.1
109.10180	0.9
111.08087	11.6
113.06026	1.9
117.07000	1.6
119.08575	1.9
121.06497	2.5
121.10142	1.8
129.68379	0.6
131.08563	1.6
133.06482	4.5
133.10132	0.8
137.09616	0.9
145.06537	1.6
145.10083	0.8
147.08051	6.5
147.11690	1.1
149.09622	7.3
157.10083	1.0
159.08052	3.2
161.05911	1.0
163.11227	4.9
165.07007	0.7
169.10197	0.8
171.08064	1.9
171.82820	0.6
175.11224	4.7
181.06511	1.2
182.07146	1.2
183.07990	1.3
185.09619	1.7
187.07510	0.7
187.11237	2.6
189.12769	5.2
193.12198	1.0
195.08093	1.1
196.08694	1.0
197.09619	1.2
198.06410	1.2
199.07379	1.4
199.11244	1.3
201.09189	0.8
201.12758	5.2
209.06000	0.6
210.06638	0.9
211.07516	8.4
213.09126	1.0
213.12787	2.5
215.75803	0.7
225.09155	4.5
225.12660	4.0
226.06116	0.8
227.06895	5.8
227.10577	0.8
239.07082	5.9
241.08530	2.9
241.12245	0.7
242.05833	2.4
242.09004	8.7
242.13080	1.1
243.13811	3.4
253.08688	3.4
254.09415	16.3
255.06566	3.5
255.13817	14.9
256.14526	0.9
267.17401	1.1
270.05255	1.9
270.08643	10.7
270.16174	14.9
285.04385	0.8
285.07639	11.6
285.11087	36.4
285.18509	100.0
285.29730	6.2
286.31082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
53.91948	0.2
55.05512	1.2
55.37713	0.1
56.71043	0.2
57.07074	0.2
57.36862	0.2
61.71147	0.2
67.05515	1.7
69.07067	0.6
71.53078	0.2
79.05489	0.9
81.03398	0.2
81.07052	1.3
83.08623	0.3
85.06531	0.2
91.05476	1.2
93.07046	1.1
95.08609	1.9
97.10191	0.3
98.98496	0.2
105.07034	3.0
105.20489	0.2
107.05012	0.2
107.08586	1.6
109.10173	0.9
115.05436	0.3
117.06952	1.0
119.08579	3.3
119.09378	0.3
121.10157	0.8
123.11707	0.4
128.06174	0.2
129.06996	0.4
130.07780	0.7
131.08592	1.6
132.09390	0.2
133.10139	3.5
142.07787	0.3
143.08580	0.5
144.09369	0.6
145.10115	4.5
146.10896	0.8
147.11688	100.0
148.12029	0.6
149.09610	0.3
151.11160	0.2
155.08604	0.3
156.09352	0.5
157.10130	1.2
158.10881	0.2
159.11681	2.4
161.13165	1.0
163.11253	0.4
164.98503	0.2
169.10126	0.9
170.10936	0.7
171.11725	1.7
173.13271	1.5
181.06427	0.3
181.10155	0.3
182.07378	0.2
182.10944	0.5
183.11658	0.9
184.12497	0.7
185.13260	1.9
187.14825	0.5
189.12755	0.5
195.11726	0.3
197.13283	2.1
198.14063	0.2
199.07266	0.2
199.14809	1.8
201.12717	0.4
209.13339	0.2
210.06810	0.2
210.14052	0.2
211.07556	1.2
211.14830	0.8
213.16394	0.6
225.09186	0.7
225.16380	0.2
227.06911	0.8
237.16339	1.4
239.06998	0.7
239.17825	0.2
241.08548	0.5
242.05786	0.9
242.09019	1.4
252.18745	1.7
253.08604	0.7
254.09373	2.6
255.06595	0.5
267.21100	1.9
270.05405	0.3
270.08618	1.5
285.07623	1.9
285.11102	5.7
285.22122	24.3
286.22549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
50.56978	4.3
55.05497	17.3
57.07061	5.1
63.69647	4.1
66.98150	3.7
67.05505	27.7
69.07075	63.3
71.04996	9.0
71.09911	4.1
71.53319	4.6
73.33667	3.8
79.05476	17.9
81.07060	40.2
83.08624	13.2
91.05478	36.0
93.07043	33.7
95.04974	10.9
95.08615	50.0
97.06525	26.4
105.07036	64.3
107.08610	50.3
109.06533	35.1
109.10165	30.2
111.08054	6.6
117.06991	9.2
119.08585	100.0
121.06518	14.5
121.10145	36.2
123.11689	24.4
125.21645	4.2
128.06215	7.5
131.08600	10.6
133.06505	4.6
133.10118	46.4
135.08063	12.2
135.11691	13.1
137.09598	6.7
143.08530	9.6
145.10152	21.3
146.07233	8.7
147.08002	4.9
147.11667	21.2
149.09563	5.3
150.05539	4.8
156.09273	6.8
157.10106	14.8
159.11758	5.6
161.09622	99.2
161.13210	6.7
169.10109	8.8
171.11688	9.0
173.13217	7.1
175.11229	4.6
175.14830	62.1
177.16356	14.0
183.11662	4.6
185.13246	11.9
193.12244	6.2
193.15913	12.3
196.12450	4.9
197.13229	12.0
211.07535	9.7
211.14842	16.5
225.09048	5.0
238.10303	5.5
239.07178	5.8
242.05699	13.4
242.09056	5.1
254.09482	13.5
267.21106	18.0
270.05234	9.7
270.08459	6.5
285.07559	55.0
285.11096	34.9
285.17084	6.7
285.22165	36.0
285.33350	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	285.2215
Annotation	3-Methoxyestra-1,3,5(10)-trien-16beta-ol
Peak:m/z	Relative Intensity
55.05515	33.3
57.03411	1.1
57.07065	2.9
60.12122	0.7
61.87314	0.8
63.08965	0.8
67.05505	1.9
69.07073	15.4
69.85403	4.0
71.08637	0.8
79.05479	2.0
81.03419	1.6
81.07040	2.9
83.08614	4.2
85.02906	1.4
90.57471	0.7
91.05485	3.9
93.07037	1.5
95.04962	1.0
95.08596	2.5
97.10178	77.2
98.21398	1.5
101.19670	0.8
105.07024	3.4
107.04967	1.8
107.08578	1.5
109.10173	2.4
111.11742	5.2
115.05532	0.9
119.08556	2.0
121.06512	1.6
121.10135	1.5
123.93769	0.7
129.06992	1.3
131.08548	1.0
133.06499	41.0
135.11696	0.8
136.43596	0.7
141.06909	0.7
143.06059	2.5
143.08487	1.2
145.06465	7.3
145.10165	1.3
146.07263	1.3
147.08051	22.7
147.11697	1.2
149.09602	2.7
150.05562	0.9
157.07625	1.9
157.47134	0.8
159.08051	5.6
161.09621	17.2
163.11194	4.6
171.09151	2.5
173.09641	3.4
175.11195	100.0
184.20445	0.8
187.11221	6.0
189.12755	43.4
193.12228	2.0
199.07324	0.9
201.12740	11.7
203.14340	23.1
210.06718	1.2
211.07527	4.0
211.13307	2.0
215.14328	2.6
225.09166	2.6
227.06880	1.8
229.15956	2.9
239.07101	2.7
241.08470	1.1
242.05780	3.6
242.08998	4.0
242.13144	1.2
243.17461	9.3
253.08640	2.2
253.16985	2.4
254.07047	1.1
254.09425	7.7
255.06645	1.8
270.05280	2.3
270.08621	4.8
285.07565	9.0
285.11063	12.7
285.16916	2.3
285.22131	58.1
285.33405	2.8
296.16702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	Pisiferin
Peak:m/z	Relative Intensity
51.07166	0.8
55.05513	10.8
57.03426	1.6
57.07072	3.1
67.05502	1.8
69.07073	16.3
71.52341	1.1
79.05499	2.3
81.03402	3.0
81.07056	2.8
83.04977	0.7
83.08625	8.1
85.02891	2.5
85.10174	1.6
90.83569	0.9
91.05477	2.0
92.13203	0.8
93.07027	2.7
95.04959	1.3
95.08601	2.6
97.10169	6.9
105.07043	3.4
107.04961	3.2
107.08603	1.3
108.25132	0.7
109.10159	2.0
111.08125	0.8
114.44099	0.8
115.05454	1.1
115.14997	0.7
117.07030	1.1
119.08592	2.4
121.06485	1.2
121.10184	1.2
123.11736	1.6
129.07042	1.5
131.08586	3.6
133.06496	9.0
135.04411	0.7
141.07027	2.5
144.05731	2.0
145.06502	13.9
145.10167	1.3
147.08055	27.2
147.11711	3.7
148.80464	0.8
149.09627	5.8
155.08580	2.1
157.06427	1.0
157.07619	3.0
158.07309	1.7
159.08073	25.2
161.09596	8.5
163.11177	2.0
169.07629	2.3
169.10075	1.9
172.08871	1.3
173.09651	11.3
175.11206	20.9
183.09229	1.1
185.09612	1.9
186.10411	3.5
187.11188	21.5
189.12756	100.0
189.37459	0.8
193.12253	3.4
199.11171	1.7
201.12762	78.1
203.14326	10.9
211.07527	3.0
211.13342	2.9
215.12288	1.4
215.14328	26.4
217.15857	1.0
225.09181	2.0
227.06892	1.2
227.14244	1.5
229.15895	31.6
239.06967	2.8
242.05783	3.1
242.08990	3.3
243.17445	13.6
253.08629	2.0
254.09421	5.8
255.06651	0.9
255.11363	3.3
270.05548	0.8
270.08655	3.9
285.07578	14.4
285.11075	14.7
285.16785	3.6
285.22144	85.3
285.33383	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	285.2214
Annotation	Pisiferin
Peak:m/z	Relative Intensity
55.01864	0.8
55.05515	20.1
55.88401	0.9
55.98122	0.8
56.96583	0.9
57.03433	1.5
57.07072	4.9
61.34830	0.7
63.00057	0.8
67.05485	3.0
69.07073	25.3
71.52628	1.0
71.68693	0.8
79.05487	2.6
81.03413	4.0
81.07079	5.1
83.05007	1.0
83.08170	0.8
83.08629	12.7
85.02885	2.7
85.10178	1.6
85.90529	0.7
91.05473	2.4
93.07021	2.8
95.04969	1.6
95.08601	3.7
97.06519	1.5
97.10178	11.9
105.07030	4.8
107.04962	5.3
107.08587	2.5
109.10162	2.6
111.11708	3.5
115.05414	1.6
117.07050	1.1
119.08566	3.0
121.06451	2.0
121.10149	2.2
123.08034	1.3
123.11725	6.6
123.22228	0.8
128.06174	1.2
129.06970	2.6
131.04929	1.9
131.08546	4.0
133.06499	17.6
133.10109	1.4
135.04370	1.8
135.08057	1.6
135.11696	1.4
137.13269	2.6
141.06995	4.0
143.08498	1.6
144.05669	2.8
145.06488	18.5
145.10133	2.2
147.08057	24.7
147.09239	1.2
147.11676	2.5
149.09628	45.0
155.08557	1.7
157.06487	1.3
157.07629	2.5
157.10150	1.9
158.07248	2.4
159.08061	27.3
159.11668	1.4
161.09624	12.8
161.22177	0.8
163.11172	4.4
165.07007	1.3
168.09372	0.8
169.07642	1.3
169.10219	1.7
172.08844	2.2
173.09619	12.3
173.13289	1.0
174.10193	0.8
175.11198	30.7
177.12738	4.0
181.06543	3.2
182.07118	3.6
183.11707	1.1
185.09615	1.3
186.10391	6.9
187.11171	24.8
189.12752	66.2
193.12286	3.9
196.05186	1.6
197.05894	1.2
198.06326	1.3
199.07300	2.3
199.11201	1.9
200.11913	1.3
201.12753	88.7
203.14330	15.0
210.06729	4.4
211.07527	14.9
211.13249	1.6
214.09682	1.8
215.14325	31.1
221.05917	1.1
225.09123	10.0
225.16241	1.3
226.06113	1.2
227.06892	9.3
227.14326	1.5
229.15887	19.8
239.07045	13.9
240.07796	0.8
241.08540	4.4
241.15956	1.0
242.05782	3.0
242.08986	16.0
242.16742	1.0
243.17465	22.1
253.08609	8.4
253.17032	1.5
254.09418	34.8
255.06580	7.2
269.08136	1.4
270.05490	1.2
270.08664	23.3
285.07635	15.3
285.11069	76.7
285.22122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
52.34863	0.2
53.03954	0.3
55.05516	1.0
57.03428	0.2
57.07067	0.2
59.41178	0.2
61.02927	0.3
63.26566	0.2
67.05502	1.9
69.07072	0.8
70.02348	0.8
79.05497	1.0
79.60188	0.2
81.07058	1.3
83.08628	0.5
85.02897	0.2
91.05490	1.5
93.07042	1.3
95.08614	1.8
97.02901	0.3
98.98438	0.3
103.05452	0.3
105.07037	2.6
105.12693	0.2
107.08590	1.4
109.10165	1.1
115.05400	0.3
117.07025	1.0
119.08590	2.9
121.10149	1.2
123.11744	0.3
126.49501	0.2
129.07005	0.4
130.07773	0.7
131.08574	1.4
132.09387	0.3
133.10135	3.0
135.11664	0.2
143.08565	0.5
144.09357	0.3
145.10133	4.3
145.93120	0.2
146.10931	0.5
147.11694	100.0
148.11942	0.2
155.08501	0.3
156.09290	0.4
157.10152	1.3
159.11702	1.9
161.13292	1.0
163.11189	0.4
164.98500	0.3
169.10123	0.7
170.10889	0.9
171.11685	1.8
173.13266	1.3
175.14813	0.2
182.10931	0.4
183.11751	0.7
184.12477	0.6
185.13292	1.6
187.14786	0.6
189.12683	0.4
195.11716	0.3
197.13243	1.9
198.14034	0.4
199.14799	1.7
201.16385	0.3
206.99515	0.3
209.13277	0.5
210.13953	0.5
211.07494	1.2
211.14806	0.7
223.14850	0.3
225.09029	0.7
225.16481	0.4
227.06873	0.8
232.18625	0.2
237.16397	1.7
239.06963	0.7
239.17850	0.3
240.67822	0.3
242.05861	0.6
242.08998	1.1
252.18761	2.2
253.08496	0.5
254.09413	2.3
255.06480	0.8
267.21158	1.8
270.05310	0.4
270.08673	1.3
285.07562	2.8
285.11066	5.4
285.22125	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	285.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	0.7
55.05514	10.6
57.03417	2.0
57.07076	4.8
62.02260	0.7
63.57609	0.7
67.05515	5.1
69.06735	1.1
69.07070	14.0
71.04980	0.8
71.08612	1.5
71.52750	0.9
79.05489	4.2
81.03416	6.0
81.07063	9.2
83.04975	2.0
83.08227	0.8
83.08623	9.1
85.02882	3.1
85.10181	1.8
91.05492	4.6
92.63982	0.7
93.07053	4.7
95.04954	2.9
95.08603	6.1
97.02837	0.9
97.06506	1.5
97.10178	7.9
103.84000	0.7
105.07040	5.7
107.04956	3.7
107.08614	3.5
109.06515	2.5
109.10152	4.0
111.08066	1.1
111.11703	2.3
115.05453	0.8
115.14861	0.7
117.07039	1.7
119.08587	3.9
121.06537	3.8
121.10172	4.4
122.73608	0.7
123.08036	1.6
123.11707	12.2
128.06242	1.8
129.06990	1.8
131.04895	1.2
131.08585	3.8
133.06508	10.8
133.10168	1.5
135.11703	1.0
137.05968	0.7
137.13217	1.7
141.06956	1.5
143.08571	1.3
144.05716	0.9
145.06490	12.7
145.10165	2.1
146.07224	0.9
147.06973	1.0
147.08064	18.4
147.11676	2.3
149.09630	36.8
149.13312	1.2
152.62892	0.7
155.08511	0.9
157.10117	2.0
158.07368	1.5
159.08060	18.3
161.05975	1.3
161.09610	8.5
163.11183	2.9
165.06975	1.5
167.08620	0.9
169.10165	1.2
171.08020	2.1
172.08832	2.6
173.09673	6.8
173.13367	0.9
175.11189	20.0
175.14711	0.9
177.12749	2.1
181.06453	3.2
182.07143	5.0
183.11653	1.8
185.09550	1.3
186.10414	4.2
187.11209	16.7
189.12746	39.4
193.06531	1.1
193.12238	5.2
196.05185	1.2
197.05986	1.3
198.06424	2.1
199.07303	4.0
199.11099	1.3
201.12753	45.5
203.14304	7.8
209.05923	1.2
210.06743	4.0
211.07523	26.0
211.13284	2.9
212.04434	0.9
212.08232	0.8
214.09431	2.0
215.14301	15.6
221.05980	1.0
225.09116	15.0
226.06129	2.2
227.06868	15.7
227.14290	0.9
229.15891	13.2
239.07028	17.8
240.23216	11.2
241.08534	8.0
242.05768	2.2
242.08972	22.9
243.17444	13.8
248.20782	0.9
253.08633	8.9
254.09396	48.1
255.06514	11.8
255.10170	1.1
267.15939	1.0
269.08191	1.7
270.05530	1.0
270.08649	31.9
285.07660	11.9
285.11060	100.0
285.17310	4.9
285.22098	40.5
285.25363	1.9
285.28787	7.4
286.11151	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	Pisiferin
Peak:m/z	Relative Intensity
53.03959	1.5
55.05518	19.6
57.03428	1.3
57.07071	6.1
67.05529	8.5
67.77020	1.3
69.06737	2.1
69.07075	27.9
71.52401	1.4
72.05712	1.3
79.05449	2.0
81.03411	3.5
81.07050	8.2
83.08224	1.5
83.08635	16.6
84.22980	1.2
85.06554	3.2
85.10193	1.4
91.05463	4.1
93.07037	3.4
95.08601	5.6
97.06525	2.4
97.10184	12.1
98.98439	1.5
105.07024	4.6
107.04950	5.3
107.08581	2.9
109.06530	1.4
109.10162	3.8
110.26446	1.4
111.11708	5.1
113.06011	4.2
115.05486	1.8
119.08572	3.8
119.67204	1.5
121.06498	2.5
121.10126	3.2
123.11726	10.2
131.04938	2.0
131.08536	6.6
133.06503	19.4
141.06964	2.1
144.05713	3.0
145.06491	24.8
145.10097	4.6
147.06969	2.7
147.08063	38.8
147.11760	1.9
149.09636	24.9
157.06531	2.1
159.08061	40.0
159.11728	2.4
161.09653	14.4
163.11154	2.9
165.07005	1.6
169.07585	3.0
169.10118	2.8
171.07970	2.6
172.08801	3.3
173.09642	16.1
175.11198	34.4
177.12762	3.8
181.06560	1.7
185.09601	2.0
186.10405	10.6
187.11188	33.3
189.12762	71.4
189.14473	3.4
193.12325	2.1
199.07390	4.2
199.11061	1.7
201.12756	100.0
202.13107	1.9
203.14272	10.1
210.06792	1.8
211.07559	13.7
215.14337	30.0
225.09154	7.1
225.16388	1.9
227.06989	7.5
229.15848	24.3
239.07005	10.7
241.08568	5.4
242.05757	4.6
242.08958	15.4
243.17458	18.1
253.08598	7.7
254.09398	25.9
255.06488	5.1
270.05267	3.7
270.08615	16.7
285.07587	21.5
285.11057	55.1
285.18674	4.0
285.22101	51.9
285.29675	7.0
286.11343	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	285.2214
Annotation	Pisiferin
Peak:m/z	Relative Intensity
55.05514	25.9
57.03436	2.5
57.07063	8.9
67.05505	4.5
69.07075	35.5
71.08630	3.2
71.52223	3.4
77.49419	2.1
79.05475	3.2
81.03434	2.6
81.07044	7.7
83.08623	14.9
83.84135	1.8
85.10184	2.2
89.68754	2.1
91.05470	6.5
93.07047	5.5
93.22003	2.1
95.08644	10.3
97.06580	3.4
97.10162	13.7
105.07024	5.8
107.04952	5.6
107.08581	4.5
109.10146	4.3
111.04456	3.2
111.11734	3.2
114.33671	2.2
117.06963	2.7
119.08603	6.4
121.06514	3.2
123.08050	2.7
123.11703	6.6
129.06996	2.2
131.08591	8.7
133.06493	22.6
133.10106	3.0
135.11711	3.0
141.07037	4.5
143.08592	3.3
145.06487	22.4
145.10135	3.9
147.08054	32.1
147.11690	7.4
149.09650	34.6
155.07068	3.9
155.08553	3.8
157.06471	3.5
157.07629	4.1
157.10181	4.0
158.07312	3.3
159.08066	37.5
161.09636	16.1
163.11214	6.1
169.10118	9.1
173.08115	5.0
173.09634	17.5
175.11203	34.6
177.12781	3.3
181.06538	4.3
183.11656	4.4
186.10442	7.5
187.11186	30.5
189.12753	84.6
197.13274	2.1
199.07210	3.0
199.14789	2.4
200.11978	3.4
201.12762	100.0
203.14375	13.5
211.07549	12.9
215.14334	39.5
225.09087	11.0
227.07011	10.3
229.15901	20.3
239.07040	13.4
239.17949	7.7
241.08521	6.0
242.05786	8.7
242.08972	19.3
243.17496	19.7
253.08633	7.4
254.09387	30.5
255.06554	8.0
257.19403	2.3
270.05472	4.0
270.08670	20.0
285.07617	33.2
285.11087	74.7
285.18484	19.5
285.22119	89.6
285.29727	3.1
285.33527	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	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01873	0.1
62.56719	0.1
65.03932	0.3
67.01858	0.3
68.99792	1.6
69.03420	0.2
69.82936	0.5
75.46584	0.1
77.03931	0.1
79.05496	0.5
81.03401	0.3
91.05489	0.2
92.05302	0.1
93.03407	0.1
94.04186	0.1
95.04971	0.1
96.45412	0.1
98.20851	0.2
103.05443	0.2
105.03408	0.8
105.04462	0.1
107.04964	0.9
109.02911	0.7
111.00810	1.5
111.04469	0.2
115.05454	0.2
117.07077	0.2
119.04939	0.1
121.02878	5.9
121.03933	0.3
121.06476	0.2
124.96790	0.1
125.02327	0.1
127.03925	0.3
129.07022	0.4
131.04898	0.1
133.02875	0.9
134.02647	0.1
135.04437	0.3
135.11783	0.1
137.02359	1.8
137.05986	0.2
141.07004	0.2
143.04880	0.1
145.06505	0.4
147.04439	1.1
149.06013	0.1
153.01840	9.6
157.06493	1.2
161.05984	0.4
163.07666	0.1
165.01849	3.1
167.08565	0.2
169.06560	0.2
171.04456	0.7
183.02914	1.5
184.05127	0.1
185.05989	1.2
189.05484	0.4
194.02103	0.1
195.08096	0.2
197.06004	0.3
199.03920	0.1
203.03450	0.2
203.07027	0.3
209.09505	0.1
212.04625	0.1
213.03455	0.2
213.05470	2.9
216.04330	0.2
217.05048	0.1
219.87883	0.1
223.07738	0.1
227.10614	0.3
229.04987	0.4
231.06529	1.2
241.04950	1.3
255.10205	0.4
258.05292	2.1
259.06061	0.8
269.04465	0.2
287.05518	100.0
288.05862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03971	0.1
55.29786	0.1
62.44524	0.1
63.61307	0.1
66.14884	0.1
67.01846	0.3
68.99792	1.7
69.03425	0.1
70.64783	0.3
79.05491	0.5
81.03407	0.3
95.04974	0.2
103.05497	0.2
105.03400	1.0
107.04964	0.8
109.02873	0.7
111.00821	1.2
111.04468	0.2
115.05469	0.2
121.02870	5.8
127.03946	0.3
129.07018	0.3
131.04880	0.2
133.02846	0.6
135.04391	0.3
137.02339	1.7
141.06975	0.2
145.06493	0.5
147.04391	1.1
151.03902	0.1
153.01837	9.6
157.06516	1.0
161.02290	0.1
161.06021	0.5
162.74872	0.1
163.03900	0.1
165.01843	3.3
171.04431	0.6
179.11101	0.1
183.02914	1.5
185.05957	1.0
189.05460	0.2
194.02116	0.2
197.05997	0.2
199.03841	0.2
201.05429	0.2
203.07050	0.3
207.56891	0.1
209.37328	0.2
213.05490	2.6
229.04930	0.3
231.06461	1.4
241.04941	1.5
243.06567	0.2
245.04257	0.1
258.05255	2.0
259.06073	0.8
269.04706	0.3
287.05505	100.0
288.05786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.01868	0.1
58.40990	0.1
65.03938	0.2
67.01857	0.3
68.99789	1.6
69.03416	0.1
69.72564	0.4
70.63433	0.1
71.01347	0.1
77.03952	0.1
79.05486	0.6
81.03412	0.3
81.07039	0.1
83.04991	0.1
83.08630	0.1
90.90218	0.1
91.05477	0.2
92.54132	0.1
93.03404	0.1
93.07033	0.1
95.04967	0.2
95.08615	0.2
97.02877	0.1
97.09351	0.1
103.05457	0.3
105.03392	0.9
105.07008	0.1
107.04951	1.0
109.02874	0.7
111.00799	1.5
111.04443	0.3
115.05476	0.2
117.07014	0.1
118.45545	0.1
119.04912	0.1
121.02864	6.0
121.03899	0.2
121.06476	0.1
121.10178	0.1
123.04476	0.1
127.03926	0.2
128.06207	0.1
129.06961	0.4
133.02849	0.9
135.04411	0.3
136.06656	0.1
136.07579	1.3
137.02348	2.0
139.05438	0.1
141.07010	0.3
145.06496	0.4
147.04396	1.3
151.03882	0.1
152.07050	0.1
153.01825	9.7
155.06099	0.1
157.06490	1.2
161.05981	0.4
163.03918	0.1
164.07056	1.1
165.01834	3.3
166.02565	0.1
166.19778	0.1
169.06505	0.2
171.04433	0.7
175.03864	0.2
175.07578	0.1
177.49413	0.1
183.02898	1.4
185.05949	1.1
189.05426	0.2
197.05994	0.3
199.03822	0.1
201.05489	0.1
203.03447	0.2
203.07062	0.2
213.05453	2.7
216.04179	0.1
217.04922	0.1
223.03667	0.1
229.04936	0.3
231.06497	1.3
231.08626	0.1
241.04950	1.6
242.05632	0.1
243.06432	0.1
243.82585	0.1
258.02515	0.1
258.05222	2.2
258.07864	0.1
259.06027	0.8
269.04401	0.3
287.05487	100.0
288.05841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25134	2.0
53.03931	5.4
55.01863	5.3
55.05505	3.4
56.96565	43.3
57.03428	8.9
61.02935	9.7
61.32401	2.3
65.03955	3.0
65.97279	2.3
67.05508	11.8
68.96597	2.1
69.03428	18.9
70.06590	5.9
70.28318	7.2
71.04960	2.8
71.06937	2.0
72.08149	2.0
73.02899	10.2
79.05495	49.4
81.03413	7.9
81.07054	20.2
83.04952	2.4
83.14030	1.9
84.08174	3.7
84.96017	8.6
85.02897	21.1
87.04448	2.8
89.03934	4.3
91.05476	19.4
92.98746	2.4
93.07041	13.5
95.04941	9.2
95.08608	27.1
96.08907	2.2
97.02895	18.3
97.06510	2.3
98.20868	2.9
98.97585	96.2
99.04470	3.7
101.02364	2.1
103.05457	4.0
105.03391	2.2
105.07026	31.5
106.06562	7.2
106.07333	3.7
107.04998	2.6
107.06885	7.8
107.08598	27.2
109.02859	3.7
109.06517	6.4
110.97573	18.4
111.08069	6.2
112.07599	7.6
112.99148	4.4
116.07050	2.5
116.98627	21.1
117.03356	2.1
119.01855	4.8
119.04927	9.6
121.06520	9.2
123.08070	19.0
124.03915	4.9
124.07596	12.2
124.99116	5.4
125.04310	5.0
125.07134	7.6
125.07959	8.1
125.09637	5.2
127.00661	2.1
127.03928	7.0
128.02332	7.1
128.04256	2.5
128.52538	2.2
128.98651	12.1
130.08636	9.4
133.02888	11.0
133.06480	6.6
134.99658	3.8
135.04485	2.7
135.08076	5.5
136.99051	2.0
137.05977	23.8
139.27351	1.9
140.98592	2.8
141.02281	2.1
141.07513	2.2
141.09135	16.4
142.02859	2.0
143.00189	11.3
143.10661	8.5
145.01694	3.3
145.02791	2.7
145.04999	7.4
146.99649	4.9
147.04422	16.7
149.05994	5.5
151.07549	3.7
156.03342	3.1
158.99648	24.0
161.01222	5.2
161.02861	2.7
161.06020	8.6
163.03958	17.3
165.04926	4.4
167.03795	2.9
167.07053	7.7
169.03256	3.3
170.99646	5.0
171.04817	3.9
173.06502	2.5
174.05453	6.8
177.00699	16.9
177.05542	2.8
179.07042	27.2
180.05420	20.2
180.55614	2.5
182.99611	3.5
183.03345	2.3
184.03893	4.1
185.01227	2.8
185.04887	20.7
186.04431	6.0
187.04488	3.3
189.00684	4.3
189.05977	32.5
190.95346	2.7
191.56277	2.1
193.00325	2.6
193.04372	23.1
193.54507	3.5
195.22853	2.4
197.01250	2.9
197.04900	7.9
197.08115	6.2
198.06586	3.6
198.57326	1.9
199.02765	3.2
199.04399	14.8
200.04359	2.2
201.00739	5.3
201.04222	2.4
202.04982	6.9
203.05814	9.2
204.05547	3.4
206.04420	3.1
208.04918	27.2
209.04865	2.9
215.05936	9.0
217.05487	22.6
219.01732	11.4
219.55539	2.2
223.02885	4.9
226.01590	2.9
226.05849	2.4
227.05965	3.2
228.56401	2.6
233.06995	9.0
235.03000	2.5
235.76477	2.2
237.02895	6.9
241.03856	6.2
243.08957	2.3
248.08189	4.9
251.12740	2.2
253.03877	4.3
254.08075	19.8
257.07013	14.4
263.08578	39.3
263.58765	3.7
265.10202	4.7
266.09219	2.2
269.08658	17.3
272.09167	2.9
275.07977	11.0
278.09204	18.6
278.59076	7.4
287.05527	11.1
287.11035	100.0
291.03918	5.7
303.83752	2.0
309.05038	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	289.0921
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03940	0.5
53.88805	0.2
55.01870	0.5
56.96563	0.5
57.03437	0.8
61.02929	0.9
69.03436	2.2
69.95276	1.0
71.05013	0.3
73.02906	0.7
79.05513	1.6
81.03431	1.2
81.07059	0.7
85.02917	5.5
91.03959	0.5
91.05536	0.6
91.12474	0.3
93.07053	0.4
97.02892	1.9
98.03118	0.2
98.97578	1.5
99.04454	0.5
101.21078	0.2
105.07063	0.4
107.08602	2.3
109.02885	0.9
109.06559	0.3
110.97592	0.3
116.74593	0.2
116.98672	0.2
119.63300	0.2
119.74122	0.2
121.06555	0.4
125.09656	0.3
127.03935	100.0
128.04253	0.4
128.98610	0.3
136.43639	0.2
137.06001	0.8
143.10703	1.0
145.05009	0.8
155.04701	0.4
157.06555	0.3
158.03452	0.2
161.06076	0.3
163.03949	0.3
177.00647	0.3
184.03249	0.3
212.06210	1.4
221.06834	0.6
234.10426	0.2
271.09930	0.4
289.06912	0.5
289.12357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1549
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
55.05505	0.9
67.05503	0.9
69.07061	1.1
69.52505	2.7
79.05499	2.1
80.05009	0.5
81.03416	0.9
81.07071	3.3
83.04964	0.5
91.05470	4.1
93.07069	2.1
94.06563	1.2
95.04991	0.7
95.08595	1.6
96.08128	2.2
97.02821	0.4
97.06520	0.6
98.97580	0.3
103.05469	0.5
105.07036	1.0
106.06556	1.6
107.08605	1.8
108.08128	1.3
109.02879	1.4
109.06499	0.6
109.10181	0.7
116.04968	0.9
117.05759	1.3
118.06539	5.7
119.07307	1.0
119.08569	1.0
120.08112	14.2
121.06473	0.7
121.10165	0.7
122.09660	0.7
123.11695	0.7
124.07603	9.9
126.09131	1.2
126.75469	0.4
127.03918	1.3
133.05234	0.6
133.10130	0.9
134.06007	7.0
135.11732	0.4
136.07573	5.7
138.05507	2.0
138.09154	0.6
142.35237	0.4
143.08556	0.5
145.10091	0.7
146.05998	8.9
147.06828	3.4
147.11716	1.1
148.07574	10.6
149.13226	0.6
150.09206	0.9
152.07072	0.6
159.08031	0.5
163.03914	0.5
163.14728	0.5
164.07074	100.0
165.07793	0.8
166.08635	3.0
172.11237	0.4
198.09166	0.6
200.10713	0.8
202.12195	0.5
214.10985	0.7
215.15430	1.8
216.10164	2.8
226.12267	0.6
228.10184	0.7
229.13397	1.5
232.09686	0.5
235.13354	0.4
243.14937	6.2
245.16547	2.8
253.13513	1.1
254.11783	0.9
255.40807	0.4
270.63553	0.4
271.14420	24.7
289.15475	87.4
289.25177	1.4
290.15723	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
53.23722	2.0
54.80051	2.2
55.01865	4.1
55.05505	6.6
63.72834	2.0
67.05514	12.5
68.95303	2.0
69.03427	4.1
69.07063	10.3
71.04982	11.3
71.51456	4.0
79.05489	24.0
81.07063	44.5
83.04984	16.9
83.08624	5.9
85.02840	2.8
85.06532	14.2
91.05491	15.0
93.07050	55.4
95.04968	16.2
95.08612	40.2
97.06532	27.0
99.04471	25.3
103.86431	2.5
105.06390	3.9
105.07043	39.8
107.04308	2.3
107.04996	6.5
107.08609	32.6
109.02885	2.4
109.06523	32.3
109.10152	6.3
111.08092	24.0
113.06004	5.2
119.04958	4.9
119.08619	21.3
121.05675	4.7
121.06517	78.2
121.07393	4.3
121.10158	6.6
123.04489	3.1
123.08065	9.1
123.11749	10.9
125.06004	14.0
127.03951	5.2
127.07547	10.8
129.07025	3.4
131.08566	6.3
133.06496	3.5
133.10130	25.2
135.04489	3.8
135.08064	13.1
137.05968	3.6
139.07542	25.6
141.05460	2.4
143.07059	9.9
143.08540	7.8
145.10139	8.2
147.02519	2.2
147.04419	14.3
147.07986	3.5
147.11700	50.1
149.13211	3.5
151.11223	5.6
155.87669	2.3
156.09409	4.4
157.08632	8.6
157.10121	15.6
159.06555	15.4
159.07742	2.6
161.06001	3.7
161.09633	2.9
161.13261	10.0
163.11182	2.3
165.12775	18.2
166.07800	4.5
169.12257	21.0
171.11739	14.8
173.08208	2.5
173.09631	5.7
175.11197	30.0
181.10172	3.5
189.12737	25.5
193.12277	33.3
199.11194	30.9
207.13818	18.7
211.13295	35.1
217.12248	100.0
225.14781	2.5
229.14330	14.6
235.13306	99.5
253.14368	58.3
267.02451	2.4
269.86600	2.2
271.15375	3.5
289.15851	4.5
309.96021	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51742	3.2
54.64988	2.8
55.01873	5.6
55.05507	6.8
56.96566	3.3
57.03433	10.3
60.24372	2.4
67.05510	14.4
69.03427	20.5
70.06191	5.7
70.06600	10.2
71.04996	30.0
72.08150	7.1
73.02905	12.8
75.04446	2.8
79.05498	68.1
81.03419	5.4
81.04546	3.9
81.07065	22.4
83.04971	7.8
84.04488	4.7
84.08131	5.6
85.02911	41.7
85.06513	2.3
87.04466	5.6
91.05489	26.1
93.07038	19.6
93.80373	2.3
95.04951	4.7
95.08606	7.0
97.02890	3.9
97.06520	5.7
99.04449	5.7
105.07035	29.3
107.04949	5.5
107.07886	5.6
107.08604	100.0
109.06513	6.5
109.10163	11.7
111.04444	5.5
113.05988	4.2
115.05469	3.6
117.05507	2.6
117.07006	19.1
119.08582	21.3
119.99012	2.4
121.06506	10.7
121.10123	11.0
123.08090	15.8
125.09630	21.4
127.03923	18.7
127.07581	3.1
128.06235	6.0
129.05449	5.9
129.07025	5.4
131.04903	2.8
131.08588	18.0
133.10135	9.2
135.04396	4.7
135.08063	36.7
137.05981	8.8
137.09622	11.7
139.07562	3.9
141.07036	2.9
141.09105	5.4
143.08566	8.7
143.10689	71.9
145.06516	5.1
145.10135	11.1
147.08073	5.1
149.06059	2.9
149.09634	41.0
153.05493	2.6
153.09113	19.4
155.08531	3.9
159.08055	7.5
161.09613	9.7
163.03908	8.3
163.11240	3.6
164.07129	4.8
165.09117	3.5
167.10695	17.6
169.06517	4.6
171.08066	8.8
171.13826	2.6
173.09399	3.8
175.07654	2.8
177.09044	4.1
179.10736	11.8
187.07538	2.6
189.12674	2.9
191.10646	9.4
199.07494	6.3
199.11134	4.0
201.09100	4.3
209.11685	7.1
211.07460	2.9
217.12303	14.3
227.07001	10.1
229.08614	4.2
235.13254	14.7
243.06508	3.0
244.07321	4.3
253.14317	18.5
253.36909	2.7
257.08133	3.3
259.09695	8.3
271.09714	4.3
271.15485	4.9
289.08041	6.6
289.11401	8.2
289.15604	3.9
289.20950	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	289.2163
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03948	4.4
55.05514	29.3
57.07055	3.4
59.04720	3.0
59.05005	53.9
67.05495	13.2
69.07061	9.4
71.52257	2.7
73.06534	3.4
73.77566	2.5
79.05495	9.4
81.07060	9.8
83.08632	4.2
85.06547	100.0
91.05482	15.5
93.07042	30.9
95.08626	21.0
99.08091	20.4
105.07024	13.1
107.08584	12.2
109.10166	8.1
110.22035	2.7
117.07015	4.2
119.08566	14.9
121.10164	6.1
125.09631	17.8
127.03877	14.2
129.06961	2.8
131.08594	17.9
133.10133	16.8
135.11711	3.1
139.11153	5.2
142.07773	10.4
143.08569	10.4
145.10133	14.4
147.11696	8.5
149.09665	3.9
151.11192	3.5
153.56514	2.6
155.08585	5.6
156.09392	6.4
157.10147	27.9
158.10963	9.1
159.11732	16.3
163.11269	3.9
168.09386	6.5
169.10155	9.9
171.11681	11.5
173.13254	32.1
181.10091	2.9
183.11725	26.7
184.12567	2.9
187.11148	2.7
189.12764	5.2
191.14336	3.8
195.11751	5.0
197.13281	14.6
198.13939	2.9
199.14864	7.2
201.12732	11.4
206.43320	2.9
209.13281	6.7
211.14864	3.9
213.16449	5.8
215.14316	4.0
217.15929	5.5
224.15700	6.1
239.17958	17.5
248.92009	3.0
257.19058	12.8
259.16656	4.4
271.20706	13.1
289.18436	6.3
289.21634	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.05514	0.9
56.05049	2.7
57.03436	3.5
60.04527	0.8
61.02927	2.9
68.99795	3.0
69.03422	1.6
69.83257	2.6
70.06613	0.8
72.04520	0.6
73.02923	2.6
75.04496	0.7
80.05013	0.7
81.03403	2.4
81.07043	0.7
83.04965	0.5
84.04508	100.0
85.02911	14.5
87.00835	7.0
96.04494	1.9
97.02876	2.9
98.06074	2.6
99.04484	1.1
103.03947	16.0
105.01845	3.2
108.04510	1.3
109.02889	2.7
110.06012	0.7
112.03990	0.8
126.04594	1.0
126.05524	19.2
127.03910	2.6
129.01837	5.9
144.06564	0.9
147.02876	3.5
150.05562	0.6
156.06584	0.9
168.06570	5.2
171.02904	1.2
186.07713	2.4
189.03966	5.5
204.08687	1.9
205.72003	0.5
221.44641	0.5
228.08667	0.9
243.09131	0.5
246.14932	1.3
272.07703	5.6
288.58682	0.5
290.08722	20.4
290.14023	1.0
290.17477	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	290.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13136	0.3
53.03936	0.4
55.01880	0.6
55.05507	0.4
56.05044	2.1
57.03445	3.0
60.04524	0.8
61.02940	3.5
68.99796	3.4
69.03446	1.5
69.53294	2.6
72.04504	0.5
73.02917	2.5
80.05029	0.4
81.03429	2.7
84.04513	100.0
85.02912	13.3
87.00837	6.4
93.50699	0.4
96.04512	1.7
97.02906	0.7
98.06085	1.3
98.21516	0.5
99.04470	0.5
103.03953	15.2
105.01884	2.3
108.04491	0.7
109.02881	2.2
110.06063	1.0
126.05529	15.5
127.03937	2.1
129.01862	5.8
130.19858	0.4
140.07175	0.5
142.61133	0.4
144.06581	0.6
147.02904	4.0
148.54593	0.4
150.05525	0.9
156.06589	0.6
161.57617	0.4
168.06601	2.0
169.05061	0.6
171.02974	1.8
186.07631	2.7
189.03978	5.6
204.08739	2.6
213.04028	0.6
219.08043	0.7
228.08730	1.1
247.07640	2.0
254.06583	0.4
261.09131	0.6
262.09720	0.6
272.07706	5.9
275.07053	0.8
290.08771	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	291.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62485	1.0
56.96567	100.0
71.95243	3.5
74.97590	1.4
76.52857	1.1
81.58538	1.3
84.96042	9.0
98.20652	1.9
98.97585	88.3
105.00143	1.6
106.98066	1.7
108.99683	1.3
110.97583	3.2
112.99141	7.3
116.97860	1.6
116.98631	26.1
120.99730	1.2
123.01170	1.4
124.99124	65.2
127.00675	5.8
128.98592	1.7
131.00154	4.4
131.01878	1.2
134.99628	4.6
138.96985	1.2
139.00685	3.7
140.98573	2.1
141.02220	8.0
143.00169	71.6
148.99106	1.4
149.01111	1.1
151.00652	5.3
152.98596	25.0
157.01729	1.5
158.99640	4.1
159.03279	5.0
161.01228	23.7
167.00159	9.9
169.01773	14.3
170.99663	56.5
176.98599	1.7
182.99686	1.7
185.01234	41.9
186.99200	6.1
187.02864	6.9
189.00702	30.7
194.99666	7.4
198.01176	1.4
201.00659	1.6
203.02283	21.7
205.00208	7.9
207.01903	3.5
211.02762	2.7
212.98763	1.5
213.00720	28.1
221.03285	2.2
229.00145	2.8
229.03883	1.5
231.01755	48.9
237.02847	2.6
245.03270	4.7
247.01190	3.8
249.02837	48.8
255.03798	2.5
263.04330	4.2
267.03909	27.1
273.02750	15.0
285.04886	11.7
291.03860	84.0
309.04919	75.2
309.08597	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	291.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62485	1.0
56.96567	100.0
71.95243	3.5
74.97590	1.4
76.52857	1.1
81.58538	1.3
84.96042	9.0
98.20652	1.9
98.97585	88.3
105.00143	1.6
106.98066	1.7
108.99683	1.3
110.97583	3.2
112.99141	7.3
116.97860	1.6
116.98631	26.1
120.99730	1.2
123.01170	1.4
124.99124	65.2
127.00675	5.8
128.98592	1.7
131.00154	4.4
131.01878	1.2
134.99628	4.6
138.96985	1.2
139.00685	3.7
140.98573	2.1
141.02220	8.0
143.00169	71.6
148.99106	1.4
149.01111	1.1
151.00652	5.3
152.98596	25.0
157.01729	1.5
158.99640	4.1
159.03279	5.0
161.01228	23.7
167.00159	9.9
169.01773	14.3
170.99663	56.5
176.98599	1.7
182.99686	1.7
185.01234	41.9
186.99200	6.1
187.02864	6.9
189.00702	30.7
194.99666	7.4
198.01176	1.4
201.00659	1.6
203.02283	21.7
205.00208	7.9
207.01903	3.5
211.02762	2.7
212.98763	1.5
213.00720	28.1
221.03285	2.2
229.00145	2.8
229.03883	1.5
231.01755	48.9
237.02847	2.6
245.03270	4.7
247.01190	3.8
249.02837	48.8
255.03798	2.5
263.04330	4.2
267.03909	27.1
273.02750	15.0
285.04886	11.7
291.03860	84.0
309.04919	75.2
309.08597	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	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12876	6.5
55.01876	7.2
55.58555	5.5
56.96574	43.1
60.07219	7.0
61.02932	10.3
67.67135	5.9
69.03418	17.8
69.48548	38.2
70.06595	8.3
73.02912	26.8
79.05486	9.5
84.08148	23.6
84.96023	8.5
85.02923	30.4
97.02882	21.1
98.97581	100.0
101.00835	8.9
110.01289	12.2
110.97557	23.6
114.05535	12.6
114.42553	5.7
116.98604	14.0
119.01823	16.1
119.51922	8.3
124.99117	15.8
127.03917	9.8
128.07062	11.8
128.98581	15.1
134.99710	6.6
137.05954	19.9
140.02353	6.2
143.00200	19.3
143.01884	9.5
145.59885	5.7
146.02280	17.2
146.52490	8.6
146.99666	7.3
152.52347	6.0
155.02963	8.0
155.53069	13.8
158.99686	25.1
160.00064	6.7
161.01225	10.6
161.02907	14.4
170.03120	6.2
170.53519	9.7
170.99631	19.4
172.94670	6.0
177.00739	9.0
189.00755	11.4
191.03819	36.6
191.54089	41.9
192.04002	7.3
200.04428	37.8
200.54584	95.2
201.04646	22.9
219.01762	8.1
231.01656	10.2
259.12924	9.6
291.04492	12.7
291.08075	80.0
309.04874	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	291.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54878	0.3
53.03939	0.5
55.01872	2.8
55.05518	0.6
56.05037	0.3
61.01154	15.3
63.06679	0.3
64.58531	0.3
67.05511	0.7
69.03428	1.5
69.07078	0.4
69.80029	0.3
70.06580	0.4
71.51453	0.6
72.08168	0.7
73.02908	0.7
74.27410	0.3
79.05499	0.7
81.03423	5.9
81.07059	0.7
83.04985	0.6
83.08613	0.6
84.04505	1.3
84.08147	85.5
85.02910	1.0
86.06064	0.4
86.09704	0.8
91.05492	2.3
93.07031	0.5
95.08605	0.4
97.02875	0.7
99.04401	0.4
105.07037	1.0
109.02887	2.7
109.10118	0.4
111.04454	0.3
115.05460	0.4
117.07016	0.8
119.04929	1.9
119.08587	0.8
127.03934	0.5
128.06242	0.4
128.10686	0.8
129.07008	1.0
131.08578	12.1
132.08432	100.0
137.05959	0.6
143.08586	0.9
147.04416	9.4
149.06030	0.6
151.03807	0.8
153.07018	0.4
155.08524	0.5
157.06519	0.5
157.07677	0.6
157.10155	0.4
159.11711	0.5
163.03931	1.0
164.07043	0.8
165.05385	0.4
165.06993	0.4
167.08551	0.4
169.13332	0.5
171.08003	0.4
181.10083	0.3
185.09653	1.0
188.09450	0.7
191.08522	0.5
198.11214	1.0
199.07530	0.4
199.12343	1.3
201.09082	0.8
203.03334	1.7
203.08488	1.3
209.09673	1.0
213.09029	0.7
215.13937	1.3
217.08560	0.9
217.13371	0.8
227.10640	0.9
231.02795	1.4
231.08197	0.6
231.10220	0.5
237.09102	1.3
243.17067	0.6
245.12981	1.9
246.11642	0.6
248.08311	1.5
255.10170	3.7
263.10736	0.7
273.12369	7.6
276.07806	0.9
291.09109	2.8
291.09744	3.0
291.13354	7.0
291.17325	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	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03929	1.3
55.05515	6.0
57.03416	1.2
57.07073	2.5
59.04980	1.6
67.05514	6.8
69.03408	2.9
69.07055	4.2
69.57291	3.1
69.57725	3.4
71.04981	4.1
76.32729	0.8
79.05490	7.7
81.03397	1.4
81.07058	9.5
83.04951	2.2
83.08617	4.4
85.02886	1.2
85.06526	2.5
91.05489	8.5
93.06496	1.0
93.07042	12.9
95.04995	5.0
95.05471	1.0
95.08604	15.3
97.06519	5.9
98.21481	2.0
105.07029	10.7
107.04963	6.1
107.08598	9.2
109.02888	1.2
109.06524	9.0
109.10139	3.6
109.65228	0.9
111.08086	27.6
111.08865	1.3
115.05440	1.2
117.07004	3.2
119.08585	12.5
121.06480	2.3
121.10135	7.7
122.07249	1.8
123.08069	32.3
129.06964	1.2
131.08574	7.1
133.06458	3.4
133.10126	10.2
135.08040	9.2
135.11711	4.2
137.09624	3.9
141.05435	1.3
142.07753	1.9
143.08572	2.8
144.09383	1.5
145.10136	16.0
147.08029	4.0
147.11702	7.9
149.09598	6.7
151.07545	100.0
155.10625	2.4
156.09325	2.7
157.10133	6.8
159.08058	1.1
159.11691	4.4
161.09599	4.1
161.13200	1.7
162.00365	0.8
163.03876	1.2
163.11180	5.6
165.09047	1.3
165.12654	1.0
169.10078	1.4
171.11765	4.3
173.09651	1.1
173.13278	7.7
174.10451	1.2
175.11243	4.7
177.09052	1.5
177.12790	2.2
179.10686	5.4
181.12234	1.2
185.13237	1.8
187.11168	4.0
187.14835	2.0
188.12059	0.9
189.11099	1.8
189.12746	27.9
191.14287	7.6
192.11414	3.0
193.12389	0.9
195.11774	1.0
197.11736	16.4
197.13286	2.1
202.07707	1.2
203.08694	1.1
203.14348	3.8
205.12251	1.5
207.13800	66.3
213.16367	3.1
215.14323	5.0
217.12306	3.1
219.08060	1.1
220.08775	1.7
229.15819	1.8
231.08105	2.4
231.17468	4.4
233.15369	21.2
235.13309	1.7
237.16307	1.1
248.08311	4.1
249.18478	1.0
255.17427	2.8
263.10626	3.6
264.40012	1.0
273.18527	11.5
276.07748	3.1
291.07062	1.9
291.10141	18.0
291.19543	65.3
291.26923	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03934	4.3
55.01873	14.9
55.05514	43.4
57.03433	3.9
57.07056	1.6
65.03955	1.2
67.05506	28.0
69.03420	4.6
69.07070	8.5
71.04976	5.0
71.52244	1.4
79.05496	45.6
81.03410	3.1
81.07060	53.4
83.04971	6.6
83.08624	17.8
85.06547	1.4
87.04469	1.3
89.71321	1.4
91.05486	55.4
93.07045	25.2
95.04974	12.4
95.08610	14.3
97.06530	3.9
97.10175	24.6
103.05451	2.2
105.03370	5.7
105.07037	23.3
107.04949	11.4
107.08595	22.7
109.02853	1.3
109.06511	4.2
109.10158	9.4
111.08045	3.3
112.34827	1.4
112.78025	1.2
115.05470	1.6
116.06236	1.5
117.06231	2.2
117.07021	25.4
117.07846	1.5
119.04958	2.9
119.08585	63.1
121.06490	13.1
121.10178	6.9
123.08065	4.4
123.11732	1.3
125.08791	1.5
125.09640	20.5
128.06250	3.0
129.07021	9.5
130.07784	2.5
131.08565	24.8
132.05688	3.0
133.06465	5.2
133.10101	6.4
135.08069	7.9
135.11685	3.3
137.09615	3.2
141.06964	1.3
142.07771	3.0
143.08571	15.3
145.06497	3.3
145.09076	2.3
145.10133	24.7
147.08052	41.2
147.11655	2.7
147.12830	1.1
149.09575	5.6
149.13206	1.2
151.07564	2.8
153.09099	2.3
155.08621	1.7
157.10129	9.1
159.08028	3.8
159.11670	8.8
161.09679	7.4
161.13144	1.7
163.03905	3.5
163.11180	2.6
169.10139	1.9
170.55989	1.3
171.10309	2.0
171.11600	5.8
173.09528	1.6
173.11754	2.5
173.13319	2.5
175.11174	1.8
177.09184	1.2
179.10660	1.3
181.10132	1.6
183.11778	1.9
184.19777	1.2
185.13266	4.0
187.14862	1.6
189.09483	1.9
189.11217	14.9
189.12737	2.3
193.10054	1.5
195.11707	3.6
202.07721	2.0
203.08594	2.5
207.13779	2.3
217.15907	1.3
219.08098	1.3
220.08696	1.5
223.13307	2.8
227.17870	3.1
231.08058	4.1
231.13779	1.5
232.08794	2.0
237.16333	2.0
245.18967	4.9
248.08340	7.1
249.14799	8.0
255.17419	11.5
259.07458	1.4
260.08344	2.6
263.10669	3.9
273.18503	100.0
276.07825	3.8
291.10190	29.6
291.13086	2.4
291.19553	69.3
307.06192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03942	1.2
55.01864	1.8
55.05515	7.7
56.96554	0.7
57.03432	1.0
57.07063	2.2
59.04994	2.5
59.72063	0.6
64.69967	0.5
65.03954	0.6
67.05515	5.7
69.03426	2.8
69.07075	3.1
71.05006	3.6
71.06786	1.0
71.69650	0.6
77.03926	0.8
79.05495	9.7
79.63585	0.6
81.03403	0.9
81.07066	11.1
83.04979	2.6
83.08619	10.1
84.04508	0.7
85.02908	1.8
85.06538	2.7
91.05485	6.0
93.07051	15.4
95.04984	5.3
95.08616	18.1
96.39262	0.6
97.06541	5.8
98.98483	1.2
105.07037	10.1
107.04224	0.7
107.04957	14.7
107.08604	7.6
107.20605	0.6
108.05704	0.7
109.06522	8.6
109.10165	5.1
111.04466	1.2
111.08087	41.2
113.05988	0.8
113.09644	2.1
115.05451	0.8
117.07027	2.0
119.07788	1.2
119.08577	10.4
121.06532	3.2
121.10143	7.9
122.07315	1.2
123.08073	36.0
123.11697	1.5
125.09625	2.9
128.06242	0.7
129.07051	1.6
131.08588	6.0
133.06494	4.4
133.10141	10.4
135.08072	6.2
135.11732	3.0
137.09633	2.8
139.07475	0.7
142.07814	1.4
143.08525	1.9
145.10110	5.3
147.08089	3.1
147.11687	5.9
149.09630	6.9
149.13272	1.8
151.07553	100.0
152.07893	0.8
153.09119	0.9
155.10703	2.9
156.09354	1.6
157.10124	3.7
159.08044	2.4
159.11621	1.5
160.08847	1.0
161.09615	2.9
161.13284	1.7
163.03952	1.8
163.11209	3.8
163.14778	0.6
165.09117	1.1
167.10742	0.9
169.10110	1.0
169.12260	1.1
171.11699	2.8
173.09689	0.9
173.13301	6.2
174.10428	1.5
175.11191	4.6
177.09106	1.7
179.10678	3.9
179.19284	0.6
181.12279	1.8
182.10927	1.0
185.13220	0.7
187.11073	0.9
187.14830	1.1
189.12755	24.5
191.08566	0.7
191.10672	2.2
191.14307	15.7
192.11440	4.5
197.11728	15.5
197.13332	2.6
200.32022	0.7
202.07851	1.3
203.08556	2.3
203.14282	0.7
207.13817	62.6
208.14214	0.7
211.13264	1.6
213.16376	1.8
215.14420	4.2
217.12227	3.1
217.15839	0.7
219.08119	1.2
220.08849	1.8
227.18045	0.8
231.08064	4.1
231.17549	2.2
232.08955	1.0
233.06035	0.7
233.15376	45.5
235.13394	2.0
247.07481	1.3
248.08296	7.0
249.18562	1.4
255.17538	2.9
259.07684	2.1
263.10602	4.7
273.18518	7.2
276.07867	5.1
291.10165	27.0
291.19559	62.2
291.26404	2.9
292.10571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03928	6.6
55.01875	11.5
55.05517	41.7
57.03423	5.1
57.07076	3.4
59.04990	2.7
65.03935	2.1
67.05508	39.8
69.03420	5.8
69.07071	26.5
70.80148	2.9
70.80475	1.7
71.04995	8.6
79.05498	61.9
81.03410	4.0
81.07059	78.2
83.04988	8.8
83.08622	16.3
84.04494	2.0
85.02856	2.0
85.06535	5.7
91.05482	70.2
93.07045	62.6
93.07642	2.9
95.04967	15.5
95.08611	46.9
97.06523	8.5
97.10162	16.1
98.97538	2.2
99.08075	3.2
103.05486	4.4
105.03381	2.9
105.04514	1.9
105.07034	55.5
107.04957	14.5
107.08604	34.2
109.06524	14.3
109.10160	11.5
111.08084	25.6
115.05449	4.5
116.06200	3.0
117.07020	38.9
119.04919	3.9
119.08585	53.4
121.06511	18.9
121.10150	26.1
123.08076	25.7
123.11691	4.6
125.09669	8.4
128.06230	10.0
129.07007	18.4
130.07791	5.9
131.08575	69.7
133.06511	9.5
133.10132	19.4
135.04434	1.9
135.08060	13.2
135.11700	14.4
137.05908	1.4
137.09615	3.6
139.11159	6.4
141.06990	3.9
141.09053	2.4
142.07802	3.6
143.08565	50.9
145.06454	3.0
145.10126	69.4
147.08044	20.3
147.11694	7.5
149.09610	11.4
149.13252	6.0
151.07547	66.4
153.09180	2.8
155.08530	4.0
157.10117	17.6
159.08047	5.6
159.11705	16.2
161.09622	13.6
161.13309	3.9
163.03894	4.9
163.11195	5.8
163.14856	2.5
169.10123	6.0
171.11697	14.0
173.09615	3.1
173.13214	4.2
175.11177	6.0
177.09143	3.3
177.12703	2.4
179.10733	3.4
181.10138	4.8
181.12105	1.5
183.11694	5.7
185.09608	1.8
185.13286	4.7
189.11230	3.8
189.12732	17.2
192.11493	1.5
195.11687	9.4
197.11720	6.9
199.11153	2.3
199.14951	2.9
202.07832	2.4
203.08553	5.0
203.12694	2.5
205.12314	1.5
207.13821	40.8
211.14796	2.9
213.16302	3.2
217.12204	2.4
219.08115	2.8
220.08781	4.5
223.13213	2.3
227.17986	4.7
231.08076	4.8
232.08772	2.6
233.15393	2.3
237.16423	6.0
245.19080	4.5
247.07600	2.2
248.08340	12.9
249.14908	6.4
255.17502	11.0
259.07623	3.7
260.08426	2.1
263.10632	7.5
263.20148	2.9
273.18515	55.1
276.07736	8.2
291.10190	38.1
291.19543	100.0
291.26819	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	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03939	4.8
54.71677	2.1
55.01881	16.3
55.05515	18.2
57.03447	14.9
57.07065	4.1
62.69408	1.9
65.03938	4.5
67.05509	68.2
69.03426	4.4
69.07069	15.9
70.83479	2.4
71.04983	3.2
71.52594	2.5
78.60208	2.2
79.05502	43.9
81.03423	4.4
81.07057	36.5
83.04973	9.0
83.08607	5.5
84.08167	2.6
84.56572	2.2
85.02897	2.5
85.06533	3.9
91.05492	37.9
93.07053	36.8
93.86736	2.2
95.04974	100.0
95.05579	5.1
95.08620	19.6
97.06535	7.7
97.10189	2.3
103.05489	2.5
105.07027	29.3
107.04957	24.3
107.08601	28.8
107.49712	2.2
109.06528	60.6
109.07267	3.1
109.10170	4.5
111.08061	5.9
111.20803	1.9
117.07023	9.9
119.08582	15.1
121.06502	11.0
121.10142	8.2
123.08096	7.1
128.06284	2.7
129.07019	8.9
130.32106	2.4
131.08578	24.6
133.06500	5.4
133.10139	10.2
135.08064	79.7
135.11703	8.0
137.06013	2.9
137.09650	2.8
143.08580	15.9
145.10138	15.8
147.08066	9.4
147.11656	6.8
149.09599	10.8
149.13214	4.8
151.07532	5.8
157.10149	7.5
159.11684	7.8
161.09644	8.8
161.13277	3.3
163.03909	5.7
163.11174	5.2
171.11714	5.4
173.13229	3.2
175.11183	3.3
177.12775	4.9
185.13208	3.7
185.38101	2.2
185.66162	2.2
187.11227	5.0
199.14842	2.6
202.07802	3.7
203.08606	8.5
207.13678	4.1
217.15788	12.1
219.08118	3.6
220.08827	3.6
227.17847	3.0
231.08136	12.5
245.19037	3.9
248.08257	18.2
255.17421	5.1
259.07501	4.2
260.08331	6.1
263.10632	9.7
273.18503	49.9
276.07843	11.0
291.10138	64.5
291.16238	2.6
291.19537	69.4
291.26852	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	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03933	2.0
55.01873	3.0
55.05519	9.7
57.03421	0.7
57.07064	0.7
59.70816	0.5
65.04491	0.5
67.05511	8.1
67.64034	0.5
69.03431	1.6
69.07072	4.1
69.35647	1.6
69.36069	2.1
71.04998	1.5
79.05087	0.7
79.05507	11.1
81.03409	1.4
81.07067	9.6
83.05011	2.6
83.05405	0.5
83.08625	4.5
85.06558	0.7
87.04479	0.5
91.05489	9.5
93.07056	7.6
95.04980	4.5
95.08630	5.2
97.10181	5.8
105.03423	0.9
105.07039	9.0
107.04959	3.2
107.08607	5.5
109.06536	1.2
109.10164	1.9
111.04433	0.6
111.08120	0.9
116.06264	0.8
117.07039	6.0
119.04957	2.2
119.07811	0.7
119.08592	7.9
121.06523	2.5
121.10150	3.0
123.08080	2.3
125.09628	3.9
125.18285	0.5
128.06242	0.7
129.06996	2.4
130.07782	0.9
131.08562	5.7
133.06500	2.8
133.10141	2.3
134.07286	1.4
135.04385	0.7
135.08047	2.5
135.11679	1.3
137.09642	0.8
139.03853	0.6
143.08585	2.7
144.09291	0.5
145.10153	4.6
147.08037	4.8
147.11705	0.9
149.09618	1.9
151.07591	1.0
157.10126	1.5
159.08107	0.7
159.11702	1.5
161.09624	2.0
162.10457	0.9
163.03894	1.2
163.11195	1.0
165.09155	1.0
171.11676	1.5
175.11234	1.8
183.11725	0.6
187.13504	0.6
189.11244	2.1
189.12758	0.9
203.08542	1.7
207.13791	1.0
219.08127	0.6
220.08751	0.8
223.13356	2.1
231.08104	1.7
245.18971	0.8
248.08203	2.6
249.14899	2.1
255.17523	1.2
259.07693	0.6
260.08365	0.5
263.10736	1.9
273.18506	9.3
276.07825	1.6
291.10284	10.6
291.19574	100.0
292.19873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.27789	0.8
53.03953	3.0
55.01871	2.7
55.05518	9.8
57.03432	1.1
57.07080	0.9
65.03956	4.2
65.04251	0.7
67.05508	56.7
69.03426	2.8
69.07075	7.0
69.24878	7.1
79.05067	1.5
79.05499	17.0
81.03413	2.5
81.07059	19.1
83.04991	2.3
83.08631	2.4
85.06582	0.9
90.96825	0.9
91.05488	17.0
93.07052	17.5
95.04972	100.0
95.08611	12.4
97.06528	4.3
97.10192	1.8
99.76861	0.9
105.07044	13.3
107.04955	9.6
107.08608	8.4
109.02904	1.6
109.06519	6.8
109.10165	3.7
111.08108	4.1
115.05453	2.1
116.06268	1.7
116.63083	0.8
117.07008	4.7
119.08601	5.6
121.06511	7.3
121.10115	5.1
123.04489	0.9
123.08066	2.9
123.11671	1.2
128.06264	1.5
128.46701	0.9
129.07021	3.4
131.08566	11.7
133.06502	4.0
133.10153	4.6
135.08069	1.9
135.11696	4.7
137.06026	2.7
137.09639	1.3
141.06941	1.2
143.08574	9.4
145.10112	8.1
147.08052	6.1
147.11702	3.1
149.09669	1.4
149.13306	1.4
150.03539	0.9
157.10127	2.0
159.08130	1.0
159.11700	3.4
161.06058	1.2
161.09604	2.6
163.03952	1.1
163.11186	2.8
165.12772	1.1
169.10214	2.0
171.11726	2.3
173.13222	1.1
175.07594	0.9
177.12733	2.6
185.09651	0.8
185.13283	1.6
187.11223	2.9
195.11739	1.5
203.08578	2.1
205.12193	2.0
227.17911	1.2
229.15976	1.2
231.08047	1.9
237.16451	2.5
245.10062	1.1
245.19060	1.8
248.08308	2.8
255.17429	2.4
263.10767	1.9
273.18530	27.8
276.07977	1.3
291.10181	9.6
291.19562	7.8
291.23004	1.8
291.27002	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03948	4.6
55.01862	1.4
55.05513	19.3
57.07065	2.6
59.04989	1.2
65.03937	1.9
67.05506	36.3
69.03410	1.4
69.07069	17.4
71.04975	1.0
73.06566	1.1
79.05496	70.3
81.07058	46.6
81.07458	0.7
83.04964	2.0
83.08148	0.9
83.08619	8.6
85.06531	4.0
91.05482	28.8
93.07044	100.0
94.25143	0.9
95.04972	4.9
95.08609	32.4
97.06535	2.6
97.10162	4.9
98.20791	1.8
99.08089	1.6
101.06006	1.1
105.04509	2.1
105.07034	18.3
107.08597	53.7
109.02904	0.9
109.05882	0.7
109.06516	4.3
109.10159	15.9
111.08073	1.5
111.11680	1.1
113.09631	0.9
114.25712	0.9
117.07010	4.6
119.08588	14.4
121.10143	48.4
123.04442	0.8
123.08059	3.0
123.11721	4.3
125.09639	1.7
129.06973	2.3
131.08574	6.2
133.10139	13.0
135.00037	0.8
135.08049	1.9
135.11694	49.4
137.06009	2.5
137.09615	2.2
137.13220	1.2
139.11250	1.4
143.08562	3.4
145.10126	5.1
147.11682	10.8
149.09642	4.0
149.13261	29.7
151.11195	1.6
157.10110	2.2
159.11736	5.1
161.09641	1.5
161.13235	7.1
163.11168	3.4
163.14819	7.5
165.05475	43.3
171.11665	4.0
173.13269	3.6
175.11217	2.0
175.14748	5.5
177.12758	2.5
181.12201	1.0
185.13275	4.0
189.12682	1.4
191.14305	1.4
199.14757	2.5
202.07732	0.8
203.08476	1.3
203.14349	2.2
207.13766	1.2
209.15346	1.7
213.16353	3.3
217.15901	1.6
217.19540	2.7
220.08789	1.1
221.11726	37.5
221.15321	2.2
229.19257	1.0
231.07962	1.2
231.17438	2.0
231.21034	0.9
235.16766	1.9
241.19496	4.9
248.08311	3.4
249.18469	3.1
250.60332	0.7
259.07779	1.0
259.20557	8.6
263.10751	1.6
273.22000	1.3
276.07761	1.2
291.10205	9.9
291.16110	2.1
291.20023	2.4
291.23184	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	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03932	1.2
55.01867	1.9
55.05272	1.1
55.05513	15.4
57.03422	1.3
57.07076	6.7
59.04995	1.0
65.03963	1.0
67.05508	20.9
67.81992	0.7
69.03415	1.6
69.07069	29.1
69.42644	5.2
71.04980	3.1
71.08623	2.0
74.25159	0.6
79.05491	10.5
81.03407	1.0
81.07056	58.7
83.04973	1.2
83.08152	1.0
83.08623	15.7
84.04479	1.3
85.02885	0.8
85.06544	3.2
91.05480	5.0
93.07046	25.5
95.04942	2.7
95.08607	60.4
97.06532	4.1
97.10185	8.1
98.21522	1.3
99.08083	3.1
105.07030	8.8
107.04966	0.8
107.08595	25.5
109.02853	1.5
109.06509	2.8
109.10161	32.0
111.08085	10.0
111.11723	4.9
113.09658	0.9
117.03375	1.4
117.06976	1.1
119.08587	8.5
121.10145	18.3
123.08047	2.3
123.11712	24.0
125.09622	2.7
125.13234	0.8
127.03937	1.3
127.11267	1.1
131.08572	1.0
133.06520	1.0
133.10138	5.0
135.04369	0.9
135.08057	1.8
135.11699	12.1
137.13257	14.5
139.11203	3.3
145.02806	1.2
145.10161	0.9
147.04430	1.1
147.11664	6.7
149.09624	0.9
149.13269	17.6
151.07545	3.6
151.11255	1.0
151.14804	2.2
153.12737	2.3
156.26379	0.7
160.40096	0.7
161.09628	0.8
161.13278	5.4
163.03911	8.0
163.14833	10.3
165.12756	1.3
165.16371	1.0
167.14330	1.9
171.07892	0.8
171.11769	0.8
175.14859	1.8
177.06998	1.4
177.16380	6.0
178.07640	0.8
181.15875	1.1
189.06969	1.0
189.12762	0.8
189.16461	1.7
191.08604	1.5
191.17969	3.0
202.07776	6.0
203.08569	20.7
203.18010	3.5
205.06499	5.6
206.06999	0.9
207.13805	2.8
215.08582	0.9
217.19485	5.3
219.08034	4.4
220.08842	9.0
221.19011	0.9
231.05771	1.1
231.08052	23.0
232.08830	6.6
233.06000	3.8
245.09622	1.2
247.07568	4.2
247.24261	0.9
248.08337	30.3
249.08827	1.1
259.07574	10.1
260.08353	5.2
261.09128	0.8
263.06927	1.4
263.10675	16.8
273.18405	1.7
273.25778	9.4
274.10071	1.2
275.07050	1.1
276.07806	15.6
277.08444	1.3
291.06674	6.1
291.10141	100.0
291.19525	5.6
291.26825	35.8
292.10690	3.1
292.88388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.01867	3.9
55.05503	1.5
55.89828	1.6
56.96303	2.1
56.96569	28.1
57.03436	6.1
61.01146	1.6
61.02937	8.0
65.03943	2.7
67.05499	6.0
69.03440	9.4
69.75550	6.2
70.06595	9.3
70.98117	1.6
73.02917	10.2
77.00872	2.3
79.05491	11.7
81.03410	4.3
81.07054	21.0
82.07365	1.3
83.04993	2.5
84.08150	3.7
84.96036	3.3
85.01451	1.3
85.02898	13.8
87.04444	2.7
89.03948	1.5
91.05479	17.1
93.07055	7.2
94.04205	1.9
94.10694	1.2
95.04968	5.1
95.08621	9.4
97.02909	9.1
98.21460	2.6
98.97590	46.5
99.04439	2.1
99.97927	2.3
100.02462	4.4
101.00859	3.2
101.18510	1.2
102.96899	1.7
103.00661	1.5
105.00209	1.8
105.07021	6.3
107.04942	2.8
109.02877	2.5
109.06522	22.3
110.01289	2.4
110.97585	8.0
112.99133	1.9
113.06040	1.2
116.98637	14.5
118.06879	5.7
119.01833	7.0
119.04957	5.6
121.01614	2.9
121.06512	12.0
122.06832	1.8
123.01205	2.3
123.08065	5.6
124.99113	3.0
127.03913	5.2
128.02338	5.4
128.10695	1.5
128.98643	9.1
129.04004	1.6
130.02803	3.0
130.04977	1.8
130.08707	2.4
131.01874	3.2
134.99658	4.8
135.04472	1.6
137.05984	100.0
138.06361	4.5
139.02472	1.2
141.02211	1.6
143.00162	4.2
143.01913	5.2
144.98076	3.2
145.03479	2.3
145.04994	2.1
146.02336	1.7
146.99644	3.9
147.01271	1.7
149.01149	1.4
149.05984	5.2
151.00665	1.9
152.02332	1.4
152.98657	2.0
153.03966	2.7
155.05551	2.0
158.99661	15.1
159.05023	1.9
161.01265	3.2
161.02904	8.5
163.03943	8.7
164.07091	4.9
165.05504	2.1
167.07115	2.9
169.03517	1.7
170.03432	2.6
170.99632	4.8
171.04936	3.6
172.03963	2.2
173.01331	1.5
173.06599	3.1
174.98976	1.4
177.00716	13.0
177.02243	4.7
179.00136	1.5
179.03989	1.4
179.05609	2.9
180.05435	7.5
181.01906	1.9
181.03439	6.2
181.07094	4.7
182.03404	2.6
183.02338	2.5
183.05025	1.8
184.03911	5.5
187.04433	5.7
189.00700	3.7
189.04349	1.7
189.05969	6.1
191.03871	13.0
192.03810	2.0
192.05434	1.3
192.99985	1.4
193.04541	5.2
193.54535	1.7
195.03352	4.3
195.05000	1.4
196.05122	2.4
197.01207	4.5
197.04913	2.4
197.06569	3.3
197.55797	1.7
198.06575	3.2
199.04521	5.5
199.08212	6.4
200.04431	19.8
200.54550	1.5
201.00723	3.0
202.04169	2.5
202.55144	1.5
204.02843	1.8
205.00081	1.5
205.01814	2.0
205.03607	1.9
206.03348	2.6
206.99831	1.6
207.01736	1.9
207.05054	4.4
211.04604	1.5
213.03360	2.1
215.02158	2.7
215.03984	2.6
216.35487	1.3
219.01772	4.5
221.01241	1.8
223.01047	2.0
223.02837	2.9
224.04521	2.3
225.06126	9.7
225.07906	1.9
229.03867	2.6
232.03821	1.8
237.02811	4.2
239.02292	3.7
241.03867	4.2
243.07175	5.7
248.07745	2.3
251.04257	3.6
253.06415	3.0
266.08801	2.2
269.05008	4.4
273.06366	2.2
283.07642	4.5
285.02802	15.1
287.06033	1.9
292.06766	4.5
292.10437	2.8
292.16989	1.6
293.05975	1.6
303.03864	18.8
309.02847	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	292.1545
Annotation	syn-3-Isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
Peak:m/z	Relative Intensity
55.05478	0.9
56.05000	1.2
56.76485	0.4
67.05460	1.6
70.06556	0.9
79.05447	1.0
80.04948	0.5
81.07069	2.4
82.06560	0.6
83.04922	0.8
84.04462	1.4
84.08095	0.7
91.05486	2.4
93.07040	2.2
94.06534	0.7
95.08562	0.9
96.08107	0.6
97.82420	0.5
105.07060	2.3
106.06516	0.7
107.08576	0.8
108.04459	0.4
108.08083	0.5
109.06520	0.5
110.05999	0.9
112.07593	2.3
117.06974	0.8
118.06506	0.6
119.08518	1.2
120.08059	0.8
122.09617	0.5
128.06152	0.6
129.06915	1.2
130.06508	0.5
131.08537	1.8
132.08055	1.0
133.08899	0.6
133.10065	0.6
134.09627	1.0
138.09137	2.7
143.08508	1.2
145.10052	0.5
146.09616	0.6
148.11150	0.6
150.09041	0.5
157.10106	0.6
159.11688	0.8
162.09137	2.0
164.10706	1.2
174.09151	0.4
174.12895	0.6
175.08636	0.5
178.12250	0.6
192.13853	0.5
202.12250	0.6
202.15837	0.5
213.82382	0.4
216.13795	0.6
218.15393	1.1
220.16989	0.8
230.15414	1.7
246.15036	0.6
248.16481	100.0
249.16933	1.2
264.15952	1.1
277.08466	0.5
292.15469	90.8
292.18918	7.7
293.15845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97416	1.1
64.38599	1.2
69.85965	4.7
69.86373	2.4
98.20781	1.2
101.00893	2.0
109.45234	1.1
143.01938	6.3
155.01851	1.3
161.02921	4.1
173.03038	3.2
203.04033	3.2
243.43196	1.2
292.56958	1.2
293.06339	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	293.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03950	2.4
55.01866	0.8
55.05319	0.2
55.05516	3.1
57.03437	1.3
67.05515	0.7
69.03083	0.5
69.03440	6.6
69.07027	0.3
71.04996	1.1
71.51707	0.4
73.06547	0.6
76.69514	0.3
77.03922	0.5
79.05509	3.0
79.90718	0.3
81.03427	15.9
81.07065	1.5
83.04974	1.1
83.08576	0.3
84.08137	0.3
85.02914	5.6
91.05486	2.5
93.07052	8.2
95.04964	1.1
95.08609	1.3
97.02905	2.4
97.06551	0.7
99.04459	1.3
103.05476	32.0
105.04546	0.3
105.07031	2.6
107.04945	0.3
107.08616	2.0
109.02892	6.3
109.06508	0.9
109.10184	0.4
111.04440	0.6
116.06315	0.3
117.07036	0.3
119.08602	3.3
121.02873	0.3
121.06556	0.8
121.10166	7.9
123.08086	0.3
127.03965	1.7
129.05482	0.7
129.06996	0.4
130.04994	0.3
131.04941	100.0
131.08543	1.4
132.05296	0.4
133.10156	0.7
135.08092	0.6
135.11697	0.3
137.09592	0.3
139.11119	0.4
145.10089	0.4
147.04419	1.8
147.11743	0.4
149.02357	6.5
149.06015	3.1
149.09622	3.0
153.97134	0.3
157.10118	0.4
159.11687	0.5
164.07069	0.7
173.13277	0.5
175.07571	0.7
175.11244	0.6
177.23010	0.4
191.08582	0.3
203.07024	0.7
218.07321	0.6
219.08084	0.9
222.06895	0.3
232.08817	0.4
233.09665	1.1
234.10262	0.3
235.07541	1.0
243.02922	0.6
247.07611	0.7
250.06363	0.6
250.09892	0.4
261.03989	1.2
261.09109	1.6
262.09918	1.8
263.07056	0.6
265.08597	0.5
265.12286	0.8
275.09128	3.8
275.19965	0.6
278.05661	0.3
278.09467	1.4
293.07846	0.6
293.11520	4.8
293.13953	4.2
293.17505	1.4
293.21152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03950	2.4
55.01866	0.8
55.05319	0.2
55.05516	3.1
57.03437	1.3
67.05515	0.7
69.03083	0.5
69.03440	6.6
69.07027	0.3
71.04996	1.1
71.51707	0.4
73.06547	0.6
76.69514	0.3
77.03922	0.5
79.05509	3.0
79.90718	0.3
81.03427	15.9
81.07065	1.5
83.04974	1.1
83.08576	0.3
84.08137	0.3
85.02914	5.6
91.05486	2.5
93.07052	8.2
95.04964	1.1
95.08609	1.3
97.02905	2.4
97.06551	0.7
99.04459	1.3
103.05476	32.0
105.04546	0.3
105.07031	2.6
107.04945	0.3
107.08616	2.0
109.02892	6.3
109.06508	0.9
109.10184	0.4
111.04440	0.6
116.06315	0.3
117.07036	0.3
119.08602	3.3
121.02873	0.3
121.06556	0.8
121.10166	7.9
123.08086	0.3
127.03965	1.7
129.05482	0.7
129.06996	0.4
130.04994	0.3
131.04941	100.0
131.08543	1.4
132.05296	0.4
133.10156	0.7
135.08092	0.6
135.11697	0.3
137.09592	0.3
139.11119	0.4
145.10089	0.4
147.04419	1.8
147.11743	0.4
149.02357	6.5
149.06015	3.1
149.09622	3.0
153.97134	0.3
157.10118	0.4
159.11687	0.5
164.07069	0.7
173.13277	0.5
175.07571	0.7
175.11244	0.6
177.23010	0.4
191.08582	0.3
203.07024	0.7
218.07321	0.6
219.08084	0.9
222.06895	0.3
232.08817	0.4
233.09665	1.1
234.10262	0.3
235.07541	1.0
243.02922	0.6
247.07611	0.7
250.06363	0.6
250.09892	0.4
261.03989	1.2
261.09109	1.6
262.09918	1.8
263.07056	0.6
265.08597	0.5
265.12286	0.8
275.09128	3.8
275.19965	0.6
278.05661	0.3
278.09467	1.4
293.07846	0.6
293.11520	4.8
293.13953	4.2
293.17505	1.4
293.21152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.3
52.76055	0.1
53.03947	0.9
55.01865	0.3
55.05511	0.5
57.03432	0.6
61.02921	0.3
61.94289	0.2
67.05497	0.4
69.03432	4.2
69.07063	0.5
69.49622	1.0
71.04982	0.4
77.03938	0.5
79.05508	0.3
81.03423	6.2
81.07044	1.1
82.90000	0.2
83.04963	0.2
83.08617	0.4
84.89041	0.2
85.02908	5.1
90.43327	0.1
91.05483	0.3
93.07033	0.4
95.04971	0.5
95.08610	1.6
97.02896	1.6
97.10178	0.2
99.04456	0.7
102.04652	0.2
103.05470	30.7
105.04504	0.3
105.07025	0.2
107.08607	0.3
109.02886	2.7
109.10163	0.7
111.11695	0.2
118.67095	0.1
119.08601	0.3
121.10149	0.6
123.11705	0.6
127.03915	1.0
131.04932	100.0
132.05273	0.4
135.11722	0.2
137.13263	0.4
149.05995	3.2
149.13254	0.3
149.96130	0.1
153.12790	0.2
162.26366	0.2
204.32280	0.2
218.07278	0.2
219.08102	0.2
219.22746	0.2
233.09634	0.4
261.09088	0.5
262.09900	0.2
265.08835	0.2
265.12152	0.2
273.09644	0.2
275.09109	4.9
275.19937	0.2
278.09088	0.3
293.07794	0.3
293.10925	1.4
293.25244	0.2
293.28415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1171
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
53.03932	0.1
55.01877	0.7
55.05510	0.5
56.96560	0.1
57.07067	0.1
67.05505	0.8
69.03436	0.1
69.07083	0.5
71.52703	0.1
75.04481	0.3
77.84226	0.1
79.05489	0.9
81.03391	0.1
81.07058	1.4
83.08610	0.3
85.02914	0.1
85.06522	0.1
88.92482	0.1
91.05479	0.7
93.07032	0.7
95.04959	0.3
95.08620	0.9
97.06532	0.2
97.10162	0.3
103.05463	0.3
105.07037	0.6
107.04948	0.2
107.08578	0.6
109.06496	0.3
109.10173	0.6
111.08067	0.1
115.05444	0.2
117.07022	0.2
119.08564	0.4
121.06519	0.1
121.10127	0.4
123.08071	0.1
123.11681	0.3
125.09622	0.2
128.06201	0.5
129.07008	1.4
131.04922	0.4
131.08611	0.2
133.10091	0.3
135.04402	0.1
135.08174	0.1
135.11662	0.3
137.05011	0.2
137.05975	1.9
137.13235	0.2
143.08569	0.1
145.06459	0.3
145.10152	0.2
147.11626	0.2
149.06000	0.1
149.09598	0.1
149.13162	0.1
151.11145	0.1
155.04854	0.1
155.08487	0.1
157.06494	2.0
158.07275	0.1
159.11662	0.2
161.05994	0.1
163.05426	0.1
164.07135	0.2
165.07001	0.4
167.08679	0.1
171.11659	0.1
173.13162	0.1
176.06229	0.2
177.06931	0.1
178.07732	0.5
179.08562	1.1
179.38892	0.1
181.06541	0.3
186.06781	0.1
189.06926	1.4
189.11198	0.1
190.07770	3.4
191.08559	2.8
192.09267	0.3
193.06503	0.2
193.10150	0.4
194.07254	0.4
195.08000	0.2
201.07234	0.2
201.09099	1.2
202.07777	2.0
202.09521	0.2
203.08568	3.9
204.09296	0.8
205.06551	0.7
205.10130	1.2
206.07271	0.3
207.08043	5.6
208.08711	0.3
209.09612	0.1
214.07773	0.2
215.08617	1.4
216.09073	0.2
217.06546	0.5
218.07269	10.1
219.08052	17.5
220.05312	0.2
220.08820	1.0
221.06262	0.5
221.09647	2.1
222.06772	0.7
222.10414	1.2
223.07390	0.2
229.06551	0.1
230.07199	0.6
231.08052	8.2
232.08818	2.0
233.05861	0.5
233.09615	18.6
234.06979	0.7
234.10403	6.9
235.07544	12.9
236.08006	0.5
237.09061	0.3
238.09871	0.3
243.09280	0.2
245.05966	0.3
245.09608	1.7
246.06784	3.0
247.07549	12.2
248.04707	0.2
248.08311	1.2
249.05960	0.1
249.09099	4.3
250.06131	0.8
250.09898	5.4
251.10730	0.9
257.18948	0.2
259.07596	0.4
260.08298	1.3
261.09109	28.2
262.09885	37.6
263.07040	10.5
263.10492	1.1
264.07654	0.4
264.11374	0.4
265.08533	1.2
265.12201	5.9
275.10669	6.3
275.20078	1.0
276.11380	0.5
277.08597	2.4
278.09363	21.1
279.09955	0.5
291.10141	0.3
292.10809	0.4
293.11685	100.0
294.12329	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1231
Annotation	Itoside L
Peak:m/z	Relative Intensity
53.03949	0.9
55.01855	2.4
55.05520	0.7
56.96556	0.9
57.03431	4.0
57.07077	8.3
59.04985	1.2
61.02929	7.6
65.03934	1.4
67.05508	15.0
68.08618	0.6
69.03429	13.1
69.07060	1.9
70.06586	1.0
70.34048	1.8
71.04993	5.7
72.08138	1.8
73.02913	3.3
79.05476	1.5
80.03009	0.6
81.03419	4.2
81.07038	0.9
83.04977	0.5
84.04505	1.9
84.08142	10.4
85.02905	69.5
85.06538	5.4
85.08495	0.8
86.03166	0.6
86.09695	0.7
87.04485	1.8
91.03966	3.0
91.05472	1.9
93.07033	0.8
95.04970	21.3
96.88175	0.5
97.02299	1.0
97.02891	14.6
97.06541	7.3
98.97585	3.3
99.04459	2.4
100.99126	0.5
103.03941	0.7
105.07014	1.1
109.02885	6.4
109.06505	0.8
110.97578	0.7
111.08016	0.6
112.11227	2.0
113.06007	38.0
113.11612	1.6
116.98605	0.9
119.04957	1.3
121.06501	2.0
122.26784	0.6
127.03922	13.3
129.13861	0.8
130.05006	4.1
130.08661	2.1
131.07040	100.0
137.06000	2.9
139.07545	0.8
145.04955	16.0
147.04396	2.3
149.05995	1.2
160.05188	0.7
161.05978	0.6
161.07169	0.7
163.03979	0.9
163.06128	2.8
163.07301	0.6
164.07069	11.9
175.07533	0.6
248.12718	0.9
251.07889	0.7
287.87671	0.6
293.11264	3.7
293.14984	8.7
293.20520	1.6
294.09628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1383
Annotation	40321-98-0
Peak:m/z	Relative Intensity
51.20242	0.8
53.03955	8.5
55.01855	0.9
55.05243	1.4
55.05514	28.2
57.03432	2.0
59.29436	0.8
64.94476	0.8
65.03938	0.9
67.05506	2.3
69.03089	1.4
69.03434	18.9
70.76353	1.0
70.81770	0.8
71.04993	3.2
71.41369	1.4
71.41695	0.8
71.76510	0.7
73.06562	8.5
79.05497	15.3
81.03424	59.4
81.07070	2.3
83.04967	2.1
85.02909	5.2
91.05485	14.4
93.07050	43.8
95.04980	2.4
95.08611	1.5
97.02892	7.0
97.06553	1.1
99.04436	5.2
103.05492	4.6
105.04516	0.9
105.07040	10.4
107.04956	1.7
107.08599	8.9
109.02885	25.6
109.03613	1.8
109.10152	1.1
111.04441	1.2
111.08101	0.9
113.06112	0.9
116.06234	1.4
117.07061	0.9
117.44738	0.8
119.08591	11.1
121.02876	4.8
121.06517	1.5
121.10149	43.2
123.11728	1.0
127.03931	4.7
129.05479	1.8
129.06978	4.1
131.04951	10.7
131.08559	9.3
133.10075	1.2
135.08119	1.2
137.05934	0.9
143.04901	1.4
143.08669	0.9
145.06494	1.1
145.10199	1.9
147.08138	1.1
149.02353	100.0
149.09624	22.1
159.11688	1.1
160.46434	0.8
161.06026	4.0
164.07066	0.9
167.10719	0.9
175.07570	14.5
203.07048	26.8
205.06647	1.2
247.13309	0.9
261.09229	1.0
275.12830	4.7
275.19971	0.9
283.40814	0.8
293.08130	2.1
293.11148	2.7
293.13895	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	4.0
55.01679	0.8
55.01878	9.4
55.05267	1.8
55.05513	20.0
56.96554	1.5
57.03434	2.6
57.07073	2.9
65.03941	1.5
67.05506	25.9
69.03434	2.5
69.07074	22.8
70.09167	3.4
71.04999	3.0
77.03926	1.0
79.05497	33.3
81.03420	7.6
81.07056	34.2
83.04969	5.8
83.08622	11.5
85.02903	4.3
85.06542	2.3
89.19318	1.0
91.05486	23.4
93.07052	22.1
95.04970	7.4
95.08611	22.5
97.06527	17.2
97.10169	12.6
99.08093	1.6
103.05468	17.2
105.07037	25.8
107.04965	6.1
107.08597	54.4
108.41171	0.9
109.02943	1.3
109.06516	7.6
109.10155	13.0
111.08096	3.2
111.11783	1.2
113.06034	1.0
113.09599	1.1
115.05425	1.4
117.07021	9.5
119.08577	17.3
121.06522	4.1
121.10162	11.2
123.08095	4.7
123.11718	5.7
125.09650	9.7
129.07028	2.2
131.04933	45.2
131.08583	9.8
133.06502	1.5
133.10138	17.3
135.08009	4.6
135.11705	6.0
137.09613	3.0
139.11185	1.0
143.08562	1.8
145.10123	12.4
147.06779	0.9
147.07997	1.2
147.11694	11.9
149.05968	2.4
149.09619	16.7
149.13254	2.8
151.11165	5.0
153.09097	1.4
157.10115	2.0
159.11679	7.9
161.09625	2.2
161.13263	4.0
163.11214	6.5
163.14926	1.0
165.09125	3.9
169.10030	2.0
171.10287	1.0
171.11679	2.4
173.09637	1.1
173.13268	5.2
175.11201	2.1
175.14854	1.5
177.12830	2.1
179.14301	1.1
183.11707	2.5
185.13361	1.3
187.11229	2.7
187.14760	1.3
189.11230	7.6
189.12718	2.1
195.77336	1.1
197.13248	2.5
201.12744	1.6
215.14246	1.6
218.07239	1.5
219.08081	2.7
219.17404	1.2
229.19548	3.0
229.57144	1.0
231.08238	1.6
233.09691	2.2
235.07472	2.7
239.17999	4.0
247.07521	1.8
247.20583	3.8
257.19040	10.3
261.09128	3.7
262.09830	5.6
263.07187	1.2
270.10938	1.5
275.20065	100.0
278.09323	1.5
293.08133	2.0
293.11630	15.3
293.14911	1.9
293.21097	21.9
293.28171	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03948	2.1
54.85180	0.5
55.01871	2.2
55.05514	20.5
57.03452	2.7
57.03675	0.5
57.07078	8.3
65.03935	1.1
67.05508	30.9
69.03432	2.2
69.07071	31.6
71.04992	1.8
71.08633	3.3
71.51964	0.6
75.40545	0.5
79.05502	22.8
81.03408	3.2
81.07060	100.0
83.04978	2.2
83.08620	19.8
85.02907	2.3
85.06551	8.7
85.10170	1.8
91.05490	12.8
93.07050	21.9
95.04986	3.4
95.08611	82.2
97.06526	3.6
97.10178	13.9
99.04455	1.0
99.08098	4.8
103.05471	8.4
105.07040	16.0
107.04964	1.4
107.08601	41.5
109.02866	1.7
109.06538	4.5
109.10162	48.7
111.04438	0.6
111.08107	1.9
111.11733	5.0
113.09664	1.4
115.64668	0.5
117.07025	2.8
119.06098	0.9
119.08597	10.0
121.06510	1.6
121.10155	10.3
123.08081	1.5
123.11710	20.3
125.05944	0.5
125.09624	3.8
125.13311	2.4
127.11205	1.2
129.07022	1.8
131.04936	25.2
131.08563	5.1
133.10150	8.8
135.08070	2.1
135.11702	7.5
137.09639	0.9
137.13260	10.0
138.06871	0.5
139.11188	0.7
141.12794	0.5
143.08551	1.2
145.10114	6.8
147.08179	0.6
147.11690	6.1
149.05989	0.8
149.09595	3.3
149.13277	8.2
151.11148	0.6
151.14836	11.6
153.09105	0.7
153.12740	0.7
157.10179	1.6
159.11717	5.3
161.09570	0.9
161.13275	3.6
163.11179	2.7
163.14806	4.1
164.07092	0.8
165.16383	3.6
167.14330	1.0
169.10173	0.8
171.11699	1.0
173.13309	1.6
175.11197	0.9
175.14871	1.3
175.79868	0.6
177.16397	2.2
179.17960	1.7
181.12335	1.1
183.11745	1.1
185.13257	3.8
189.11229	3.9
191.17998	1.3
197.13277	0.5
201.16461	1.0
203.14330	2.9
205.19569	1.8
207.08093	1.0
218.07144	1.4
219.08072	2.4
219.17477	2.1
219.21042	1.1
221.15378	4.4
223.20593	0.7
227.12817	2.2
229.19524	0.8
233.06154	0.7
233.09618	2.3
234.10490	0.9
235.07498	1.1
237.22224	0.5
239.17941	2.9
247.07576	1.8
247.20554	0.8
257.18976	5.7
261.09207	2.3
262.09891	3.9
263.07010	1.8
265.08676	0.6
275.08707	0.6
275.20081	37.2
275.27277	4.3
278.09171	2.5
293.08237	1.2
293.11691	11.2
293.14783	1.1
293.21124	4.9
293.28409	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.64025	1.4
53.03934	4.7
55.01874	22.5
55.05276	1.7
55.05515	25.6
57.03427	2.8
57.07071	11.9
58.84914	1.2
65.03941	1.5
67.05507	33.1
68.19173	1.2
69.03416	2.5
69.06721	2.1
69.07072	20.2
70.91320	3.1
71.72261	1.3
77.03903	1.3
79.05492	44.2
81.03407	6.1
81.07057	27.3
83.04978	9.1
83.08611	13.4
85.06514	1.4
91.05479	30.8
93.07050	27.2
95.04995	9.1
95.08608	23.4
97.05941	2.1
97.06535	30.9
97.10178	15.7
105.07033	37.1
107.04962	10.7
107.08598	82.8
109.06516	7.0
109.10184	13.1
111.04436	3.8
111.08081	2.9
117.07027	7.5
119.07805	1.9
119.08580	16.7
121.06477	4.4
121.10139	12.5
123.08054	4.3
123.11700	3.4
125.05996	2.0
125.09614	14.0
131.08574	10.5
133.10133	20.0
135.04387	1.8
135.08081	4.4
135.11662	6.0
137.05980	6.9
137.09624	2.2
143.08578	1.9
145.10115	12.5
147.10812	1.4
147.11711	12.6
149.09630	15.7
149.13217	2.9
151.11162	6.3
153.05453	3.7
157.10091	1.8
159.11713	10.1
161.13252	3.7
163.03909	1.5
163.11159	6.2
165.09158	3.4
169.10127	1.6
171.10210	1.4
171.11687	3.8
173.11778	1.8
173.13240	4.5
175.11157	1.9
177.12767	2.5
181.04959	5.3
181.12166	3.3
183.11761	3.3
187.11247	3.7
189.11230	12.7
189.12743	2.3
191.10661	7.3
195.10100	1.9
197.13342	1.7
209.11638	14.5
219.10144	2.2
229.19513	1.9
233.11798	2.0
237.11221	27.4
239.17963	6.1
247.20514	3.7
257.18961	9.5
257.21219	1.5
275.20068	100.0
276.20404	1.7
293.11526	4.4
293.18503	2.1
293.21170	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.02383	1.4
53.03935	4.2
55.01878	16.4
55.05513	30.4
57.03426	3.2
65.03951	2.0
67.05506	30.7
69.03438	4.5
69.07068	18.4
69.95379	3.5
69.95777	2.3
71.04994	2.3
79.05494	48.8
81.03414	5.7
81.07059	29.1
83.04980	7.1
83.08626	14.2
85.06551	3.2
91.05482	27.1
92.17800	1.3
93.07046	32.7
95.04981	7.3
95.08607	21.1
97.06533	21.4
97.10174	18.5
105.07038	34.6
107.04961	7.4
107.08598	82.5
109.06535	3.9
109.10161	10.2
111.08067	2.5
117.07011	7.8
119.08601	19.8
121.06480	2.1
121.10133	11.2
123.08064	4.4
123.11710	3.2
125.09629	19.2
129.07010	2.6
131.08565	12.9
133.06467	1.5
133.10126	20.0
135.08032	4.3
135.11690	7.8
137.05984	4.1
137.09615	2.0
137.44975	1.4
141.07016	2.6
143.08577	1.5
145.10112	14.4
147.11690	14.4
149.09636	16.2
149.13367	1.3
151.11176	4.0
153.09090	1.9
155.22801	1.4
157.10123	3.0
159.11642	7.6
160.56195	1.5
161.13251	4.7
163.11159	6.4
165.09093	3.7
169.10141	2.4
171.10210	2.1
171.11699	2.9
171.96106	1.4
173.11792	1.6
173.13257	3.9
175.11272	2.2
177.12720	1.8
179.14249	1.9
181.12193	1.9
182.59290	1.5
183.11649	1.9
187.11234	3.1
189.11227	12.7
189.12766	2.0
190.08365	1.3
215.42229	1.6
223.13339	1.5
229.19550	4.0
239.18001	5.0
247.20502	6.7
257.18997	13.9
262.09909	2.3
275.20065	100.0
293.11688	3.0
293.21072	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03946	1.8
53.10398	0.7
55.01891	3.3
55.05268	1.0
55.05513	10.2
57.03437	1.5
57.07076	2.4
59.05002	0.7
67.05505	21.6
69.03428	1.9
69.07071	19.1
70.96322	1.5
71.04984	2.2
77.03916	0.7
79.05497	16.2
81.07058	26.6
83.04991	6.6
83.08627	6.3
85.06529	1.0
91.05486	16.6
93.07049	17.7
95.04964	5.9
95.08000	0.8
95.08608	15.9
97.06526	3.5
97.10176	2.1
105.07041	20.5
106.94206	0.7
107.04961	5.8
107.08604	13.7
109.06521	9.5
109.10159	10.0
111.08077	1.4
117.07018	5.5
119.08592	11.3
121.06521	8.6
121.10146	6.8
123.08074	4.0
123.11716	2.9
125.09618	2.0
129.06998	1.7
131.08560	11.9
133.06541	1.5
133.10127	15.4
133.11095	0.9
135.08047	4.2
135.11676	3.8
137.09628	2.7
143.08574	1.9
145.06496	1.8
145.10126	10.4
145.25555	0.7
147.08037	2.7
147.11693	9.7
149.09639	4.9
149.13274	2.4
149.93689	0.6
151.11183	6.3
155.04892	0.8
155.08551	2.0
157.10147	3.1
159.08023	1.3
159.11700	5.4
161.09653	2.3
161.13287	2.7
163.11194	4.5
163.14886	0.8
165.12669	0.7
169.10161	0.9
171.11787	1.6
173.09631	2.5
173.13287	4.5
175.11183	1.6
175.14742	1.0
177.12737	1.6
183.11674	2.1
185.13138	0.8
187.11232	2.4
189.12857	1.2
191.14351	2.2
197.13229	1.5
199.14876	0.9
201.12836	2.9
205.19479	1.2
207.13855	2.4
213.06905	0.7
215.14400	1.0
215.17984	1.7
217.15602	0.7
219.13698	4.5
228.95929	0.7
229.19536	3.0
233.15480	1.1
233.19035	0.8
239.17903	3.9
247.20462	3.4
257.19046	15.3
257.21609	1.3
275.20074	100.0
293.21127	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	293.2113
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03934	4.6
55.01876	10.1
55.05516	59.8
57.03431	3.9
57.07073	1.6
57.92784	1.2
59.04998	3.0
67.05508	53.1
69.03422	4.2
69.07076	15.6
69.81783	5.8
71.04986	5.0
77.03926	2.7
79.05498	90.7
81.03407	4.2
81.06599	1.8
81.07060	32.4
83.04512	1.4
83.04990	22.6
83.08628	17.2
85.06551	2.5
91.05489	35.7
93.07051	48.4
95.04955	7.4
95.08613	15.3
96.95324	1.4
97.06529	4.6
97.10175	22.7
99.08083	1.6
105.04533	1.9
105.07040	39.7
107.04967	41.4
107.08603	68.8
109.06529	1.8
109.10169	20.5
111.04415	1.7
111.08076	3.9
117.07023	12.4
119.06099	1.3
119.08584	29.5
121.06497	3.8
121.10149	22.0
123.08121	2.0
123.11709	8.9
125.09634	29.8
129.07013	3.0
131.08571	14.9
133.10141	26.5
135.08076	10.0
135.11708	6.8
137.09656	1.7
143.08583	1.4
143.10646	2.2
145.10133	10.1
147.11711	17.3
149.09630	86.7
149.13254	2.8
151.11163	2.6
153.09138	7.6
157.10085	1.9
159.11696	9.8
161.13274	8.3
163.11203	3.0
163.14810	4.3
167.10684	2.4
169.12224	5.0
171.10172	4.1
171.11621	2.0
173.11737	3.9
173.13295	5.6
175.14839	1.6
177.12700	2.4
178.82964	1.2
181.12259	1.7
183.11571	2.5
187.11118	2.8
187.13312	4.2
187.14838	1.7
189.11234	22.9
191.14331	2.7
197.13258	3.0
209.11697	1.4
209.15419	8.6
215.14325	1.9
215.17995	2.9
229.19556	8.8
233.15245	2.2
237.11224	3.4
237.18384	1.7
239.18033	2.6
247.20627	3.9
257.19028	22.5
275.20078	100.0
293.21082	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.86671	1.2
53.03951	6.3
55.01863	6.2
55.05516	23.2
57.03434	4.5
57.07063	1.6
65.03939	1.6
67.05506	49.3
69.07076	24.0
69.43430	8.9
71.04995	4.6
75.92895	1.4
79.05498	44.8
81.03411	6.8
81.07062	100.0
83.05009	9.0
83.08618	14.4
85.06532	3.1
86.96239	1.3
91.05487	33.8
93.07052	28.6
95.04976	15.5
95.08618	31.8
97.06534	8.9
97.10179	5.4
99.08143	1.4
105.07040	36.8
107.04950	7.4
107.08601	29.9
109.06525	24.8
109.10169	15.4
111.08091	7.0
117.07015	8.8
119.08589	37.4
121.06519	5.3
121.10152	16.1
123.08081	11.5
123.11727	7.2
125.09648	4.8
129.07018	3.3
131.08563	14.0
133.10138	25.9
135.08104	6.4
135.11696	5.7
137.05969	3.1
137.09596	6.8
143.08574	2.4
145.01425	1.3
145.10147	14.0
147.11687	17.8
149.09612	10.2
149.13264	5.4
150.57397	1.3
151.11183	5.6
157.10149	4.3
159.11661	8.9
161.09659	2.2
161.13280	3.2
162.13326	1.3
163.11143	7.6
165.12724	3.3
171.11668	2.9
173.09689	1.7
173.13290	4.9
174.81905	1.3
177.12811	3.2
183.11644	2.8
187.11192	1.5
189.11194	2.4
193.12236	3.7
201.12785	1.8
223.13248	1.8
229.19475	3.7
237.14777	2.9
239.17969	5.2
247.20692	5.8
257.19000	9.8
275.20074	84.9
283.02097	1.6
293.21133	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	2.3
55.01878	7.9
55.05513	24.4
57.03447	1.1
57.07084	1.6
59.05016	0.9
65.03932	1.3
67.05509	20.8
69.03415	2.5
69.07066	11.4
69.39457	5.9
71.04985	2.4
74.81928	1.1
79.05496	40.4
81.03394	2.7
81.07059	18.7
83.04994	4.7
83.08620	13.4
85.02894	1.7
85.06538	1.9
91.05479	24.0
93.07042	17.6
95.04958	3.4
95.08605	11.3
97.06534	8.6
97.10173	19.9
98.21468	1.6
105.07037	28.6
107.04956	7.4
107.08596	100.0
109.02883	1.1
109.06518	5.7
109.10171	7.6
111.08073	1.6
117.07030	6.6
119.06059	1.5
119.08590	12.9
121.06520	2.6
121.10115	5.8
123.08082	2.1
123.11668	3.3
125.09639	17.9
131.08565	7.3
133.10135	12.9
135.08089	4.1
135.11702	2.6
137.09650	1.6
143.08540	2.2
145.10114	10.3
147.08040	1.9
147.11694	10.5
149.09624	10.9
149.13228	0.9
149.39920	0.9
151.11217	1.7
153.09077	1.1
153.12709	1.2
155.08537	0.9
157.10101	1.8
159.11717	5.9
161.13248	3.2
163.11172	4.0
163.14864	1.2
165.09088	1.4
169.10106	2.0
171.10229	2.1
171.11690	2.3
173.11829	1.1
173.13249	2.2
177.12749	1.2
181.12241	3.1
183.11678	2.7
185.13268	1.1
187.11227	1.8
187.14771	1.2
189.11218	15.7
189.12764	1.8
197.13217	1.0
215.17796	0.9
215.60796	0.9
219.07945	1.1
229.19640	2.2
233.09720	1.2
239.18098	4.2
247.20570	1.3
257.18997	8.9
261.09109	2.3
275.20071	74.7
290.21820	1.1
293.08429	1.3
293.11627	6.1
293.21167	8.9
293.28043	1.7
311.00818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	4.9
55.01878	10.2
55.05276	1.6
55.05518	24.9
55.88787	1.0
57.03447	2.9
57.07069	3.6
59.05004	1.1
65.03938	2.1
67.05511	40.2
69.03437	3.8
69.07072	27.2
71.05000	3.9
71.51860	1.6
79.05500	37.4
81.03431	6.7
81.07065	78.3
83.05003	6.5
83.08633	16.9
85.02897	1.3
85.06532	3.4
86.41735	1.2
91.05485	29.0
93.07051	29.5
95.04969	12.0
95.08616	38.5
97.06541	15.1
97.10185	12.6
99.08106	2.4
103.05477	5.4
105.07040	33.8
105.85270	1.1
107.04964	9.2
107.08603	39.7
107.09318	2.5
109.06518	14.4
109.10165	20.5
111.08096	4.6
111.11713	1.4
113.09667	1.2
117.07036	9.6
119.08585	23.0
121.06508	4.8
121.10152	22.0
123.08100	8.4
123.11723	10.6
125.09637	8.2
129.07040	3.2
131.04941	8.6
131.08578	11.9
133.06444	1.9
133.10126	22.9
135.08102	5.8
135.11703	10.0
137.09604	4.9
137.13261	4.7
139.11191	2.9
141.07047	1.8
143.08560	2.5
145.06473	1.9
145.10133	12.8
147.08029	2.2
147.11702	16.2
149.09631	15.3
149.13295	7.0
151.07581	1.4
151.11134	5.6
155.08630	1.5
157.10190	3.3
159.11697	13.0
161.09601	1.7
161.13200	5.6
163.11206	11.1
163.14803	2.7
165.09123	3.6
165.12790	3.3
169.10172	2.6
171.11723	3.3
173.09622	1.3
173.11928	1.2
173.13194	6.7
175.11197	2.2
177.12759	4.0
183.11707	1.7
185.13326	1.4
187.11246	1.9
187.14865	2.1
189.11224	3.7
189.12808	1.5
193.12276	2.1
197.13255	2.8
201.12775	1.6
207.13808	1.6
213.16441	1.4
215.17957	1.4
219.08156	1.4
229.19539	5.5
233.19086	2.0
239.17967	7.0
247.20604	7.4
250.06310	2.2
257.19040	11.7
261.08975	1.9
265.21704	2.2
275.20090	100.0
293.08032	4.5
293.11185	7.8
293.21155	32.1
293.28293	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	293.284
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.07434	0.8
53.03943	1.7
55.01871	1.7
55.05519	21.2
56.96582	0.9
57.03428	2.0
57.06837	0.8
57.07088	11.2
60.93118	0.7
61.09117	0.7
65.03934	1.4
67.05511	28.1
69.07076	31.5
69.37611	3.0
69.38044	3.4
71.04984	1.3
71.08620	3.3
79.05505	12.0
81.03435	1.2
81.07065	100.0
83.04977	1.6
83.08160	1.5
83.08628	20.8
84.08125	0.8
85.02901	1.2
85.06553	10.5
85.10201	1.2
91.05505	4.4
93.07059	14.3
95.04958	1.4
95.08617	79.3
97.06541	1.9
97.10182	14.7
98.21534	1.7
99.08097	7.7
103.05506	1.0
105.07031	3.7
107.04927	0.9
107.08605	14.3
109.06558	1.4
109.10167	46.2
111.08069	3.1
111.11727	8.8
113.09648	2.5
117.07047	0.9
117.95975	0.8
119.08580	3.2
121.10162	9.7
123.10828	1.6
123.11718	25.9
125.09657	3.2
125.13268	3.2
129.06985	1.3
131.04956	1.4
131.08589	1.6
133.06480	0.8
133.10150	1.9
135.11714	8.0
137.05971	1.3
137.13263	10.5
139.11188	0.8
147.04457	1.0
147.11678	1.4
149.09616	1.4
149.13272	9.0
151.14835	8.1
157.06483	1.2
159.11708	1.8
163.14828	4.8
163.67688	0.8
165.16423	5.0
177.16400	2.7
179.08548	1.5
179.17902	2.1
189.11267	1.2
190.07790	2.9
191.08629	2.1
191.17928	1.5
202.07896	0.8
203.08589	2.6
205.19534	2.5
207.08087	3.7
208.08926	0.9
218.07281	8.4
219.08060	10.6
219.21086	2.2
221.09740	1.4
222.06819	1.2
222.10365	0.8
223.20613	0.9
231.08051	5.9
232.08806	1.8
233.06027	0.9
233.09662	13.5
234.10393	3.5
235.07568	7.8
237.22134	0.9
245.09557	1.0
246.06868	1.6
247.07539	8.7
249.09174	2.8
250.06201	1.0
250.09796	3.6
261.09134	20.2
262.09912	23.0
263.07077	8.0
263.09857	1.3
265.08527	1.4
265.12305	3.8
275.10623	3.5
275.20026	6.9
275.27313	5.0
277.08545	1.1
278.09381	12.1
279.10178	1.2
293.08026	6.2
293.11703	69.4
293.21136	5.0
293.28400	27.2
294.12268	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2841
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03958	2.9
55.01876	2.6
55.05517	20.8
55.05788	1.0
57.03438	1.1
57.07085	9.2
59.04989	0.9
61.31123	0.6
65.03934	0.9
67.05511	33.8
69.03442	1.9
69.07076	35.5
69.44980	0.6
69.74710	1.2
69.75095	1.9
71.04999	1.6
71.08640	3.6
72.08156	0.7
74.36208	0.6
79.05502	14.7
81.03417	1.5
81.07066	100.0
83.05000	1.1
83.08630	19.5
84.08195	0.6
85.02919	1.8
85.06554	9.2
85.10207	1.8
88.71608	0.8
91.05481	6.4
93.07055	16.0
95.04989	2.4
95.08618	88.7
97.06518	3.9
97.10184	13.1
98.14732	0.7
98.97556	0.8
99.08103	5.6
103.05498	3.1
105.07050	6.4
107.04980	2.2
107.08604	19.6
109.02846	0.7
109.06543	2.0
109.10169	53.8
111.04484	0.7
111.08098	4.4
111.11728	6.5
111.72269	0.7
113.09661	1.8
117.07043	1.7
119.08594	4.1
120.71511	0.6
121.06466	1.1
121.10165	10.7
123.08105	1.2
123.11717	24.4
125.09676	2.8
125.13305	3.2
127.11248	1.1
129.07021	0.8
130.04988	0.7
131.04944	7.7
131.08574	1.9
133.06540	1.0
133.10141	3.6
135.08040	1.1
135.11728	6.4
137.13271	10.3
139.14847	0.9
141.12764	0.8
145.10153	2.6
147.04462	1.4
147.11722	2.3
149.09631	2.9
149.13278	10.0
151.07555	3.6
151.11238	1.0
151.14825	12.9
152.67537	0.7
157.10138	1.0
159.08073	1.1
159.11703	2.0
161.06061	1.8
161.09610	1.1
161.13315	1.2
162.06807	0.6
163.11188	1.7
163.14848	5.3
164.07140	1.0
165.06969	0.8
165.09209	1.1
165.16374	4.0
167.14284	1.4
169.10048	0.7
171.94360	0.7
173.13258	0.9
177.16388	3.2
179.08617	0.7
179.17999	2.6
183.13446	0.8
189.11208	1.5
191.10587	1.1
191.18042	1.4
193.19514	0.8
195.08110	0.6
203.08667	1.4
205.19542	1.9
207.08076	1.4
209.18996	0.8
210.71184	0.7
218.07263	0.9
219.08109	2.2
219.21187	2.6
221.06049	1.2
222.06842	0.9
223.20541	0.8
229.19601	0.7
231.08066	1.0
233.09680	2.6
234.10350	1.6
235.07573	2.1
247.07600	1.4
247.20787	0.9
249.09183	1.3
249.25844	1.0
257.19144	1.4
261.09161	4.8
262.09982	4.3
263.07175	1.9
264.58612	0.8
265.08563	1.0
265.12170	1.0
272.09784	2.1
272.59839	1.4
273.59088	1.1
275.20084	14.8
275.23126	0.8
275.27319	5.5
278.09418	2.7
281.10242	6.4
281.60333	6.4
282.10394	2.1
285.11127	0.8
287.00681	0.7
290.10794	1.2
292.61017	2.9
293.07883	1.8
293.11649	17.6
293.14923	1.2
293.21219	6.5
293.28400	31.1
295.10254	1.2
313.11600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.284
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03938	2.9
55.01874	1.1
55.05516	29.1
57.07079	25.3
64.19650	0.8
67.05510	37.6
69.07072	60.3
69.31722	6.8
71.04991	1.9
71.08637	9.8
78.09826	0.7
79.05492	12.3
81.07060	91.4
83.08624	47.7
83.09053	0.8
85.06551	12.3
85.10187	4.6
89.16470	0.7
90.11351	0.7
91.05463	4.6
93.06483	1.7
93.07048	24.6
93.07632	1.4
95.08613	100.0
97.06537	3.4
97.10172	24.4
99.08099	9.7
103.05441	0.9
105.07047	2.4
107.08601	29.4
107.93188	0.8
108.84425	0.7
109.10162	72.6
111.08092	11.6
111.11735	16.0
113.09615	2.6
119.08506	0.9
121.10149	17.4
121.12962	0.7
123.11714	39.2
125.09628	6.1
125.13264	6.2
125.20957	0.8
125.39062	0.7
131.04979	0.8
135.11682	14.3
137.13261	22.9
139.11189	3.5
139.14813	3.2
149.13269	38.2
151.14833	7.4
153.12750	6.2
155.14398	1.0
163.04314	0.8
163.14812	9.8
165.16414	6.5
167.14320	11.0
169.15884	1.1
177.16357	3.3
179.17938	6.0
181.15833	1.3
191.17961	2.3
193.19571	4.4
200.21045	0.8
205.19496	3.1
219.21085	3.1
223.20657	1.4
237.22093	1.6
247.24249	1.8
249.25853	5.1
275.27377	12.3
293.08112	0.9
293.11618	1.2
293.28400	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	294.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05502	0.6
57.07069	0.6
58.02958	0.2
58.96014	0.2
58.96391	0.2
62.64382	0.2
67.05500	0.8
69.99109	1.0
71.08614	0.4
79.05487	0.9
80.05782	0.2
81.07053	2.0
85.02859	0.2
91.05473	0.7
91.61977	0.3
92.05834	0.3
93.07059	0.2
94.04202	1.9
97.06510	0.3
105.07023	0.3
105.96138	0.2
106.07379	0.3
107.04960	0.3
107.08594	0.9
108.08974	0.4
109.06499	0.2
119.08576	0.2
122.03649	6.1
123.11729	1.6
133.10068	0.3
133.41153	0.2
137.05981	100.0
138.06334	0.4
141.12761	0.3
158.15404	1.6
170.15407	2.5
226.34729	0.2
276.20432	1.1
279.96466	0.2
294.12885	0.3
294.21054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2066
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
52.35950	0.2
55.01874	0.5
55.05507	0.4
56.05842	0.2
57.07061	0.6
58.02970	0.3
59.20347	0.2
63.68240	0.2
66.04714	0.3
67.05496	1.3
69.07068	0.2
69.20006	1.7
71.08627	0.3
74.83662	0.2
79.05484	0.9
81.07047	1.8
83.04963	0.2
84.49307	0.2
86.97926	0.2
91.05482	0.9
92.05838	0.3
93.07018	0.3
94.04189	1.7
95.08596	0.5
97.06567	0.3
97.10182	0.3
98.06850	0.2
105.07047	0.4
105.88455	0.2
106.07383	0.3
107.04934	0.3
107.08597	0.9
108.08944	0.7
109.06509	0.2
109.10117	0.3
109.13992	0.2
119.08553	0.3
122.02758	0.3
122.03650	6.0
123.11697	1.4
134.10417	0.2
137.05980	100.0
138.06352	0.4
141.12802	0.3
142.41695	0.2
146.10455	0.2
146.37883	0.2
148.11931	0.2
158.15408	1.7
170.15396	2.3
181.71754	0.2
182.79482	0.2
230.19925	0.2
244.59335	0.2
258.19193	0.3
264.94876	0.2
276.20401	1.9
284.10522	0.2
294.12372	0.2
294.20935	0.8
295.09879	0.2
295.12985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1026
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.11802	0.4
52.11676	0.4
53.03952	1.0
55.01873	2.5
55.05513	0.9
57.03441	49.1
59.05006	2.1
61.02933	14.1
64.80450	0.5
66.15708	0.5
67.05504	1.5
69.03434	49.8
69.07072	0.7
70.06593	1.4
71.01361	9.3
71.04996	1.4
71.35693	0.4
71.52246	0.6
72.08164	1.0
73.02923	100.0
79.05506	1.9
81.03426	4.9
81.07059	1.6
83.04981	1.6
84.04513	0.7
84.08157	2.1
85.02911	71.1
86.09735	0.6
87.04477	4.9
91.03970	1.7
91.05495	1.3
93.07056	1.9
95.04990	1.5
95.08620	2.8
97.02898	62.0
98.97607	1.2
99.04446	2.7
101.02382	0.7
102.05582	0.9
103.03961	1.7
103.05489	0.6
105.07027	3.0
107.04968	4.4
107.50662	0.5
109.02901	6.5
109.06510	1.4
110.97585	0.5
111.04448	1.4
111.08094	2.0
115.03936	68.7
119.04999	0.6
119.08582	0.9
120.08118	1.9
121.06516	0.7
123.04425	0.9
123.08096	1.7
125.02367	0.4
127.03927	17.1
129.54811	0.5
130.05017	3.4
131.04826	0.5
131.08517	0.5
133.04974	18.6
134.03831	0.5
135.04411	0.9
135.11714	0.5
136.07527	0.5
137.04977	0.5
137.05972	3.4
138.09142	1.7
140.07079	0.5
141.09081	1.2
145.04968	17.7
145.10132	1.1
147.04427	1.9
149.05998	0.6
149.11523	0.6
151.03893	1.0
155.06982	1.1
157.05017	0.7
163.03905	1.4
163.06018	5.2
163.07283	0.7
164.07098	1.3
165.07504	0.7
166.08688	2.7
173.04578	0.5
173.09592	0.6
175.07513	0.7
177.05534	0.8
181.04933	0.8
189.09161	0.8
193.05002	1.6
221.06044	1.1
223.06120	2.4
233.17368	0.8
235.11243	0.9
241.07063	3.4
243.47592	0.5
249.05434	1.1
259.07962	2.3
263.10739	0.6
272.27560	0.5
277.15894	0.6
295.05905	1.1
295.09933	2.1
295.13016	3.6
295.16528	1.5
311.06360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11802	0.4
52.11676	0.4
53.03952	1.0
55.01873	2.5
55.05513	0.9
57.03441	49.1
59.05006	2.1
61.02933	14.1
64.80450	0.5
66.15708	0.5
67.05504	1.5
69.03434	49.8
69.07072	0.7
70.06593	1.4
71.01361	9.3
71.04996	1.4
71.35693	0.4
71.52246	0.6
72.08164	1.0
73.02923	100.0
79.05506	1.9
81.03426	4.9
81.07059	1.6
83.04981	1.6
84.04513	0.7
84.08157	2.1
85.02911	71.1
86.09735	0.6
87.04477	4.9
91.03970	1.7
91.05495	1.3
93.07056	1.9
95.04990	1.5
95.08620	2.8
97.02898	62.0
98.97607	1.2
99.04446	2.7
101.02382	0.7
102.05582	0.9
103.03961	1.7
103.05489	0.6
105.07027	3.0
107.04968	4.4
107.50662	0.5
109.02901	6.5
109.06510	1.4
110.97585	0.5
111.04448	1.4
111.08094	2.0
115.03936	68.7
119.04999	0.6
119.08582	0.9
120.08118	1.9
121.06516	0.7
123.04425	0.9
123.08096	1.7
125.02367	0.4
127.03927	17.1
129.54811	0.5
130.05017	3.4
131.04826	0.5
131.08517	0.5
133.04974	18.6
134.03831	0.5
135.04411	0.9
135.11714	0.5
136.07527	0.5
137.04977	0.5
137.05972	3.4
138.09142	1.7
140.07079	0.5
141.09081	1.2
145.04968	17.7
145.10132	1.1
147.04427	1.9
149.05998	0.6
149.11523	0.6
151.03893	1.0
155.06982	1.1
157.05017	0.7
163.03905	1.4
163.06018	5.2
163.07283	0.7
164.07098	1.3
165.07504	0.7
166.08688	2.7
173.04578	0.5
173.09592	0.6
175.07513	0.7
177.05534	0.8
181.04933	0.8
189.09161	0.8
193.05002	1.6
221.06044	1.1
223.06120	2.4
233.17368	0.8
235.11243	0.9
241.07063	3.4
243.47592	0.5
249.05434	1.1
259.07962	2.3
263.10739	0.6
272.27560	0.5
277.15894	0.6
295.05905	1.1
295.09933	2.1
295.13016	3.6
295.16528	1.5
311.06360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
54.33360	1.0
55.01838	1.3
55.05513	15.4
57.03423	2.3
57.07067	4.1
59.04995	2.2
67.05505	21.4
69.03433	3.4
69.07063	9.4
69.79536	4.6
71.04672	1.0
71.05001	8.4
76.95531	1.0
79.05505	9.9
81.03421	22.6
81.07059	100.0
81.44150	1.1
83.04980	2.3
83.08609	3.5
85.06561	6.4
89.06028	1.4
91.05486	3.9
93.07053	11.1
93.60668	1.1
95.04961	7.1
95.08608	23.6
97.02895	1.9
97.06523	2.0
97.10178	8.3
98.21459	1.1
99.04465	2.8
99.08101	1.1
105.07019	5.2
107.08590	5.3
109.02885	42.2
109.06510	5.0
109.10153	4.0
110.03653	4.0
111.03219	1.1
111.04456	6.0
111.08078	2.0
119.08595	1.9
121.06495	2.4
121.10186	5.4
121.17789	0.9
123.04408	1.6
123.08086	2.2
123.11709	62.6
125.02367	4.6
127.02975	2.2
127.03923	38.4
130.05011	1.0
133.06529	2.1
133.10153	4.3
135.04448	1.1
135.08105	2.9
137.06006	1.6
139.11192	2.3
141.12715	1.3
145.10115	3.0
149.09647	1.8
151.07533	1.3
151.11166	8.9
154.37500	1.1
159.11697	1.2
163.03957	1.4
163.07532	2.0
169.12227	9.3
181.63441	1.1
185.13287	2.0
187.11122	1.2
187.13318	2.1
203.14413	1.4
205.12372	1.0
219.13861	2.0
231.13893	1.1
249.15076	2.7
269.11075	1.0
277.14417	5.7
295.06357	2.1
295.09833	3.3
295.15454	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.154
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
53.03949	4.4
55.01871	1.3
55.05513	12.5
57.03423	1.3
57.07067	5.0
58.35899	1.0
59.04977	1.7
65.03915	1.0
67.05505	20.5
69.03450	4.1
69.07068	8.6
71.03268	1.9
71.04995	9.1
79.05497	7.9
81.03423	24.2
81.07057	100.0
83.04988	1.6
83.08626	2.8
85.02908	1.2
85.06551	5.0
89.06015	1.5
91.05473	2.2
93.07050	11.6
95.04967	6.2
95.08612	24.0
95.58999	0.8
97.02875	2.6
97.06513	1.2
97.10175	6.9
99.04439	1.8
99.08076	2.0
103.93554	0.8
105.07027	5.2
107.08581	4.6
109.02879	46.4
109.06519	2.6
109.10146	4.1
110.03679	3.9
111.04434	5.3
111.08078	2.6
113.09622	1.3
119.08550	2.5
119.79314	0.8
121.06499	2.3
121.10164	5.2
123.08067	2.4
123.11708	57.8
125.02388	4.3
127.03918	32.7
131.08531	1.4
133.06543	1.3
133.10130	3.9
135.04385	1.2
135.08076	2.1
135.11746	1.2
137.05983	2.3
139.11206	2.2
141.12743	1.3
142.28029	1.0
145.10118	2.3
149.05946	0.8
149.09581	0.9
151.11162	8.9
152.25769	0.8
157.10191	0.9
159.11725	1.3
163.07562	1.8
169.12219	6.9
185.13269	0.9
187.13280	2.8
219.13756	1.3
231.13866	1.3
249.14780	1.7
277.14279	5.4
295.09814	2.9
295.15427	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1543
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
53.03935	4.4
55.01857	1.3
55.05270	1.2
55.05516	14.3
57.03451	1.8
57.07068	2.4
59.04995	1.7
67.05507	21.4
69.03426	6.0
69.07064	8.4
71.05000	8.6
71.52061	1.6
79.05503	9.2
81.03426	24.2
81.07061	100.0
83.05007	2.5
83.08626	3.4
85.02900	2.8
85.06544	6.6
89.06036	1.1
91.05486	4.6
93.07040	10.2
95.04977	7.0
95.08613	22.5
97.02916	2.6
97.06550	1.5
97.10177	9.3
99.04483	1.4
99.08086	1.5
105.07012	6.9
107.08620	5.6
109.02889	40.3
109.06521	3.5
109.10147	1.8
110.03667	4.1
111.04461	5.2
111.08012	1.2
115.03956	1.1
119.08612	2.5
121.06497	1.3
121.10149	6.4
123.00954	1.2
123.04391	1.2
123.08031	1.6
123.11713	60.5
125.02416	2.9
127.03926	30.8
131.04897	1.4
131.08562	1.8
133.10110	3.0
135.08061	3.4
135.11708	1.1
137.06020	2.2
139.11188	3.0
141.12758	2.4
145.10149	2.4
149.05963	1.3
149.09656	1.6
151.07570	1.8
151.11182	7.9
161.54716	1.0
163.03909	1.5
163.07565	1.4
169.12250	6.5
177.12755	0.9
181.04968	2.0
185.13283	1.6
187.13298	1.2
219.13857	1.3
221.06071	2.3
231.13950	1.4
235.69450	1.0
249.14958	2.5
277.14355	5.2
295.06488	2.0
295.09921	2.3
295.15491	59.5
296.15509	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
55.05514	14.9
55.46604	1.1
56.50305	0.9
57.03452	1.4
57.07074	4.0
57.18367	1.0
59.05006	1.7
59.56661	1.1
67.05510	20.9
69.03429	2.5
69.07081	7.1
69.91283	3.1
69.91701	2.2
71.05000	8.0
79.05505	8.6
81.02945	1.0
81.03424	25.0
81.07063	100.0
83.04993	1.8
83.08621	3.2
85.02900	1.9
85.06541	6.7
89.06004	1.2
91.05489	2.8
93.07050	11.7
95.04967	8.6
95.08608	24.1
97.02905	1.6
97.06532	1.5
97.10171	7.9
99.04472	1.4
99.08123	2.1
102.88390	1.2
105.07037	5.1
107.08604	3.6
107.92216	1.0
109.02888	40.1
109.06529	4.5
109.10184	3.5
110.03691	4.3
111.04453	5.9
111.08054	1.6
121.06512	1.0
121.10162	4.7
123.04477	1.0
123.08078	1.4
123.11713	60.8
125.02370	3.8
127.03928	34.5
131.08560	1.5
133.10143	4.7
135.08092	2.1
137.06023	3.1
139.11230	2.3
145.10149	2.0
149.05959	1.9
149.09637	2.1
151.07544	1.5
151.11220	8.8
159.11789	1.0
163.03955	1.9
169.12239	10.7
171.11674	1.1
183.88866	1.1
185.13225	1.8
187.13361	1.8
203.08688	1.6
203.14450	1.7
213.12872	1.0
219.13780	1.3
231.13963	1.6
235.07501	1.2
235.11208	1.3
249.08987	1.1
249.14894	2.4
277.14243	5.5
280.07141	1.1
295.06351	2.1
295.09851	4.0
295.15503	64.5
295.18478	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	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03943	2.3
55.01853	2.7
55.05521	16.2
57.03421	4.1
57.07072	3.3
59.04987	1.3
64.51299	1.2
65.03931	1.9
67.05510	32.8
67.26304	1.3
69.03391	1.2
69.07068	15.5
71.04972	1.5
71.08636	39.5
74.62691	1.4
79.05074	2.3
79.05498	34.7
81.03403	4.5
81.07062	38.2
83.04976	9.3
83.08626	9.3
85.06529	1.7
91.05482	21.9
93.06491	2.7
93.07050	44.5
95.04984	6.3
95.08067	2.0
95.08619	29.0
97.06541	6.9
97.10165	3.2
98.21553	3.2
99.07512	2.0
99.08104	28.5
105.07034	13.5
107.04929	4.7
107.08596	25.7
109.06495	3.3
109.10162	13.3
111.08060	3.7
111.11715	1.4
113.47206	1.4
117.07011	3.8
119.08596	11.8
121.06507	3.4
121.10159	23.1
123.08060	1.8
123.11705	1.5
127.11215	1.7
129.06952	2.2
131.08569	3.7
133.10136	8.3
135.11696	32.8
137.09624	3.2
141.09109	3.4
143.08575	1.7
145.10104	3.9
147.11720	4.0
149.13307	8.3
151.11197	11.4
153.12784	2.4
157.10107	1.9
159.11739	1.6
161.13255	7.8
163.11183	3.3
163.14803	2.2
165.12863	1.6
171.11682	2.6
175.14789	1.3
177.12759	3.2
179.14325	100.0
181.02919	1.3
185.13223	2.1
189.12708	1.7
195.13835	2.7
207.17255	1.3
213.16423	1.5
221.15387	2.2
235.16951	2.5
241.19478	2.7
259.20581	3.0
259.73819	1.4
277.21628	44.9
295.13300	3.3
295.24167	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	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.15753	0.7
53.03950	10.9
55.01867	4.2
55.05514	21.0
57.03434	3.0
57.07080	5.4
59.05013	1.0
59.29239	0.9
63.36803	0.8
65.03940	1.9
67.05508	39.8
69.03445	2.3
69.07071	28.7
69.59758	4.0
71.04988	3.5
71.08630	3.3
71.43722	0.9
73.02911	0.8
79.05501	27.9
81.03423	47.0
81.07060	41.1
83.04985	12.5
83.08615	8.5
85.06544	2.4
85.10181	2.6
91.05484	16.8
93.07048	27.0
93.07642	1.3
95.04975	26.5
95.07996	0.9
95.08608	16.8
97.06532	3.3
97.10187	5.5
99.08105	3.8
100.60355	0.7
100.75149	1.0
105.07037	15.3
107.08588	17.9
109.06522	6.0
109.10168	12.5
111.08108	4.0
117.07029	2.4
119.08572	11.9
121.06515	3.3
121.10175	7.1
123.08070	2.5
123.11722	7.1
124.14154	0.8
125.09637	5.8
125.46133	0.8
129.07037	2.6
131.08582	4.6
133.06500	1.3
133.10135	14.7
135.08086	5.2
135.11699	6.2
137.06013	2.6
137.09619	1.7
137.13231	1.3
143.08559	1.7
145.10120	2.0
147.08075	1.2
147.11699	12.9
149.09613	2.3
149.13278	4.7
151.11191	39.5
151.14821	1.0
153.09125	4.4
153.12796	1.3
157.10139	3.0
159.11670	1.4
161.09624	1.5
161.13251	9.0
163.11140	1.0
163.14882	4.6
165.09187	0.9
165.12729	6.9
171.10274	1.7
171.11725	4.4
173.13229	1.9
175.11227	1.2
175.14827	2.9
177.12726	1.1
179.10757	1.3
179.14301	4.4
185.13217	2.7
189.11237	1.4
189.12796	3.2
193.12311	2.3
199.14749	1.0
203.08601	0.8
207.13826	3.2
214.64352	0.9
217.19580	2.4
220.08910	1.6
221.15373	1.8
231.17560	1.0
231.21078	8.2
235.11148	4.9
241.19508	4.1
248.08345	0.9
249.22083	4.5
253.96150	0.9
259.20584	7.7
261.64178	0.8
262.15384	0.9
263.10733	2.4
264.11487	1.7
277.21643	100.0
295.06232	0.9
295.10010	1.4
295.13269	10.5
295.20251	1.3
295.23123	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.52389	2.9
53.03938	5.1
55.01872	27.8
55.05515	54.3
57.03427	8.2
57.07067	11.7
67.05509	75.1
69.03429	7.1
69.07066	41.1
70.70345	7.9
71.04982	5.3
71.08633	32.8
71.33313	2.9
75.84257	2.4
79.05494	45.3
81.03424	14.5
81.06589	5.9
81.07057	79.2
83.04994	15.0
83.08625	35.3
85.02885	3.3
85.06544	4.7
85.10146	5.2
91.05475	35.8
93.07047	67.1
95.04965	15.4
95.08614	49.1
97.06530	11.2
97.10176	18.8
99.08093	33.2
102.40619	2.9
105.07037	37.9
107.04913	5.4
107.08593	30.8
109.06506	11.3
109.10164	22.3
110.85316	2.8
111.08095	43.2
113.09647	7.5
117.07030	7.5
119.08556	23.9
121.06495	20.4
121.10155	24.2
123.08057	5.4
123.11687	9.3
125.09646	16.2
129.06995	6.4
131.08578	11.4
133.06512	7.0
133.10138	29.0
135.07965	5.2
135.11731	22.9
137.05952	21.3
137.09624	4.7
139.11150	14.3
143.08528	3.8
145.10141	6.9
147.08026	5.1
147.11723	18.4
149.09627	5.7
149.13287	22.7
151.11185	24.1
153.09146	3.5
153.12791	4.9
157.10164	7.5
159.11697	8.1
161.13231	18.2
163.03891	3.5
163.11191	12.3
163.14809	3.4
165.12767	18.4
171.10214	4.3
171.11671	7.7
173.13280	4.7
175.11215	7.4
175.14822	3.3
177.12737	6.1
179.14334	13.6
181.12227	4.0
185.13228	5.9
189.11339	16.1
192.09297	3.4
193.12198	4.0
195.13805	6.9
202.07732	3.6
203.08592	8.3
204.09312	8.6
205.59312	3.0
207.13792	3.9
220.08836	10.3
221.05841	3.0
221.15363	4.5
231.21112	8.4
233.15323	3.9
235.11235	24.5
235.16786	3.8
241.19461	6.5
244.51671	3.3
245.09546	5.5
248.08148	4.1
249.09149	4.3
249.22200	3.5
259.20547	11.7
263.10788	22.5
264.11401	6.9
277.21628	100.0
295.06015	4.9
295.09833	6.7
295.13257	91.5
295.19785	4.6
295.22668	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	295.2996
Annotation	Cassipourol
Peak:m/z	Relative Intensity
53.03587	2.4
53.03931	3.0
55.01870	3.6
55.05515	44.6
57.03431	3.1
57.07080	51.3
67.05199	2.1
67.05508	38.5
69.07074	86.3
71.04975	3.2
71.08635	34.9
71.52435	4.2
74.86359	2.5
79.05492	12.4
81.07062	87.1
83.08167	4.3
83.08621	65.3
85.06564	18.5
85.10197	15.8
91.05469	10.5
93.07023	11.9
93.45576	2.3
95.04963	4.0
95.08614	88.5
97.06507	3.6
97.10173	48.1
99.08097	16.4
105.07017	7.8
107.08575	10.3
109.10160	51.6
111.11728	48.0
119.08574	6.7
121.06505	26.1
121.10120	6.6
123.11703	23.7
125.09690	2.2
125.13285	20.3
133.10114	3.6
135.11659	3.7
137.05992	17.8
137.13266	13.2
139.14813	5.0
145.10109	2.9
147.11577	3.3
151.11176	3.1
151.14818	12.0
153.16357	3.1
158.20836	2.5
163.11261	2.5
165.16364	4.1
169.15935	3.8
179.17976	3.3
187.07625	2.6
191.08467	3.6
202.07851	3.1
203.08508	6.0
204.09305	6.9
205.06441	4.1
219.08035	2.9
220.08784	12.6
221.09540	3.3
235.11206	35.0
245.09587	6.1
248.08325	5.5
249.09084	7.6
263.10687	30.3
264.11392	13.8
277.21643	15.8
277.28738	3.5
280.10880	6.4
295.06012	4.5
295.09750	8.3
295.13254	100.0
295.23950	3.8
295.29953	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01861	4.7
56.96299	2.6
56.96565	34.4
57.03426	6.5
57.07084	1.7
60.95816	1.6
61.02679	1.2
61.02932	11.3
65.03915	2.0
67.05512	4.0
68.99822	1.7
69.03437	12.7
70.33158	1.7
70.98132	8.4
71.04975	1.9
71.95284	2.5
73.02901	6.3
79.05502	9.9
81.03412	6.2
81.07057	23.7
82.07378	1.7
84.08126	2.2
84.96026	7.2
85.02916	29.9
86.03223	2.0
87.04425	2.1
88.99147	1.7
91.05489	18.3
92.05843	1.9
93.07035	4.4
94.04196	1.5
95.04949	2.0
95.08601	3.3
97.02910	10.8
98.97588	56.6
99.04438	3.6
99.08067	7.2
99.97898	2.3
101.00852	4.6
101.95029	6.3
102.96854	2.4
103.03941	4.4
103.05456	2.9
105.07039	3.1
107.04952	5.9
107.08555	5.8
109.02852	4.6
109.06513	21.5
110.01309	1.6
110.97575	13.0
113.21178	1.6
116.98614	19.0
119.01882	6.9
119.02637	1.5
119.04930	6.7
120.97922	1.6
121.06503	13.4
123.08058	2.4
124.99126	3.0
127.00685	2.1
127.03933	5.8
128.98608	13.6
131.00143	3.4
131.04932	3.0
133.06479	1.5
134.99619	3.6
135.04427	3.5
135.10191	2.2
136.02808	2.2
137.05983	100.0
138.06363	8.7
139.01556	2.7
140.03381	1.5
140.98541	1.8
143.00162	5.4
143.01991	1.8
145.01643	2.2
145.04996	2.9
145.06456	2.0
146.99666	13.5
147.04433	7.6
149.01244	2.5
149.05991	5.5
152.98558	2.0
154.96608	1.6
155.01881	1.6
158.99667	16.4
161.01260	2.0
161.02844	2.5
161.05931	2.5
162.99083	2.3
163.02690	1.9
163.03903	9.5
164.07091	2.7
165.00688	5.0
165.05482	10.7
165.10263	1.7
167.07036	3.2
168.01804	1.8
170.99721	3.7
172.97581	2.7
173.02823	1.7
173.06010	3.4
175.02556	5.0
175.03972	2.0
177.00758	9.9
177.05496	7.0
178.03920	2.9
178.53958	2.1
179.00159	4.3
179.03590	2.1
181.02661	1.7
182.07954	1.6
187.04427	22.2
187.07596	2.3
187.54556	11.1
188.05086	2.3
189.00714	4.0
189.05617	3.1
190.98534	2.3
191.03857	1.9
191.06992	2.5
193.01653	2.2
193.04965	2.7
195.05025	1.7
196.04973	5.7
196.55196	2.6
197.01205	3.2
197.04890	2.0
199.03790	2.8
201.00711	2.4
205.00232	9.6
205.01930	1.9
205.05078	3.5
206.99689	1.7
208.05000	1.9
211.02689	7.8
215.02225	2.0
215.07066	4.8
219.01746	7.9
219.06573	3.6
220.02190	2.1
220.04170	2.6
220.06064	3.5
221.05101	2.1
223.01222	4.7
223.05486	2.9
225.00710	3.1
225.06177	1.8
228.04672	3.5
229.03819	9.3
230.04399	1.7
231.06627	2.3
232.99738	1.5
236.04413	3.5
236.54630	3.3
237.02783	4.9
237.06178	8.3
241.03818	3.8
241.07600	1.9
243.01659	1.7
245.07101	1.9
247.01268	6.7
251.05057	1.9
252.05670	4.0
253.03976	2.5
255.07236	7.3
256.96487	2.2
261.07501	2.1
265.02234	1.7
271.05124	1.7
274.97595	7.4
275.00485	1.5
277.09552	1.7
279.03906	4.7
279.08649	6.4
292.98453	3.4
293.10837	2.4
294.11172	2.2
295.07275	2.2
297.11612	4.6
297.14645	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	297.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01873	3.6
55.05513	1.1
57.03429	1.0
65.03944	1.1
67.05502	6.2
68.99791	3.9
69.03087	1.4
69.03436	17.7
69.67051	3.5
71.01360	23.7
73.02936	6.0
79.05496	9.6
81.03416	1.5
81.07060	19.6
83.01330	0.7
83.04984	9.4
85.02919	2.9
91.05490	6.6
93.07025	1.3
95.04975	8.9
97.02897	11.4
97.06524	1.0
98.21472	1.5
105.07028	1.4
107.04959	11.4
108.15621	0.7
109.02904	1.0
109.06521	30.0
109.07272	1.5
111.04441	4.7
113.02380	14.5
115.03931	8.3
117.07069	0.8
119.04948	3.9
121.06514	5.4
123.04430	1.9
125.02328	1.4
125.05973	1.7
127.03890	0.9
127.07632	1.1
133.06496	1.4
135.04433	1.7
137.05984	100.0
143.03407	10.4
149.05972	1.7
153.05499	2.0
155.07031	8.1
163.03879	0.8
163.07561	1.4
165.05525	1.0
169.04988	1.6
173.05962	0.8
174.06993	0.7
177.05473	1.0
179.07013	1.1
187.07555	1.2
191.07051	1.5
205.08693	0.8
207.06496	1.1
233.08058	1.8
249.07503	1.1
251.09187	2.7
267.08652	11.3
279.08685	1.4
297.09689	67.4
303.10419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67079	0.6
53.03935	1.9
55.01879	4.8
55.05499	1.1
57.03431	2.8
57.64577	0.6
60.84221	0.7
65.03928	1.7
67.05510	6.1
68.99789	3.6
69.03436	18.0
69.07061	1.7
70.56486	2.0
71.01360	6.1
73.02923	4.7
79.05503	13.5
81.03428	3.3
81.07062	23.6
83.04987	12.9
84.08158	0.9
85.02911	12.7
86.09729	1.1
87.04477	1.6
90.80132	0.6
91.05476	6.2
93.07048	2.4
95.04979	11.0
95.08627	0.9
97.02905	6.0
97.06569	1.0
98.21411	0.9
99.04469	1.1
101.02374	2.9
103.05457	0.9
105.07043	3.5
107.04967	37.9
109.02847	1.4
109.06526	45.5
111.04449	2.6
113.02391	5.1
113.06020	1.6
115.03926	3.6
115.05450	1.0
119.04966	4.8
121.06517	4.8
122.42717	0.7
123.04455	1.2
123.08091	0.9
125.06004	2.1
127.03919	2.4
127.07566	2.4
133.03189	1.4
133.06516	2.3
134.03508	0.9
135.04451	1.1
135.50946	0.8
137.05988	100.0
139.07542	1.0
143.03409	3.2
145.06445	0.8
146.65421	0.6
149.06050	1.4
151.03979	1.2
151.07558	2.2
153.05525	1.3
155.07051	21.4
161.04694	0.8
161.05905	3.3
164.07095	2.0
165.05589	0.9
173.05968	1.5
177.05426	1.2
179.07065	2.7
187.07558	0.9
191.07057	0.8
201.03952	1.3
205.06551	0.8
207.06587	0.9
215.07112	1.2
233.08119	1.2
251.09166	1.9
255.08833	0.8
261.07779	0.7
267.08676	3.2
279.08685	2.4
282.09064	0.8
296.65421	1.3
297.09613	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	297.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65736	2.3
53.03945	6.4
53.70515	2.4
54.65975	2.8
55.01870	7.6
55.05507	12.6
56.87491	2.7
57.03440	16.6
57.07064	3.1
59.75770	2.5
61.02922	7.6
67.05505	21.2
69.03435	46.9
69.07088	16.3
69.72038	13.7
71.01348	3.3
71.04993	10.5
73.02908	8.0
75.14714	2.6
79.05510	21.7
81.03427	26.8
81.07060	37.9
83.04979	9.0
83.08599	3.8
85.02440	4.5
85.02916	67.1
87.04467	7.0
91.05484	28.1
93.07050	100.0
95.04964	9.9
95.08619	30.9
97.02905	35.7
97.06527	6.9
99.03876	3.1
99.04443	15.9
103.03942	7.2
105.07041	44.2
107.04967	10.5
107.08601	94.7
109.02876	15.8
109.06525	12.9
109.10162	27.5
111.04471	8.5
115.03930	7.5
116.13669	2.6
117.07016	9.2
117.73252	3.1
119.08576	25.0
121.06510	7.1
121.10146	32.3
123.04389	3.7
123.08083	4.2
123.11714	11.7
127.03093	2.4
127.03944	18.7
129.05550	5.1
129.07043	7.4
130.07784	2.7
131.08624	15.7
133.06506	4.7
133.10147	28.7
135.08037	8.2
135.11697	96.6
137.06015	4.4
137.09602	5.3
137.13293	3.6
142.07791	4.4
143.08557	7.3
145.04944	7.3
145.06493	3.2
145.10110	16.3
147.08017	9.4
147.09181	7.1
147.11723	28.1
149.09659	3.4
149.13287	7.1
151.07628	3.4
151.11179	9.1
153.12767	41.8
155.08582	5.7
157.10121	7.3
159.11746	15.7
161.09647	2.5
161.13280	4.1
163.08694	5.6
163.11166	6.2
165.09096	3.2
165.12770	6.2
171.11713	6.0
173.09685	4.7
173.13242	3.4
175.08720	11.0
175.11153	5.8
177.05457	3.6
177.09178	2.6
177.12761	17.8
179.07060	2.7
181.10059	2.7
183.11711	3.3
183.98930	2.7
187.11235	2.8
189.12772	6.4
195.11687	2.9
201.12740	8.8
207.13742	4.3
215.14307	5.5
219.13826	7.2
220.07655	2.8
243.13817	7.1
261.14801	15.2
262.10889	2.6
279.13306	3.1
279.16052	19.8
297.11365	4.7
297.17163	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	297.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
53.96588	3.8
55.01871	11.9
55.05507	20.8
55.06169	4.3
57.03445	10.1
57.07074	6.8
67.05520	62.0
69.03445	9.6
69.07073	28.9
70.71368	4.0
70.75874	5.9
70.76199	6.4
70.88762	3.8
71.04999	100.0
79.05496	47.4
81.03414	7.1
81.07063	80.9
82.47808	4.4
83.04979	6.7
83.08614	11.5
85.06549	56.1
91.05489	48.9
93.07048	78.2
95.04945	5.7
95.08619	63.8
97.06545	11.8
97.10145	5.4
99.08092	13.4
105.07044	23.4
107.04958	34.2
107.08590	33.0
109.02879	11.7
109.06512	4.7
109.10157	29.0
109.47678	4.4
111.08082	18.2
113.09644	8.3
117.07032	7.0
119.08600	30.7
121.10155	47.8
123.11731	22.8
125.09596	5.7
127.03921	4.7
127.11259	5.5
131.08595	15.2
133.10141	24.8
135.08038	4.9
135.11685	20.7
137.05984	15.6
139.11208	6.8
141.06943	4.3
145.10149	10.5
147.11690	14.7
149.13243	5.5
151.07571	11.3
151.11200	8.5
159.11670	14.4
161.13263	13.5
163.14853	6.5
173.13268	8.9
175.14850	36.9
178.66689	4.5
194.07263	9.8
205.06535	7.5
221.05957	4.3
222.06799	8.8
233.05995	5.2
237.09116	17.4
237.11618	8.2
243.21120	8.5
250.06277	5.5
251.06961	6.7
261.22311	5.2
265.08661	40.6
265.11356	5.7
267.06738	4.1
279.23260	13.8
282.08789	7.1
297.11160	48.2
297.14044	23.5
297.17194	13.7
304.62253	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80445	0.5
56.96303	0.6
56.96570	6.7
58.10203	0.4
60.89692	0.4
69.93519	2.4
71.95271	2.5
87.86759	0.5
98.97591	100.0
99.21229	0.4
101.57888	0.4
116.87048	0.4
116.98629	29.0
121.36147	0.5
130.93294	1.0
134.99681	4.8
140.00226	0.8
172.94350	5.2
190.95418	2.1
197.23727	0.5
197.95125	0.5
214.95399	4.2
232.96539	4.0
250.97638	1.5
256.93649	0.6
256.94235	0.3
256.96454	20.2
274.97522	80.8
287.06061	0.6
292.98566	34.6
297.99136	1.8
299.64069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09937	0.5
56.96572	9.7
57.03439	0.6
61.02937	1.1
64.17535	0.6
65.09965	0.6
69.03424	0.9
69.80186	3.3
69.80505	0.5
70.98116	0.7
71.95274	3.2
72.51379	0.7
73.02913	1.4
79.05494	1.3
80.18817	0.6
81.07069	0.9
85.02918	2.1
97.02934	1.1
98.97591	100.0
107.08565	0.9
109.06511	1.0
109.97509	0.6
110.97576	1.4
116.98634	30.1
117.83363	0.6
119.04992	0.7
123.08053	0.7
128.98654	0.7
130.93275	0.9
134.99657	5.6
136.06203	6.7
137.06000	2.0
140.00137	0.7
158.99655	1.7
160.00128	0.7
166.07236	5.3
166.24663	0.6
172.94325	5.0
177.00636	0.8
187.54539	0.8
190.95436	2.0
197.04752	0.7
205.67917	0.6
208.04919	0.9
210.11188	0.8
214.95300	3.7
219.01695	1.0
229.03929	0.7
232.96471	4.8
250.97581	2.0
256.96445	17.6
257.06973	3.1
274.97531	69.4
275.07977	3.8
277.02585	0.6
292.98572	28.5
295.07104	0.7
297.98996	0.9
298.12415	0.7
316.00168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.097
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
55.01863	0.1
61.01154	4.8
69.03440	0.5
69.79255	0.6
74.01917	0.1
75.02708	2.4
77.19652	0.1
85.54105	0.1
94.04060	0.4
97.02900	1.2
103.02179	0.5
107.04919	0.1
119.03564	0.8
122.34935	0.1
136.06192	100.0
137.04575	0.3
137.06567	0.4
145.03189	1.7
163.04242	1.0
163.05246	0.1
207.96362	0.1
222.75769	0.1
228.82921	0.1
298.09695	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	298.2742
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
52.49937	1.6
54.49992	1.1
55.05515	10.5
56.05026	5.2
57.07064	4.0
58.02954	1.3
59.44675	1.3
60.04522	4.3
65.84798	1.3
67.05510	16.2
68.52939	1.3
69.03411	1.8
69.07072	12.9
69.77336	5.4
71.08636	1.4
72.82848	1.2
79.05492	12.2
80.05015	2.2
81.03454	1.3
81.06651	1.6
81.07063	15.4
82.06566	5.8
82.30413	1.1
83.08631	8.3
86.06069	1.8
87.04489	1.6
91.05461	7.5
92.90275	1.3
93.07062	6.7
94.06564	2.7
95.08617	13.2
96.08160	1.2
97.10159	2.3
98.06072	1.7
99.55165	1.2
100.07613	1.9
105.07010	3.8
107.08594	3.2
108.08112	1.4
109.10146	4.9
116.98649	1.3
119.08560	4.0
121.10171	4.0
122.42577	1.2
123.11726	1.4
133.10178	2.8
135.07994	1.2
135.11697	2.0
136.06163	5.4
235.89140	1.3
250.25328	7.1
254.08850	1.4
262.25351	2.8
263.23584	2.1
268.67093	1.3
280.26364	100.0
283.09540	1.6
294.80829	1.3
298.11481	4.2
298.18826	1.6
298.27451	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2743
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
53.03943	1.6
55.05265	0.9
55.05511	10.2
56.05044	6.3
56.77539	0.6
57.07074	3.6
58.02953	1.5
60.04528	7.6
65.03941	0.8
65.61743	0.6
67.04249	0.8
67.05508	17.9
68.05017	2.9
69.07075	10.0
69.43285	2.9
69.43712	2.0
71.08630	1.0
72.04484	1.0
77.98322	0.6
79.05495	10.0
80.05007	2.7
81.06599	0.9
81.07059	15.5
82.06580	8.2
83.04977	1.1
83.08610	5.4
84.08173	1.2
85.10155	0.9
86.06055	2.6
91.05454	5.7
93.07045	5.9
94.06561	2.7
95.04944	1.3
95.07338	0.7
95.08608	13.5
95.59583	0.7
96.08118	2.7
97.06524	1.0
97.10160	3.1
97.93552	0.6
98.06038	1.0
98.21525	1.3
98.97583	0.6
100.07632	1.6
105.07059	3.4
107.08570	2.4
108.08097	0.9
109.10179	5.4
112.07626	1.4
114.09189	0.8
119.08577	4.2
121.10146	3.1
122.09653	1.3
123.11710	1.5
133.10143	2.5
135.11726	1.3
136.06168	2.6
147.11707	0.9
250.25302	7.7
258.64713	0.7
262.25476	3.5
263.23688	1.3
280.26367	100.0
298.11487	2.4
298.27530	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	299.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.2
56.96574	30.9
57.03432	13.0
60.85410	5.2
61.02915	25.6
64.94968	5.5
67.05482	10.9
69.03416	8.4
71.24008	12.1
73.02901	26.9
79.05492	8.6
81.03424	6.7
81.07072	13.4
85.02899	33.9
85.85689	5.3
91.05419	9.8
93.07040	13.8
95.08598	23.4
97.02872	18.4
98.97588	80.2
101.00811	15.2
105.07050	7.9
109.06543	10.2
110.01272	14.5
110.97575	20.1
114.39381	6.8
116.98618	23.3
119.01851	33.2
121.06499	15.2
123.08038	7.5
124.08418	7.2
125.01769	8.6
127.03922	9.6
128.02325	49.8
128.98593	19.9
131.01807	7.4
137.02803	11.9
137.05956	21.6
140.02266	11.6
143.00090	11.7
146.02318	14.6
146.99631	7.5
152.02312	8.2
155.02834	18.9
158.99698	33.1
159.77254	6.0
161.02808	8.0
167.06998	16.2
170.99654	20.2
171.77341	5.7
177.00751	16.6
182.03432	7.8
185.03888	8.9
189.00743	9.1
191.02338	9.4
191.03883	48.0
192.02823	6.9
193.04445	12.5
200.02602	7.9
200.04427	100.0
201.00661	7.1
202.04883	15.9
209.05650	11.0
211.11595	5.9
213.03383	35.6
219.01826	15.7
222.03816	7.3
237.02788	7.2
267.07141	12.4
299.09860	15.9
316.25595	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	299.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89149	1.8
53.03941	4.3
55.01880	4.4
55.05517	3.0
56.96299	3.1
56.96568	45.7
57.03440	4.6
57.07060	1.8
60.08858	1.5
60.95850	2.3
61.02923	8.6
65.03941	3.6
67.05512	11.2
69.03432	7.2
70.06580	1.7
70.98140	5.5
71.95284	2.0
72.08166	1.9
73.02924	7.5
79.05495	60.3
81.03431	3.7
81.07058	17.4
84.08144	3.1
84.96039	5.7
85.02913	20.6
87.04467	2.6
91.05479	16.6
93.07055	5.1
95.04971	4.9
95.08620	9.4
95.91766	1.8
97.02889	11.7
98.97589	100.0
99.97924	6.1
102.96888	3.6
103.03922	1.7
103.05460	2.5
105.07018	15.6
105.55225	1.9
107.04975	4.0
107.08598	38.7
109.02905	4.1
109.03965	1.8
109.06532	16.0
110.97559	11.8
112.99117	3.1
115.05426	1.9
116.98625	25.7
117.98989	4.5
118.01044	1.7
119.01836	4.2
119.04964	5.7
121.06546	8.3
123.04454	2.8
123.08070	15.6
125.09684	2.3
127.00700	3.2
127.03929	3.3
128.02373	1.9
128.98613	12.7
131.04953	1.9
133.06502	5.5
134.99643	7.8
135.07988	1.5
136.06215	2.7
137.05966	63.4
138.06320	4.2
139.07597	1.9
140.98608	2.2
143.00172	5.7
143.01884	3.7
145.03325	2.3
145.05051	2.5
146.01237	2.1
146.99673	9.5
147.04440	6.4
147.05754	3.3
147.75858	1.8
149.05971	4.7
151.07526	4.8
152.07051	2.3
152.45224	1.7
152.98604	3.0
155.04646	3.6
156.06273	2.1
158.99654	45.0
159.01074	2.1
160.00014	2.4
160.03885	4.2
161.01340	1.6
161.03004	2.5
161.04767	2.9
161.05975	17.5
163.02831	2.5
163.05139	9.2
164.06972	3.1
165.05515	10.6
166.07317	2.2
167.07324	1.7
167.07567	1.7
168.01845	4.7
169.01727	2.1
169.05435	2.8
170.99690	3.9
172.05693	57.0
172.55942	4.5
175.02663	2.7
175.07603	2.7
175.56087	2.8
177.00742	21.1
177.02184	2.8
177.05505	4.1
178.03909	4.9
179.03860	1.9
179.07047	5.8
180.05495	7.1
181.06229	41.0
185.06348	2.3
186.99110	2.0
187.04401	29.8
187.06140	3.3
187.54648	2.1
189.00781	3.4
189.05899	6.4
190.06766	33.7
190.56937	4.8
192.57103	2.3
193.03217	6.2
195.03357	2.5
196.05005	2.8
197.01274	3.3
197.04778	3.1
199.07610	2.2
201.00691	4.9
203.04160	1.9
203.07124	4.1
205.00278	5.1
208.05132	2.3
208.07146	3.1
208.55246	2.1
209.05438	2.1
209.10344	2.1
211.02797	6.5
213.00836	3.2
217.00078	2.1
218.06270	3.6
219.01755	11.8
219.07986	2.4
220.04185	3.6
223.05527	8.3
225.00722	5.0
229.03903	4.6
230.06305	7.5
237.02876	7.2
239.06798	28.6
247.01331	2.8
253.03893	4.7
253.06525	2.0
254.07306	3.8
256.96674	2.0
257.06665	5.0
260.07169	3.5
263.09088	2.3
269.07840	12.4
274.97534	4.5
275.00861	2.1
275.97864	10.8
276.08139	5.3
277.09769	2.5
280.57288	5.7
281.07779	5.3
289.57800	4.1
290.08267	22.8
290.58469	4.0
292.98575	3.4
293.10782	4.6
293.98920	5.7
299.08994	9.1
299.12314	2.3
299.16574	2.0
309.08539	4.4
317.06934	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	299.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
55.05501	1.0
65.03962	1.6
67.05527	3.8
69.03433	10.0
69.07065	1.3
69.72437	2.2
69.72843	1.2
70.06622	3.2
72.08157	2.5
79.05499	3.6
81.03426	3.8
81.07059	3.9
83.58013	0.6
85.02891	1.8
85.80110	0.7
86.09700	2.6
87.04484	4.7
91.05495	12.8
93.07063	4.2
95.04968	0.9
95.08607	2.3
97.02897	2.3
97.06514	0.7
98.20815	0.8
99.04462	3.5
103.05463	0.8
105.07063	2.8
107.04955	2.5
107.08600	0.8
109.02879	1.1
109.06539	2.1
111.04417	0.8
115.03947	1.9
115.05504	0.7
117.03439	0.6
117.82275	0.7
119.04958	25.2
119.08591	1.0
121.06483	1.1
123.08083	1.1
127.03917	1.2
131.04982	0.7
133.06525	1.1
135.04391	0.9
135.08061	1.7
136.06207	2.6
137.02351	14.0
137.03354	0.6
137.05824	4.1
137.09619	7.9
139.07559	2.8
141.81941	0.6
145.06471	1.2
147.04427	100.0
149.05983	1.1
155.10672	1.4
159.08224	0.6
159.11604	0.6
161.06010	4.4
163.03969	2.5
163.07564	1.2
165.05501	1.6
167.07053	0.6
167.10712	1.7
173.09543	0.6
174.94020	0.6
175.07629	2.8
179.08589	0.8
183.06558	1.3
185.08144	1.8
185.16577	0.8
194.06281	0.7
206.07214	0.7
224.08327	0.9
225.08899	0.7
239.10622	0.8
252.07721	1.1
253.08502	1.4
263.09320	0.6
267.10193	2.5
268.11029	1.3
272.17209	0.6
290.39816	0.6
299.06125	0.8
299.12622	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	299.2009
Annotation	 (-)-Sonderianol
Peak:m/z	Relative Intensity
55.05506	11.4
57.03422	4.4
57.07065	3.7
59.04988	4.3
67.05507	17.0
69.07079	15.1
71.04987	3.7
71.47549	3.1
81.07075	17.6
83.08628	8.1
85.06575	17.4
91.05491	8.7
93.07021	8.9
95.08620	41.0
97.06539	11.5
97.18803	2.4
105.07031	11.2
107.04967	6.1
107.08601	7.0
109.06535	2.7
109.10172	9.2
111.08099	7.0
113.09653	21.8
117.07031	6.1
119.08601	6.1
121.06557	3.9
129.07031	4.2
131.08606	7.8
133.06516	57.9
133.10150	4.9
141.07013	7.0
143.08551	4.2
145.06505	31.4
145.10234	3.7
147.08061	9.2
149.06018	4.0
149.09618	11.4
153.01897	4.6
153.06953	5.9
153.39912	3.8
155.08522	9.7
157.06491	41.1
158.07289	3.2
159.08086	29.0
165.07047	15.1
167.08597	3.3
169.06491	3.5
171.08072	38.2
172.08846	4.0
173.09622	12.1
175.09767	5.6
175.11201	62.5
179.08586	13.6
181.06458	4.1
181.10089	4.0
182.07233	3.1
183.08064	76.2
184.08847	3.5
185.09651	7.9
186.10422	3.8
187.11205	15.9
189.12775	7.1
191.10905	3.0
195.08076	7.3
197.09665	51.2
197.13223	2.8
199.11203	50.7
201.12770	43.0
210.10454	2.8
211.11188	13.7
211.14899	3.6
212.12013	3.3
213.12767	60.5
215.10823	4.7
215.14388	6.8
221.13254	6.4
223.11128	8.0
224.11960	3.8
225.12752	15.3
226.68742	3.1
227.14343	6.9
229.15927	20.1
238.13445	6.2
239.14336	100.0
241.15897	29.9
253.15825	3.7
255.17473	9.1
257.15363	51.4
271.20587	19.4
281.19046	72.6
299.09201	3.7
299.12622	5.8
299.20074	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	299.2008
Annotation	 (-)-Sonderianol
Peak:m/z	Relative Intensity
55.05533	6.8
57.03443	1.9
57.07082	1.7
60.04522	3.1
64.66315	1.2
67.05512	19.8
69.07073	13.9
69.14608	14.2
73.03915	1.5
73.24569	1.2
79.05482	4.9
80.05860	1.3
81.07066	11.2
83.05002	2.0
83.08600	4.1
85.06538	3.0
90.10905	1.4
91.05480	3.0
93.07053	9.1
95.08618	88.2
97.06530	2.4
97.10190	5.4
98.20821	3.6
99.29312	1.3
105.07035	4.3
107.04957	2.3
107.08565	3.7
109.10138	1.9
111.08067	4.8
113.09694	2.6
117.07020	2.4
119.08611	2.9
121.06526	1.4
121.10155	2.8
125.09630	1.5
128.06200	1.7
129.07018	3.8
131.08586	3.4
133.06506	23.9
133.10146	2.2
141.06995	5.2
143.08548	4.5
145.06502	27.1
145.10152	2.9
147.08055	7.0
149.09639	6.5
153.06981	5.0
155.08563	4.6
156.09320	1.9
157.06511	68.1
159.08066	7.0
161.09656	1.6
163.11168	3.4
165.07007	11.8
166.07828	1.5
167.08632	1.8
169.06493	4.3
169.10118	3.7
171.08073	18.3
172.08897	1.5
173.09607	5.5
175.11205	55.6
179.08583	9.7
181.06473	3.0
181.10124	1.8
181.42195	1.4
181.46387	1.4
182.07333	3.0
183.08078	47.8
183.11627	2.0
184.08824	15.7
185.09705	3.3
187.11217	11.2
189.12796	7.1
189.14471	1.3
193.07600	1.6
193.10193	2.5
195.07996	3.0
196.08832	3.5
197.09653	33.0
197.13370	2.7
198.10419	2.4
199.11200	94.8
200.33939	1.4
201.12778	14.9
209.09601	3.1
211.11096	7.7
211.14737	1.9
213.12747	13.3
215.10645	1.5
215.14377	2.6
221.13185	4.3
223.11201	2.2
225.12782	18.3
227.14304	5.0
229.15825	7.2
237.12735	1.7
238.13536	4.2
239.14333	100.0
241.15904	22.1
249.13858	5.9
253.16089	2.6
253.19476	3.9
255.17491	2.9
257.15421	8.9
269.18988	3.8
271.20581	45.5
281.19022	57.1
299.09213	2.2
299.16690	2.3
299.20020	32.9
299.23340	2.2
299.27692	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	299.2006
Annotation	 (-)-Sonderianol
Peak:m/z	Relative Intensity
53.03918	1.8
54.14815	1.8
55.05513	11.2
56.94783	1.6
57.03432	4.3
57.07087	3.2
67.05507	19.8
69.07066	15.6
70.57235	4.4
70.57575	2.6
75.81327	1.7
77.33820	1.7
79.05496	4.4
81.07056	11.5
81.07458	1.8
83.08609	6.6
85.06520	3.4
91.05500	5.0
92.86337	1.7
93.07053	10.9
94.35747	1.6
95.08607	82.8
97.06533	3.0
97.10181	5.9
99.08100	3.7
105.07023	7.7
107.04948	3.1
107.08613	5.6
107.94956	1.6
109.10150	5.5
111.08084	6.1
111.42757	1.9
115.05461	2.4
117.07063	3.0
119.08575	3.7
119.64423	2.0
125.09657	2.6
129.07022	2.1
131.08594	3.5
133.06497	43.8
141.06972	3.7
143.06000	2.6
143.08559	3.5
144.05666	1.9
145.06497	28.0
145.10176	2.4
147.08043	7.3
149.09589	9.0
155.08578	6.5
157.06490	87.5
159.08028	18.7
161.09628	4.5
165.06989	9.6
169.06535	3.4
169.10100	2.4
171.08043	16.7
171.11638	2.5
173.09648	7.4
175.11194	90.1
179.08554	7.4
181.06491	2.3
183.08067	44.0
184.08818	18.9
185.09622	5.1
187.11223	17.1
189.12776	7.9
195.08128	4.1
197.09608	32.2
198.10385	3.6
199.11186	100.0
201.12717	23.0
209.09509	2.9
211.11176	6.4
212.12279	1.7
213.12778	6.5
215.14363	6.7
225.12753	12.7
227.14372	5.1
229.15855	6.9
237.12836	2.0
238.13463	2.1
239.14316	97.2
241.15880	82.7
243.17389	2.9
257.15472	9.2
269.18964	3.3
271.20569	21.7
281.19006	64.8
299.12665	6.9
299.16574	3.1
299.20032	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	 (-)-Sonderianol
Peak:m/z	Relative Intensity
55.01867	1.8
55.05510	8.6
57.07063	1.7
66.59134	1.1
67.05505	19.4
69.07069	11.8
70.46670	1.7
70.46989	2.7
79.05492	3.7
81.07061	12.6
83.08621	5.3
91.05488	4.4
93.07051	9.2
95.08608	86.4
97.06527	3.1
97.10177	5.5
99.08112	1.7
101.04234	1.2
105.07028	3.0
107.04978	1.7
107.08591	3.5
109.10154	3.0
111.08081	5.9
117.06995	2.8
119.08522	1.6
121.06506	2.0
125.09524	1.2
128.06189	1.5
129.06989	2.9
131.04936	2.2
131.08614	2.3
133.06500	22.9
141.07008	4.2
142.65021	1.3
143.06119	1.8
143.08563	2.1
145.06491	28.8
145.07649	1.5
145.10139	3.6
147.08058	5.2
149.09651	7.6
153.01837	2.0
153.06992	3.2
155.06038	2.2
155.08562	4.7
157.06496	70.5
157.10115	1.8
158.07213	2.7
159.08055	5.2
161.09668	2.4
163.11182	3.8
165.06995	11.2
167.08629	1.9
168.09113	1.2
169.06528	2.8
169.10150	1.6
171.08051	19.1
171.11710	2.0
173.09615	3.5
175.11191	55.3
178.07779	2.5
179.08507	7.5
181.10170	2.5
182.07222	2.4
183.08057	49.6
184.08820	20.5
185.09605	2.7
187.11128	8.4
189.12718	6.3
192.09335	2.4
195.08040	2.7
196.08900	3.2
197.09613	30.5
199.11180	86.8
201.12738	9.1
209.09508	2.7
210.10416	2.1
211.11209	5.3
213.12743	10.8
215.14343	4.9
221.13371	1.9
225.12766	16.7
227.14359	3.7
229.15909	8.2
238.13571	4.5
239.14302	100.0
241.15886	24.0
249.13898	5.7
257.15387	5.5
269.18945	3.1
271.17538	1.8
271.20578	41.9
281.19019	51.3
299.20050	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	 (-)-Sonderianol
Peak:m/z	Relative Intensity
55.05519	13.1
57.07057	2.8
67.05515	26.9
69.07074	12.5
71.74092	1.5
79.05485	6.7
81.07049	12.2
83.08621	7.7
91.05476	4.7
93.07043	7.6
95.08615	94.4
97.06457	2.1
97.10157	6.7
105.07023	3.8
107.04963	2.6
107.08615	5.8
109.10149	5.0
111.08070	8.0
117.07018	1.9
119.08568	3.8
121.02718	1.6
121.06489	2.7
125.09618	2.9
129.06990	4.0
131.04877	1.8
131.08566	4.8
133.06514	21.5
133.10109	2.0
141.06956	5.4
143.08568	2.9
145.06503	23.6
145.10236	2.2
147.06982	1.8
147.08063	23.5
149.09625	12.6
153.01845	2.3
153.07018	2.6
155.08540	4.5
157.06502	63.0
157.07666	3.3
157.10049	2.3
158.07306	2.6
159.08076	15.0
160.03708	1.9
163.11177	5.4
165.07011	9.6
167.08560	2.8
169.06497	3.0
169.10109	2.1
171.08075	16.3
173.09627	5.2
175.11208	61.6
175.12738	3.2
178.07899	1.6
179.08565	7.0
181.06429	1.9
181.10112	2.6
182.07349	3.2
183.06512	3.2
183.08057	45.0
183.11626	2.1
184.08865	17.3
185.09604	2.7
187.11197	12.6
189.12762	33.7
193.10190	2.3
195.08076	3.7
197.09636	28.2
199.11197	89.7
201.12761	20.3
209.09598	2.7
210.10381	2.7
211.11209	11.9
213.12764	12.3
215.14255	5.2
221.13400	2.6
223.11172	2.0
225.12820	15.2
227.14302	4.3
229.15819	8.7
238.13498	6.0
239.14330	100.0
241.15897	22.1
249.13951	4.3
253.15871	4.8
253.19441	2.7
255.17451	3.4
257.15375	6.0
269.18912	3.6
271.20587	44.0
281.19019	54.3
299.09109	3.7
299.17395	2.2
299.20099	37.2
324.72852	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	 (-)-Sonderianol
Peak:m/z	Relative Intensity
55.05496	8.5
57.03430	2.6
57.07061	3.7
59.04996	5.1
67.05506	16.2
69.07068	19.8
69.52606	15.5
71.04980	9.6
79.05503	6.5
81.07040	6.1
83.08621	7.4
85.06547	16.4
85.41672	2.1
91.05485	6.4
93.07040	10.2
95.08616	44.3
96.54389	2.5
97.06538	13.9
97.10168	3.7
98.21476	5.1
102.71049	2.0
105.07040	10.4
107.04963	6.5
107.08608	5.7
107.53948	2.0
109.10143	10.2
111.08074	8.5
111.08820	1.9
113.09649	18.2
115.05495	4.0
119.08562	6.8
121.06512	3.8
121.10201	3.0
123.11729	2.7
125.09576	2.3
128.06294	3.1
128.98204	2.2
129.06989	4.5
131.04927	2.8
131.08583	6.3
133.06494	59.2
141.07010	4.4
143.08562	6.5
145.06490	26.1
145.10097	4.3
147.08076	10.2
149.05940	2.7
149.09564	10.8
153.02023	2.4
153.07005	6.0
155.06065	2.4
155.08571	6.2
157.06505	34.8
158.07292	4.3
159.08029	24.3
161.09665	3.1
163.11182	2.9
165.07016	15.9
166.07715	3.3
169.06506	6.0
169.10139	5.5
170.07266	3.0
171.08054	37.4
173.05986	2.7
173.09595	11.7
175.11189	62.1
178.07851	2.9
179.08571	12.4
181.10173	4.0
182.07277	5.5
183.08057	68.8
184.08861	8.8
185.09624	7.1
187.11185	13.7
189.12761	8.0
191.10693	2.5
193.10168	4.5
195.08080	6.7
196.08759	3.3
197.09650	58.1
199.11183	37.5
201.12737	48.9
209.09543	5.4
210.10396	4.4
211.11253	15.0
211.14920	2.8
212.11899	3.3
213.12750	69.0
215.10599	5.4
215.14322	7.6
217.12215	2.9
221.13243	3.2
223.11279	10.5
224.12010	3.0
225.12740	22.9
227.14328	6.6
229.15833	17.4
238.13560	3.7
239.11900	5.1
239.14311	100.0
241.15889	34.6
251.14250	2.4
253.15936	4.6
255.17448	11.8
257.15372	54.7
259.31424	2.6
271.20621	16.1
281.18991	74.8
299.05545	3.4
299.09137	4.2
299.12711	2.5
299.20074	74.5
302.89465	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	299.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
54.40948	0.6
55.05283	0.6
55.05518	8.0
57.07067	2.8
67.05508	12.6
69.07072	11.8
70.01135	1.5
70.01529	1.5
71.08633	0.8
76.29054	0.6
79.05502	4.4
81.06596	1.2
81.07060	18.1
83.08619	4.6
87.12717	0.6
91.05501	4.5
93.07047	11.5
95.08613	41.9
97.10181	4.8
97.94009	0.5
105.03347	0.6
105.07040	13.0
107.08601	15.5
109.10162	21.9
111.10788	0.6
111.11674	1.0
119.07791	1.1
119.08586	11.1
121.10152	13.8
123.08063	0.7
123.11713	11.9
124.31232	0.6
129.83990	0.6
131.08594	2.8
133.10136	10.5
135.11705	8.4
137.13283	5.7
145.10152	3.7
147.11713	13.7
149.13258	8.6
151.14818	1.5
153.01840	0.7
159.11691	3.2
161.13255	16.0
163.14848	4.3
173.13287	2.6
175.14827	7.1
177.16399	6.1
187.14893	3.0
189.16402	12.1
191.17975	9.5
201.16364	6.2
203.18001	12.5
205.19522	1.1
215.18004	8.9
217.19524	8.0
229.19557	5.5
243.21146	4.0
257.22610	2.1
299.09109	1.2
299.20123	2.5
299.27356	100.0
300.27631	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	6.0
58.04160	0.3
60.12690	0.3
69.24219	1.9
71.42800	0.2
71.95262	1.8
93.39178	0.2
98.97588	100.0
99.97929	3.6
100.97174	0.6
101.97221	0.8
102.96897	0.9
106.72968	0.3
116.98624	37.4
117.98959	1.4
118.98977	0.3
119.98233	0.3
120.97974	0.3
130.31659	0.3
134.99660	7.4
140.00188	1.1
153.00723	0.7
156.96666	0.4
168.00578	0.5
172.94374	0.4
174.97684	0.3
181.97578	0.3
192.98756	0.3
198.97705	0.4
206.14203	0.3
212.92313	0.5
213.04274	0.4
216.98764	0.8
219.02042	1.0
234.99783	0.3
236.92270	0.5
240.98584	2.3
241.98828	2.4
254.93483	1.5
254.95811	0.3
258.05209	0.3
258.99777	33.3
259.99936	23.3
260.96036	0.4
260.99591	1.1
261.02832	0.4
272.94409	1.1
277.00818	32.8
277.95007	0.5
277.97598	2.0
278.00989	23.7
278.96988	1.5
279.00745	1.1
282.01392	0.8
282.99838	2.1
285.04001	0.6
286.04703	5.0
290.95538	0.6
295.95856	2.8
295.98978	0.5
296.97879	0.6
300.02408	0.6
300.97623	1.9
301.01242	2.4
301.06827	4.9
301.09824	1.4
313.97150	0.4
318.98718	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	301.1283
Annotation	Icariside D2
Peak:m/z	Relative Intensity
53.03939	1.6
55.01874	7.9
55.05509	0.9
56.96568	0.7
57.03434	0.6
58.44667	0.3
64.33319	0.3
64.96642	0.3
67.05502	2.0
68.99791	1.7
69.03433	5.7
69.07064	1.1
69.20715	0.5
69.21122	2.7
70.06592	1.1
71.01340	0.4
71.04996	2.3
72.08161	0.8
72.64954	0.3
73.02920	0.8
73.35204	0.5
79.05479	2.5
81.03430	1.9
81.07050	1.0
83.04974	1.8
84.08148	0.9
85.02923	2.0
86.09721	0.5
87.04469	0.5
91.05480	4.7
92.83289	0.4
93.03400	0.5
93.07051	8.5
95.04959	2.6
95.08600	1.8
96.04490	0.6
97.02895	1.0
97.06548	1.9
98.97585	1.5
99.04455	5.1
103.05493	2.8
105.04574	0.4
105.07022	1.4
107.04942	0.6
107.08578	0.4
109.02878	0.9
109.06525	2.2
111.04486	0.5
111.08101	1.2
112.07645	0.3
113.03517	1.0
116.98658	0.6
117.05472	1.9
118.04145	2.6
119.04971	1.3
121.06506	56.0
122.06026	0.4
122.06892	0.4
122.95123	0.3
123.04406	0.7
123.08081	5.0
127.03944	1.3
128.98555	0.4
131.04916	1.0
133.06522	1.0
135.08130	0.4
137.05968	2.6
138.09116	1.0
139.03868	0.7
139.07547	23.5
140.01083	1.5
140.03444	1.8
140.04391	0.3
140.07021	0.4
141.09106	1.4
145.04968	3.0
145.06126	0.3
145.06528	0.4
147.04405	0.7
149.05986	2.5
151.07594	0.6
153.05472	0.5
155.07001	0.6
157.06462	0.4
157.08591	0.8
158.99689	0.4
159.04398	0.7
161.05980	0.6
163.03885	0.8
163.06033	0.9
163.07513	0.5
164.07074	0.6
165.05502	1.0
167.07037	6.9
168.00552	10.2
169.01335	0.8
169.06107	0.5
175.07599	0.4
177.05513	2.9
179.06999	0.8
181.04961	0.6
181.08394	0.4
184.05237	1.4
186.01616	4.7
187.03928	0.5
193.04933	0.8
196.04985	0.4
209.07990	2.5
211.06049	1.1
212.04704	1.5
213.05443	0.7
227.09148	1.6
229.04974	0.8
240.04221	2.0
241.04863	1.2
247.09692	1.1
255.06532	1.1
257.04367	1.0
258.05295	3.6
265.10645	2.0
268.03687	1.0
269.07776	0.4
274.06332	0.4
283.11761	3.0
285.03946	13.9
286.04724	86.7
287.05069	0.9
301.07071	100.0
301.12769	4.5
302.07370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.05451	2.0
56.76060	0.3
57.03386	0.5
57.07030	0.8
63.61446	0.3
63.91988	0.4
67.05439	3.2
68.99731	1.3
69.07001	1.8
71.04940	0.6
71.52430	0.4
72.00730	0.3
79.05500	1.9
81.03372	0.7
81.07059	6.1
83.08615	1.7
84.02049	0.4
85.06480	1.0
91.05499	2.0
93.07034	2.3
94.23795	0.3
95.04942	0.4
95.08607	8.4
95.53822	0.3
97.06490	0.8
97.10125	0.6
98.46773	0.3
98.97505	0.9
99.08015	1.0
102.15406	0.3
103.05413	0.4
105.07028	2.8
107.04879	1.3
107.08591	2.8
108.08078	0.4
109.06499	0.6
109.10155	4.2
111.08055	0.4
113.09621	0.4
115.05360	0.6
117.06983	0.7
118.04150	2.0
119.04890	0.7
119.08595	2.1
121.02842	0.5
121.06416	1.0
121.10136	2.0
122.09618	0.5
123.11667	0.6
125.09600	0.4
128.06184	0.9
129.06938	0.9
131.04906	0.5
131.08473	1.3
132.05634	0.5
133.06488	7.9
133.10063	1.0
135.07957	0.7
135.11617	0.9
136.07465	0.4
137.09671	0.4
137.13272	0.5
139.11124	0.9
140.01042	1.7
141.07045	0.4
143.06012	0.3
143.08496	1.0
144.05641	0.4
145.06487	2.8
145.10086	1.9
147.07001	0.5
147.08047	7.9
147.11635	1.1
149.05986	0.6
149.09619	12.5
149.13190	0.6
150.09085	1.4
152.06194	0.6
153.01820	0.6
153.06927	1.0
153.12691	0.6
155.05974	0.4
157.06503	2.7
157.10052	0.7
158.07147	0.6
158.99706	0.4
159.08075	5.5
159.11653	1.2
160.05225	0.4
161.09599	2.6
161.13203	0.6
163.11130	1.1
164.07056	3.4
165.06969	0.7
167.08545	0.5
168.00542	9.4
169.01344	1.9
169.07701	0.4
169.10081	0.4
170.07248	0.6
171.04527	0.3
171.06671	0.4
171.08037	5.2
171.11678	0.6
172.08788	0.6
173.09637	2.5
173.13173	0.9
175.11191	16.8
177.00664	0.4
181.06422	0.8
181.10083	0.6
183.11630	0.4
184.05154	0.9
184.08823	0.6
185.06070	0.4
185.09602	4.8
185.13193	0.7
186.01598	4.6
187.11182	3.1
187.14774	0.4
189.12740	14.8
189.16302	0.5
191.10603	0.5
195.07968	0.4
197.05928	0.6
197.09544	0.5
197.13257	0.4
198.06725	0.8
198.10390	0.5
199.11208	5.6
199.14816	0.7
201.12753	8.3
201.16466	0.4
203.14346	1.7
208.04953	0.4
209.05913	0.4
211.11111	0.5
212.04645	1.4
213.05537	0.8
213.12744	4.4
215.14294	4.8
219.17459	0.6
225.12726	1.0
226.06311	0.9
227.07005	0.5
227.14308	3.3
229.04945	1.2
240.04132	2.5
240.15076	0.7
241.04999	1.0
241.08531	1.0
241.15889	11.0
243.17465	2.2
255.06522	0.6
255.17332	0.5
255.21092	1.6
257.04419	0.9
258.05261	3.7
258.08081	0.4
258.09061	0.4
259.16983	0.4
268.03622	1.1
269.04193	0.6
269.08182	0.5
273.11047	0.4
283.20566	12.0
285.03934	14.4
286.04718	92.4
287.05081	1.4
301.07077	100.0
301.21567	10.5
301.24966	0.8
302.07431	1.4
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
50.25269	0.4
53.03969	0.8
55.05541	2.1
57.07085	3.2
62.97879	0.6
63.20031	0.4
67.05508	4.5
68.99814	1.3
69.03465	1.7
69.07074	2.5
70.06618	1.7
70.60425	0.8
70.60758	0.7
71.05038	1.8
73.35246	0.7
79.05484	3.7
81.07064	6.4
83.08660	1.2
85.06575	0.6
85.62663	0.4
88.07639	2.4
91.05485	6.2
93.07050	7.2
95.04984	3.2
95.08604	5.2
97.06569	2.3
102.09211	0.6
105.07037	11.7
105.07682	0.8
106.08701	1.1
107.08594	9.4
109.06518	8.6
109.07149	0.6
109.10156	6.4
111.08156	1.5
115.05478	0.7
117.07019	3.9
118.04236	2.2
119.05003	0.8
119.08594	13.8
121.06561	1.9
121.10172	6.3
123.08106	1.2
123.11759	1.3
128.06294	1.1
129.07051	1.3
130.07849	1.0
131.08580	12.0
131.09525	0.7
133.10133	8.3
133.11063	0.6
135.08058	5.4
135.08887	0.6
135.11681	3.1
137.09659	1.0
140.01117	1.4
141.07025	0.6
141.56946	0.5
142.07837	1.5
143.08566	4.8
144.09425	1.6
145.10138	13.4
146.07332	1.6
147.08095	1.1
147.11656	4.3
149.09631	0.8
149.13252	1.2
151.11247	0.8
155.08638	1.2
156.09346	1.1
157.10123	3.1
158.10909	3.5
159.08090	1.2
159.11720	2.7
161.09630	14.5
161.13304	0.6
163.11247	1.4
165.09192	0.7
167.08675	0.5
168.00568	11.1
169.01385	1.4
169.10156	0.8
171.11754	2.4
173.13272	22.5
175.11243	0.8
175.14828	2.5
179.08482	1.1
181.10095	1.0
183.11667	1.2
184.05309	1.0
185.13297	2.1
186.01634	4.5
187.14876	1.2
189.12723	0.6
191.14302	5.6
195.11755	1.0
197.13361	0.9
199.14908	1.8
201.12749	1.0
201.16367	0.7
209.13242	2.4
212.04704	1.5
215.47592	0.5
223.14914	2.0
225.16451	1.0
227.14282	0.9
229.05043	1.2
240.04243	2.2
241.05014	0.8
251.60327	0.5
255.06519	0.9
257.04443	1.2
258.05231	3.6
265.19547	1.8
268.03671	1.0
283.20511	2.4
283.28192	1.0
284.29492	1.0
285.03955	14.4
286.04733	90.0
287.05200	1.4
299.33142	0.6
301.07074	100.0
301.21600	6.6
301.25128	0.7
301.29279	1.6
302.07358	1.9
302.30524	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	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
54.31356	0.8
55.01855	1.2
57.03432	1.8
61.02919	2.0
63.09085	0.6
65.03931	1.4
67.05506	24.2
69.03430	14.7
69.07067	9.4
70.06592	1.0
71.05000	0.8
71.18597	1.6
73.02924	1.5
77.79996	0.7
81.03423	4.5
84.08132	1.5
85.02905	33.5
86.02482	0.6
86.12769	0.7
94.06576	2.1
95.04967	45.9
97.02892	29.6
103.03928	3.2
109.02890	5.8
112.07604	31.0
113.05995	3.7
122.01616	0.7
122.06012	2.5
123.04370	1.2
124.07566	2.0
127.03910	7.2
133.58752	0.7
136.07561	1.6
140.07063	100.0
145.04955	3.3
152.07065	0.8
154.08647	5.7
178.07103	0.6
178.08644	2.5
182.08127	57.3
206.08125	10.9
218.08133	1.6
236.09195	2.1
248.09184	7.9
284.11472	1.3
287.05075	3.1
302.07520	3.6
302.12323	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	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01873	1.4
55.05506	1.4
57.00458	1.5
57.03439	6.9
61.02929	6.4
67.05504	7.6
69.03429	14.8
69.07057	8.7
69.75719	1.2
70.06606	10.9
70.47688	4.3
71.04984	2.1
72.08157	11.6
72.91341	1.5
73.02938	6.3
79.05477	4.6
81.03413	9.2
81.07047	8.0
84.08157	2.2
85.02907	87.7
86.06079	1.7
86.09711	7.4
89.98989	1.3
90.64342	1.2
91.03969	1.3
91.05469	3.2
93.05782	2.1
94.06561	2.1
95.04951	5.1
97.02895	38.0
98.21428	1.5
98.97576	4.8
99.04459	1.3
103.03316	1.3
103.03927	7.5
105.00208	1.3
107.07340	1.2
108.08109	12.1
109.02876	11.7
110.06043	1.3
110.97578	2.5
112.07591	10.5
116.98669	1.7
122.06033	7.1
125.05996	6.6
126.05509	8.6
126.09142	4.3
127.03918	18.9
132.10164	1.8
136.07582	19.5
140.07065	49.6
143.11816	10.0
145.04984	13.8
147.04417	6.1
150.09138	3.9
152.07072	18.5
154.08565	6.2
158.08168	2.4
158.99608	2.8
163.05995	2.9
164.07079	24.3
170.99608	2.2
171.11302	6.9
178.08640	15.2
179.53453	1.2
182.08127	100.0
189.00638	1.9
189.12321	2.9
194.81480	1.2
197.01137	1.6
206.08122	47.9
210.06526	12.7
210.56664	1.8
210.77640	1.5
215.02315	1.3
218.08133	4.8
219.07027	4.3
220.09612	1.4
236.09137	3.5
243.50888	1.5
248.09218	10.3
284.11069	2.7
286.04245	2.7
287.05048	11.4
291.03748	1.3
302.07446	13.4
302.10818	2.5
305.08948	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	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19761	0.2
52.01180	0.2
56.96566	1.7
63.53627	0.2
69.80961	0.2
70.11063	0.4
71.95263	0.5
82.99871	0.3
98.97590	19.3
99.97916	1.2
100.97175	0.5
100.98074	0.2
101.00890	2.6
101.97169	0.4
102.96870	0.9
116.98627	9.2
117.98938	0.3
118.98175	0.5
119.01930	4.4
120.97919	0.3
134.99687	2.6
137.02905	0.3
140.98849	0.5
158.99887	1.8
172.94325	0.3
174.97716	0.3
177.00960	9.7
178.01132	0.6
179.00858	0.2
182.99904	0.8
199.02985	0.3
201.00925	2.8
216.98737	0.3
217.04105	2.3
218.04018	0.3
219.02017	18.2
220.02214	1.0
221.01869	0.7
225.00874	2.3
232.96701	0.2
234.99811	0.5
242.98413	0.5
243.01997	11.6
244.02191	0.6
249.01534	0.2
249.04192	0.2
255.02133	0.3
256.96631	0.3
258.99884	0.3
260.99820	4.6
261.03070	100.0
261.97165	1.1
261.99927	1.5
262.03223	7.0
263.03259	0.5
266.03653	0.5
275.04578	0.4
278.01282	0.3
278.97009	0.7
279.00571	5.2
279.98087	4.9
280.01047	1.6
283.00082	0.4
284.04697	1.9
284.99838	1.9
288.05347	0.4
296.97766	0.3
297.98935	0.9
298.06876	0.3
301.01062	0.4
302.97147	0.6
303.00833	2.2
303.04633	3.0
320.98145	0.7
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	Quercetin
Peak:m/z	Relative Intensity
52.08841	0.2
55.01871	0.4
56.51306	0.2
65.03934	0.4
67.01865	0.3
67.05502	0.3
68.99793	1.6
70.97099	0.2
70.97442	0.3
71.46003	0.2
81.03414	0.5
93.03403	0.5
95.04951	0.8
105.03374	0.2
109.02882	1.0
111.00816	1.9
116.77353	0.2
117.00990	0.2
117.07021	0.2
119.04954	0.2
121.02872	1.6
121.50103	0.1
123.04449	0.5
127.03915	0.3
131.04942	0.3
135.04430	0.5
137.02354	7.4
137.03410	0.6
137.05957	0.3
145.02820	0.2
145.06480	0.6
149.02335	0.8
153.01840	9.7
155.04922	1.0
157.06407	0.2
159.04436	0.4
161.05988	0.5
163.03909	1.0
165.01828	3.3
166.02705	0.5
173.05980	1.4
177.01860	0.2
179.03333	0.3
183.02896	1.3
183.04434	1.1
187.03929	1.0
191.03537	0.3
195.02850	0.4
201.05492	4.2
205.04971	0.4
207.02852	0.2
211.03923	0.3
213.05499	0.2
219.03078	0.3
219.06630	0.5
228.04219	0.6
229.04965	8.9
235.03131	0.2
239.03497	0.3
240.21548	0.2
247.06012	1.2
257.04459	4.7
274.04779	1.2
275.05560	0.4
285.03958	2.5
294.08426	0.2
303.05002	100.0
304.05212	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	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.1
55.01863	0.3
65.03934	0.5
67.01855	0.2
67.05489	0.3
68.99791	1.8
69.03399	0.2
69.79721	0.2
69.80116	0.2
75.97604	0.1
81.03420	0.6
93.03416	0.6
94.57148	0.1
95.01324	0.1
95.04968	0.6
95.08615	0.1
97.02867	0.1
98.21503	0.1
103.05456	0.1
105.03419	0.2
107.04952	0.2
109.02880	1.1
110.03674	0.2
111.00807	1.8
115.05405	0.1
117.07008	0.3
121.02872	1.9
123.04430	0.4
127.03912	0.3
129.06985	0.1
131.04912	0.3
133.02840	0.2
133.06441	0.2
135.04398	0.4
137.02347	6.8
137.03404	0.4
137.05946	0.4
145.02832	0.2
145.06456	0.6
147.04495	0.1
149.02357	0.8
153.01836	8.5
155.04901	0.9
155.06033	0.1
157.06435	0.2
159.04442	0.2
161.05995	0.8
163.03900	1.3
163.45842	0.1
165.01843	3.8
166.02597	0.5
173.05981	1.4
177.01929	0.2
177.05464	0.3
179.03340	0.3
183.02887	1.3
183.04433	0.8
184.05124	0.1
185.05942	0.1
187.03886	0.7
191.03423	0.3
191.07053	0.3
195.02844	0.5
201.05478	3.9
203.03416	0.1
205.05029	0.3
207.02910	0.2
211.03954	0.2
213.05450	0.3
215.03392	0.2
219.02980	0.3
219.06531	0.5
228.04272	0.5
229.04968	9.1
232.03702	0.2
233.04457	0.2
239.03416	0.3
245.04456	0.2
246.05266	0.1
247.06032	1.2
257.04443	4.9
258.05267	0.2
258.69382	0.1
269.97943	0.1
274.04715	1.1
275.05441	0.4
285.03937	2.1
286.04865	0.1
303.04990	100.0
304.05356	1.0
308.81396	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	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01855	0.5
65.03925	0.6
67.01859	0.4
67.05486	0.4
68.99794	2.0
69.03426	0.3
69.39131	1.2
79.05484	0.3
81.03431	0.8
81.07060	0.2
91.05467	0.5
93.03371	0.5
93.07027	0.3
95.04970	0.8
95.08620	0.2
97.02893	0.3
103.05433	0.3
105.03410	0.3
105.07022	0.4
107.04947	0.2
109.02869	1.4
111.00806	1.7
115.05444	0.2
117.06963	0.3
119.08552	0.2
121.02877	2.4
121.10178	0.2
123.04430	0.6
127.03923	0.4
128.77962	0.1
129.07024	0.2
131.04907	0.3
133.06505	0.2
133.65776	0.2
135.04373	0.5
137.02350	7.1
137.03410	0.5
137.05975	1.2
145.06494	0.6
147.04411	0.3
149.02316	0.7
153.01825	9.1
155.04880	0.7
155.06001	0.3
157.06438	0.2
157.10054	0.2
159.04170	0.2
161.05994	0.7
163.03899	1.2
163.07471	0.2
165.01842	3.5
166.02582	0.4
173.05971	1.2
177.01768	0.2
177.05513	0.4
179.03369	0.3
183.02879	1.4
183.04430	0.9
187.03870	0.8
191.03392	0.5
191.06973	0.2
195.02878	0.5
201.05458	4.2
205.05045	0.2
207.02884	0.4
211.03880	0.5
215.03300	0.2
218.33763	0.1
219.02876	0.2
219.06505	0.6
228.04216	0.6
229.04958	8.8
231.99266	0.1
232.03604	0.2
239.03514	0.2
247.06085	1.1
257.04449	5.5
274.04761	1.4
274.99905	0.2
275.05399	0.3
285.03949	2.3
303.04980	100.0
304.05283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16581	0.4
53.24086	0.4
55.05510	0.6
56.96568	8.5
56.96839	0.4
57.03432	0.6
59.59119	0.4
61.02951	0.5
67.05518	0.7
68.23063	0.4
68.70132	0.4
69.03415	1.1
69.83670	0.4
70.80472	0.4
71.51546	0.4
71.95286	0.7
73.02935	0.6
79.05482	2.0
80.76881	0.4
81.03405	0.5
81.07061	1.3
84.96030	0.7
85.02908	1.7
91.05491	0.8
93.07053	0.9
95.08615	2.5
97.02914	1.1
98.97589	100.0
99.97915	0.6
105.07061	3.2
109.02900	0.5
109.06522	0.8
110.97578	3.4
112.99169	0.5
116.55951	0.4
116.76954	0.4
116.98629	21.8
119.01823	0.5
119.27006	0.4
121.06509	1.1
123.08070	1.5
127.03928	0.7
128.98630	2.0
132.13245	0.4
133.12344	0.4
134.99658	2.7
137.05989	5.2
140.03430	2.8
141.03770	2.2
141.09128	2.0
143.00217	0.9
143.01863	0.5
145.04984	0.6
146.04109	0.6
147.04343	0.5
149.05957	0.7
150.97075	0.5
154.90160	0.4
155.04668	3.3
158.99666	52.7
170.99701	0.9
177.00728	25.2
180.05469	0.7
185.04872	0.5
189.05986	0.7
195.01833	0.7
200.02296	0.9
201.00711	1.2
201.04251	0.6
214.04893	0.7
216.08307	0.7
219.01784	13.7
223.05521	1.3
223.55621	1.2
224.05956	0.7
225.08871	1.8
225.58989	1.1
237.02716	2.7
243.05426	0.6
285.06552	0.7
293.59778	0.5
303.04428	0.9
303.07657	6.0
303.10806	0.5
309.08749	1.0
321.08594	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	303.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63247	5.4
56.96563	7.9
57.03447	11.1
59.19272	6.8
61.02929	24.6
68.99330	6.8
69.03439	16.4
70.63960	22.2
73.02921	21.6
73.03342	5.7
85.02911	37.1
97.02914	17.5
97.08243	6.0
98.97568	42.5
110.01304	10.7
110.97594	7.9
112.56702	6.7
119.01884	7.7
127.03901	6.6
128.02322	9.0
131.01848	7.0
152.02277	7.8
158.99689	17.5
162.03696	6.7
175.84685	6.1
183.02272	8.1
200.04367	16.1
202.51549	7.1
204.02931	9.1
213.03371	39.4
222.03922	10.2
237.02881	9.3
256.11700	6.5
303.08237	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	303.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03443	0.6
63.65018	0.4
67.05506	1.0
69.03432	1.1
70.06615	0.9
70.63791	0.9
72.08154	0.7
73.06561	0.7
79.05475	1.1
81.03413	1.0
82.12202	0.5
84.08144	1.1
85.02888	1.6
86.09693	0.6
87.10049	0.5
91.05466	1.6
93.07037	0.7
94.04201	3.4
95.04976	0.7
95.06121	0.7
95.08613	1.5
97.02905	1.0
97.06524	1.5
98.97596	0.5
105.07046	1.4
107.04926	0.5
107.41413	0.5
109.02909	0.7
119.04956	0.9
121.06476	0.5
122.03657	7.6
123.08099	1.8
129.53851	0.4
137.05986	100.0
141.07346	0.5
141.09082	2.4
147.04449	1.7
149.06000	0.9
151.07542	0.6
153.01930	0.7
153.06992	1.4
161.05907	0.5
163.07507	0.7
164.07004	0.9
165.06985	1.3
167.07108	1.1
179.07040	1.4
181.06543	0.9
183.08162	1.4
186.86636	0.4
189.05429	0.4
196.55186	0.4
211.07582	1.5
213.05580	0.6
213.09171	1.0
221.06183	0.4
229.05046	0.8
234.96870	0.4
242.43268	0.5
243.10196	0.9
253.08566	1.0
257.04388	0.5
271.09668	1.4
273.11264	0.9
273.90088	0.5
285.11404	1.0
287.04886	0.7
288.05173	2.4
303.04962	6.0
303.07886	2.3
303.14487	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	303.1228
Annotation	4'-Hydroxy-3,3'-dimethoxy-4,5-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
52.61043	0.4
53.03950	1.0
55.01868	1.1
55.05501	1.4
62.28659	0.4
65.03941	0.9
66.04747	0.5
67.05510	2.5
68.99771	0.5
69.03423	0.6
69.07069	1.6
69.31322	1.0
69.31726	2.9
74.06322	0.5
79.05505	2.3
81.03408	0.5
81.07062	3.9
83.04995	0.6
83.08607	1.1
85.06537	0.6
90.17068	0.4
91.05489	3.2
93.07081	2.4
94.04202	2.9
95.04967	1.6
95.08617	2.4
97.06533	2.2
97.10191	0.6
98.21529	1.1
98.33617	0.5
100.53191	0.6
103.05467	1.4
104.00826	0.5
105.07043	3.9
107.04974	0.7
107.08578	2.9
109.02889	1.1
109.06516	0.8
109.10172	2.0
111.00844	0.6
116.56299	0.6
117.07022	0.8
118.04232	0.5
119.04913	0.5
119.08585	2.1
121.02907	0.5
121.06518	1.4
121.10159	1.4
122.03651	8.7
123.08087	0.4
131.04948	1.0
131.08577	0.9
132.56987	0.5
133.06494	2.2
133.10126	1.4
135.11710	1.2
137.02390	1.6
137.05980	100.0
141.06979	0.6
141.09148	0.5
142.07864	0.5
143.08560	0.6
145.10127	1.9
147.04437	0.8
147.11703	1.1
149.05992	1.4
149.09618	0.7
149.13252	0.6
151.03937	2.2
151.07547	1.9
152.06210	0.5
153.01823	2.3
153.05504	1.1
153.07004	1.9
155.08580	1.0
157.10129	0.9
159.11671	0.8
161.05960	3.8
161.13268	1.2
163.03918	0.7
163.07616	1.1
165.01840	1.1
165.07007	2.9
165.09164	0.5
168.05733	0.7
169.06464	0.8
171.08156	0.5
173.13260	1.2
175.14784	0.6
177.05453	0.6
179.07106	0.7
181.06525	1.5
182.07210	0.6
183.02974	0.5
183.08044	2.4
189.09102	1.0
197.05923	0.4
199.07504	0.6
199.14774	0.8
200.08444	0.5
201.05489	1.5
201.16428	0.5
211.07524	3.1
213.08986	0.5
215.10620	0.7
225.09105	1.4
229.05023	1.6
239.07054	1.0
243.10147	2.5
247.05920	0.6
253.08385	0.6
257.04486	1.1
257.11624	0.8
271.09677	2.9
272.10440	0.7
273.11215	0.6
285.11212	0.9
288.05249	1.6
303.04959	26.7
303.12320	2.2
303.16077	1.6
303.19662	0.8
303.23029	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	303.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90768	0.2
65.03934	3.3
67.05489	0.3
69.07063	0.7
70.89838	0.4
79.05518	0.3
81.07053	0.8
91.05476	0.6
92.04481	0.4
92.05009	3.7
93.07015	0.5
94.06561	0.9
95.08585	0.5
96.08152	0.3
97.06529	0.3
105.07024	0.6
107.08572	0.6
120.04470	2.2
121.10143	0.5
122.05974	0.4
122.09641	0.5
124.11248	0.4
131.04990	0.3
131.07339	0.3
131.08548	0.3
134.06087	0.4
137.02301	0.4
137.05980	5.1
138.05508	23.6
138.09137	10.2
138.10211	0.4
142.07779	0.5
144.08026	0.3
148.03931	3.7
148.04985	0.4
150.09148	1.4
152.24359	0.3
153.01900	0.3
153.06960	0.5
163.05042	1.0
165.06938	0.7
166.05005	36.1
169.08849	0.6
171.10466	0.5
173.08475	0.3
174.09102	0.3
183.09261	0.4
184.07570	0.4
184.11232	1.1
185.08380	0.3
186.09122	0.5
186.12816	0.5
194.09659	0.5
196.09985	1.2
198.09091	0.8
199.10110	0.4
200.09413	0.7
201.10201	1.1
202.12328	0.4
205.06053	0.4
211.12375	1.6
212.08881	0.3
212.10727	3.8
213.10246	0.4
213.13849	0.5
214.12364	3.6
216.10266	0.4
219.17964	0.3
228.08919	0.9
229.04953	0.5
229.09651	1.2
229.13362	2.8
230.11800	2.6
232.13356	3.8
239.11845	2.3
240.10298	1.4
241.13388	0.8
242.11847	4.6
243.07715	0.4
243.11230	1.2
244.09872	0.4
247.10909	0.3
256.08414	3.7
257.09229	2.5
257.12854	12.2
258.11069	0.4
259.12036	0.8
259.14471	0.4
260.12827	2.8
267.11292	3.7
268.09644	1.1
271.09656	0.6
272.11563	13.5
274.09473	6.6
275.10269	1.2
275.13879	6.2
285.12341	20.5
286.10760	1.3
303.05557	4.1
303.13385	100.0
304.13690	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2321
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
55.05521	24.4
57.07063	9.6
67.05503	22.0
67.35485	2.5
69.03448	2.6
69.06738	3.2
69.07079	32.1
71.04971	3.1
71.52148	3.1
79.05495	15.1
81.06594	4.7
81.07060	70.5
83.08610	11.8
91.05466	8.9
93.07048	29.2
95.04979	4.0
95.08611	42.4
97.10182	13.9
105.07042	47.7
107.08595	43.1
109.10168	31.0
111.08075	3.4
117.07021	4.6
119.04994	2.7
119.08597	38.2
121.06498	3.0
121.10151	40.4
123.08085	2.6
123.11723	39.5
131.08591	15.3
133.06488	5.1
133.10156	25.8
135.11707	21.5
137.02388	3.5
137.05963	4.0
137.09598	3.4
137.13252	4.5
139.07504	5.9
139.11179	4.3
142.83682	2.3
145.10126	23.1
147.11710	38.9
149.09653	5.2
149.13246	18.9
151.07555	9.0
153.01904	2.9
157.10077	3.3
159.08122	2.8
159.11697	18.6
161.09692	5.4
161.13286	19.7
163.14830	5.9
165.09166	11.5
165.12753	12.2
167.10703	3.8
173.13245	17.1
175.11255	4.3
175.14828	27.3
177.09183	3.2
179.10760	11.1
181.12250	4.3
187.14876	13.6
189.12820	11.3
190.00888	2.1
193.12259	48.8
199.14835	8.8
201.09172	6.0
201.16409	15.4
202.90987	2.6
205.12283	6.5
207.13811	41.9
214.17174	3.3
215.14276	2.6
215.17989	20.2
219.13774	5.8
221.15393	5.2
229.04997	3.4
229.15936	3.5
233.15405	5.4
242.20221	3.0
243.17351	3.0
247.16966	8.9
257.22659	98.6
261.18573	10.2
267.21082	2.7
285.14963	4.2
285.22150	42.2
288.05203	16.4
303.04730	23.7
303.08084	14.0
303.23212	100.0
303.30820	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	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01875	1.5
55.05490	1.2
56.05016	1.5
57.03434	4.5
58.06604	1.1
60.04531	8.4
61.02921	3.9
67.05504	1.1
69.03429	15.1
69.07072	34.8
69.55811	7.0
70.06597	3.8
71.05003	1.8
71.08636	21.8
72.08165	2.0
73.02914	3.9
79.05495	1.9
81.03419	7.5
81.04536	1.7
81.07066	1.9
83.06084	1.3
83.08650	1.4
84.04510	4.9
84.08163	5.3
85.02910	59.5
86.02416	5.1
86.06083	2.1
86.09721	7.5
87.04496	1.7
91.03951	1.9
91.05493	2.3
94.06554	1.4
95.06108	3.3
96.08125	3.0
96.46140	1.0
97.02898	37.5
97.06526	5.7
98.09696	1.7
98.97606	1.4
99.04461	2.4
103.03964	4.6
107.04979	1.8
109.02847	10.1
114.09177	20.1
120.08137	2.8
121.06484	1.8
121.46749	1.3
124.08724	2.0
127.03922	14.3
127.04861	1.6
129.10258	1.2
130.06525	1.4
137.05983	4.2
138.06334	5.1
138.09138	2.7
142.08646	100.0
142.09656	4.9
145.04977	8.0
147.04445	2.4
148.06186	1.3
149.07448	2.5
150.07771	1.0
156.10193	3.9
164.07086	3.1
184.09698	67.5
194.08032	1.2
208.09705	15.8
220.09677	2.2
238.10851	1.9
250.10744	10.9
260.14001	4.1
286.12891	2.9
304.05362	3.2
304.14130	9.4
305.11990	1.2
305.15503	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	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
56.96553	1.0
61.02927	0.6
67.05487	0.8
69.03429	1.9
70.06598	0.7
70.90675	1.4
72.36092	0.5
73.02907	0.6
74.06069	1.3
79.05487	2.4
81.03430	0.9
81.04553	2.7
81.05804	1.8
81.07056	3.2
85.02918	3.0
86.09720	3.8
86.10170	0.7
94.06585	1.1
95.04972	1.0
95.06087	1.6
96.08141	10.2
96.08844	0.8
96.08960	0.7
97.02902	2.0
97.06571	0.6
98.09707	0.7
98.97601	1.7
106.06572	1.5
106.07291	0.8
107.04951	0.6
108.62840	0.5
114.05606	0.6
121.06543	0.6
124.07604	86.7
124.08665	5.5
125.07127	0.8
127.03919	1.2
137.05986	1.5
138.06396	0.8
141.09212	0.6
142.08655	100.0
142.09737	10.1
151.48119	0.8
157.13396	1.2
163.03966	0.6
184.10870	0.8
185.09233	1.0
185.12811	0.7
187.14491	1.6
201.12378	0.6
212.06168	0.6
215.13933	1.0
234.36642	0.5
242.50558	0.5
286.13959	1.4
304.15219	4.7
305.11728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1168
Annotation	8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
Peak:m/z	Relative Intensity
55.01851	0.0
55.78875	0.0
60.81481	0.0
62.88690	0.0
69.07063	0.0
72.32275	0.0
75.04439	0.0
76.56532	0.0
78.57082	0.0
79.05448	0.0
81.07053	0.1
91.05424	0.0
93.06992	0.0
95.08598	0.0
97.79857	0.0
105.06944	0.0
106.19387	0.0
107.04916	0.1
115.05448	0.0
115.42168	0.0
121.06500	0.1
121.10113	0.0
128.25824	0.0
131.04900	0.1
141.06947	0.0
145.06548	0.0
146.07115	0.0
152.06204	0.0
161.05946	0.1
163.05380	0.0
165.07037	0.0
168.05681	0.0
169.06360	0.0
171.08052	0.1
175.07568	0.0
176.06094	0.1
178.07806	0.1
179.08461	0.0
182.07211	0.0
189.06764	0.4
190.07755	0.2
191.08525	0.9
198.91179	0.0
200.06279	0.1
201.07024	0.1
202.07738	5.6
203.08531	2.5
204.05623	0.0
204.09311	0.2
205.06445	0.2
205.10020	0.3
206.07201	0.1
206.10744	0.1
213.06972	0.1
214.07668	0.1
215.08531	2.3
216.09348	0.6
217.06453	0.1
217.10100	0.7
218.07222	0.8
218.10774	0.1
219.08022	6.9
220.08752	0.2
221.09601	0.1
226.07799	0.2
227.08513	0.2
228.09331	0.1
229.06306	0.3
229.10066	0.0
230.07242	2.9
231.08018	13.1
232.08795	1.0
233.05873	0.1
233.09589	2.7
234.06927	0.1
234.10361	1.7
235.07448	0.1
235.11127	0.1
241.06422	0.1
242.07266	0.4
243.07986	0.9
244.08818	0.9
245.09587	14.1
246.06839	0.3
246.10368	5.1
247.07510	11.7
248.08272	0.6
249.09178	0.2
249.12682	0.1
255.08009	0.1
256.08789	0.1
257.05893	0.1
257.09659	0.1
258.06772	1.3
259.07523	4.5
260.08264	0.6
261.09076	10.5
262.09845	16.8
263.10480	0.4
264.07541	0.0
271.07639	0.1
272.08267	0.5
273.09064	8.7
274.09839	20.4
275.07019	5.0
275.10410	0.8
275.13321	0.0
276.07770	0.7
276.11359	0.3
277.08737	0.4
277.12186	6.0
278.12210	0.1
287.10693	0.3
288.11374	0.6
289.08557	2.0
290.09329	17.4
291.10062	0.8
304.10883	0.7
305.11667	100.0
306.12238	1.9
319.09671	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03721	0.3
53.03930	1.2
54.45638	0.2
55.01890	0.3
61.32100	0.2
67.05507	1.1
69.93485	0.5
69.93899	0.9
77.03932	0.7
79.05487	0.6
81.03406	0.2
81.05796	0.3
81.07058	2.0
91.05484	2.9
93.05798	0.4
93.07051	2.5
94.06574	0.5
95.04978	0.9
95.08591	0.3
96.08141	0.8
97.06518	0.5
98.97520	0.5
105.04528	0.3
105.06934	0.3
107.08618	0.5
108.04501	0.8
108.08089	1.8
109.06509	0.3
122.06037	4.0
124.07594	9.4
126.05518	1.0
136.07578	100.0
138.09143	0.5
140.07082	0.6
150.05527	0.6
152.07068	20.3
164.07066	80.1
165.07358	0.4
166.08653	0.4
170.08141	5.3
182.08128	17.8
287.10989	0.2
287.13892	5.9
290.09235	0.4
305.05484	1.0
305.11597	2.8
305.14957	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
53.44590	0.3
55.01886	0.3
67.05503	0.8
71.52677	0.4
77.03971	0.5
79.05487	0.6
81.07053	1.6
83.04128	0.3
84.17879	0.3
91.05480	3.2
93.07050	2.8
94.06590	0.7
95.04978	0.8
95.08614	0.4
96.08139	1.0
105.04552	0.5
108.04490	0.5
108.08115	2.0
117.67011	0.2
122.06026	4.0
123.11726	0.3
124.07593	9.6
126.05531	1.5
136.07582	100.0
137.07843	0.4
140.07079	0.9
150.05516	0.7
152.07069	19.5
154.30708	0.3
164.07071	81.0
165.07455	0.4
166.08582	0.3
170.08141	5.0
182.08136	17.8
184.09659	0.4
269.12720	0.3
272.62183	0.3
274.09659	0.4
281.37930	0.3
287.10672	0.2
287.13889	6.1
290.09219	0.4
305.05542	1.0
305.11914	1.9
305.15100	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	305.1499
Annotation	NSC 177499
Peak:m/z	Relative Intensity
51.65974	0.4
55.01877	0.7
56.66037	0.5
61.02909	0.5
65.03954	0.5
67.05513	2.6
69.03438	1.6
69.07064	0.5
70.76208	1.0
70.76561	0.8
71.04996	2.4
79.05513	2.6
81.03433	0.8
81.07072	1.8
83.08629	0.9
84.08138	0.6
85.02908	3.3
85.06554	1.5
91.05489	1.8
93.05785	1.7
93.07079	1.3
94.06583	4.0
95.05000	2.2
95.06107	0.5
95.08627	0.6
96.08138	1.0
97.02931	1.1
97.10184	1.4
107.08600	3.9
107.46095	0.5
108.07441	0.9
108.08139	15.6
109.06525	1.0
110.06056	5.4
118.06563	6.0
119.04982	0.5
119.07346	4.8
120.08118	9.1
121.06570	0.5
122.06064	4.4
123.06834	1.9
124.07616	9.5
125.02311	0.6
125.09649	5.6
126.60307	0.5
132.08116	0.8
133.07593	0.8
134.06044	0.6
135.06830	0.7
136.07596	86.2
137.05954	0.6
138.09148	0.9
140.07040	0.6
141.07901	0.7
142.08665	10.0
143.07033	0.7
143.10715	7.0
143.30742	0.5
144.04839	0.7
144.24753	0.5
145.07628	0.9
146.06015	5.0
146.08487	0.9
146.09669	0.6
147.04402	1.3
147.06827	2.2
147.09183	0.9
148.07573	5.7
152.07098	1.5
154.08678	2.9
160.07588	1.4
161.07098	1.1
164.07086	34.2
166.08672	0.9
167.10712	0.5
168.08165	0.7
170.08395	1.1
170.09703	0.7
172.09979	0.6
172.11259	1.1
173.07100	0.7
173.10799	4.7
174.07899	1.4
181.08904	2.1
182.09593	0.8
183.09146	1.3
183.10573	0.6
184.09958	1.0
185.10796	1.2
195.09209	1.0
196.11276	2.1
197.10754	2.2
198.07964	1.0
198.11504	3.3
199.08740	1.3
199.12428	0.6
201.10255	6.0
211.08742	2.5
211.12335	0.7
212.09344	2.4
213.10278	6.7
213.13823	3.4
215.11784	1.0
223.12402	1.1
224.10765	2.7
225.10242	3.8
226.11006	9.4
227.08145	0.6
227.11807	0.9
228.12509	0.6
239.08325	0.6
239.11974	1.2
240.08945	1.7
240.12602	2.1
241.09814	5.2
241.13387	24.7
242.11887	0.9
242.50511	0.5
253.09772	0.5
254.10614	3.4
258.13681	0.7
259.14465	26.1
261.14371	1.0
269.12885	38.2
277.15515	1.9
287.11435	0.9
287.13925	35.9
305.12088	4.0
305.14987	100.0
306.15381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17640	0.3
55.37323	0.3
58.02972	0.4
67.05511	0.5
69.07075	1.6
70.09910	1.3
79.05484	0.5
81.07069	0.7
91.05473	0.5
93.07053	0.4
94.04180	1.9
95.08572	0.5
97.51114	0.3
107.08601	0.5
109.10171	0.9
114.09142	0.4
122.03664	6.0
133.10146	0.6
135.11708	1.1
137.05991	100.0
151.11159	0.4
153.12770	1.1
164.09032	0.3
170.15373	1.9
182.15411	3.3
212.80472	0.3
268.09579	0.3
306.20688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46786	2.1
55.06860	2.1
58.03907	2.2
69.30534	10.9
69.30961	9.4
80.73804	2.1
88.36139	2.6
89.21746	2.2
95.22734	2.5
105.30834	2.1
161.27580	2.5
170.20258	2.4
260.30725	2.2
307.07870	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	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55046	0.4
56.05042	2.1
56.96533	0.5
58.06596	3.6
61.01146	1.2
69.07091	0.5
69.70937	2.3
70.06602	0.5
78.84628	0.4
79.05486	0.8
81.07089	0.5
84.04506	23.8
84.08144	100.0
85.32246	0.4
86.06068	6.2
86.09705	5.5
88.04001	2.5
91.05469	0.4
93.07075	0.5
96.04513	0.6
98.09681	0.4
98.21548	0.4
98.97578	0.8
102.09222	0.4
107.08585	0.7
112.83454	0.4
114.12772	0.5
120.41750	0.4
122.80004	0.4
130.08646	1.7
132.08434	7.2
132.59039	0.4
137.05891	0.5
141.13855	7.7
144.10217	0.6
147.13179	0.4
153.09106	0.7
169.13368	8.7
197.12900	0.5
198.11299	1.7
199.02562	0.4
201.12363	0.8
215.13910	41.0
243.17044	51.2
257.04214	0.4
261.16248	0.8
262.11151	3.3
285.02499	0.4
289.15543	0.5
307.16843	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	307.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
55.05516	2.7
56.96573	18.8
57.03426	3.4
59.05000	1.7
61.02927	2.9
67.05502	6.4
67.41540	1.4
69.03437	7.9
70.06580	3.9
70.98130	1.8
71.04996	3.2
72.08150	4.1
72.93795	2.0
73.02927	2.0
77.08595	1.4
79.05506	60.5
80.05843	2.2
81.03407	4.4
81.07073	18.8
83.04996	3.9
84.04505	3.4
84.08147	15.2
84.96057	1.7
85.02911	13.9
87.04454	2.3
88.07638	1.7
91.04555	1.5
91.05486	11.8
93.07038	7.1
95.04969	4.1
95.08602	5.5
97.02888	7.4
98.97598	27.7
99.04465	3.7
105.07018	7.9
107.04979	2.4
107.08610	100.0
108.08910	2.4
109.02857	3.1
109.06508	4.3
110.97562	5.2
111.04445	5.1
114.10293	3.7
116.98624	8.1
117.07081	2.5
118.06673	1.5
119.04929	4.1
121.06516	6.0
122.07144	6.6
123.08067	5.2
125.09658	28.6
127.03918	3.8
128.98642	2.6
129.05540	1.8
130.04984	3.0
132.95854	2.7
132.98073	1.8
135.01175	1.6
137.06003	9.6
138.06310	1.7
143.10692	68.4
143.11816	3.5
144.04796	3.4
144.06578	2.6
144.10245	2.4
145.04970	3.4
145.06494	2.5
145.07635	2.9
147.04419	2.6
149.05991	4.5
150.96906	2.8
150.99123	3.2
153.09033	2.9
155.04649	3.9
157.03505	1.5
158.99695	8.9
161.05943	2.0
161.11743	5.5
162.05415	2.1
163.03900	1.8
164.05923	2.2
164.07091	7.3
164.08244	4.3
164.56148	2.1
165.05385	2.5
167.07076	3.4
167.10695	2.4
172.05663	4.6
173.06158	3.1
177.00800	2.9
178.08630	5.0
179.06978	2.0
181.06250	2.4
184.03912	2.1
193.04651	7.9
197.01260	3.7
202.05052	8.6
202.06699	2.5
202.54997	2.7
203.00008	2.0
205.01762	2.0
215.13918	3.5
219.01796	3.8
223.02808	2.2
227.06955	3.1
237.02773	2.5
241.03917	5.8
243.17094	3.6
247.06126	2.8
254.59326	2.5
259.05057	2.0
262.07819	3.2
262.58026	2.0
271.09720	2.6
276.96188	1.9
285.02850	5.8
289.07333	2.9
289.10681	2.9
291.07507	2.2
298.07401	1.6
303.03909	4.8
307.07693	2.3
307.12772	15.5
307.16693	4.8
327.03867	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	307.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63491	1.2
55.01862	1.6
55.05505	2.7
56.05015	1.5
56.96570	3.2
58.06604	1.3
61.02929	1.7
67.05506	4.1
68.23716	1.3
69.03429	15.0
69.82908	7.7
70.06583	1.6
71.04981	3.1
72.08146	3.4
73.02929	2.6
76.02209	2.2
77.57343	1.3
79.05494	51.5
81.03409	4.7
81.07069	17.7
83.04974	4.3
84.04497	6.6
84.08150	17.9
85.02913	9.5
85.06535	1.7
86.09673	2.4
87.04448	1.4
91.05497	8.2
93.07029	6.9
95.04947	2.8
95.08595	6.6
97.02874	4.9
98.06071	1.6
98.97588	10.2
99.04464	3.0
103.05444	3.5
104.05285	2.2
104.58646	1.4
105.07025	5.9
107.04945	3.0
107.08595	100.0
108.69106	1.6
109.02866	1.7
109.06514	5.8
111.04430	4.2
115.05436	4.7
116.07164	1.3
116.98617	3.3
117.06999	6.9
119.04918	3.2
121.06525	4.1
121.10136	3.5
122.07160	4.3
123.08060	2.3
125.08781	2.5
125.09636	29.2
127.03943	3.9
127.07531	4.3
129.05516	2.0
129.06947	1.7
131.04913	4.0
134.05934	2.0
135.08044	3.1
137.05963	9.5
143.04945	1.8
143.10674	82.2
144.04726	2.4
145.04948	3.0
145.06483	10.3
145.08565	2.1
147.04420	3.8
147.06482	5.1
149.05986	3.4
152.07039	2.8
153.09119	2.8
155.04861	1.5
157.06514	4.4
158.06001	2.6
158.99643	4.0
159.04413	3.0
160.05177	2.3
161.06003	3.4
161.11784	7.8
163.03928	8.4
163.07574	4.4
164.06995	2.3
164.08263	3.5
167.10666	2.0
169.06451	1.8
169.13387	2.0
173.05968	5.7
175.07428	7.4
175.08810	3.5
177.00656	1.6
177.05301	1.5
178.04994	3.7
179.07076	3.9
186.03229	1.8
189.05573	1.6
189.09073	1.4
190.02596	2.9
191.07040	4.8
192.04224	1.5
193.08585	5.6
195.06462	1.6
200.04860	1.8
201.05289	2.0
201.09227	2.9
203.06998	2.3
205.08549	12.1
206.09399	5.7
207.06445	9.0
211.09547	1.6
215.13914	6.9
216.06586	3.5
217.08553	2.7
219.06499	2.6
220.07219	2.0
223.09546	2.4
229.04980	4.7
233.04474	9.3
233.08142	5.6
234.08800	2.3
243.17067	8.7
245.08113	2.2
251.09175	28.1
261.07449	8.0
261.12073	1.8
262.11166	1.6
271.10538	4.4
274.04697	2.3
289.07263	6.0
289.11520	4.7
290.06586	3.4
291.10309	1.5
307.08289	7.4
307.12665	14.8
307.16660	7.0
327.03891	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03933	8.1
55.01887	16.4
55.05521	29.5
57.03441	98.9
57.43619	3.3
67.05180	4.7
67.05510	59.8
69.03432	5.3
69.07076	22.3
71.04977	4.7
71.37700	4.6
71.38049	3.2
73.86454	2.9
79.05492	39.1
81.03429	7.2
81.07063	50.6
83.04987	82.1
83.08612	9.7
85.06522	7.5
91.05490	54.3
93.07050	42.7
95.04973	17.5
95.08624	36.0
96.08897	3.9
97.02940	4.3
97.06532	8.8
97.10172	2.6
99.04456	8.8
99.08128	3.0
105.07038	36.8
107.04962	100.0
107.08614	27.1
108.05775	5.4
109.06524	35.5
109.10152	16.2
110.56183	3.6
111.04449	46.2
113.05975	4.7
115.05482	6.4
117.07032	21.4
119.08591	23.5
121.02863	2.7
121.06527	18.0
121.10140	13.0
123.04372	4.1
123.08063	10.2
123.11714	3.6
125.06001	10.1
128.06218	4.1
129.06972	14.2
131.08563	20.4
133.06482	15.2
133.10147	20.6
135.08069	24.0
135.11676	7.9
137.05968	34.0
137.09653	8.4
138.06285	14.3
141.07001	5.1
143.08615	6.9
145.06493	8.1
145.10162	18.7
147.08080	13.7
147.11671	9.4
149.06015	16.5
149.09627	8.9
149.13275	5.3
151.07504	6.6
151.11050	3.8
155.08562	8.9
157.10141	10.3
159.08084	17.2
159.11673	10.3
161.09547	9.2
161.13281	5.6
163.03888	8.6
163.07497	10.2
163.11145	7.1
163.14644	3.7
165.09123	4.7
165.12694	11.3
166.13092	10.4
169.10118	4.5
171.11708	11.9
173.09589	8.7
173.13283	8.5
175.11145	3.8
177.09082	6.7
177.12743	19.0
178.13457	6.2
181.10114	4.2
183.11655	3.1
185.09703	6.1
187.11174	7.8
187.14854	7.4
189.12732	3.0
197.13326	3.7
205.15916	18.2
215.14267	11.5
215.17932	3.3
217.12289	5.7
225.16423	3.9
233.15411	47.8
243.17493	14.6
253.15945	6.4
261.18527	35.0
262.09601	3.4
271.16937	32.1
289.15149	3.3
289.18008	88.7
289.21307	6.9
290.21957	15.5
307.09500	8.0
307.12726	8.0
307.24936	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	307.1907
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03955	2.1
55.01884	10.5
55.05518	43.0
56.99105	2.3
57.03441	32.6
59.05011	3.8
65.03951	2.5
67.05513	34.1
69.03430	7.0
69.07085	13.2
69.85076	10.3
79.05499	37.7
81.03428	6.8
81.07070	21.2
83.05008	4.2
83.08630	15.3
85.06577	2.2
85.74178	1.9
91.05503	20.1
93.07037	20.5
95.05000	10.2
95.08624	7.9
97.06565	5.5
97.10190	30.7
105.03391	2.3
105.07043	16.6
107.04958	14.9
107.08609	23.9
109.06553	13.3
109.10169	14.5
115.05508	2.1
117.07036	11.8
119.08592	19.3
121.02895	3.1
121.06524	6.9
121.10153	5.6
123.08073	3.0
125.09634	21.4
129.07004	5.2
131.08569	9.1
133.06540	3.6
133.10123	5.5
135.08081	18.3
137.06023	3.6
137.09625	4.4
143.08601	4.3
145.06528	7.3
145.10149	6.7
145.33310	1.9
147.08057	5.8
149.09695	2.7
153.09135	8.8
155.08643	2.9
157.10112	5.2
158.51981	1.8
159.08072	51.2
160.08852	3.4
161.09669	2.6
163.03975	9.9
163.07573	4.6
163.11157	2.5
165.12833	3.3
171.11716	3.7
173.09674	6.3
173.13237	3.7
175.11235	2.3
177.09088	5.7
183.11694	2.3
185.09685	5.9
187.14851	5.1
189.11276	6.7
189.12836	2.2
193.12292	3.0
195.11790	2.9
197.13307	4.1
207.11713	3.5
215.14305	10.9
225.16389	2.5
233.15395	24.0
243.17494	4.6
247.10677	2.5
253.15948	9.9
271.16965	33.4
289.17999	100.0
292.07248	2.5
292.10217	3.3
307.09732	12.4
307.12439	10.6
307.20273	6.7
307.24142	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81579	3.5
53.03938	16.5
55.01873	38.3
55.05514	37.5
57.03437	7.5
57.07084	4.4
65.03951	3.5
67.05505	63.1
69.03423	7.1
69.07072	44.8
69.84721	19.2
71.04984	5.9
79.05502	66.4
81.03410	36.2
81.07059	100.0
83.04986	19.5
83.08620	10.6
85.06525	9.3
91.05480	50.6
93.07050	66.3
95.01302	6.3
95.04968	16.3
95.08611	43.1
97.06531	72.7
97.10172	12.9
98.20876	4.4
99.08113	3.9
105.07040	80.3
107.04962	30.2
107.08600	45.9
109.06525	15.2
109.10163	17.8
111.08062	6.8
117.07018	22.3
119.08599	49.4
121.06516	7.4
121.10150	16.3
123.04411	6.3
123.08113	9.6
123.11710	7.4
125.09655	18.5
129.07050	4.5
131.08578	23.7
133.10144	49.5
135.08078	7.8
135.11682	22.0
137.06007	6.9
137.09625	4.6
138.06381	4.9
143.08528	8.1
145.06543	3.7
145.10159	19.4
147.11693	25.2
149.09633	27.6
149.13293	11.6
153.09087	5.9
157.10219	5.9
159.11688	24.1
161.13301	8.3
162.96794	3.6
163.11174	7.3
165.09100	4.3
171.11725	4.2
173.13194	7.7
175.11241	5.7
177.12735	21.1
179.14326	15.2
183.11743	4.6
187.11189	12.3
192.68672	3.9
197.13316	3.6
203.12785	11.6
205.12306	4.2
209.15474	5.5
219.17433	27.8
229.19547	5.3
239.17825	4.4
247.20560	6.0
257.19028	8.9
275.20059	95.1
307.09460	6.4
307.12585	6.5
307.22693	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	308.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01873	6.8
55.05496	2.8
56.96567	67.7
57.03427	9.3
61.02937	31.7
65.03924	3.1
67.05505	17.9
67.10003	2.9
69.03436	20.5
70.06605	18.6
70.98123	5.8
71.04977	5.9
71.95274	3.1
73.02913	19.8
74.97620	3.8
76.02221	3.1
79.05507	33.0
81.03425	6.5
81.07066	15.0
82.99858	3.2
83.04964	3.6
84.08160	18.5
84.96033	9.4
85.02914	40.5
87.04446	2.6
88.07645	7.2
89.03941	8.1
91.05473	14.5
92.05846	3.9
93.07056	22.8
95.04955	7.7
95.08620	24.3
96.01557	2.9
97.02892	19.8
97.06551	4.0
98.97593	74.9
100.07650	2.9
101.00886	35.2
102.00966	6.8
102.96915	5.1
103.05474	8.6
105.00171	22.4
105.07034	61.1
106.00967	3.2
106.03574	2.9
106.97878	3.0
107.05005	3.0
107.08600	4.7
109.06551	15.2
110.01276	8.5
110.97593	11.9
113.00842	3.7
113.02409	3.4
115.02473	3.3
116.98621	18.0
117.03406	9.7
119.01920	100.0
120.02033	12.5
121.06520	32.1
123.01182	18.4
123.08083	15.3
124.08472	3.5
124.95516	3.4
124.99128	12.0
127.03926	10.6
128.02304	18.1
128.07074	5.7
128.98618	13.9
129.10243	3.9
130.08644	3.2
131.00145	4.3
131.01900	5.9
133.03513	4.1
134.03563	3.6
135.04405	7.1
135.08112	3.9
137.02925	22.1
137.06006	42.2
139.07545	6.0
140.98602	4.7
141.01257	3.7
141.02255	7.5
141.03969	5.3
142.03467	5.3
142.13519	2.7
143.00217	16.0
143.01959	10.7
144.02269	3.0
145.02693	4.0
145.04970	9.8
146.08148	5.8
146.99678	11.0
147.04436	5.2
149.02887	3.7
149.05962	16.6
150.01805	4.3
151.00696	5.2
153.02242	7.6
153.03989	3.8
157.03552	4.4
158.99681	26.5
160.00050	4.7
160.04546	6.6
161.01254	10.8
161.02901	6.2
161.04472	2.7
163.02626	5.8
163.03923	74.4
163.05978	21.4
164.04340	5.7
165.00742	3.2
165.05486	3.2
167.00279	2.8
167.07050	22.5
169.01762	6.3
170.99696	6.2
171.03210	5.4
171.05008	4.2
173.02898	3.1
173.06599	3.8
176.05260	3.0
177.00731	11.6
177.02327	14.4
179.00168	10.2
179.03624	5.2
180.03755	7.0
181.07124	20.2
181.08534	4.9
185.01263	7.9
185.09209	3.8
187.02773	7.1
187.04344	5.4
188.01059	4.0
189.00729	9.2
189.02399	3.6
189.05891	3.4
191.02255	3.8
191.03874	5.9
193.00188	3.5
193.04576	3.3
193.54601	4.6
195.03366	10.4
195.05136	5.5
197.01228	35.9
197.04903	6.5
197.06616	8.1
199.04561	13.2
199.08186	12.6
200.04482	6.5
202.04878	9.6
202.55029	11.4
203.02167	8.4
203.03951	4.3
205.01859	6.0
205.07104	17.7
207.05072	5.9
209.05624	7.2
210.11250	4.6
211.55367	3.3
213.03256	15.4
215.02232	33.5
215.07751	3.1
216.00618	6.1
216.13474	3.9
219.01817	10.4
220.02213	5.4
220.04196	12.5
222.04535	4.8
223.02777	18.3
223.04649	8.7
223.08167	65.3
224.54521	5.3
225.06131	5.2
229.04454	5.1
230.02138	3.2
231.01897	3.9
231.05234	5.4
237.02867	11.8
241.03583	28.8
241.06131	15.1
241.09196	18.8
243.07259	3.7
244.16707	3.9
248.03270	11.9
249.02901	9.9
249.06114	11.1
259.04855	15.4
264.07370	9.3
267.04053	8.7
267.07132	75.1
273.06476	6.0
278.04913	4.1
283.04919	4.2
285.03030	13.9
285.08194	61.3
287.05106	4.7
289.99268	3.9
291.03882	9.0
297.06467	3.4
303.03741	16.0
308.08087	6.2
308.11084	4.8
308.15967	14.6
309.04962	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	308.2221
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
51.99316	0.2
55.00890	0.2
57.07066	0.6
57.83708	0.2
58.02948	0.5
65.03926	0.3
65.59259	0.2
66.04716	0.3
67.05505	0.4
69.07067	0.8
69.74559	1.2
69.74884	0.2
71.08625	0.7
79.05495	0.5
81.03416	0.3
81.07043	1.3
85.10197	0.3
91.05489	0.5
92.31599	0.2
93.07053	0.4
94.04188	1.9
95.08611	0.7
100.07667	0.2
105.07065	0.3
107.08582	0.5
109.06538	0.8
109.10207	0.2
114.09128	0.3
122.03658	6.1
128.10704	0.2
135.11734	0.4
137.05984	100.0
137.13292	0.5
138.06316	0.7
165.12694	0.3
172.16922	1.5
184.16956	2.7
185.17082	0.2
212.22318	0.2
259.07297	0.2
291.23248	1.0
308.10181	0.4
308.18613	0.2
308.22501	0.6
308.25983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74588	0.2
53.03944	0.7
57.03418	0.6
61.02923	0.4
65.03941	0.6
69.03432	3.6
70.86495	0.5
71.04984	0.7
73.02913	0.2
81.03425	7.0
85.02905	4.1
89.03915	0.3
91.05485	8.0
95.04974	0.3
96.60283	0.2
97.02892	0.8
99.04457	0.9
109.02878	2.4
111.04462	0.2
117.03382	0.3
119.04949	21.0
127.03960	1.3
135.04434	0.8
141.87532	0.2
145.02856	0.7
147.04416	100.0
148.04762	0.8
161.97267	0.2
163.03915	4.8
165.04207	0.2
165.05515	3.4
177.05443	0.2
258.61328	0.2
277.08752	0.3
291.08630	7.1
309.09625	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
57.03439	0.5
65.03946	0.5
69.03436	4.2
71.05004	0.4
71.11802	0.5
73.02918	0.3
81.03419	8.0
83.04998	0.4
85.02912	4.2
86.89529	0.2
89.03933	0.3
91.05483	8.6
97.02892	0.8
99.04449	0.8
107.04949	0.3
109.02880	2.6
117.03415	0.3
119.04945	23.9
127.03912	1.0
130.04596	0.2
135.04413	0.7
145.02858	0.7
147.04414	100.0
148.04715	0.5
163.03920	5.7
165.05479	3.9
249.07472	0.3
281.11942	0.2
291.08649	8.1
309.09717	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
53.03943	1.1
57.03426	0.8
61.02913	0.6
63.56467	0.2
65.03940	0.7
69.03088	0.3
69.03431	3.8
71.22607	0.4
73.02930	0.3
77.55930	0.2
81.03418	8.6
85.02908	3.5
87.87120	0.2
91.05481	7.6
97.02880	1.4
98.89883	0.2
99.04461	1.1
101.63610	0.2
109.02883	3.7
118.54404	0.2
119.04944	21.4
127.03939	1.4
147.04411	100.0
148.04745	0.5
163.03900	0.9
165.05510	3.3
232.40460	0.2
237.53415	0.2
249.07458	0.3
291.08612	10.3
309.09521	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40680	0.2
53.03937	0.7
55.01870	0.3
55.03913	0.1
57.03430	0.6
61.02910	0.4
65.03945	0.6
69.03429	4.3
71.05005	0.3
72.11854	0.2
73.02920	0.4
81.03417	8.4
81.07067	0.2
85.02430	0.3
85.02904	3.2
91.05481	7.7
95.04974	0.2
97.02884	1.4
98.21625	0.3
99.04459	0.7
105.07000	0.3
107.04961	0.3
108.08274	0.2
109.02888	3.6
117.03364	0.4
119.04943	22.8
127.03121	0.2
127.03941	1.6
133.06503	0.2
135.04431	0.5
136.78505	0.2
138.50705	0.2
140.56345	0.2
145.02849	0.8
147.04411	100.0
148.04742	0.7
163.03909	3.7
165.05490	3.2
177.05479	0.5
177.09192	0.3
190.09856	0.2
221.09883	0.2
221.40276	0.2
231.06313	0.2
234.06886	0.2
235.07487	0.2
249.07469	0.3
266.09363	0.2
277.08444	0.2
291.08624	9.7
294.08707	0.2
309.09583	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05513	0.2
57.03426	0.4
61.02917	0.2
65.03944	0.6
69.03433	2.8
69.07069	0.5
81.03423	3.7
81.07053	0.7
83.05000	0.3
84.16122	0.2
85.02910	4.4
91.05489	8.4
93.07016	0.2
95.08613	0.5
97.00713	0.2
97.02882	0.6
98.21626	0.5
99.04489	0.4
101.66703	0.2
105.07023	0.2
107.05025	0.3
109.02890	1.5
109.10151	0.4
117.03376	0.7
119.04950	22.0
119.08607	0.3
121.10207	0.2
127.03926	0.5
135.04439	0.6
145.02887	0.7
146.15854	0.2
147.04420	100.0
148.04791	0.4
163.03917	3.5
165.05499	3.8
166.35106	0.3
177.05511	0.7
203.08525	0.3
234.06786	0.2
262.06470	0.3
277.08698	0.8
281.11758	0.4
291.08414	2.9
309.10248	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05512	3.0
57.03424	1.1
57.07060	1.6
59.04990	0.4
65.03934	1.1
67.05511	4.9
69.03428	4.1
69.07072	8.8
71.04987	0.8
71.08634	0.6
71.42117	0.5
72.45599	0.4
73.06567	0.5
78.82408	0.4
79.05508	2.8
81.03420	6.3
81.07056	13.6
83.04979	1.1
83.08619	3.5
85.02907	4.3
85.06538	1.3
89.03929	0.6
91.04900	0.6
91.05479	10.0
93.07043	3.9
95.04951	1.3
95.08608	11.1
95.69095	0.3
97.02881	1.3
97.06510	1.1
97.10147	1.5
97.66938	0.4
98.97605	0.4
99.04455	1.2
99.08084	0.6
103.93017	0.3
105.07031	1.3
106.99943	0.4
107.04944	0.5
107.08598	3.6
107.39376	0.3
109.02900	2.2
109.06550	0.4
109.10162	3.3
111.08075	1.3
111.11709	1.6
117.03403	1.3
118.65883	0.3
119.04947	21.3
119.08575	1.3
121.06495	0.4
121.10130	2.4
123.04453	0.5
123.11707	12.9
127.03937	1.3
133.06505	0.4
133.10127	0.4
135.04428	1.1
135.11714	1.9
137.05946	0.4
137.13206	1.0
145.02835	1.6
147.04410	100.0
147.11697	1.1
148.04793	0.4
149.05972	0.4
149.13232	3.1
153.12749	1.9
161.13293	0.5
163.03909	8.2
163.14775	0.7
165.05489	3.4
167.14342	0.7
167.33325	0.4
175.14949	0.4
177.05495	2.6
177.08966	0.4
177.16347	0.4
178.07867	0.4
179.14134	0.4
203.08585	0.6
222.06850	0.3
225.09135	0.5
231.08081	1.0
234.06683	0.4
248.08498	0.8
249.09317	0.5
253.08580	0.6
255.06525	0.5
260.08429	0.8
273.25766	0.5
276.07852	0.4
277.08704	0.7
278.09384	0.6
279.10223	0.7
281.11783	0.7
291.08319	5.8
291.19498	0.8
291.26743	1.1
309.11423	3.4
309.27921	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	309.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.2
52.29839	0.2
53.03946	1.0
55.01866	0.4
57.03428	0.8
61.02934	0.2
65.03946	0.6
69.03436	3.3
71.05001	0.6
71.10973	0.4
73.02915	0.3
81.03424	8.9
85.02915	3.7
90.13694	0.2
91.05490	7.4
97.02888	0.9
99.04446	1.1
101.07195	0.2
107.04959	0.3
109.02878	3.3
119.04955	21.3
120.05231	0.3
123.04380	0.3
127.03912	1.3
135.04407	0.2
145.02872	0.4
147.04422	100.0
148.04785	0.6
163.03918	1.6
165.05504	3.6
174.05614	0.2
177.05595	0.3
236.33415	0.2
238.78961	0.2
291.08655	9.2
309.09796	2.4
309.14505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67242	0.3
52.08139	0.2
53.03949	1.4
54.03766	0.2
55.01868	0.4
55.05511	1.0
57.03424	0.8
57.07072	0.3
65.03933	0.5
67.05517	1.2
69.03441	3.6
69.07072	2.1
70.95914	0.6
71.04989	0.8
73.02936	0.4
79.05487	0.9
81.03428	8.9
81.07066	3.1
83.04990	0.3
83.08632	0.8
85.02921	4.8
89.03890	0.6
90.62126	0.3
91.05489	8.5
93.07037	0.9
95.04945	0.3
95.08614	2.4
97.02894	1.1
97.06519	0.4
97.10203	0.4
99.04456	0.9
101.02338	0.3
105.07043	0.5
107.04958	0.4
107.08606	1.1
109.02901	3.6
109.10178	1.4
111.08140	0.3
111.11743	0.4
117.03382	1.2
117.06981	0.3
119.04960	23.5
119.08604	0.6
121.10162	0.9
123.04457	0.3
123.11727	0.9
127.03946	1.2
129.05498	0.3
135.04420	2.1
135.11717	0.6
137.06039	0.5
143.08511	0.3
145.02863	1.7
147.04427	100.0
148.04698	0.5
149.13223	0.6
156.79303	0.3
163.03926	11.0
165.05486	4.1
177.05490	1.4
189.07013	0.3
203.08632	0.4
205.06503	0.4
206.07309	0.6
221.09680	0.5
223.19861	0.3
231.08128	0.4
234.06702	1.8
235.07503	0.3
249.09180	0.9
251.07237	0.5
262.06311	0.8
266.09329	0.5
277.08621	2.7
281.11844	1.3
291.08621	9.8
291.19394	0.5
291.26746	0.6
294.08926	0.5
303.13168	0.3
309.09827	1.8
309.13205	3.1
309.18570	0.3
309.27847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1336
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
53.45885	2.0
54.40035	1.7
55.01880	15.0
55.05547	2.0
63.26331	1.9
67.05517	3.4
69.03435	4.1
70.67746	3.4
70.68063	2.1
73.02931	20.6
79.05503	8.0
81.03421	4.9
81.07082	5.0
83.04997	6.2
85.02910	3.7
91.05485	11.9
93.07042	5.0
95.04987	8.2
103.05495	2.5
105.03417	5.3
105.07027	8.6
107.04966	18.1
109.02876	3.7
109.06555	5.3
111.04459	12.5
112.04815	2.1
115.05507	3.1
117.07014	13.3
119.04971	3.2
119.08627	5.7
121.06519	50.9
123.04450	5.1
125.06026	3.2
128.06247	6.2
129.06987	11.7
131.04976	2.4
131.08597	9.1
133.06522	10.4
135.04424	5.3
135.08069	2.3
137.05960	9.1
139.07603	2.9
141.07034	6.1
142.07806	2.6
143.08594	14.8
145.06512	16.2
145.10170	9.5
147.04443	6.1
147.08035	5.8
149.05986	5.4
151.07550	5.5
153.05501	7.9
153.07013	5.8
154.07816	2.3
155.08553	17.6
157.06476	6.9
157.10173	4.2
159.08113	6.1
161.06015	4.3
161.09656	6.6
163.07555	4.3
165.07092	2.6
166.07799	2.4
167.08601	5.6
169.10158	4.5
171.08063	15.7
173.06111	2.4
173.09653	34.2
173.11053	3.1
175.07587	5.0
179.07097	4.9
179.08511	2.6
181.06537	4.1
181.10123	2.9
183.08105	6.2
184.08789	2.0
185.05957	2.7
185.09628	8.6
187.07497	4.5
187.11189	4.3
189.09106	5.7
191.10684	2.7
197.09676	7.0
199.07523	8.8
199.11234	5.1
200.08308	2.3
201.09081	15.6
205.08682	2.2
209.09634	5.0
211.11279	2.6
213.09190	3.3
215.10690	10.7
217.08636	5.6
219.10214	21.6
225.09187	4.8
227.07095	3.6
227.10657	18.7
231.10181	5.1
233.08125	3.4
233.11714	10.0
237.09300	3.2
243.10236	27.9
245.11833	7.5
255.10168	31.6
261.08643	4.4
261.11261	57.6
263.09067	4.4
263.12949	3.1
273.11252	66.6
274.11572	2.3
279.12314	89.0
285.02875	3.0
291.12299	100.0
309.13464	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1485
Annotation	2',4'-Dihydroxy-3'-(1,1-dimethyl-2-propenyl)chalcone
Peak:m/z	Relative Intensity
50.01603	0.3
50.32163	0.3
52.26933	0.3
53.03948	0.9
55.01872	1.0
55.05507	0.9
57.03423	0.5
65.03936	0.5
67.05501	1.4
69.03422	1.4
69.07063	2.0
71.04971	0.7
71.08619	0.4
79.05491	4.0
80.10393	0.3
81.03413	1.1
81.07072	1.8
83.04992	0.8
83.08620	0.5
85.02923	1.6
89.03922	0.9
91.05480	8.1
93.07028	2.1
95.04967	1.4
95.08597	1.9
97.02901	0.7
97.10202	0.5
103.05466	12.4
105.07031	19.9
107.04952	9.6
107.08598	1.2
108.05743	0.7
109.02875	0.6
109.06531	0.8
109.10168	1.0
111.04459	0.4
115.05456	3.7
117.03378	1.4
117.07021	5.6
119.04927	3.5
119.08578	3.7
120.05726	1.0
121.06504	32.4
121.10197	0.4
122.07316	0.3
123.04340	0.4
123.08099	0.5
123.11661	0.5
128.06235	1.3
129.05461	0.7
129.06982	1.7
130.04201	0.3
131.04933	13.0
131.08548	0.6
132.05731	1.9
133.06488	90.4
134.07146	0.6
135.04428	3.6
135.08052	6.1
136.05202	4.1
137.05988	3.9
137.09598	0.5
141.06966	0.9
143.04898	1.0
143.08594	0.7
144.05670	1.0
145.02873	2.7
145.06485	8.6
145.07550	0.4
146.07265	26.1
147.04408	13.3
147.08046	29.8
149.05995	1.5
149.09662	1.7
149.13182	0.4
150.06767	9.1
151.07542	26.2
153.06952	0.4
155.06061	0.8
157.06487	6.7
158.07300	1.7
159.04477	0.4
159.08051	1.5
161.05962	1.3
162.06769	4.9
163.03914	16.2
163.07539	18.2
165.09114	32.3
169.06433	0.3
171.04379	1.5
171.08049	6.1
174.06754	2.5
175.07565	0.9
176.08302	1.1
177.05545	2.5
177.09105	100.0
178.09428	0.9
181.18271	0.4
185.09554	0.8
186.06761	0.6
187.07584	2.1
189.09099	9.2
191.08495	0.5
192.09355	0.4
201.09085	5.5
202.07874	0.4
202.09866	1.6
203.10558	0.6
208.08891	0.5
215.10594	1.0
216.09415	0.4
218.07347	0.5
219.08043	1.3
220.08844	0.4
220.58858	0.3
221.09555	1.2
223.07713	0.5
229.71744	0.5
231.08047	0.7
232.08803	0.7
233.09645	0.6
234.06668	0.8
234.10344	1.0
235.11128	0.6
239.10593	0.6
245.09595	1.2
246.10428	0.8
247.07552	1.5
247.11185	1.2
248.08331	1.0
249.09032	1.7
249.12708	1.2
251.07173	0.6
251.10670	1.2
254.09526	0.5
259.11197	0.6
261.09067	1.3
262.09961	1.4
263.10641	5.7
265.08493	0.6
266.09152	0.5
267.10202	0.6
277.08585	1.6
277.12170	4.9
278.13010	11.8
279.10086	1.2
280.10831	0.7
281.11624	1.4
287.20590	0.3
291.08664	1.3
291.26688	0.4
294.08948	0.8
294.12415	4.0
309.14807	74.0
309.27814	1.0
310.15115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44851	1.1
53.03933	2.2
55.01871	6.8
55.05518	18.9
57.03440	13.0
57.07075	4.9
65.03945	1.4
67.05510	32.0
69.03434	8.8
69.07078	20.3
71.04990	5.5
71.12683	1.4
75.04473	1.3
79.05505	26.4
81.03423	10.8
81.07066	53.2
83.04978	6.8
83.08620	11.1
85.02895	5.2
85.06547	8.2
89.03910	1.9
91.05489	30.3
92.78089	1.4
93.07052	32.0
93.16446	1.2
95.04984	9.5
95.08614	39.9
97.02895	4.6
97.06541	24.5
97.10169	9.9
99.04462	1.3
99.08109	13.7
105.07051	14.6
107.04959	6.1
107.08607	20.8
109.02898	3.0
109.06532	15.0
109.10172	19.4
111.04471	3.1
111.08111	3.8
111.11720	4.6
113.06042	9.3
115.05419	2.0
115.07636	1.4
117.03387	5.9
117.07018	7.4
119.04959	22.1
119.08599	13.9
121.06520	27.6
121.10137	17.1
123.08077	10.2
123.11731	11.2
125.06008	1.7
125.09650	3.4
127.03903	2.5
127.07565	5.1
129.07002	4.5
131.04903	1.5
131.08571	9.3
133.06493	2.2
133.10181	8.1
133.14902	1.2
135.04434	9.8
135.08054	7.4
135.11714	6.3
136.05203	2.1
137.05975	1.7
137.09605	1.9
137.13263	3.8
139.07567	1.6
139.11185	3.0
141.07086	1.6
142.88484	1.3
143.08556	3.9
145.02869	10.0
145.06454	1.9
145.10104	8.0
147.04427	100.0
147.08058	4.3
147.11707	4.4
148.04781	1.6
149.06039	2.0
149.09601	3.3
149.13280	9.5
151.07574	14.5
151.11176	3.3
153.12732	2.2
157.10170	4.6
159.08028	1.9
159.11691	5.3
161.09660	3.7
161.13248	2.9
163.03925	47.1
163.11148	2.4
163.14836	2.7
165.05467	3.2
165.09134	2.2
171.08133	1.3
171.11682	3.1
173.13304	3.0
175.11232	2.4
177.05481	11.2
179.10715	1.7
185.13264	2.2
187.11110	1.7
189.11208	3.5
193.10103	1.5
195.13878	2.2
199.14766	2.7
201.12756	3.2
203.08615	3.8
206.07300	2.1
207.13837	1.5
215.08492	2.1
215.14359	1.5
217.15833	7.1
219.08069	3.0
219.13747	2.0
220.08813	2.5
221.09554	2.7
221.15492	1.5
223.13290	3.3
225.09116	1.8
231.08099	7.4
232.08809	3.2
233.09642	2.4
235.07526	2.1
235.11208	5.5
235.16927	3.0
236.19952	1.4
240.07918	2.8
245.09669	3.7
245.15370	2.0
246.10339	2.2
247.07527	3.7
247.11234	6.9
248.08308	6.8
249.09074	4.2
251.06874	2.7
251.16258	2.0
253.08516	1.9
255.17404	2.7
260.08347	2.5
261.08929	2.0
263.07599	2.6
263.10666	27.9
263.20032	2.3
264.11014	2.8
265.08334	1.4
273.18527	17.3
273.25888	2.3
276.07831	1.9
277.08597	5.3
277.12207	5.6
278.09793	2.9
278.13028	47.2
279.10294	6.9
281.11688	3.2
291.09985	10.5
291.16400	2.1
291.19550	31.9
291.26807	4.3
294.08725	2.2
294.12415	3.7
308.09897	1.7
309.11102	31.5
309.14859	84.7
309.20193	10.7
309.27847	6.0
310.15222	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	309.2063
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03938	1.9
55.01881	9.5
55.05518	32.6
57.03207	1.7
57.03450	24.5
57.07085	3.3
59.05016	2.0
65.03937	2.2
67.05506	28.8
69.03431	5.3
69.07072	11.7
71.04993	4.1
79.05070	3.3
79.05502	40.4
81.03409	5.5
81.07066	53.0
83.04985	6.6
83.08620	16.9
85.02913	4.0
85.06548	4.8
89.03948	2.4
91.05491	27.3
93.07053	27.6
95.04982	13.4
95.08622	20.5
97.06536	4.2
97.10168	20.4
99.08099	5.3
105.07035	20.4
107.04971	19.9
107.08612	17.4
109.06532	18.9
109.10165	10.4
111.04390	2.4
111.08055	4.2
117.03391	3.8
117.07028	17.7
118.37754	1.7
119.04939	5.1
119.07820	3.0
119.08598	38.7
121.06509	12.3
121.10159	7.8
123.08117	10.2
123.11732	2.6
125.09650	16.3
128.06207	1.7
129.07033	6.5
130.07799	1.9
131.08562	15.4
133.06517	4.5
133.10136	5.1
135.04445	5.6
135.08038	11.2
135.11679	5.0
137.09621	3.1
143.08568	8.4
145.02835	7.0
145.10138	21.9
147.04427	18.0
147.08064	23.5
147.11707	4.1
149.09677	3.6
153.09131	2.7
157.10167	11.0
159.08046	3.5
159.11696	7.3
161.09608	5.4
163.03932	26.3
163.11192	3.1
165.09143	4.0
168.09114	1.8
169.10161	1.8
171.10237	4.0
171.11624	3.0
173.11905	1.7
173.13319	5.2
175.11226	3.2
177.05431	2.3
182.15425	5.1
183.11629	4.1
185.13185	3.1
189.09718	2.6
189.11195	13.0
191.14503	2.7
195.11732	2.4
199.11198	2.7
210.14877	5.2
213.12843	2.5
217.15961	3.7
219.13802	9.1
223.13342	5.0
227.17963	3.9
237.14749	2.8
245.19017	3.7
248.08220	2.0
249.06819	3.8
249.14908	5.7
255.17480	4.7
273.18524	53.0
277.08725	1.9
291.10074	5.6
291.19580	100.0
309.11307	10.6
309.14294	1.7
309.25394	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	2.3
55.01861	5.3
55.05268	2.5
55.05515	27.5
57.03435	3.3
59.04993	1.9
67.05510	20.4
69.03422	5.6
69.07076	12.4
70.04063	1.9
71.04996	1.6
71.52415	1.6
71.52813	1.8
79.05499	18.9
81.03423	4.8
81.07058	22.6
83.04976	5.6
83.08613	13.7
85.02905	5.3
85.06516	1.6
91.05489	12.2
93.07059	15.6
93.86215	1.6
95.01332	1.9
95.04989	7.8
95.08606	14.1
97.06515	2.1
97.10179	21.9
103.03920	1.6
105.07038	10.9
107.04950	7.4
107.08610	14.4
109.06538	2.8
109.10162	6.4
111.04482	1.6
111.08096	2.5
117.03412	2.8
117.07026	4.6
119.04892	3.0
119.08584	12.2
121.06531	3.8
121.10147	6.7
123.04418	2.7
123.08073	12.6
123.11734	2.6
125.09639	18.2
128.06317	2.0
129.07031	2.9
131.08565	4.7
133.06520	2.7
133.10117	6.7
135.04407	5.6
135.08026	4.6
135.11728	2.6
137.09604	2.5
137.23027	1.6
143.08539	4.5
145.02840	5.2
145.10138	7.1
147.04391	7.5
147.08101	4.5
147.11713	4.8
149.09618	3.6
155.08540	1.6
157.10132	2.7
159.11681	2.5
161.09618	2.1
163.03920	28.1
163.11185	4.5
165.09085	2.2
169.12137	1.8
171.11707	1.8
177.05486	4.4
187.13370	1.9
189.11232	13.7
203.08615	1.7
209.11841	1.9
211.13342	2.5
212.98340	1.4
223.13286	6.6
227.17972	2.6
239.13937	1.5
248.08427	2.1
255.17554	3.3
273.18527	14.0
276.08139	1.9
291.10452	3.5
291.19553	100.0
309.11035	5.3
309.14938	3.2
309.20554	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03935	5.9
53.11640	1.5
54.41104	1.3
55.01880	18.0
55.05278	2.1
55.05518	28.8
57.03427	5.5
57.07072	4.4
59.04988	1.6
65.03927	3.2
67.05508	69.8
69.03421	4.6
69.06731	2.6
69.07069	27.5
70.96146	1.8
70.96466	1.9
71.05002	9.8
79.05081	2.8
79.05501	41.7
79.39863	1.6
81.03404	5.9
81.07062	88.6
83.01336	3.5
83.04981	14.6
83.08626	10.9
85.02901	4.2
85.06571	7.8
87.04428	1.8
91.05487	51.7
93.06493	2.6
93.07051	47.8
95.04976	12.6
95.08619	36.2
97.02906	2.4
97.06527	6.1
97.10158	4.1
99.04449	4.6
99.08105	4.2
105.04520	1.5
105.07039	55.3
107.04986	9.3
107.08601	56.9
109.02832	1.7
109.06535	11.6
109.10166	86.4
111.04427	6.3
111.08092	7.3
113.05994	4.1
115.07597	1.3
117.03434	1.8
117.07014	9.4
119.04950	2.3
119.08595	18.4
121.06538	9.9
121.10148	13.2
123.04459	3.5
123.08098	8.3
123.11718	15.8
125.06028	2.0
125.09618	5.1
127.07547	4.0
128.06236	4.1
129.07028	6.7
131.08583	13.4
133.06488	6.3
133.10139	100.0
135.04427	1.8
135.08127	7.2
135.11702	10.6
137.06000	2.5
137.09637	4.6
139.07536	6.1
139.11137	1.6
143.08565	5.8
145.02864	3.1
145.06572	1.6
145.10158	12.4
147.04416	6.5
147.08067	11.1
147.11674	6.4
149.09656	7.7
149.13297	1.7
151.11192	67.3
153.09088	3.0
155.08443	1.7
157.10112	6.6
159.08044	1.8
159.11690	6.6
161.09612	11.7
161.13213	3.2
163.03903	10.8
163.11197	3.9
165.12740	2.9
167.10735	1.6
169.12239	17.7
171.11728	5.0
173.13216	1.9
175.11201	6.9
177.05455	2.6
177.09027	3.0
177.12698	1.9
179.10696	4.0
179.14282	1.5
181.08560	2.4
181.12373	1.8
185.13277	3.4
187.11282	2.1
189.12712	4.1
193.12102	1.6
199.11209	2.9
203.14261	3.4
213.16389	1.8
215.12804	9.2
217.12207	2.6
223.13274	2.5
227.17996	3.9
245.19032	16.2
255.17433	4.4
258.63168	1.5
262.69803	1.5
263.20044	16.2
265.08514	1.7
273.18524	39.9
291.10086	4.5
291.19531	67.5
296.96378	1.5
309.11163	4.0
309.20544	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	309.2063
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.79813	0.7
52.79258	0.9
53.03942	1.3
55.01870	5.0
55.05516	4.3
56.96574	0.8
57.03441	31.1
57.07061	2.3
61.52989	0.7
65.03938	2.3
67.05513	26.9
69.03431	1.9
69.07063	3.9
70.46976	1.0
70.75959	0.8
70.76289	1.6
71.04985	2.7
71.08645	1.1
79.05495	12.9
79.44732	0.7
81.03432	1.4
81.07065	12.8
83.04993	1.8
83.08628	3.4
85.06551	32.1
91.05490	11.2
93.07052	9.9
95.04979	40.4
95.08181	0.7
95.08630	8.3
97.06522	1.8
97.10146	1.2
98.97575	3.1
105.07019	8.3
107.04980	3.8
107.08593	9.4
109.06530	38.5
109.10137	3.1
111.08086	1.2
112.99110	0.8
113.06013	100.0
117.07015	5.3
119.08611	5.7
121.10147	2.6
123.08058	1.1
123.11698	0.8
129.06981	3.1
131.08571	7.5
133.06470	1.8
133.10124	2.8
135.08064	32.2
135.11702	2.4
137.09607	0.8
143.08568	4.0
145.06563	1.0
145.10143	5.1
147.04381	3.2
147.08020	2.4
147.11679	1.5
149.09622	3.3
149.13237	1.5
157.10147	4.3
159.08087	1.7
159.11676	4.0
161.09639	4.6
163.03882	4.6
163.11182	1.2
165.09140	0.8
166.27441	0.8
171.11699	2.2
173.13260	1.3
175.11194	1.4
177.05463	0.9
177.12773	1.8
183.11633	1.3
185.13356	1.1
195.13779	1.1
199.14793	2.8
201.12694	2.0
217.15907	12.0
219.13692	1.2
227.17894	1.7
244.99567	1.0
245.19012	1.4
255.17535	1.9
273.18475	16.0
291.10297	1.0
291.19562	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	309.2061
Annotation	Albocycline
Peak:m/z	Relative Intensity
53.03939	2.0
55.01864	2.6
55.05518	20.2
57.03454	1.3
57.66617	0.6
62.31693	0.6
65.03942	0.8
67.05137	0.7
67.05507	10.9
69.03429	3.3
69.06736	0.7
69.07079	8.3
69.39127	2.9
69.39543	1.9
71.04979	0.7
79.05498	11.2
81.03408	2.0
81.07063	11.7
83.04992	3.4
83.08622	9.1
85.02871	0.7
91.05484	8.2
93.07055	9.5
95.04987	4.1
95.05488	0.7
95.08622	6.4
97.02885	1.8
97.06531	1.1
97.10176	16.3
101.67699	0.7
105.07041	6.2
107.04959	1.8
107.08601	8.1
109.06514	1.5
109.10145	2.4
111.04441	1.1
111.08080	1.0
117.03328	0.9
117.07014	2.9
119.04944	1.0
119.08579	5.5
121.06492	1.4
121.10148	3.1
123.08096	4.4
125.09641	12.3
128.06253	0.7
129.07004	1.5
131.08560	4.1
133.06477	2.1
133.10132	2.6
135.08083	1.9
137.09612	1.6
143.08575	1.9
145.02879	0.9
145.10089	2.7
147.04498	0.9
147.08084	2.7
147.11688	2.0
149.09639	1.4
149.13097	0.9
150.50241	0.8
157.10146	1.5
159.11659	1.4
163.03941	4.6
163.11191	1.5
165.09120	2.1
171.10234	1.0
174.38603	0.7
175.11255	1.0
177.12840	0.9
180.53221	0.7
185.13281	0.7
189.11266	7.1
205.12227	0.9
221.11821	0.8
223.13332	3.9
249.14746	1.1
255.17441	1.1
263.20099	0.9
265.03867	0.6
273.18491	9.1
291.19553	100.0
292.20129	0.8
309.20679	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03951	10.4
55.01866	12.5
55.05503	18.3
56.08766	4.4
57.03438	23.6
57.07085	5.5
65.03940	7.2
67.05512	75.0
69.03452	5.5
69.07066	15.8
70.67665	3.9
71.04976	4.6
79.05499	44.5
81.03416	12.8
81.07072	56.0
83.04995	18.3
83.08632	11.3
85.02900	7.6
85.06562	14.6
91.05492	38.5
92.01566	4.7
92.44993	5.2
93.07053	44.0
95.04975	100.0
95.08604	31.8
97.06535	11.4
97.10155	6.1
98.56044	4.6
100.19433	4.0
102.19273	4.4
105.07047	27.3
107.04961	18.0
107.08604	25.0
109.06526	74.1
109.10151	13.3
111.04446	21.0
111.08090	10.7
113.06012	25.9
117.03372	8.8
117.07021	19.0
119.04929	6.6
119.08618	20.5
121.06499	8.1
121.10164	15.4
122.34383	4.0
123.08080	9.9
129.07031	7.1
131.08606	25.1
133.06474	4.9
133.10130	15.5
135.04436	12.5
135.08070	63.8
135.11705	15.7
142.07721	5.3
143.08604	14.3
145.02815	10.4
145.10133	19.2
147.04411	31.2
147.08067	7.7
149.09633	9.7
149.13229	4.9
157.10103	7.6
159.11717	14.9
161.09648	5.7
163.03923	71.9
169.10097	7.4
175.11096	4.8
177.05530	11.4
185.13292	10.0
187.11230	4.6
199.14735	5.4
203.08679	5.9
217.15912	15.7
227.17845	5.2
231.08229	5.7
234.06898	4.8
237.30614	4.4
249.23065	5.9
273.18478	40.3
281.11755	11.2
291.10245	16.9
291.19543	74.7
294.08755	5.0
309.07693	8.9
309.11221	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	309.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.1
51.93738	0.9
53.03934	3.9
53.53405	1.1
55.01862	4.4
55.05513	15.0
57.03441	10.1
57.07061	3.5
57.16361	0.9
57.50277	1.0
59.05001	2.6
65.03936	1.6
67.05508	24.6
69.03435	7.7
69.07071	17.8
70.87032	1.9
71.01311	1.1
71.04995	6.5
79.05496	26.7
81.03423	10.0
81.07058	46.3
83.04987	5.4
83.08631	12.4
85.02917	7.4
85.06545	8.1
87.26849	1.1
89.03898	2.4
91.05485	28.1
93.06486	1.8
93.07049	29.0
95.04977	10.0
95.08610	30.0
97.02893	3.2
97.06538	22.5
97.10171	9.0
99.08082	9.5
105.07025	15.4
106.69637	1.0
107.04951	6.6
107.08590	19.6
109.02876	2.4
109.06525	10.9
109.10154	17.3
111.04422	1.5
111.08065	3.3
111.11716	2.8
113.06016	5.3
115.05479	1.1
117.03368	4.5
117.07025	6.2
119.04125	1.7
119.04952	25.0
119.08592	9.6
121.06509	9.5
121.10138	13.2
123.04458	1.1
123.08076	7.4
123.11724	9.6
125.05982	1.4
125.09630	5.8
127.03931	2.1
127.07540	3.8
127.11153	1.2
128.06209	1.1
129.07024	3.9
131.08549	8.4
133.06496	2.0
133.10120	8.7
135.04436	7.7
135.08058	9.7
135.11700	7.1
137.05998	2.5
137.09581	3.0
137.13223	2.8
141.06937	1.1
143.08527	4.2
145.02847	9.7
145.06497	2.3
145.10129	7.1
147.04414	100.0
147.08008	3.1
147.11684	5.0
149.06087	1.3
149.09605	3.3
149.13260	9.1
151.07513	4.1
151.11183	2.3
155.08565	1.6
157.10115	4.1
159.04309	1.1
159.08070	1.7
159.11690	5.2
161.09621	4.0
161.13249	2.2
163.03923	38.0
163.11159	3.0
163.14816	2.8
165.05487	4.0
165.06783	1.2
165.08990	1.0
167.14278	1.2
169.10132	1.6
171.11697	3.0
173.09596	1.1
173.13211	2.4
175.11250	1.3
177.05496	8.0
177.12758	2.4
177.16341	1.4
183.11757	1.3
185.13310	1.7
187.11281	1.5
189.06909	1.1
189.11197	4.3
189.16292	1.4
195.13791	3.5
197.05974	1.3
199.14801	1.8
201.12735	1.9
202.07822	1.5
203.08626	2.8
205.12119	1.3
217.15895	6.7
219.13759	1.7
221.15407	1.6
223.13344	3.4
225.09023	1.5
231.08075	3.0
232.08827	1.2
233.09547	1.1
233.15480	1.5
234.06703	2.0
235.07611	2.7
237.09009	1.4
240.07695	1.4
247.07533	1.9
247.11243	1.5
248.08353	3.6
249.08923	2.5
249.25887	1.1
253.08623	1.6
255.06413	1.7
255.17207	2.3
260.08313	2.0
263.10675	10.0
263.19992	1.2
264.10837	2.1
265.08725	1.6
273.18491	15.1
273.25592	1.2
277.08585	4.8
277.11890	2.0
278.09851	2.1
278.12967	11.5
279.10126	3.0
281.11749	2.4
291.09982	9.6
291.16440	1.3
291.19568	27.2
291.26770	4.4
294.08643	2.4
294.12350	1.8
309.10999	18.4
309.14798	17.0
309.20447	8.4
309.27847	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	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03937	7.4
55.01864	4.1
55.05514	17.5
57.03422	5.1
57.07080	3.0
65.03938	4.4
67.05186	2.6
67.05508	34.2
69.03412	2.8
69.07063	19.9
70.17879	9.3
71.04985	5.6
73.38538	2.6
73.86850	2.2
76.95187	2.0
78.52862	2.1
79.05494	39.5
81.07061	50.0
83.04990	4.1
83.08593	7.8
89.03954	2.5
91.05477	46.8
93.07044	79.9
95.04970	58.9
95.08602	47.0
97.06538	23.3
97.10162	2.8
103.05452	4.5
105.04503	3.3
105.07035	88.3
107.04929	3.2
107.08601	43.7
109.06525	11.6
109.10143	26.4
115.05479	5.0
116.06194	2.6
117.07018	17.2
119.08579	71.7
121.06496	10.0
121.10143	100.0
121.85657	2.3
123.08059	16.6
123.11711	7.4
128.06184	8.0
129.07016	15.6
130.07777	8.7
131.08565	42.1
133.06506	4.0
133.07521	3.1
133.10135	42.2
135.08044	8.1
135.11688	13.3
141.07013	6.7
142.07773	13.7
143.08565	31.9
144.09332	10.2
145.06569	2.5
145.10120	57.4
147.04385	4.2
147.08063	4.5
147.11711	15.8
149.09669	4.3
149.13237	4.1
154.07744	4.4
155.08528	9.0
156.09360	10.2
157.08960	3.4
157.10144	39.3
158.10870	6.1
159.11697	39.2
161.09592	7.3
161.13261	8.8
163.03882	14.5
167.08565	3.8
169.10153	19.6
170.10872	6.8
171.11665	25.6
172.12396	2.7
173.09644	6.2
173.13260	20.4
175.11194	3.4
175.14790	8.0
177.05370	2.3
179.08563	5.1
180.09308	2.5
181.10098	8.2
182.10983	5.0
183.11682	18.8
185.13255	16.6
187.11201	14.9
187.14790	21.8
189.12726	5.0
189.16385	2.8
193.10118	5.9
194.10951	4.3
195.11717	6.6
196.12498	2.7
197.13306	11.3
199.11002	2.6
199.14818	8.6
201.12738	2.5
206.10892	3.0
207.07864	2.0
207.11723	5.3
209.13228	11.2
211.14882	11.7
213.12962	2.9
213.16344	5.4
217.15852	2.3
220.12364	2.6
221.13206	6.6
221.83109	2.2
223.14792	6.4
225.16350	6.2
235.14752	7.3
239.14647	2.7
239.17915	6.0
249.16409	2.2
253.15901	7.7
265.19437	3.5
279.21310	2.5
281.22711	8.8
291.21072	13.0
309.22116	79.2
323.31299	2.3
333.75235	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.2
55.01878	4.1
55.05514	16.0
57.03426	7.1
57.07083	2.8
62.18278	2.1
67.05514	32.0
69.03442	3.0
69.07063	18.7
71.04991	5.4
71.16908	6.0
79.05496	35.0
81.03413	3.8
81.07061	40.6
83.04980	7.6
85.02891	5.5
86.06042	2.1
87.41771	2.2
91.05488	40.7
93.06490	4.8
93.07056	81.8
95.04984	58.4
95.08616	40.9
97.06539	21.4
100.02513	4.3
103.05473	5.3
105.07044	80.5
107.04957	4.5
107.08605	36.2
109.06533	14.0
109.10161	24.9
115.05412	3.8
117.07029	14.4
119.04907	3.5
119.08588	67.6
121.06520	8.7
121.10158	100.0
123.08070	7.0
123.11728	4.8
128.06241	7.9
129.07002	12.3
130.07787	6.5
131.08592	35.7
133.06514	4.7
133.10149	40.3
135.04457	5.1
135.08070	5.3
135.11731	13.5
141.06993	5.8
142.07790	14.7
143.08559	29.4
144.09314	4.7
145.02861	3.3
145.06450	3.4
145.10130	46.8
147.04436	11.6
147.08061	7.4
147.11732	12.2
149.09653	5.8
153.06990	3.8
154.07843	3.6
155.08575	11.0
156.09366	10.9
157.10149	31.6
159.08112	3.1
159.11716	35.5
161.09686	6.5
161.13271	4.3
163.03943	28.8
167.08612	5.8
168.09325	2.4
169.10149	13.2
170.10918	7.0
171.11708	18.2
173.13310	21.0
175.11194	2.9
175.14835	11.7
179.08598	3.5
181.10129	6.9
183.11763	11.8
184.12503	4.6
185.13324	13.3
187.11267	12.1
187.14845	23.3
189.12711	4.4
195.11682	6.1
196.12439	2.8
197.13217	12.1
199.11375	2.8
199.14870	9.4
201.12746	4.2
201.16490	3.4
206.10985	2.6
207.11734	5.4
209.13277	8.4
211.14772	5.4
213.16420	5.1
221.13284	3.1
223.14883	3.2
225.12843	2.3
225.16376	6.3
225.64597	3.3
231.08057	3.2
235.14867	9.2
239.14136	2.9
244.67308	2.6
245.17497	3.1
249.08975	2.6
249.16283	3.7
253.15851	2.7
253.67741	14.2
254.17928	7.3
262.68277	3.1
263.17938	3.2
265.18942	7.5
274.19031	7.7
274.68909	3.7
281.22714	2.7
291.10120	5.5
291.21133	8.3
309.11166	10.0
309.14618	5.0
309.22137	62.2
309.25497	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	311.1127
Annotation	trans-Cinnamoyl beta-D-glucoside
Peak:m/z	Relative Intensity
53.03947	2.2
55.01868	2.6
57.03417	2.0
61.02921	3.8
69.03445	6.2
69.07075	1.1
70.06577	3.6
71.04989	1.3
71.11834	2.4
72.08152	1.8
79.05502	2.4
81.03409	2.6
81.07040	1.2
83.04988	1.5
84.04523	1.2
84.08138	3.2
85.02914	25.9
87.04463	1.6
91.03956	1.1
91.05474	3.7
93.07027	2.4
94.04168	1.6
95.04967	1.6
95.08576	1.4
97.02909	6.1
97.06514	1.4
99.04482	1.6
103.05473	67.9
105.07040	1.4
107.04953	2.8
109.02845	2.8
109.06531	1.2
110.06023	2.6
112.11209	1.5
119.04959	1.5
121.06485	2.9
122.03625	1.4
123.04427	3.1
127.03915	2.2
131.04938	100.0
137.05984	28.3
141.01880	1.5
145.04936	3.4
147.04414	3.3
148.04805	1.6
149.05994	100.0
151.03908	1.2
161.05972	1.6
163.03946	1.5
164.07095	3.2
168.51944	1.1
172.05177	2.3
187.07503	7.0
190.07674	1.6
191.08600	2.4
207.08182	1.1
213.05435	1.6
218.07312	1.5
219.08115	2.9
222.03137	1.0
227.06998	1.2
236.08391	1.9
238.08710	1.0
240.07805	1.0
247.07506	3.5
251.10623	2.7
264.07846	1.3
270.08966	1.5
279.10202	7.1
281.07877	1.4
283.09641	2.7
285.98672	1.1
288.00397	1.3
293.10233	1.4
296.10431	2.8
311.09662	1.4
311.12854	16.0
311.16165	2.6
311.66153	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.128
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03956	0.8
55.01869	0.9
55.05529	0.4
67.05503	1.2
67.16598	0.4
69.07061	1.0
69.39669	3.2
69.73803	0.5
79.05510	2.6
81.07067	4.8
83.08617	0.9
85.06563	0.5
87.39146	0.6
89.03983	0.4
91.05486	2.7
93.07050	0.7
93.47208	0.4
94.04202	3.2
95.04965	2.0
95.08614	1.9
97.06556	0.7
99.20123	0.4
107.04982	1.1
109.06528	5.4
109.10175	0.9
115.05442	0.7
117.86528	0.4
122.03666	7.6
123.04425	1.4
131.08560	0.8
137.05991	89.1
137.13243	0.5
142.30896	0.4
144.05704	3.5
145.06439	0.6
146.03470	0.5
149.05972	2.0
149.13293	0.6
151.80801	0.4
155.04948	1.1
157.06598	0.5
159.08098	1.4
161.05957	0.8
165.07019	1.0
172.05188	5.4
173.06007	0.9
178.07785	0.9
179.08580	0.8
180.09367	0.7
187.07561	30.7
188.08365	5.3
189.06973	2.1
190.07791	6.2
191.08569	15.5
193.06528	0.5
202.07857	1.0
203.08601	0.7
205.06506	1.2
205.10118	0.6
207.08122	2.3
208.08849	9.3
209.09659	0.9
211.07582	0.8
215.11310	0.5
218.07315	5.4
219.08078	37.5
220.08792	2.7
221.05984	5.1
221.09547	0.9
222.10391	0.5
223.11172	0.8
225.09053	2.5
227.07144	0.6
229.07645	0.8
231.07932	0.4
233.09666	6.8
235.07559	5.2
236.08334	14.9
237.09045	3.2
238.06230	0.8
240.07884	1.1
246.06879	1.1
247.07571	28.1
248.08353	5.3
249.05513	3.1
249.09160	1.3
250.06313	1.1
250.09883	0.6
251.10692	31.9
253.08611	10.9
253.12411	0.5
255.06628	0.6
261.09158	9.1
262.09909	1.6
263.07104	2.4
263.09647	0.4
264.07813	13.5
265.08551	4.1
266.05771	1.1
268.07382	1.6
268.11017	1.5
270.08917	1.3
278.09293	2.5
279.10187	65.3
280.10858	5.9
281.08105	10.3
281.10962	0.7
283.09683	4.8
293.08496	0.8
293.11627	4.2
295.09726	1.0
296.07037	0.8
296.10434	19.6
311.12796	100.0
312.13147	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	311.1277
Annotation	Porphine
Peak:m/z	Relative Intensity
55.01868	1.1
55.05503	0.6
57.94242	0.5
58.86003	0.5
65.03941	0.7
67.05505	0.6
69.03448	0.8
70.64899	1.6
73.09422	0.5
79.05491	3.9
79.96619	0.5
81.07050	2.3
91.05482	4.7
93.07043	1.8
94.04192	3.8
94.67150	0.5
103.05451	1.4
105.07040	7.7
107.04956	2.2
107.08611	0.7
109.06525	5.2
112.57603	0.5
115.05434	2.5
116.06238	1.3
119.08575	0.7
121.06474	1.7
121.10170	2.2
122.03659	10.9
127.05460	1.3
128.06241	2.2
129.07005	4.2
131.04932	1.9
131.08553	1.4
132.05676	0.7
133.02850	0.6
133.06512	5.2
135.04446	0.7
137.05981	100.0
141.06978	0.7
144.05681	3.5
145.06459	0.9
146.03580	0.6
147.08064	0.8
149.05984	5.5
151.07571	1.3
155.04950	7.4
155.06110	0.9
156.05728	1.1
159.08076	8.8
160.05162	0.7
161.05977	14.5
163.03958	0.6
163.05333	0.6
163.07495	1.1
165.06978	2.8
167.07013	1.4
170.87576	0.5
172.05211	3.4
175.07596	3.5
178.07953	0.6
179.08569	1.7
180.09329	1.0
185.05893	0.6
186.16391	0.5
187.07542	31.0
189.07007	4.9
189.08859	1.2
190.06425	0.5
190.07770	23.5
191.08553	49.2
192.09140	0.8
193.06505	1.1
194.07356	0.6
195.07980	0.8
201.07010	1.8
202.07809	2.4
203.08609	1.4
205.06448	3.4
205.10204	1.1
207.08051	6.1
208.08821	7.0
209.09598	0.8
217.06461	0.9
218.05176	0.9
218.07263	15.4
219.08054	66.2
220.08842	7.4
221.05956	2.5
223.11267	1.0
225.09050	1.5
229.07701	2.7
231.08095	0.7
233.09630	2.3
235.07529	7.9
236.08331	14.7
237.09059	2.6
239.10471	0.6
246.06732	1.9
247.07549	28.7
248.08315	3.8
249.05406	0.9
249.08997	1.5
250.06282	0.6
250.09944	1.3
251.10680	92.8
252.10985	1.4
253.08603	6.2
261.09161	4.6
263.07010	2.3
264.07846	9.5
265.08688	3.1
266.05585	0.5
267.10147	1.2
268.07407	0.5
268.10968	1.9
278.09283	0.9
279.10172	77.7
280.10883	5.0
281.08127	9.0
283.09949	0.8
283.13318	2.0
295.09732	1.4
296.10397	9.8
309.11230	1.2
311.12781	81.6
312.13055	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	311.1278
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03938	2.4
55.01878	1.7
56.61234	0.9
56.94979	1.0
60.34731	0.9
66.16306	0.8
67.05480	1.1
69.03424	4.2
69.03764	1.0
71.52749	1.0
79.05501	9.8
79.70602	0.9
81.03408	3.9
81.07048	3.4
85.02886	1.7
85.19976	0.8
91.05495	8.0
92.15292	0.8
93.07041	13.2
94.04175	3.2
95.04951	2.4
95.08593	1.2
103.05476	2.3
105.07034	8.4
107.04952	3.2
107.08572	3.8
109.02876	1.5
109.06509	6.0
115.05444	2.1
116.06240	1.4
117.07047	1.2
119.08553	2.9
121.06506	2.5
121.10149	18.2
122.03653	10.1
125.81760	0.9
128.06224	2.7
129.06995	4.0
131.04922	3.4
131.08560	2.5
133.06473	5.3
137.05981	100.0
141.07048	1.1
144.05669	4.9
147.04417	1.3
149.06006	7.6
149.09615	9.3
151.07553	2.0
155.04901	7.9
155.06044	1.4
159.08052	7.7
161.06001	14.6
163.03943	1.3
163.07524	1.4
165.07042	2.9
167.07001	1.7
167.10667	1.5
172.05205	3.7
175.07574	4.9
179.08496	1.3
180.09380	1.8
187.07541	31.0
188.08389	0.9
189.07027	5.3
189.09190	1.3
190.07774	21.9
191.08554	53.5
193.06474	1.1
201.06950	1.2
202.07837	1.3
203.08592	1.8
205.06532	2.8
207.08107	4.6
208.08836	7.2
211.07423	1.0
217.06491	2.1
218.07280	13.9
219.08052	67.3
220.08788	7.5
221.05986	2.4
223.11168	1.2
225.08974	1.0
229.07639	2.0
233.09711	2.5
235.07538	8.3
236.08339	14.9
237.09116	2.1
240.67140	1.0
246.06833	1.8
247.07549	25.5
248.08324	3.6
249.05617	0.9
249.09117	1.6
250.07454	1.0
250.09897	1.0
251.10678	92.6
253.06206	2.0
253.08609	7.7
261.09106	3.6
263.07013	2.3
264.07764	9.0
265.08609	2.8
265.12436	0.9
267.10120	1.0
268.07364	1.2
268.11020	1.5
276.51886	0.9
278.06659	1.1
278.09509	1.5
279.10162	81.3
280.10980	6.0
281.08026	9.5
283.13297	1.9
293.14169	1.6
295.09375	1.1
296.10458	10.3
311.12772	90.5
312.12875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphyrin
Peak:m/z	Relative Intensity
53.03934	0.3
57.61370	0.3
66.04726	0.4
69.99579	0.2
71.25421	0.3
71.25768	0.4
74.88468	0.2
79.05487	1.8
81.07055	1.8
83.84695	0.3
91.05485	2.2
93.07034	0.5
93.84173	0.2
94.04188	3.3
95.04981	0.7
103.05412	0.3
105.07016	0.3
106.95607	0.3
107.04937	1.1
108.55874	0.3
109.02912	0.3
109.06522	3.1
117.03352	0.2
118.94094	0.3
121.10135	0.5
122.03651	8.9
123.04387	0.5
131.04993	0.3
137.05981	100.0
138.06334	0.6
144.05711	4.1
146.03601	0.3
147.61334	0.3
149.05040	0.3
149.06007	2.4
155.04971	0.6
159.08092	0.5
161.05995	0.5
165.06979	0.4
172.05208	6.2
173.06097	0.3
173.70392	0.3
175.07481	0.3
187.07547	27.7
188.08316	1.5
189.07011	0.6
190.07762	2.4
191.08540	5.3
195.32645	0.3
202.07925	0.4
207.08086	1.0
208.08807	2.3
211.07626	0.5
217.56268	0.3
218.07301	2.3
219.08060	12.2
220.08815	1.1
221.05975	1.1
221.09668	0.4
225.05490	0.6
227.07071	1.0
229.07690	0.4
231.08119	0.3
233.09674	1.6
235.07533	1.6
236.08336	3.7
237.09100	0.8
240.07816	3.4
246.06865	0.3
247.07544	8.3
248.08327	1.5
249.05577	0.8
249.09059	0.4
250.06139	0.4
251.10689	8.4
253.08661	1.8
255.06581	2.0
261.09100	2.4
263.07104	0.7
264.07797	4.3
265.08621	1.5
268.07309	4.6
270.08887	3.7
278.09314	0.4
279.10172	18.5
280.10938	2.0
281.08078	2.8
283.09644	14.5
293.11649	1.1
295.09500	0.3
296.10437	4.5
311.12778	34.3
312.13083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1279
Annotation	Porphine
Peak:m/z	Relative Intensity
50.52987	0.5
51.02399	0.6
53.03963	1.3
55.01878	0.8
55.05515	0.7
64.13190	0.5
69.03432	1.6
70.85568	1.8
77.03929	0.6
79.05500	6.6
81.03419	1.5
81.07068	3.0
85.02914	1.4
89.03938	0.8
91.05492	4.8
93.07048	10.7
94.04173	2.9
95.05003	1.2
95.08592	1.1
97.02885	0.8
103.05472	1.9
105.03420	0.5
105.07055	7.1
107.04964	2.5
107.08605	3.0
109.02892	1.3
109.06518	5.0
115.05468	2.3
116.06242	0.7
119.08613	1.3
121.06528	1.9
121.10146	9.2
122.03662	9.3
123.04434	0.9
123.08128	0.9
127.03917	0.6
128.06248	2.4
128.50871	0.6
129.07027	5.3
131.04936	2.4
131.08563	1.9
133.06523	4.2
135.04453	0.9
137.05989	91.9
138.06262	0.7
141.07043	0.9
144.05688	2.5
145.06583	0.7
146.03595	1.0
147.04413	1.4
147.08041	0.9
149.05975	5.7
149.09651	2.6
151.07596	1.4
155.04932	7.7
155.06071	1.1
156.05620	0.7
159.08067	7.1
161.06004	11.8
163.03891	1.5
165.06993	3.7
167.07014	1.2
167.10722	0.9
172.05205	2.6
175.07503	3.2
179.08577	1.8
180.09363	1.6
187.07570	27.4
188.08342	0.8
189.06990	5.0
189.08722	0.9
190.07787	21.4
190.09528	1.1
191.08566	44.6
192.09093	0.9
193.06598	0.6
193.10175	0.6
195.08110	0.8
201.07021	1.3
202.07770	2.1
203.08615	1.3
205.06537	2.6
205.10245	0.8
207.08096	5.4
208.08907	5.3
211.07477	0.6
217.06436	1.4
218.07281	13.0
219.08070	61.1
220.08824	5.2
221.06038	2.2
221.09633	1.0
223.07544	0.7
223.11092	0.9
225.09109	1.2
229.07596	1.8
231.08015	1.1
231.67099	0.6
233.09726	1.8
235.07571	8.6
236.08351	14.4
237.09128	2.8
246.06818	2.3
247.07574	26.3
248.08318	3.2
249.05557	1.4
249.09210	1.2
250.09952	1.6
251.10695	85.2
253.08609	7.8
261.09082	3.4
263.07126	1.9
264.07822	10.2
265.08572	4.8
267.10120	1.0
268.11014	2.2
278.09308	0.7
279.10190	77.3
280.10992	4.6
281.08078	10.3
283.09824	1.0
283.13205	1.4
293.11667	0.9
295.09790	1.1
296.10452	15.1
309.11383	0.9
311.12781	100.0
312.13159	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphine
Peak:m/z	Relative Intensity
50.37991	0.7
53.03933	1.9
55.01852	0.8
55.05502	0.7
57.03422	1.1
61.49853	0.9
67.05489	1.5
69.03416	4.3
69.69775	1.8
69.70190	1.4
79.05489	8.4
81.03428	3.5
81.07053	3.5
85.02890	4.0
91.05479	9.0
93.06479	1.2
93.07045	16.8
94.04178	4.7
95.04953	1.4
95.08607	1.6
97.02882	1.4
99.04444	0.8
102.00566	0.7
103.05465	1.9
105.07036	8.7
106.07869	0.7
107.04966	1.6
107.08601	7.2
109.02884	1.5
109.06528	5.3
115.05456	3.1
116.06238	1.1
117.03378	1.1
119.08572	2.8
121.06506	2.1
121.10143	14.9
122.03664	7.4
123.04427	1.1
127.03895	0.7
128.06242	0.9
129.06989	4.8
131.04938	1.6
131.08557	2.5
133.06487	4.8
133.10097	0.9
135.11755	0.9
137.05977	95.1
144.05685	3.9
145.06487	1.2
146.03654	1.0
149.05992	4.8
149.09602	6.1
149.13245	0.7
151.07573	1.2
153.07022	0.9
155.04929	7.7
156.05745	1.4
159.08070	6.6
161.05984	11.6
161.13277	0.9
165.05701	0.6
165.07028	2.9
167.07030	1.1
167.10626	1.8
171.04407	1.1
172.05193	2.0
173.13303	0.7
175.07558	4.3
175.08807	0.8
175.82272	0.6
177.07069	0.8
178.07753	1.4
179.08560	1.5
180.09312	0.9
187.07541	27.3
189.07007	4.7
189.09212	0.8
190.07779	19.7
191.08556	48.7
194.07285	0.9
195.07979	0.9
201.07011	2.0
202.07791	2.0
203.08565	1.3
205.06496	3.2
205.10164	1.0
207.08105	5.8
208.08824	5.7
217.06500	1.3
218.07253	13.2
219.08046	62.5
220.08797	5.7
221.05948	2.1
223.11133	0.8
225.09052	1.3
229.07590	1.8
231.07906	0.8
233.09612	2.5
235.07544	8.4
236.08318	15.2
237.09114	2.3
246.06720	1.7
247.07552	26.4
248.08215	3.2
249.05470	1.8
249.09158	1.4
250.06294	0.9
250.09682	1.3
251.10669	85.0
252.07843	0.7
252.11028	1.3
253.08583	8.2
261.09097	2.8
263.06979	2.1
264.07794	11.0
265.08591	3.8
267.10239	1.9
268.10959	1.3
277.08652	1.1
279.10153	76.2
280.10883	5.0
281.08099	12.4
283.13293	1.9
295.09500	1.6
296.10449	13.5
309.11237	1.1
311.12747	100.0
311.34552	0.7
312.13104	2.0
333.35980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59590	0.8
53.03937	5.3
53.16586	0.8
55.01855	1.8
55.05507	4.7
57.03442	4.9
58.69571	0.8
61.02914	1.2
62.86432	0.8
67.05501	2.3
69.03429	20.6
71.04974	1.6
71.52425	1.4
75.04488	1.5
77.03859	0.9
77.13669	0.8
79.03735	0.8
79.05490	30.7
79.88421	0.7
81.03418	21.1
81.07059	5.7
85.02395	0.6
85.02904	15.7
87.04461	1.0
91.05479	22.9
93.07043	100.0
95.04975	3.9
95.08603	3.7
97.02898	5.9
99.04444	3.8
103.05456	1.7
105.04545	1.9
105.07032	13.5
106.07803	1.0
107.08593	22.3
107.43681	0.9
108.78398	0.8
109.02876	8.5
109.06503	1.6
111.08092	2.2
115.05422	1.0
116.06250	1.5
117.07024	1.0
119.08586	10.9
121.06558	4.0
121.10144	83.7
122.03650	1.2
123.08031	2.0
123.11782	0.9
125.06010	1.0
127.03895	5.8
129.06973	1.2
131.08562	11.4
133.06532	0.9
133.07607	1.7
133.10103	2.7
137.05969	10.0
139.11189	1.8
145.04996	1.5
147.19293	0.9
149.02364	2.8
149.09619	35.7
159.11659	1.3
161.06012	1.6
167.10686	7.5
173.09627	1.3
175.11118	1.1
187.07596	4.1
190.07816	2.0
191.08603	2.5
218.07285	1.0
219.08095	5.0
221.05954	1.0
236.08183	1.2
247.07501	2.8
247.13240	1.5
251.10654	5.6
254.39687	0.8
264.07947	1.1
268.68549	0.9
279.10205	7.5
280.11121	1.1
293.13773	6.3
296.10577	1.8
311.12274	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	311.1491
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
51.02382	1.0
53.03956	6.4
55.01866	1.3
55.05505	4.2
57.03444	4.9
58.55668	0.9
61.02925	1.3
67.05508	1.1
68.33668	0.9
69.03437	26.1
69.32272	7.1
70.28101	0.8
71.04997	1.7
73.02914	1.9
74.03239	1.0
75.04469	1.4
77.03910	1.0
79.05505	28.0
81.03429	25.8
81.07066	5.1
85.02910	15.3
87.04461	1.0
91.05490	23.7
93.07053	93.1
95.04974	3.9
95.08607	2.9
97.02911	7.0
99.04459	4.6
103.05461	1.5
105.04517	1.3
105.07046	19.1
107.04977	1.7
107.08604	16.9
109.02892	14.6
109.06553	2.4
111.08113	2.1
116.06226	1.3
119.08598	10.4
121.06517	3.4
121.10158	100.0
122.10418	1.1
123.08072	2.7
123.11700	1.4
127.03912	5.6
131.08591	11.0
133.07631	1.9
133.10133	2.7
137.05974	3.8
139.11189	2.7
149.02350	1.1
149.09637	40.8
152.84401	1.0
167.10724	6.4
219.08063	0.9
251.10608	2.1
279.10181	1.8
293.13861	17.0
311.15469	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	311.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01865	2.2
55.05512	4.4
57.03440	4.9
57.07065	0.8
61.02909	1.3
61.93707	0.8
64.40353	0.7
67.05504	3.3
69.03436	20.9
69.07082	1.1
71.01372	0.8
71.05000	1.7
74.98310	0.7
75.04480	1.7
77.03956	1.0
79.05499	28.3
81.03426	13.7
81.07058	5.7
83.04984	2.3
83.08621	1.4
85.02912	19.3
91.05489	21.1
93.07048	100.0
94.54556	0.7
95.04962	5.6
95.08598	3.7
97.02888	5.7
97.06538	2.9
97.10163	0.7
99.04461	2.0
103.05492	1.0
105.04523	1.2
105.07034	12.0
107.04963	0.9
107.08598	19.5
109.02888	5.4
109.06526	1.4
111.04443	1.5
111.08100	2.8
116.06235	1.6
117.07036	2.1
119.08585	13.8
121.06519	3.3
121.10150	84.3
123.08072	1.3
123.11668	1.2
125.06000	1.4
125.09653	2.1
127.03952	4.1
128.06271	1.0
129.07011	2.4
131.08586	13.3
132.70712	0.7
133.10136	5.4
135.11681	0.9
137.05968	3.6
139.11180	1.6
141.06956	1.1
143.08635	1.4
145.04988	1.2
145.10124	2.0
147.08147	0.8
147.11592	0.9
149.09625	33.6
157.10130	1.2
159.11682	1.2
161.09589	1.5
163.11241	2.4
167.10683	10.4
173.09685	1.7
175.11185	1.4
187.11098	0.9
189.09053	0.9
215.10672	1.6
219.07980	1.4
224.68484	1.0
246.23691	0.7
247.07553	1.5
247.13293	1.1
251.10605	1.0
257.11612	1.0
265.14468	1.7
267.68451	0.8
275.20102	1.7
279.10205	2.4
283.15509	2.2
293.13730	5.0
293.21048	1.8
311.12534	3.2
311.15646	5.6
330.99765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.6
52.11737	0.9
53.03948	6.6
54.99671	1.0
55.01863	2.6
55.05518	9.4
57.03447	4.6
57.07063	2.1
59.04998	1.0
61.02923	1.2
61.70193	0.8
63.89835	0.7
64.84804	0.8
65.03936	1.5
67.05514	6.5
69.03436	26.6
69.07073	15.1
71.01331	1.4
71.04977	2.7
71.08624	1.1
71.52787	0.9
73.02911	1.2
75.04459	1.7
77.03932	1.1
79.05503	33.2
81.03428	24.0
81.07056	17.6
83.04987	2.0
83.08622	5.9
85.02915	14.3
85.06529	3.8
87.04474	1.5
91.05490	22.2
93.07053	100.0
94.04166	1.6
95.04984	5.9
95.08083	1.3
95.08619	14.8
97.02908	6.8
97.06017	1.2
97.06541	13.1
97.10147	2.9
99.04474	5.5
99.08089	1.9
103.05477	2.1
105.04490	2.4
105.07034	15.5
107.04936	3.0
107.08605	24.2
109.02879	11.6
109.06493	2.9
109.07211	0.8
109.10175	6.0
111.08063	3.1
111.11694	3.0
115.05492	1.0
116.06243	1.6
117.06989	2.8
119.07835	1.5
119.08598	20.5
121.06546	4.3
121.10155	96.4
122.03626	3.7
123.08081	2.3
123.11699	4.4
125.09600	0.9
127.03925	8.3
128.06229	1.5
129.06993	3.3
131.04893	0.9
131.08582	13.1
133.06503	1.1
133.07556	1.5
133.10136	4.4
135.04395	3.7
135.08073	1.0
135.11656	2.5
137.05994	40.2
137.13191	1.1
139.11189	1.6
141.06985	1.1
143.08516	1.9
145.04909	2.0
145.06506	1.1
145.10094	3.3
147.08058	1.3
148.11192	1.0
149.05962	3.2
149.09633	38.3
149.11462	2.1
149.13202	1.4
151.14830	1.0
153.12720	1.2
155.04874	1.0
155.08543	1.1
157.06436	1.6
157.10089	2.3
159.08025	2.0
159.11653	1.3
161.05980	1.9
161.09653	1.1
163.11153	2.4
164.04245	1.2
165.06973	1.8
165.16331	1.1
167.08492	1.5
167.10687	9.5
171.08061	1.8
172.05203	2.3
175.07509	1.3
179.08626	1.2
181.06425	1.8
183.08014	3.8
185.09708	1.5
187.05887	1.4
187.07541	15.4
188.08310	1.6
189.07143	1.2
189.09163	1.9
189.12692	3.9
190.07745	3.2
191.08543	7.0
191.10437	1.5
195.08116	1.8
197.09619	1.1
199.07504	2.8
199.11203	1.2
201.09044	1.1
203.08430	1.2
205.06453	1.1
207.08067	1.4
208.08800	4.0
211.11162	1.9
211.34323	0.8
213.07491	1.0
213.09222	1.4
215.10654	3.9
218.07254	1.5
219.08069	15.4
221.05971	1.7
221.09576	2.6
225.09056	2.1
233.09584	3.3
235.07495	3.4
236.08421	4.5
237.09091	1.3
238.09749	0.9
247.07594	10.6
248.08267	1.7
249.05473	1.5
249.09013	1.3
250.09601	0.8
251.06871	1.1
251.10692	13.5
253.08673	4.5
261.09018	3.8
263.06793	1.4
264.07797	4.9
265.08463	1.6
267.13748	1.1
268.07526	1.2
268.10953	1.2
275.20111	1.5
278.09259	1.5
279.10178	24.5
280.10867	2.5
281.08154	5.5
283.09619	3.1
293.11166	1.1
293.13739	8.9
293.28223	1.7
296.10455	7.8
311.09488	1.9
311.12683	51.5
311.16116	8.2
311.23492	1.1
311.29468	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.78929	1.6
53.00305	2.0
53.03930	6.0
55.01872	23.7
55.05513	39.0
55.66278	1.8
57.03424	4.8
57.07075	4.3
65.03891	2.0
67.05507	42.6
69.03438	8.4
69.06733	2.4
69.07073	30.3
70.54429	1.6
71.04996	13.7
71.08627	3.1
71.52649	2.5
79.05494	61.4
81.03407	6.2
81.07058	77.7
83.04567	2.3
83.04987	29.4
83.08618	25.2
85.02874	4.2
85.06544	3.2
87.04483	2.9
91.05482	30.2
93.06486	3.4
93.07045	45.2
95.04967	15.1
95.08067	2.9
95.08612	39.6
97.02892	2.9
97.05931	3.7
97.06534	58.1
97.10167	34.0
99.08105	3.4
101.06012	2.4
103.05440	3.1
105.07027	29.5
107.04942	6.1
107.08595	83.5
109.06527	8.9
109.10181	16.6
111.04414	5.5
111.08065	9.2
113.05997	10.8
115.05523	2.7
117.07044	9.7
119.06042	2.4
119.08582	15.3
121.02853	1.9
121.06500	5.8
121.10148	19.1
122.03654	2.5
123.04384	4.1
123.08071	5.8
123.11685	6.4
125.05984	7.0
125.09636	65.8
127.03915	2.8
129.07039	5.4
131.08559	13.0
133.10136	16.1
135.08060	8.9
135.11671	15.0
137.05019	3.0
137.05986	34.0
137.09531	3.0
137.13187	2.3
139.07465	1.7
139.11183	5.7
143.08534	5.4
145.06396	2.3
145.10112	13.2
147.04439	2.0
147.11659	9.2
149.05940	4.2
149.09608	14.2
149.13243	3.1
151.07518	3.1
151.11215	2.1
153.06967	2.2
153.09114	2.5
153.12721	10.5
155.08466	3.3
157.06363	2.1
157.10146	5.8
159.08099	2.4
159.11758	8.2
161.05954	2.6
161.09625	2.7
161.13281	3.2
163.11205	10.6
165.06995	3.3
167.07077	2.4
167.10663	4.3
167.14439	1.8
169.06516	3.6
169.10101	8.6
169.12187	3.7
171.08051	2.6
171.11650	3.4
173.09651	2.3
173.13283	6.0
175.11107	2.9
177.12723	7.7
179.08536	2.8
181.06442	2.5
181.12227	6.3
183.11729	4.2
184.05258	2.5
185.09596	2.4
187.07579	13.8
187.11208	4.7
189.11234	26.9
189.12820	1.9
190.07751	5.0
191.08560	7.5
193.10115	2.1
193.12144	2.3
195.07971	2.4
195.13866	2.6
197.09526	5.0
197.13263	2.6
199.07547	2.1
201.09056	3.9
205.06490	1.9
205.10350	1.9
205.12257	6.0
207.08057	5.9
208.08853	4.5
209.09587	3.6
209.11607	3.3
211.11165	3.0
211.13185	3.5
213.09108	6.5
213.14853	4.3
214.09895	2.6
215.10652	14.5
218.07202	3.9
219.08012	18.3
221.05832	1.8
221.09502	4.2
222.10358	2.3
223.07561	2.4
223.11287	3.4
223.13208	14.4
225.09024	4.2
229.19470	2.9
231.08032	1.9
231.10123	2.7
233.09616	4.2
233.15352	1.8
234.10484	8.6
235.07545	7.2
236.08282	9.0
237.09102	4.2
237.16614	1.9
239.10576	2.4
239.17950	4.6
241.14447	2.8
246.06595	2.1
247.07533	16.5
247.20515	4.7
248.08203	2.6
249.09018	4.8
250.09912	9.5
251.10674	21.8
251.16370	2.3
253.08611	6.6
253.12384	1.8
255.06406	2.9
257.18948	7.6
261.09116	8.3
262.09802	6.1
263.07181	2.4
263.10629	2.5
264.07758	6.5
264.11331	4.6
265.08609	7.3
265.12253	11.1
265.15042	1.9
265.21738	1.8
267.13809	2.8
268.10965	2.3
270.08951	6.8
275.20056	70.1
278.09335	4.9
279.10196	32.4
280.10944	17.4
281.08069	5.7
283.09628	5.2
283.12900	1.9
283.16937	2.0
293.11670	17.5
293.15274	8.9
293.21118	60.8
296.10416	11.7
311.12726	100.0
311.16379	44.4
311.19861	3.8
311.23413	6.7
312.13260	2.3
321.86844	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	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
52.82883	1.8
53.03943	6.1
55.01874	29.7
55.05270	2.9
55.05513	40.6
57.03430	6.1
57.07073	5.5
59.04994	2.5
65.03953	2.9
67.05177	2.8
67.05511	36.8
69.03429	9.6
69.07072	26.4
71.04994	12.8
71.52477	1.7
79.05495	55.3
81.03404	7.6
81.07062	69.8
83.04987	28.7
83.08150	2.5
83.08623	30.1
85.02911	3.7
85.06536	4.3
87.04443	1.8
88.19308	2.3
91.05483	30.1
93.07046	43.6
95.04977	13.6
95.08065	2.3
95.08617	27.3
97.05923	3.3
97.06536	51.5
97.07153	3.1
97.10179	33.6
99.08117	3.3
105.07040	26.0
107.04953	7.4
107.08595	77.9
109.06514	8.8
109.10179	13.5
111.04455	7.8
111.08094	9.4
113.06011	10.4
115.05442	2.5
117.07041	9.4
119.04932	2.2
119.08596	13.8
121.06512	9.6
121.10161	20.4
122.03642	3.2
123.04407	6.1
123.08079	5.2
123.11729	5.2
125.05980	6.3
125.09633	65.8
129.07010	2.3
131.08549	14.9
133.10149	13.2
135.08072	4.8
135.11679	13.0
135.37779	2.0
137.05978	34.5
137.09627	3.4
139.11165	6.0
141.07013	4.4
143.08525	4.7
143.10635	3.5
145.06433	2.7
145.10155	16.0
147.11673	8.4
149.06046	4.5
149.09633	13.1
149.13316	3.0
151.07581	3.7
153.09091	2.2
153.12733	10.7
157.10165	4.8
159.08099	4.9
159.11726	11.0
161.05945	1.7
161.09615	2.5
161.13365	2.5
163.11183	9.9
167.07077	3.2
167.08507	3.0
167.10686	4.4
169.10120	4.3
169.12299	2.2
171.10173	2.0
171.11627	3.6
173.09604	3.1
173.13252	4.8
175.11143	2.5
175.14870	2.3
177.12811	8.4
179.08510	2.4
181.06485	2.8
181.12267	6.7
183.11659	3.8
185.13193	2.3
186.06819	1.9
187.07568	10.8
187.11215	5.3
189.11238	28.2
189.12750	2.8
190.07771	3.0
191.08473	8.9
193.10216	2.8
195.07957	2.3
197.09654	5.2
199.07526	2.9
201.09122	4.2
203.08495	2.3
205.06413	2.2
205.10201	2.2
205.12289	5.3
207.08075	5.1
208.08904	4.8
209.09608	2.2
209.11617	2.6
211.11324	3.4
211.13242	3.4
213.09129	6.3
213.14815	4.7
213.16673	2.0
214.09836	3.1
215.10735	13.7
218.07318	6.4
219.08070	19.1
220.08926	3.4
221.05983	3.0
221.09602	3.3
222.10315	1.8
223.13199	12.4
225.09258	3.5
229.19466	2.8
231.10269	2.3
233.09576	5.5
234.10403	4.7
235.07442	8.5
236.08313	7.4
237.09076	3.9
237.11235	2.6
239.10760	2.3
239.18036	2.8
241.14285	4.0
247.07549	15.3
247.20583	2.4
248.08223	2.2
249.09032	4.9
250.09909	9.6
251.10655	19.5
253.08551	3.3
255.17850	2.0
257.18988	6.8
261.09128	7.3
262.09869	6.5
263.07010	3.0
263.10654	4.0
264.07864	6.5
264.11221	4.3
265.08810	9.0
265.12225	10.0
265.16019	2.3
267.10162	4.0
267.13882	3.0
270.08948	3.5
275.20087	66.0
278.09412	4.7
279.10165	28.8
280.10983	19.9
281.08163	10.5
283.09763	4.8
293.11731	17.6
293.15347	8.7
293.21112	71.3
296.10492	13.1
311.09680	3.5
311.12753	100.0
311.16400	31.5
311.22256	3.6
312.13132	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.03930	0.8
55.01869	2.7
55.05510	6.5
57.03425	1.2
57.07079	26.4
67.05508	12.9
68.99783	1.3
69.03414	2.7
69.07082	5.4
70.06577	0.8
71.01369	1.4
71.04977	3.2
71.52445	1.7
73.52637	0.8
75.76749	0.7
79.05489	7.8
81.03413	2.5
81.07060	10.9
81.84448	0.8
83.04977	9.0
83.08611	2.9
85.02940	1.3
85.06512	0.8
90.87106	0.8
91.05488	10.4
93.07047	10.2
95.04954	2.7
95.08611	8.3
97.06524	2.7
97.10136	1.4
99.08089	1.2
105.07045	10.5
107.04974	4.0
107.08599	7.6
109.02855	4.9
109.06498	2.5
109.10163	7.1
111.04456	18.4
111.08089	2.3
117.07032	3.6
119.08590	6.9
121.06503	1.7
121.10147	6.3
123.08070	3.5
123.11716	1.5
125.06007	7.8
125.09616	1.3
129.07007	2.2
131.08583	5.0
133.10124	8.9
135.04395	2.9
135.08069	1.3
135.11685	2.3
137.05992	8.1
137.09622	2.7
139.11159	1.6
141.06947	0.9
141.09105	1.3
143.08604	1.0
145.06543	1.1
145.10139	4.9
147.11710	2.2
149.05995	1.5
149.09627	2.7
149.13274	1.0
151.07539	1.0
153.05466	20.0
155.10686	1.4
157.10141	1.2
159.11676	2.3
163.03799	1.2
163.11168	5.0
163.25276	0.9
165.09163	0.9
169.10124	0.9
171.11681	1.5
173.11745	2.3
173.13142	1.2
181.05020	5.1
181.12244	8.8
183.11731	1.6
187.07562	2.4
191.08800	1.6
191.10690	10.5
193.05003	3.0
195.10170	1.2
196.62608	1.0
208.08891	0.8
209.11737	100.0
219.08055	3.2
219.10089	1.7
221.15498	0.8
223.10532	0.9
235.17009	1.5
236.08311	1.2
237.11223	84.1
238.11633	1.2
239.17944	2.4
247.07564	3.7
251.10722	3.2
251.20245	0.9
255.12300	23.9
256.26227	1.0
257.19000	3.0
264.07632	1.0
265.18192	0.8
275.20047	10.2
279.10147	6.1
281.08051	2.0
293.17435	9.4
293.20953	2.7
296.10352	2.4
311.12802	10.7
311.18585	10.2
311.24362	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03940	3.8
53.92939	1.6
55.01867	7.2
55.05518	17.8
57.03442	4.9
57.06837	2.2
57.07083	30.2
60.10832	1.7
65.03947	1.8
65.91615	2.1
67.05188	2.3
67.05513	31.7
67.39438	1.7
68.99783	1.9
69.03432	5.2
69.07071	14.8
70.64826	1.8
71.04986	4.4
71.15051	1.4
71.52339	2.4
73.02872	1.7
79.05496	22.7
81.03378	3.4
81.07063	41.8
83.04985	11.8
83.08624	10.4
85.02892	2.2
85.06530	3.7
91.05487	19.0
93.07043	22.6
95.04964	7.9
95.08618	21.1
97.02905	2.4
97.06533	11.1
97.10169	4.2
97.53337	1.6
105.07043	20.3
107.04939	7.9
107.08590	20.2
109.02861	5.1
109.06496	9.9
109.07169	1.8
109.10162	19.1
111.04440	20.1
111.08085	5.6
111.75849	1.8
112.37566	1.7
117.07053	4.6
119.08586	21.2
121.06519	3.2
121.10161	16.9
123.04478	1.9
123.08067	6.4
123.11686	4.3
125.05994	7.8
125.09637	3.4
127.07581	1.9
129.07086	2.8
131.08588	9.3
133.10138	18.1
135.04433	4.2
135.08044	3.6
135.11705	7.8
137.05984	19.7
137.09558	4.5
139.11201	3.2
143.08499	2.7
145.10103	9.0
147.11671	7.4
149.02319	2.2
149.06079	2.6
149.09639	7.0
149.13251	2.4
151.11177	4.5
153.05492	20.2
153.39758	1.9
155.70743	1.9
157.10162	2.3
159.11697	7.2
161.09610	1.8
161.13248	3.1
163.11186	9.7
165.12753	2.7
169.10178	1.8
171.11678	2.2
173.13286	4.9
175.14825	2.9
177.00475	1.7
177.12828	2.4
179.10594	2.0
181.04938	4.3
181.12270	10.8
187.07585	5.4
191.08574	3.0
191.10680	10.5
193.04951	2.6
197.13155	2.3
208.08926	2.0
209.11749	100.0
215.17915	2.1
219.08044	6.2
223.13277	3.1
229.19449	2.9
235.16951	4.2
236.08299	5.0
237.11229	85.8
239.17912	4.6
247.07605	6.7
247.20589	2.0
251.10661	6.8
252.02316	1.7
253.08586	3.0
255.12292	26.0
257.19022	7.7
261.09116	2.3
264.07751	3.3
265.08377	2.7
265.21640	2.5
275.20087	47.4
279.10144	14.7
283.09686	1.8
285.05780	1.7
293.17465	7.4
293.21118	20.0
296.10294	5.0
311.09219	3.8
311.12720	26.2
311.18585	7.9
311.24567	3.6
311.74927	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03942	2.7
55.01857	4.1
55.05515	17.2
55.53379	1.1
57.03430	2.2
57.07080	9.2
59.04995	1.5
65.03958	1.2
67.05509	25.8
69.06734	2.0
69.07073	27.1
69.98557	1.4
71.01361	1.2
71.04993	5.9
73.06541	1.4
79.05498	18.2
81.03423	2.4
81.07059	33.8
83.01337	2.6
83.04993	5.8
83.08618	9.4
85.02901	7.5
85.06530	5.4
91.05481	12.6
93.06500	1.5
93.07053	27.2
95.04964	5.8
95.08611	31.6
97.06534	13.7
99.08073	1.7
100.89647	1.4
105.07047	11.1
107.04948	3.6
107.08590	19.2
109.02905	1.4
109.06504	4.6
109.10141	9.8
111.04446	9.5
111.08079	10.9
111.11718	2.1
117.07027	2.6
119.08570	7.9
121.06493	6.1
121.10154	9.2
123.08055	2.5
123.11736	2.1
125.05991	5.2
125.09630	2.9
129.07118	1.8
131.08582	5.3
133.10141	4.2
135.04434	2.2
135.08089	3.4
135.11705	18.6
137.05977	8.9
137.09576	3.7
137.13187	1.2
139.07559	5.3
145.10104	5.2
147.11687	5.3
149.09651	3.0
151.11165	3.7
153.05481	4.3
153.12801	6.8
155.08664	1.5
155.46330	1.2
157.10143	1.7
159.11624	1.2
161.09622	2.8
163.11203	3.2
165.12721	2.6
171.08025	1.9
173.13310	1.8
181.12247	3.4
183.08101	1.8
187.07510	2.5
191.10654	2.7
191.14293	2.1
193.12280	2.1
199.07516	5.0
208.08861	1.2
209.11716	26.2
209.15393	2.1
211.13235	4.6
217.14342	11.4
218.07367	1.5
219.07994	3.2
223.71867	1.3
236.08363	1.5
237.11230	24.8
247.07533	2.2
247.20602	4.7
251.10699	2.8
253.08490	1.7
255.12241	6.1
257.19031	2.1
264.07800	2.3
265.21677	14.1
275.20053	32.4
279.10251	7.3
293.21118	100.0
296.10257	2.5
311.12680	9.7
311.16333	5.2
311.22150	10.2
311.25656	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.9
55.05510	17.1
57.03416	3.6
57.07074	26.3
58.51706	2.1
58.91296	2.2
67.05509	33.1
68.26457	2.3
68.99770	3.1
69.03423	15.6
69.07071	16.4
70.10011	8.3
71.01365	2.6
71.04977	6.3
79.05495	29.2
81.03413	5.2
81.06593	3.5
81.07059	55.5
83.04967	13.4
83.08629	14.0
85.02869	2.4
85.06503	4.2
91.05488	24.3
93.07042	25.4
95.04951	6.7
95.08614	26.4
97.06524	9.7
97.10158	6.2
98.20836	2.8
99.04454	2.5
99.08061	3.0
105.07025	27.1
107.04942	7.2
107.08604	27.2
109.02868	5.6
109.06521	12.2
109.10162	19.2
111.04438	16.6
111.08064	4.2
117.07030	5.1
119.08570	17.4
121.06488	3.3
121.10156	13.7
123.08066	6.9
123.11713	7.0
125.05991	6.4
125.09624	5.4
131.08568	10.4
133.10133	27.5
135.08029	4.6
135.11711	7.3
137.05975	17.6
137.09618	5.7
141.06960	2.6
143.08559	3.0
145.06573	3.0
145.10078	11.4
146.79495	2.7
147.11687	10.6
149.09607	7.2
149.13293	6.2
151.07640	2.3
151.11183	10.6
153.05457	15.2
155.08562	2.6
157.10156	5.8
159.11705	6.7
161.09573	2.8
163.11172	9.2
171.11737	2.9
173.13264	3.9
181.05025	4.6
181.12221	8.7
187.07416	5.1
189.11156	3.8
189.12753	2.7
191.08833	3.1
191.10660	13.6
195.11639	2.8
195.13794	2.7
197.13254	3.2
209.11729	100.0
219.08119	10.8
235.16975	11.6
236.08282	3.2
237.11211	75.2
239.17917	4.2
247.07610	6.3
251.10672	8.2
255.12286	19.3
257.19049	7.4
264.07648	4.3
265.21667	3.0
275.20078	47.8
279.10217	13.6
281.07800	3.1
293.17468	8.3
293.21069	18.5
296.10193	5.8
311.12817	26.6
311.18582	9.1
311.24390	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	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.82443	0.5
53.03934	0.5
55.01868	1.3
55.05515	38.4
57.03168	0.8
57.03442	15.0
57.07080	18.6
60.29405	0.5
67.05506	5.2
69.07072	41.6
69.36198	3.6
71.04990	0.5
71.08640	13.0
73.02892	0.9
73.06548	0.7
79.05495	3.2
81.07058	8.7
83.04958	0.9
83.08623	35.6
85.10192	4.5
93.07042	4.4
95.08614	5.2
97.01005	0.4
97.06539	3.9
97.10177	23.9
98.21500	1.0
99.08132	0.5
107.08584	3.0
109.10162	2.8
111.08060	1.3
111.11731	7.3
114.16038	0.4
121.10149	4.6
123.11694	0.9
125.09603	2.0
125.13278	1.8
128.25322	0.4
129.05476	0.5
135.11703	3.8
137.13246	0.7
139.11211	1.0
139.14893	0.7
149.13269	2.1
153.12717	0.7
163.14828	0.5
209.11671	1.0
219.21111	0.8
237.11229	1.2
237.22021	0.6
311.25824	100.0
312.26187	0.9
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
55.01862	1.8
55.05517	43.7
57.03205	1.2
57.03446	16.9
57.07079	22.1
67.05506	6.8
68.99770	0.9
69.07075	46.4
70.06801	3.1
71.08287	1.1
71.08640	11.4
73.02927	0.8
79.05496	6.6
81.07062	10.3
83.04979	2.1
83.08627	40.6
85.10198	5.0
91.05492	1.4
93.07046	7.4
95.08607	8.3
97.06552	5.2
97.10183	28.2
107.08611	4.1
109.10172	3.1
111.04452	2.6
111.08057	2.8
111.11731	8.4
114.99667	0.7
121.10149	7.0
123.11716	0.9
125.09628	1.9
125.13290	1.5
135.04436	5.8
135.11758	4.6
137.05975	1.9
139.11154	1.1
149.13266	1.2
153.05499	1.7
161.09615	2.7
163.14880	1.0
191.10667	1.9
193.82323	0.7
209.11702	11.8
229.71724	0.7
237.11214	9.2
237.22263	1.3
251.10655	1.1
255.12259	2.0
279.10257	2.1
293.17761	1.4
293.24869	0.8
296.10504	1.0
311.12787	4.5
311.25848	100.0
312.26224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2948
Annotation	Phytenic acid
Peak:m/z	Relative Intensity
53.03930	1.9
55.01871	2.7
55.05516	31.5
57.03429	2.8
57.07085	16.6
59.05007	1.8
67.05511	28.9
69.03419	4.8
69.07075	100.0
71.04984	3.4
71.08648	7.1
73.06549	3.2
79.05500	12.2
81.07063	90.7
81.18002	1.1
83.04980	1.6
83.08154	2.1
83.08626	38.2
83.49953	1.0
85.06554	17.3
85.10189	2.6
87.08128	1.4
91.03194	1.2
91.05498	6.3
93.07050	29.1
95.04993	2.4
95.08614	83.5
97.02910	1.2
97.06538	10.7
97.10181	17.4
98.20721	2.4
99.08101	12.1
100.11244	1.8
100.84118	1.0
105.07027	3.7
107.08613	21.8
109.02853	1.1
109.10166	54.8
111.08095	7.7
111.11729	23.1
113.09603	1.5
119.08594	2.1
121.10172	12.3
122.03618	1.3
123.11712	24.4
125.09611	2.2
125.13274	7.1
127.11166	2.2
129.06998	1.4
131.08571	1.9
133.10080	1.8
135.11694	17.1
137.06003	12.1
137.13287	11.6
139.14737	1.3
143.14244	1.2
145.10130	1.3
149.09615	2.6
149.13268	16.8
151.14827	17.2
153.12758	20.6
162.05310	1.1
163.14819	7.3
165.16415	5.4
167.14322	4.3
169.15944	1.4
173.13307	1.9
177.16425	3.0
179.17935	1.6
187.07544	3.9
191.08562	2.9
191.17943	1.4
193.19496	2.0
213.08908	1.4
215.10686	2.5
218.07239	1.6
219.08026	4.5
219.21089	1.6
233.22682	1.4
235.07443	2.0
236.08214	2.7
247.07576	3.7
247.21408	1.5
249.25742	2.1
251.10725	5.4
253.08568	1.6
264.07770	1.9
268.10803	2.5
275.19928	3.3
275.27383	5.7
279.10141	8.4
280.10733	2.2
281.07983	2.5
288.11804	1.1
293.28506	9.9
296.10355	4.1
310.74356	1.4
311.12717	22.5
311.16449	7.3
311.29468	28.1
330.54474	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2945
Annotation	omega-Cycloheptyltridecanoic acid
Peak:m/z	Relative Intensity
53.03962	3.4
55.05510	31.9
57.07073	20.2
67.05511	27.3
69.03436	4.4
69.06689	4.3
69.07068	80.3
70.13490	10.9
71.04984	2.9
71.08628	6.6
79.05503	15.9
79.90887	3.3
81.03421	3.8
81.07051	100.0
83.08615	46.9
84.04382	3.1
85.02879	4.8
85.06529	13.7
91.05494	6.4
93.07043	44.0
95.08610	85.7
97.06540	9.7
97.10162	32.3
99.08076	9.6
105.07063	5.0
107.08585	27.9
109.10155	59.2
111.08070	12.1
111.11729	22.3
114.59746	2.7
119.08542	4.6
121.10125	32.1
123.11691	37.6
125.13282	4.0
131.08617	4.4
133.10086	3.2
135.11674	8.7
137.05969	9.3
137.13245	19.4
149.09616	7.6
149.13246	28.6
151.14815	6.6
153.12729	3.1
161.57643	3.1
163.14848	6.7
165.16385	3.4
167.14359	9.5
177.16368	4.4
193.19420	4.1
219.08029	4.6
228.20161	3.2
249.25751	6.3
251.10669	7.8
275.27405	8.6
279.10193	6.4
293.28427	24.7
303.94199	3.0
311.12735	14.2
311.16382	5.9
311.29562	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	311.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01862	4.3
55.05514	29.2
57.07083	17.9
67.05509	35.8
69.03432	2.7
69.07070	72.2
69.32016	5.7
69.32453	10.1
71.04984	2.8
71.08630	6.5
76.80881	1.5
79.05496	18.9
81.07060	100.0
83.04980	2.8
83.08157	2.5
83.08625	32.3
85.06548	23.3
85.10175	2.0
85.69490	1.7
91.05495	9.4
93.07042	24.5
95.04983	4.0
95.08611	85.5
97.06541	6.0
97.10175	19.2
99.08099	13.5
105.07029	6.4
107.08601	20.5
109.02882	2.1
109.06525	2.4
109.10158	49.3
109.37822	1.6
111.08072	6.4
111.11727	13.6
113.09667	3.2
119.08555	3.8
121.06506	2.2
121.10149	16.1
122.03645	3.1
123.11704	26.9
125.13276	5.5
127.11205	1.9
131.08604	4.6
133.10150	3.6
135.08000	1.7
135.11690	9.0
137.06001	20.5
137.13261	12.9
143.08540	2.3
145.10100	3.3
147.11665	3.9
149.09613	4.7
149.13246	11.4
151.14857	8.7
153.12779	3.1
159.11754	3.7
163.14841	7.3
165.06958	1.8
165.16370	5.4
169.10211	2.5
171.11725	1.7
173.13156	2.4
177.16481	3.1
179.17900	3.0
183.11569	1.8
187.07550	7.2
191.08508	3.1
195.12213	1.6
199.07526	2.2
205.19553	2.2
211.11208	2.1
212.95154	1.6
213.09134	1.9
215.10623	4.5
219.08083	7.3
231.10185	2.3
233.09572	2.1
235.07587	2.8
236.08362	2.0
247.07570	6.5
251.10739	7.7
253.08687	2.5
261.09052	3.1
275.20074	14.7
275.27341	4.9
279.10120	14.6
281.08203	2.5
281.28403	3.3
293.15335	2.9
293.28439	14.0
296.10419	5.0
311.12720	21.0
311.16397	18.9
311.19940	2.7
311.23721	4.3
311.29474	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	311.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.4
55.05510	31.9
57.07073	20.2
67.05511	27.3
69.03436	4.4
69.06689	4.3
69.07068	80.3
70.13490	10.9
71.04984	2.9
71.08628	6.6
79.05503	15.9
79.90887	3.3
81.03421	3.8
81.07051	100.0
83.08615	46.9
84.04382	3.1
85.02879	4.8
85.06529	13.7
91.05494	6.4
93.07043	44.0
95.08610	85.7
97.06540	9.7
97.10162	32.3
99.08076	9.6
105.07063	5.0
107.08585	27.9
109.10155	59.2
111.08070	12.1
111.11729	22.3
114.59746	2.7
119.08542	4.6
121.10125	32.1
123.11691	37.6
125.13282	4.0
131.08617	4.4
133.10086	3.2
135.11674	8.7
137.05969	9.3
137.13245	19.4
149.09616	7.6
149.13246	28.6
151.14815	6.6
153.12729	3.1
161.57643	3.1
163.14848	6.7
165.16385	3.4
167.14359	9.5
177.16368	4.4
193.19420	4.1
219.08029	4.6
228.20161	3.2
249.25751	6.3
251.10669	7.8
275.27405	8.6
279.10193	6.4
293.28427	24.7
303.94199	3.0
311.12735	14.2
311.16382	5.9
311.29562	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	312.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01882	0.5
55.02991	0.2
55.05518	0.1
55.43974	0.1
56.96568	5.9
57.03440	1.5
59.04987	0.2
60.57456	0.1
61.02924	1.8
67.05496	0.7
69.03433	4.0
70.03752	0.2
70.06593	0.5
70.98131	0.3
71.04990	0.6
71.51561	0.1
71.95261	0.2
72.08158	0.4
73.02920	1.9
74.97608	0.3
77.99886	0.1
79.05495	1.4
81.03421	1.8
81.07060	1.6
83.04998	0.1
84.08144	0.3
84.90543	0.1
84.96021	0.8
85.02910	7.2
86.03233	0.2
86.09719	0.5
86.97592	0.1
87.04469	1.0
89.03855	0.1
91.03969	0.6
91.05484	1.6
92.02560	0.1
92.05799	0.1
93.07041	0.6
93.96656	0.1
94.04181	0.2
95.00771	0.2
95.04984	0.4
95.08627	0.2
97.02888	3.5
97.06512	0.2
97.96827	0.2
98.97586	9.0
99.04474	0.7
99.97936	0.2
101.00869	0.3
102.96922	0.2
103.05472	0.3
105.00188	0.2
105.07043	0.6
106.07372	0.2
106.63013	0.1
107.04984	0.5
107.08607	0.5
109.02913	0.9
109.05158	0.8
109.05860	0.2
109.06525	1.4
110.01306	0.5
110.97570	1.4
112.05830	0.1
112.99163	0.5
115.03954	0.2
116.98624	3.5
117.01982	0.2
117.05721	0.2
119.01836	0.9
119.04965	1.1
120.01962	0.2
120.05247	0.2
121.06508	1.3
122.06871	0.2
123.01220	0.2
123.02042	0.2
123.08073	0.5
124.99126	0.3
127.01579	0.1
127.03919	1.7
128.02321	0.8
128.52518	0.1
128.98619	1.6
129.02209	0.2
130.93318	0.5
131.00140	0.4
131.01802	0.5
131.04951	0.1
132.08102	0.7
132.10202	0.3
132.98050	0.2
133.01646	0.2
133.05104	7.4
133.94560	0.1
134.02281	0.2
134.99680	1.0
135.03069	0.1
135.04425	0.2
135.08089	0.2
136.06140	0.1
137.01845	0.1
137.05984	6.5
138.02971	0.2
138.06339	0.3
138.09126	0.1
140.00182	0.2
140.02327	0.4
140.98586	0.2
143.00098	0.7
144.98100	0.3
145.01714	0.3
145.04970	0.8
146.02298	0.3
146.99641	0.7
147.03258	0.4
147.04427	1.2
148.04822	0.2
149.01324	0.2
149.02823	0.4
149.06017	0.9
150.07761	100.0
150.99126	0.3
151.07355	0.2
152.02283	0.2
152.98543	0.1
154.03868	0.2
155.00159	0.2
155.02870	0.3
155.04637	0.1
157.01714	0.2
158.99664	2.6
159.01062	0.2
160.00090	0.2
161.01259	0.4
161.02884	0.7
161.04701	0.2
161.05969	0.2
162.03636	0.2
162.99162	0.1
163.02681	0.3
163.03981	0.6
164.04337	0.1
164.05992	0.4
164.07195	0.2
164.10728	0.4
165.05499	0.3
167.07048	0.3
168.03621	0.4
169.00247	0.2
169.02663	0.2
170.03375	0.1
170.99669	0.6
172.94388	1.4
172.97610	0.2
173.01277	0.4
173.03029	0.1
173.06552	0.2
174.01801	0.2
175.02660	0.3
176.53667	0.2
177.00786	1.2
177.02216	0.3
177.04076	0.9
179.00206	0.2
179.03746	0.3
181.01756	0.4
182.03503	0.3
182.07239	0.2
183.03180	0.2
183.06845	0.2
184.02267	0.2
184.03935	0.3
185.01187	0.3
185.02844	0.2
185.04843	0.2
187.02867	0.2
187.04391	0.4
189.00725	0.6
189.02277	0.2
190.95407	1.0
190.98682	0.2
191.02368	0.2
191.03920	0.9
191.54080	0.1
192.02901	0.2
193.00212	0.2
193.01822	0.2
193.04797	0.8
193.54430	0.2
194.05290	0.3
195.03302	0.2
197.01248	0.9
197.04924	0.3
198.02919	0.3
198.04497	0.2
198.11310	0.4
199.02771	0.7
200.04424	0.5
200.08275	0.2
201.00664	0.7
201.04292	0.3
202.98828	0.2
203.02283	0.2
203.05943	0.2
205.01862	0.2
206.03401	0.3
207.03716	0.1
207.05217	3.3
208.96414	0.3
209.05051	0.2
210.11270	1.3
211.02837	0.5
213.00725	0.1
213.03278	0.6
214.95416	0.1
215.02234	0.6
215.04076	0.2
216.05920	0.2
216.96988	0.6
216.98788	0.2
218.98277	0.2
219.01735	1.5
222.04163	0.2
223.02818	0.4
224.04459	0.6
224.08205	0.2
227.05934	0.3
229.03831	0.3
231.05003	0.2
232.96460	0.3
232.99672	0.2
233.03333	0.2
234.99765	0.4
235.06761	0.2
237.02788	1.0
239.02299	0.3
241.03761	0.9
245.00014	0.2
245.06935	0.2
246.94336	0.4
249.02876	0.5
251.04346	0.7
252.08636	0.6
253.03871	0.6
259.04944	0.5
260.95932	0.3
264.95499	0.3
270.05823	0.1
271.04916	0.9
283.04910	0.3
285.02863	0.7
286.08325	0.1
288.95410	0.5
288.99014	0.5
289.05890	0.3
293.05420	0.4
294.05566	0.3
294.09732	0.2
295.04788	0.2
303.03577	0.6
306.96484	0.8
306.99945	0.3
307.06863	0.2
312.06494	0.7
312.13022	31.8
312.63135	0.1
313.05841	0.3
313.13129	0.3
327.03888	1.5
327.41095	0.2
330.07230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08857	1.0
53.03939	2.7
55.01867	3.3
55.05505	1.7
56.66484	0.8
57.00449	0.9
57.03437	5.4
58.68862	0.8
60.68338	1.0
61.02927	9.4
69.03429	18.3
69.07072	34.2
69.19431	0.9
70.90466	0.9
71.04981	2.7
71.51965	1.3
72.08170	1.0
73.02922	4.3
73.06556	10.4
79.05495	1.2
81.03417	6.5
84.08125	1.3
85.02908	100.0
86.09719	1.5
87.04460	3.8
87.08113	13.5
91.03954	8.2
95.04979	0.9
97.02895	26.0
97.06525	9.1
99.04452	3.8
101.16634	0.9
103.05499	1.5
105.09135	1.5
107.04942	1.0
109.02887	8.8
110.06058	1.1
114.42557	0.8
115.03954	1.5
115.07574	32.4
118.06587	1.0
121.06550	1.1
127.03917	26.2
131.04926	1.3
133.08612	13.9
137.05983	7.8
138.06332	2.3
145.04961	54.0
147.04414	1.5
150.05504	3.3
150.09155	0.9
163.06024	13.3
164.07082	3.4
180.08658	2.8
191.13103	1.0
220.08247	1.5
280.10480	1.3
282.08295	1.0
284.09872	1.1
295.13910	1.7
312.12805	9.8
312.18045	4.1
312.21484	1.4
312.97815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01872	1.7
55.08797	0.8
57.03442	6.5
61.02922	2.5
66.22958	0.7
67.05507	5.7
69.03432	20.5
70.49447	1.0
70.49781	1.9
71.01364	1.4
71.04988	2.7
71.59226	0.9
73.02917	2.9
79.05495	1.6
81.03421	10.0
81.07054	2.2
82.66283	0.8
83.05003	1.2
84.08160	0.9
85.02907	45.0
87.04472	1.5
87.14009	0.8
88.17201	0.8
91.05498	2.2
93.07056	1.7
95.04969	11.6
95.08613	2.5
97.02895	15.0
99.04465	5.5
101.02406	2.9
103.03959	1.3
105.03380	1.3
105.07037	1.3
107.04953	3.7
107.08560	1.1
108.57908	0.8
109.02888	7.2
109.06527	1.3
109.10157	1.1
113.04597	0.9
121.06528	1.2
121.10161	1.1
123.04433	100.0
127.03925	20.8
133.02872	1.4
133.10107	1.3
136.06172	5.5
137.06004	5.2
145.04968	8.1
147.04402	1.2
151.03912	33.0
164.07112	1.1
164.09308	1.9
166.00014	0.8
166.08804	0.9
169.05003	3.3
179.07104	1.2
221.05960	1.2
295.08231	3.1
313.10324	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	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
53.71175	0.6
55.01875	6.6
55.05507	0.8
57.03431	1.6
57.07062	1.6
65.03946	0.8
67.05502	4.8
68.99792	3.2
69.03088	0.8
69.03431	8.8
69.07065	1.8
70.06580	2.8
71.01345	0.9
71.17896	1.1
71.18224	1.2
73.02912	2.9
79.05504	6.6
81.03407	1.9
81.07057	12.6
83.04986	7.1
84.08122	0.7
85.02912	7.2
85.06557	1.6
91.05481	7.2
93.07043	2.2
94.02569	0.7
94.04190	0.9
95.04961	6.0
95.08557	1.0
97.02874	1.6
97.06528	1.2
98.97585	1.3
105.07037	1.1
107.04956	18.1
109.02859	1.1
109.06519	24.6
111.04433	4.3
113.02384	3.4
115.05470	1.0
115.07568	1.3
119.04952	4.8
121.06522	4.2
123.04422	2.8
125.06025	1.5
127.03923	1.3
127.07533	1.0
129.01845	33.1
131.03392	1.1
135.04460	0.8
136.07530	0.9
137.05980	100.0
139.07538	9.4
140.24725	0.8
143.04907	0.6
147.04440	1.8
149.05978	0.7
151.03934	3.6
151.07532	0.9
153.05511	2.1
155.03383	2.0
155.07034	8.2
159.02911	1.2
161.05992	1.3
163.03975	0.9
165.05501	1.2
175.07686	0.8
177.05501	0.9
180.08813	3.3
181.09157	3.4
182.08220	0.7
193.05019	1.5
203.06905	0.9
207.06514	0.9
249.07654	1.1
265.07065	1.1
267.08566	4.0
281.05899	0.9
283.08133	31.2
313.09079	8.6
313.27393	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12220	0.8
53.03947	3.9
55.01865	1.5
55.05509	2.9
57.03450	6.2
57.07069	1.9
61.02914	2.5
67.05507	9.7
67.44925	0.7
69.03432	22.6
69.07059	3.7
69.83932	4.0
70.84426	0.7
71.01353	1.6
71.04992	3.8
73.02909	2.8
75.92669	0.7
79.05502	2.9
80.26637	0.8
81.03426	18.7
81.07063	19.5
85.02908	44.5
85.06553	1.0
87.04495	0.9
91.05468	1.8
93.07063	4.3
95.04976	14.2
95.08613	6.8
96.08954	0.9
97.02892	14.2
97.06513	0.9
97.10155	1.2
99.04456	6.8
101.02382	4.6
103.03922	1.5
105.07014	2.3
107.04954	1.5
107.08592	2.3
109.02890	11.0
109.06505	2.1
109.10150	3.0
111.04456	1.2
111.08067	0.8
115.03941	1.4
119.08564	2.1
121.10130	2.1
123.04436	100.0
123.08089	1.4
123.11722	14.2
127.03926	33.9
129.07028	0.8
131.08560	1.2
133.02888	1.5
133.10150	2.1
135.08115	0.8
137.05978	5.4
145.04967	11.1
147.08022	0.9
151.03917	32.1
151.05150	1.7
151.07500	1.3
151.11176	3.7
159.08109	1.0
163.03888	2.4
165.07004	0.9
169.05049	3.9
169.06271	0.8
169.10037	1.0
169.12224	3.2
175.07542	1.0
175.11096	0.8
185.13249	0.7
187.13287	1.2
189.09160	1.1
190.07123	0.8
193.06505	0.8
199.14940	0.9
203.59982	0.7
217.18349	0.7
225.09245	0.8
253.08701	1.0
255.06497	1.0
264.78018	0.8
275.24731	1.0
277.21725	1.1
285.11197	1.1
295.08145	3.4
298.33908	0.8
313.07156	1.6
313.10675	5.1
313.16895	5.7
313.21585	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.1
53.03942	0.1
55.01877	0.2
63.00880	0.1
65.03940	0.3
66.04716	0.2
67.05488	0.1
69.03436	0.1
69.70768	0.5
70.93237	0.1
77.03931	0.1
79.05495	0.7
81.03409	0.2
81.07060	1.0
85.02911	0.2
91.05484	1.6
93.07046	0.1
94.03615	0.1
94.04192	2.2
95.04961	0.3
95.08622	0.1
98.21439	0.2
103.05476	0.5
105.03346	0.1
105.07030	0.1
107.04942	0.7
109.06525	3.0
111.04481	0.1
115.05450	0.4
117.07010	0.2
119.04945	0.3
119.06094	0.1
122.03655	5.5
127.04044	0.1
128.06230	0.3
129.07025	0.8
131.04922	1.0
136.05125	0.1
136.58867	0.1
137.05984	100.0
138.06293	0.6
139.07530	0.1
143.04921	0.5
144.05688	0.1
145.06493	0.3
151.03918	1.9
151.05049	0.1
151.07552	1.0
157.06490	1.1
160.05226	0.7
163.07547	1.5
174.06769	0.3
175.07558	3.0
177.09071	0.1
179.08493	0.1
189.09109	1.9
189.10759	0.1
193.10127	0.1
207.08081	0.1
221.09572	0.3
235.07495	0.2
249.09157	0.2
253.08693	0.1
253.12074	0.2
281.11713	0.4
313.10809	0.3
313.14380	1.7
313.17838	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.6
55.05518	11.7
57.03436	4.1
57.07066	4.5
60.31491	1.3
65.03945	1.9
67.05513	23.0
68.92916	1.3
69.03436	20.9
69.07055	5.6
70.54838	3.4
71.05001	10.8
73.02905	1.4
79.05493	7.9
81.03425	43.3
81.07061	100.0
82.04211	1.8
83.04980	2.7
85.02914	5.6
85.06544	5.8
89.06019	1.7
91.05502	6.6
91.94179	1.3
92.59829	1.2
93.07038	15.2
95.04984	6.8
95.08070	2.0
95.08617	29.3
95.97839	1.6
97.02892	8.5
97.06513	1.5
97.10170	7.1
99.04465	11.4
105.07031	5.3
107.08583	7.0
109.02887	21.6
109.06523	5.6
109.10139	5.9
111.08070	6.0
119.04929	1.9
119.08559	1.4
120.51013	1.2
121.10126	6.6
123.04441	3.9
123.08066	3.1
123.11712	78.2
127.03923	79.7
129.06966	2.8
133.02850	2.1
133.10132	4.2
137.06007	12.1
138.06302	2.5
139.07532	3.1
141.09109	3.0
145.10158	1.6
147.04433	1.6
151.03879	4.7
151.07564	9.9
151.11218	19.6
156.31403	1.5
157.06491	1.5
163.03905	5.6
169.12260	22.9
175.07587	1.5
187.13297	7.3
189.09129	7.0
190.07878	1.5
209.11792	1.8
211.07759	1.3
221.06036	2.0
224.08395	1.6
225.09337	1.6
235.07552	1.9
249.05659	2.0
249.08575	2.5
252.07855	2.8
253.08594	2.2
253.11273	3.0
255.06581	1.6
277.14270	1.6
281.10815	3.8
295.06302	1.6
295.11942	2.0
295.21344	1.2
313.07449	2.6
313.10995	11.2
313.16586	40.3
333.33643	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1648
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
51.61104	1.3
53.03955	6.0
55.01879	1.6
55.05515	11.7
57.03434	3.5
57.07069	3.8
65.10265	1.2
65.65015	1.2
67.05186	1.7
67.05510	24.2
69.03439	18.5
69.07083	5.0
70.72735	2.6
71.04996	14.9
79.05509	7.7
81.03424	35.8
81.07062	100.0
83.08620	1.9
85.02897	3.5
85.06550	3.5
86.10044	1.1
89.06090	1.4
91.05492	3.9
93.07058	13.0
95.04975	6.3
95.08617	29.1
97.02887	11.8
97.06559	1.7
97.10189	8.2
99.04463	12.0
105.07042	5.1
107.08601	5.5
108.59386	1.3
109.02883	18.5
109.06533	3.5
109.10188	6.9
111.08025	2.0
113.06004	1.6
121.10152	3.9
123.04444	3.2
123.11716	78.2
127.03927	95.8
133.06500	1.3
133.10129	4.1
134.70699	1.1
137.06010	2.9
141.12759	1.7
149.09616	3.2
151.03928	4.9
151.11177	18.7
163.03908	4.0
169.12250	21.9
187.13297	7.4
214.13835	1.1
235.36603	1.2
253.84651	1.1
259.13278	1.3
295.15457	3.5
313.07239	1.4
313.10782	3.5
313.16476	35.6
326.01456	1.0
328.81982	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.0
55.01870	2.0
55.05516	10.7
55.62346	1.3
57.03446	2.2
57.07079	2.8
57.76245	1.1
59.04999	1.7
59.78011	1.5
65.03929	3.1
67.05506	21.3
69.03435	17.3
69.07074	6.6
69.37639	9.2
69.37941	1.0
71.05006	10.4
77.03007	1.1
77.03961	1.8
79.05495	9.7
81.03426	37.3
81.07065	98.8
83.08632	2.1
85.02908	2.7
85.06539	5.6
91.05491	39.3
93.07060	12.8
94.04220	2.7
95.04987	12.1
95.08611	23.5
97.02889	8.9
97.10163	8.1
99.04457	9.7
105.07040	5.5
107.04974	2.8
107.08606	5.5
109.02892	24.0
109.06515	6.2
109.10176	5.0
111.08102	3.1
119.04961	26.9
121.10192	2.4
122.03625	7.6
123.08104	2.0
123.11716	70.7
127.03928	70.3
128.06236	9.6
129.07014	24.9
131.04929	2.0
131.08606	1.6
133.02829	1.3
133.06520	2.2
133.10136	5.2
136.05231	4.6
137.05988	65.4
138.06319	3.5
139.06557	2.8
141.12801	2.0
145.06511	1.4
151.03975	2.7
151.07555	100.0
151.11171	16.9
157.06500	14.4
161.05989	3.9
161.09619	2.8
163.07512	2.8
165.07036	2.2
169.12259	18.7
174.06766	12.8
175.07576	6.4
178.07838	4.3
187.07506	1.9
187.13322	6.7
189.09142	58.3
191.08534	3.8
193.10155	5.5
193.96904	1.4
203.08586	3.1
206.07202	2.0
210.06740	1.5
219.08107	2.1
220.08655	2.9
221.09686	9.3
223.07658	1.3
225.09340	1.3
231.07942	1.4
234.06696	1.3
235.11179	1.3
249.09100	6.6
251.10594	3.1
252.07941	1.4
253.09012	1.5
253.11905	9.4
263.10583	1.8
269.08078	3.3
272.10446	1.8
280.06207	1.3
281.11389	11.1
284.10547	2.8
313.14096	28.7
313.16693	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57650	0.4
52.94751	0.5
55.05519	5.3
57.03168	0.5
57.03443	16.5
57.07080	41.7
67.05506	8.1
67.07923	0.5
69.07071	7.3
69.26117	3.0
69.26525	1.3
71.08636	29.3
74.05959	0.4
79.05510	0.7
81.07062	12.4
83.04951	0.6
83.08620	9.4
84.15176	0.5
85.10190	13.7
89.06020	2.9
93.07076	1.2
95.08614	15.7
97.10172	4.6
99.11706	1.5
103.07585	1.3
105.07016	0.5
107.08561	0.5
109.10168	6.9
110.71250	0.5
111.11742	0.6
117.09077	0.6
121.10104	0.5
123.11727	2.9
131.10727	0.6
137.05966	1.1
137.13263	0.9
151.14894	0.8
159.11737	0.6
221.22681	0.6
234.29691	0.5
239.23776	3.8
241.43982	0.6
257.24826	4.3
281.87564	0.5
313.27386	100.0
314.19977	0.5
314.27585	1.2
326.60620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11481	0.6
55.01849	1.1
57.03436	0.8
61.02917	1.9
69.03439	3.2
70.06580	1.6
71.05000	0.9
71.52022	1.0
72.08161	3.5
73.06554	53.6
79.05490	1.9
81.03410	1.1
81.07059	1.7
85.02905	12.2
89.06033	24.8
91.03955	0.7
93.07024	1.0
95.04964	1.6
96.08132	1.2
97.02879	3.2
99.04459	0.8
109.02895	1.3
109.06525	0.7
113.70306	0.7
116.07081	1.8
117.05492	0.6
117.09126	5.1
119.04943	2.2
121.06501	1.3
123.04422	1.3
124.07581	1.5
127.03951	1.6
134.06021	1.4
135.10165	100.0
136.06203	0.8
136.07574	1.5
136.10477	0.8
137.05962	3.9
138.06317	1.7
139.07547	1.3
140.01515	0.7
145.04996	1.8
150.09109	3.9
152.07077	7.8
165.05482	0.8
171.14983	1.0
298.10748	0.8
314.14053	5.4
330.82404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1076
Annotation	Cuneataside B
Peak:m/z	Relative Intensity
52.64479	0.6
53.03949	1.6
54.69607	0.6
54.88068	0.8
55.01879	8.5
55.05504	1.5
56.11528	0.8
57.03431	2.4
65.03949	0.8
67.05503	5.2
68.99807	5.0
69.03419	6.9
69.07067	1.7
71.01342	1.1
71.04982	0.8
71.51437	1.2
73.02905	2.6
79.05505	6.4
81.03404	1.2
81.07063	12.3
83.04990	9.1
85.02901	3.8
85.06527	1.9
87.04442	0.9
88.86715	0.7
91.05488	6.0
93.07052	5.1
95.04976	6.6
97.02883	6.0
97.06522	1.7
99.00838	1.2
99.04446	1.3
103.05515	1.2
105.07022	1.7
107.04983	4.8
109.02829	1.0
109.06526	18.7
111.04441	8.1
111.08110	0.9
113.02372	3.4
113.06013	1.2
115.03912	2.4
119.04939	3.2
121.06514	17.9
123.04424	1.4
125.02381	1.8
125.05988	1.2
127.03951	0.9
127.07563	1.5
133.06544	1.3
135.04410	1.4
137.05988	100.0
138.06406	0.9
139.07549	25.8
141.07028	1.0
143.03419	3.6
147.04436	1.0
153.01872	1.2
153.05476	2.3
155.07060	8.1
157.08601	2.5
161.04478	10.5
161.05994	5.4
163.03889	0.9
163.07541	0.9
167.07112	0.9
169.04930	0.9
179.07043	1.2
191.07037	1.7
194.07283	0.8
209.08224	1.2
215.07144	1.1
219.75307	0.8
233.08232	1.1
265.08572	1.0
270.18552	0.7
283.09750	3.4
297.10028	2.9
306.17490	0.8
315.10651	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	315.1075
Annotation	Cuneataside B
Peak:m/z	Relative Intensity
53.03943	1.6
55.01866	3.3
55.05507	2.6
57.03436	2.2
61.02921	0.7
61.67384	0.8
67.05512	7.5
68.99798	5.2
69.03439	9.0
69.07074	0.9
70.09946	2.6
71.01377	1.9
73.02916	2.2
79.05490	7.3
81.03403	3.1
81.07066	12.4
83.04982	11.4
85.02892	3.5
85.06541	1.5
91.05475	5.6
93.07041	2.3
95.04973	9.4
97.02892	8.3
97.06535	1.7
98.21474	0.8
99.04414	0.8
101.02370	0.9
107.04980	4.7
109.05808	1.4
109.06529	19.9
109.10095	0.7
111.04439	3.2
113.02368	7.0
113.06031	1.2
115.03914	1.6
119.04943	5.0
121.06511	14.8
123.04399	3.6
124.36868	0.8
125.02351	2.0
125.06024	1.2
125.29028	0.8
131.05052	0.8
136.05186	1.6
137.05988	100.0
139.07573	3.3
143.03426	2.6
149.05940	1.2
151.03922	1.8
153.05528	1.9
155.07069	6.8
158.59932	0.9
161.04465	8.7
161.05980	3.2
163.03947	1.3
169.04965	3.1
187.07483	1.0
191.07060	2.2
195.08098	1.0
203.07118	0.9
207.06764	0.9
233.08063	0.9
249.07571	0.9
251.09193	0.9
255.10359	1.3
267.08713	2.7
279.08490	1.8
283.09573	2.8
297.09741	7.7
315.10654	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	315.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
53.75228	0.8
55.05269	1.1
55.05514	14.9
57.03429	2.0
57.07079	15.0
65.86701	0.8
67.05506	7.3
69.03098	0.9
69.03443	10.2
69.07074	100.0
70.06599	0.9
70.42578	0.8
71.05011	5.2
79.05484	3.1
81.03423	22.5
81.07062	15.2
83.04992	1.6
83.08624	37.6
85.02898	4.6
85.06561	1.5
85.37865	0.7
91.05459	2.3
93.07050	9.6
95.04981	1.5
95.08613	12.1
95.90536	0.7
97.02887	5.0
97.06536	9.2
97.10168	2.5
99.04459	5.4
99.08104	1.6
103.05499	0.9
105.07040	2.9
105.66370	0.7
107.08612	8.3
109.02240	1.0
109.02898	12.1
109.06505	1.2
109.10168	6.8
111.04459	1.4
111.08076	3.5
111.11732	1.7
115.05493	1.0
119.08576	1.3
121.06499	0.9
121.10122	1.6
123.04472	0.9
123.08053	0.9
123.11666	4.8
125.13278	11.7
127.03927	50.2
131.04903	1.3
133.06520	0.9
133.10081	1.4
135.11691	12.1
137.02301	1.1
137.05952	3.9
139.07599	0.8
143.04941	0.9
143.14313	6.5
145.04993	0.9
145.06482	1.1
147.11795	0.8
151.11223	3.9
152.06252	0.8
153.12755	38.2
159.08086	1.2
161.05983	4.0
163.03931	1.1
163.07538	0.9
165.06976	1.1
167.08546	0.8
169.12233	1.2
171.13809	13.1
181.06589	0.8
194.07240	1.1
195.08057	3.2
201.12985	0.8
208.05153	5.9
211.03885	1.1
222.03256	0.9
222.06938	1.1
223.07643	3.5
226.06259	1.7
233.15376	1.2
236.04652	1.6
237.09169	1.3
237.12810	1.2
240.04286	1.1
240.07677	1.0
241.08612	0.8
251.07086	1.2
251.07997	1.1
251.16428	2.4
254.05737	0.9
255.10107	1.8
265.08603	2.1
269.08224	6.8
269.11713	1.2
279.07523	1.3
279.16010	2.9
282.65924	0.8
283.09702	9.0
297.08203	2.9
297.11417	3.2
297.16956	6.4
315.08731	13.1
315.12341	9.1
315.18161	10.0
315.23157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
53.75228	0.8
55.05269	1.1
55.05514	14.9
57.03429	2.0
57.07079	15.0
65.86701	0.8
67.05506	7.3
69.03098	0.9
69.03443	10.2
69.07074	100.0
70.06599	0.9
70.42578	0.8
71.05011	5.2
79.05484	3.1
81.03423	22.5
81.07062	15.2
83.04992	1.6
83.08624	37.6
85.02898	4.6
85.06561	1.5
85.37865	0.7
91.05459	2.3
93.07050	9.6
95.04981	1.5
95.08613	12.1
95.90536	0.7
97.02887	5.0
97.06536	9.2
97.10168	2.5
99.04459	5.4
99.08104	1.6
103.05499	0.9
105.07040	2.9
105.66370	0.7
107.08612	8.3
109.02240	1.0
109.02898	12.1
109.06505	1.2
109.10168	6.8
111.04459	1.4
111.08076	3.5
111.11732	1.7
115.05493	1.0
119.08576	1.3
121.06499	0.9
121.10122	1.6
123.04472	0.9
123.08053	0.9
123.11666	4.8
125.13278	11.7
127.03927	50.2
131.04903	1.3
133.06520	0.9
133.10081	1.4
135.11691	12.1
137.02301	1.1
137.05952	3.9
139.07599	0.8
143.04941	0.9
143.14313	6.5
145.04993	0.9
145.06482	1.1
147.11795	0.8
151.11223	3.9
152.06252	0.8
153.12755	38.2
159.08086	1.2
161.05983	4.0
163.03931	1.1
163.07538	0.9
165.06976	1.1
167.08546	0.8
169.12233	1.2
171.13809	13.1
181.06589	0.8
194.07240	1.1
195.08057	3.2
201.12985	0.8
208.05153	5.9
211.03885	1.1
222.03256	0.9
222.06938	1.1
223.07643	3.5
226.06259	1.7
233.15376	1.2
236.04652	1.6
237.09169	1.3
237.12810	1.2
240.04286	1.1
240.07677	1.0
241.08612	0.8
251.07086	1.2
251.07997	1.1
251.16428	2.4
254.05737	0.9
255.10107	1.8
265.08603	2.1
269.08224	6.8
269.11713	1.2
279.07523	1.3
279.16010	2.9
282.65924	0.8
283.09702	9.0
297.08203	2.9
297.11417	3.2
297.16956	6.4
315.08731	13.1
315.12341	9.1
315.18161	10.0
315.23157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11834	2.9
53.03939	6.9
55.01868	5.8
55.05513	18.1
57.03428	11.7
57.07068	6.5
59.05001	5.7
61.02925	9.6
64.34968	2.4
67.05505	34.2
69.03435	21.9
69.07076	36.2
69.32356	23.6
71.01349	5.6
71.04991	8.3
71.09772	2.6
73.02927	4.8
79.05498	22.9
81.03429	13.5
81.06594	5.7
81.07063	100.0
83.04990	17.0
83.08621	4.8
85.02915	35.7
85.06544	7.4
87.04491	3.0
91.05484	22.8
93.06485	5.3
93.07053	87.8
95.04977	9.8
95.08614	64.9
97.02901	11.7
97.06534	12.5
98.21537	5.7
99.04450	6.7
103.03966	8.0
105.07042	22.9
107.04950	7.6
107.08607	78.9
109.02886	7.3
109.06526	9.9
109.10160	34.2
111.04491	4.1
111.08099	4.9
115.03967	4.8
115.05455	9.3
117.03432	4.6
117.07010	6.2
119.08617	17.1
121.06529	5.8
121.10172	15.5
123.04446	7.8
123.08090	9.1
123.11724	5.6
125.05988	3.0
125.09638	4.6
127.03910	10.5
127.11206	2.8
131.04991	3.3
131.08618	5.8
133.04988	7.7
133.06532	4.9
133.10152	11.5
135.04437	5.5
135.08070	14.0
135.11700	70.6
137.05992	5.5
137.09657	7.8
137.13286	29.1
139.07549	3.0
141.09013	3.7
142.07785	3.0
143.04927	8.3
143.08575	5.2
145.04948	4.4
145.10139	7.8
147.08067	9.3
147.11702	10.1
149.09650	9.7
149.13246	4.1
151.03911	4.9
151.07526	5.3
151.11203	6.5
153.09114	2.9
153.12758	14.4
155.08562	4.4
157.10130	3.2
159.11780	4.9
161.05957	19.1
161.09682	5.8
161.13287	3.4
163.03911	28.0
163.11253	5.6
165.09145	5.4
165.12773	28.2
169.10088	3.5
171.11699	3.6
173.13278	3.7
177.07024	4.3
177.12738	12.4
179.10651	4.1
187.11122	3.5
189.12767	5.4
193.12175	4.4
195.08127	5.8
195.10165	2.8
195.13828	4.5
201.12720	3.5
205.04939	6.6
205.06564	6.6
207.13791	9.2
219.13885	4.3
223.07538	12.3
223.09531	3.3
231.13939	4.5
237.09352	2.8
237.14793	3.6
243.13931	4.1
251.07008	6.3
255.10286	7.3
261.14905	5.2
265.08578	5.0
269.08179	5.6
279.06519	8.9
279.15878	7.3
283.09576	15.4
297.07751	6.2
297.11243	5.0
297.16928	23.5
315.08640	6.6
315.12439	15.7
315.18192	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	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73845	2.2
53.03942	5.6
55.05509	12.3
55.61670	2.0
57.03426	4.1
57.07062	2.4
59.05003	2.2
61.02938	4.2
63.62209	1.9
64.92139	1.9
67.05498	12.0
69.03442	14.9
69.07072	13.7
69.99612	3.1
69.99990	3.6
71.01347	2.8
71.04990	7.1
73.02905	2.4
73.92727	2.0
75.89456	1.8
79.05495	16.2
81.03417	11.7
81.07057	27.0
83.04971	4.1
83.08607	5.7
85.02916	33.5
87.04470	2.4
91.04969	2.6
91.05486	19.8
91.55089	1.9
93.07049	74.8
95.04961	7.2
95.08615	28.2
97.02917	12.5
97.06520	11.6
99.04464	3.9
103.03964	4.2
104.95478	1.9
105.07037	17.1
107.08601	100.0
109.02863	3.7
109.06489	7.6
109.10172	13.8
111.04459	2.2
111.08121	2.4
116.84992	2.0
117.07064	2.8
119.08602	14.2
121.06496	4.2
121.10136	8.8
123.04427	6.1
123.08086	3.1
123.11739	4.1
125.05995	3.8
127.03915	11.0
129.07030	3.4
131.08588	4.3
133.10124	4.9
135.08115	4.2
135.11700	73.3
137.09648	2.8
137.13243	5.4
143.08571	3.5
145.04944	4.7
145.10144	8.2
147.08005	2.5
147.11707	6.0
149.05922	2.6
151.11150	4.4
153.12750	20.1
153.55237	2.2
157.10120	5.8
159.08067	2.7
159.11671	4.4
161.06029	3.2
163.11134	4.3
165.12769	9.4
173.09712	2.5
177.12709	4.0
207.13766	2.9
223.07524	2.5
231.13846	5.1
243.13806	3.4
251.06920	3.1
261.14853	7.2
269.08182	2.8
279.15961	6.1
283.09668	3.8
297.16977	7.3
315.08951	2.8
315.12231	3.4
315.18005	7.9
321.20633	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	315.1956
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
55.05509	2.2
57.07055	1.0
60.04512	1.8
67.05502	3.0
68.98293	0.9
69.07055	2.9
71.12679	2.0
75.75861	1.1
79.05476	1.5
81.07040	3.4
83.08629	1.5
85.06543	2.0
91.05474	1.2
93.07027	1.8
95.08618	14.2
105.07038	2.3
107.04978	1.5
107.08568	1.4
117.07050	0.9
119.08591	2.1
121.06490	1.6
121.10138	1.3
128.06221	0.8
129.56627	0.7
131.04921	3.2
133.06517	14.3
133.10133	2.7
134.05083	0.9
135.08063	1.0
137.06003	2.2
145.06477	6.0
145.10117	1.2
147.08049	3.0
149.05983	2.4
149.09631	4.0
155.08620	1.0
157.06477	11.4
159.08095	4.4
161.09644	3.0
163.11201	1.0
171.08078	5.8
173.09634	49.3
175.09880	0.8
175.11198	18.6
177.05519	2.9
183.09207	3.6
184.08965	1.0
185.09587	5.1
185.21390	0.9
187.11201	4.3
189.12772	3.5
191.10690	2.6
199.11208	10.5
201.12798	3.9
203.07076	2.7
203.14378	6.2
211.11090	1.8
213.12791	3.9
215.14301	15.8
219.10107	6.0
225.12708	1.2
227.14314	22.1
229.15907	2.0
245.15178	1.2
251.07312	1.0
255.13834	1.1
269.19022	100.0
273.14883	8.5
287.20038	10.9
297.18475	1.3
315.08347	2.8
315.19571	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1956
Annotation	CHEBI:70555
Peak:m/z	Relative Intensity
55.01878	2.4
55.05507	5.1
57.07072	2.7
67.05505	11.8
67.08176	2.1
69.03416	2.9
69.07030	3.2
70.34758	4.1
71.04981	4.1
72.07491	2.1
79.05492	17.7
81.03431	2.9
81.07065	16.0
84.24682	1.9
85.06544	6.3
91.05476	27.0
93.07049	35.0
94.04183	4.5
95.04961	15.6
95.08611	23.2
97.06519	4.3
99.04439	2.8
103.05493	2.2
105.07034	43.1
107.04948	8.3
107.08569	19.4
109.06496	4.4
109.10159	5.3
111.04434	3.9
111.08040	1.7
115.05460	4.7
116.06275	2.7
117.07050	10.3
119.04950	4.7
119.08582	32.7
121.06509	23.6
121.10143	48.7
122.90501	2.1
122.99545	1.7
123.08027	5.2
128.06255	3.1
129.07024	9.0
129.37759	1.8
130.07716	3.0
131.04921	3.0
131.08586	18.4
133.06509	22.7
133.10126	4.8
135.08112	3.0
135.11694	4.5
137.06007	2.4
141.07016	4.2
142.07770	3.6
143.08571	12.7
145.06487	39.2
145.10132	17.1
147.08052	53.1
147.11691	5.4
148.08809	3.7
149.06027	2.8
149.09666	2.3
153.06912	2.4
155.08572	9.1
157.06474	9.2
157.10092	10.6
159.08052	13.7
159.11703	17.7
160.08815	2.8
161.09665	9.5
161.13255	5.0
166.47131	2.1
168.09343	6.7
169.10179	5.1
171.08037	6.3
171.11697	5.2
173.09615	28.9
173.13228	9.0
175.11205	6.8
181.10193	3.2
183.07916	2.0
183.11716	9.9
185.09663	3.8
185.13231	4.2
187.11192	6.3
187.14854	1.9
193.08612	56.2
195.11740	5.5
197.13297	7.4
199.11209	13.0
199.59238	2.1
201.12714	21.3
203.14330	7.5
207.10144	7.2
209.13354	2.3
213.12756	6.0
215.14293	15.8
216.15094	4.0
217.12271	2.2
219.10220	2.6
221.11708	3.7
227.10687	13.5
227.14311	13.2
229.12436	9.3
241.19591	3.0
245.11607	3.1
247.13290	21.4
251.17982	12.7
259.13376	9.7
269.19025	60.4
273.14713	3.8
287.20023	9.7
297.18555	10.8
315.08554	4.4
315.19553	100.0
316.32037	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	315.1957
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
55.01876	18.9
55.05520	1.1
57.44255	0.7
59.04972	1.1
60.04520	1.8
67.05501	3.1
69.03457	0.8
69.60806	3.4
69.61212	1.5
71.05010	4.3
79.05499	7.5
81.07054	3.2
83.05007	1.0
91.05481	6.8
93.07056	5.3
95.04963	2.7
95.08649	4.4
98.21436	1.0
105.07040	7.4
107.04962	6.8
107.08606	22.9
109.06509	1.8
109.10181	5.2
115.05479	1.5
117.07025	3.8
118.62649	0.8
119.08602	12.7
121.02875	1.7
121.06503	2.2
121.10144	3.0
123.04454	1.8
123.08099	1.1
127.07558	1.4
129.06998	1.7
131.08572	2.1
133.06516	4.7
133.10136	3.0
135.08067	3.1
135.11688	3.2
137.06061	0.8
137.09622	5.8
141.06976	1.2
143.08600	2.7
145.06499	5.8
145.10138	1.3
147.08055	6.1
147.11769	1.0
149.09653	3.7
155.08586	1.2
156.09355	0.8
157.06516	1.5
157.10147	1.9
159.08081	2.6
159.11710	1.1
161.05975	4.0
161.09624	1.9
163.07561	100.0
167.08548	0.9
170.07262	1.4
171.08069	6.1
171.11723	1.8
173.09702	1.9
177.09114	4.1
179.08542	1.0
179.10663	2.5
182.10806	0.8
183.08023	1.8
185.09663	4.7
187.07584	0.9
187.11177	2.5
189.09163	1.6
189.12772	3.3
195.07982	1.4
195.11723	1.2
197.09644	2.4
199.11229	1.9
201.12663	0.8
203.10732	3.7
208.08954	0.9
209.09676	1.3
209.13232	1.3
211.11276	1.6
213.12822	1.8
222.10388	2.0
225.12808	3.4
227.14348	4.6
229.12280	1.8
237.12833	3.3
241.12190	1.1
245.15468	2.6
255.13815	2.3
255.17465	1.1
259.13428	4.1
269.18991	3.9
273.14914	8.5
274.30426	1.0
279.17429	4.6
287.20157	1.4
297.18561	10.6
315.19577	63.1
316.28613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41426	0.7
55.01864	1.5
55.05512	1.1
56.96565	73.0
57.03425	2.8
57.07088	0.7
57.82465	0.7
59.04991	0.9
61.02933	4.3
64.29937	0.7
67.05495	3.4
69.03429	8.0
69.07075	1.5
70.06602	3.8
70.98122	33.7
71.04992	1.2
71.51888	1.2
71.95274	5.2
72.08141	2.0
72.56328	0.7
73.02919	6.3
74.97607	1.0
79.05497	6.3
81.03415	3.0
81.07050	3.2
84.08143	3.6
84.96038	5.0
85.02899	12.4
86.09708	5.7
87.04449	1.3
87.98061	0.7
88.99165	10.7
89.00792	1.1
89.03927	3.7
91.03931	1.3
91.05454	3.9
93.07040	2.3
95.04977	2.6
95.06106	0.7
95.08598	2.2
97.02895	8.2
98.97584	100.0
99.04453	2.0
99.97928	2.0
101.06052	0.7
102.96892	1.5
103.05466	1.6
105.07036	2.5
107.00208	2.4
107.04970	1.8
107.08602	2.2
108.08097	2.3
109.02884	2.0
109.06527	4.0
110.97584	9.7
112.99136	0.9
115.00687	1.3
115.03934	0.9
116.01102	0.7
116.07072	0.9
116.98621	44.8
117.03360	2.2
119.01834	3.8
119.04970	1.9
121.02758	0.7
121.06500	4.9
123.01204	0.8
123.08098	1.6
124.95524	0.9
124.97570	0.8
124.99129	3.4
127.00668	1.4
127.03909	3.7
128.02293	1.6
128.98619	12.1
130.93335	2.3
131.00140	1.2
133.01680	0.9
134.99672	13.1
135.04385	4.7
136.04800	0.9
136.06117	1.4
136.07578	22.9
137.05966	12.5
138.06332	1.0
139.07596	1.2
140.00258	1.3
140.98642	1.3
141.02234	1.4
142.96480	0.9
143.00195	3.7
143.01860	1.1
144.98085	1.3
145.01688	2.6
145.02957	2.4
145.04965	1.2
146.99654	15.7
147.03311	0.9
147.04434	2.1
149.01202	1.5
149.05998	1.3
151.07405	0.9
152.07072	1.9
152.98555	0.8
153.00658	1.4
153.40416	0.7
154.03874	7.3
154.08643	15.6
154.93297	1.1
154.96506	12.4
156.03484	1.0
157.01649	1.7
158.01276	2.3
158.99673	10.0
159.03316	1.2
160.00105	0.8
160.06535	1.0
161.01215	3.8
161.02852	1.5
162.98994	1.0
163.02599	1.6
163.03909	23.6
164.04207	2.4
164.07106	3.2
165.00732	10.0
165.07407	2.7
167.07047	1.4
170.96016	2.3
170.99628	1.7
171.01021	1.0
172.04877	0.7
172.94406	5.4
172.97591	46.7
173.01106	1.3
173.02654	0.9
174.04474	1.1
174.99153	3.1
175.02762	1.7
177.00719	6.5
177.02275	1.1
179.54918	0.8
180.00269	0.8
182.99603	1.0
185.01257	2.8
186.01622	0.9
186.04306	0.9
186.99150	2.3
187.02827	1.5
187.04460	1.1
188.97014	4.1
189.00772	2.9
190.95477	3.3
190.98636	69.6
191.02196	1.5
191.03912	1.3
192.98737	1.0
193.00285	1.8
193.04860	1.7
196.01288	1.7
197.01160	1.7
197.04808	1.8
197.06566	1.2
199.02693	1.3
200.97041	4.8
201.00697	1.9
202.98630	1.9
203.02249	2.7
204.02713	2.0
205.00211	12.0
205.01950	1.7
205.05424	0.8
206.07031	2.8
206.98122	1.6
207.01738	1.3
208.99699	10.4
210.54485	0.9
214.00250	2.0
214.95413	2.6
214.98627	7.9
215.02083	1.7
215.04013	1.4
217.05489	2.0
218.98163	22.5
219.01614	6.8
219.03386	1.0
219.05251	0.9
220.99707	2.3
223.01215	8.8
224.08093	3.4
225.58017	0.9
226.02470	1.3
226.05971	11.7
226.56299	1.6
229.04300	2.2
230.04240	1.3
231.01875	0.9
232.96420	6.5
232.99687	62.1
235.02759	2.6
235.06462	9.0
236.99164	6.3
237.02747	5.0
241.03920	2.2
241.99916	0.9
242.04037	1.0
242.98242	1.2
243.01749	0.9
244.03157	1.2
247.01199	3.8
249.02769	2.0
250.97708	2.0
251.00739	32.2
255.03674	0.9
256.01276	2.1
256.05197	2.5
256.96390	12.7
256.98920	1.1
257.06918	2.0
260.99197	1.5
265.02307	1.5
266.56287	0.8
267.03845	2.8
267.06509	0.9
269.01764	2.3
273.06384	1.0
274.02380	1.2
274.06073	2.1
274.97549	70.6
275.00684	9.1
275.08017	2.2
279.00891	0.9
279.03928	2.5
286.04553	1.4
286.97525	0.9
291.97650	1.2
292.98590	31.8
293.01871	8.7
297.99088	2.2
302.05386	1.2
311.03073	1.1
315.61801	1.3
316.08069	12.8
316.13840	17.2
317.01859	1.1
334.08841	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	316.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96728	0.3
55.05511	0.8
56.58875	0.3
69.03414	0.4
69.40032	1.8
69.40435	0.7
72.08162	0.5
79.05502	0.4
79.58797	0.3
81.07094	1.4
81.07502	0.3
83.08596	0.3
84.08157	0.4
85.02920	0.7
86.09686	0.5
97.05257	0.6
98.06060	0.8
106.92226	0.3
108.08125	0.6
109.06521	1.4
110.06050	0.8
110.28546	0.3
111.06872	0.6
117.66756	0.3
124.07602	0.3
126.09193	1.2
139.06291	1.0
154.08644	100.0
155.08961	0.6
224.08055	0.4
256.10626	0.3
266.09326	0.3
284.10098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.285
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03956	0.3
55.01881	0.4
55.05517	4.8
56.05042	4.3
57.03459	1.0
57.07080	3.0
58.02964	0.5
58.06600	0.3
58.70335	0.2
60.04531	100.0
63.46509	0.2
65.03954	0.3
67.05510	8.2
68.05042	0.8
69.07075	4.8
69.83403	1.0
70.02963	0.3
70.06615	1.3
71.05017	0.3
71.08617	1.0
72.04520	2.3
73.02927	0.5
74.06084	2.1
79.05505	3.7
80.05035	0.8
81.03426	0.4
81.07063	8.1
82.06588	1.3
83.04984	0.4
83.08624	3.6
84.08151	0.4
85.10196	0.6
86.06067	0.5
87.04466	1.5
88.07648	0.4
90.05548	1.3
91.05486	2.8
92.94646	0.2
93.07056	3.5
94.06587	0.9
95.04993	0.4
95.07327	0.3
95.08615	7.8
96.08149	0.8
97.06538	0.8
97.10181	1.9
98.06065	0.5
100.07621	0.5
102.09221	0.3
105.07050	1.5
107.08605	2.2
108.08120	0.5
108.35385	0.2
109.10155	2.6
110.09745	0.2
111.08091	0.3
111.11749	0.7
112.07625	0.8
114.09157	0.3
116.07106	0.6
119.08603	1.7
121.10174	1.7
122.09736	0.5
123.11712	1.1
126.09184	0.2
133.10161	0.9
135.11722	1.0
137.13271	0.3
147.11717	0.4
149.13257	0.3
154.12387	0.2
161.47530	0.2
178.21866	0.2
197.11732	0.3
200.88554	0.2
212.23691	0.6
219.21056	0.4
236.23734	0.3
238.25394	0.3
245.22649	0.6
250.25249	1.2
251.23814	0.5
256.26416	0.6
262.25403	1.6
263.23721	0.3
268.26376	0.8
280.26376	11.4
290.47894	0.2
298.27429	13.9
299.20346	0.2
299.27295	0.2
316.28479	53.8
317.06723	0.3
317.21198	0.3
317.28674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
53.06487	1.6
54.40797	1.6
55.01868	4.6
61.02909	3.0
65.03934	3.2
67.05502	20.2
69.03428	7.0
69.07047	5.3
69.54570	9.7
71.01361	8.5
71.05003	1.7
79.05487	19.0
81.03409	5.7
81.07064	11.9
83.04986	5.6
83.93029	1.6
84.08147	2.4
85.02914	14.4
87.08084	1.8
91.05485	50.8
93.07045	25.6
95.04960	8.3
95.08595	7.3
97.02898	5.5
97.06533	3.0
103.05469	14.3
105.03395	3.2
105.07027	4.5
106.56872	1.7
107.04948	3.2
109.02898	4.2
109.06499	10.7
111.04406	2.2
119.04942	37.9
121.05678	3.0
121.06509	42.8
121.07389	2.5
123.03702	1.7
123.04436	11.9
127.03905	2.8
131.04880	2.8
135.08060	2.0
137.05988	85.6
137.09666	4.9
139.07565	2.8
140.04643	2.0
141.05461	1.9
145.04880	2.0
147.04419	33.0
149.05977	17.8
151.07530	5.2
155.07039	7.7
155.10660	14.9
161.06023	4.4
163.07462	2.9
164.07053	2.6
165.05470	22.4
167.07054	38.5
175.03879	4.1
175.07573	2.4
183.06502	5.9
193.03304	3.8
193.04976	57.9
195.08098	1.8
211.06020	100.0
231.04926	2.1
287.12689	7.2
299.12634	6.2
302.04190	6.1
317.06586	7.1
317.12012	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	317.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01867	4.1
55.05492	1.9
56.96302	2.0
56.96567	27.2
57.03426	4.5
57.07071	1.8
60.04527	1.6
60.95848	4.4
61.02919	2.8
65.03941	1.8
67.05502	9.4
69.03429	7.1
69.89079	2.3
69.89510	3.7
70.06583	3.3
71.01352	1.8
71.05003	1.6
71.95242	1.6
72.08162	5.5
73.02898	4.1
74.97617	2.1
79.05499	29.8
81.03429	2.6
81.07058	13.4
83.04990	2.8
84.04501	4.5
84.08138	10.3
84.96035	2.8
85.02901	15.4
85.06538	1.6
86.09711	6.7
87.04468	1.6
91.05494	9.0
93.07053	13.3
95.04960	4.3
95.08614	27.4
97.02902	11.8
97.06532	1.3
98.97588	100.0
100.03992	3.1
102.96880	1.4
103.03957	2.4
103.05468	2.9
105.07036	37.6
107.04935	1.8
107.08551	1.2
109.02905	2.5
109.06509	6.1
110.97575	5.4
111.08073	4.0
112.07609	1.6
115.03918	1.6
115.05453	1.4
116.07074	1.5
116.98627	45.1
119.01790	2.1
119.04932	2.4
121.06514	43.7
123.08073	26.9
124.99088	1.1
127.00804	1.1
127.03929	4.2
128.98613	4.5
129.10277	6.0
130.04953	1.5
130.08650	5.7
131.00186	1.5
131.04884	1.4
133.01709	1.2
133.06502	3.4
134.99658	13.5
137.05986	38.9
137.06992	1.7
139.07542	3.7
140.00133	2.0
140.98634	1.3
141.09113	43.2
143.00148	1.5
143.11815	1.7
144.04373	1.2
145.04965	2.8
145.06485	1.9
146.99588	1.6
147.03247	1.3
147.04340	1.9
147.07761	2.2
149.05988	3.5
151.02484	1.7
151.07539	4.7
153.02122	1.3
154.98360	1.3
155.02763	1.6
155.04681	2.6
155.07057	2.9
155.08163	2.3
157.01883	1.2
157.06511	1.5
158.99655	9.9
159.03293	2.3
159.10181	3.6
161.01225	2.2
161.04715	1.7
161.05994	8.9
163.03918	3.5
164.07095	2.0
165.05597	6.5
167.03833	3.2
167.07068	1.3
168.03635	1.8
168.05440	4.7
168.66653	1.3
170.99658	2.3
173.06041	1.4
174.06738	1.3
175.02835	3.2
175.07599	2.8
177.00711	7.1
177.05672	1.4
179.06943	2.4
180.05457	3.5
185.04794	19.3
186.04289	1.5
187.04449	3.0
189.00658	2.0
189.04190	2.3
189.05902	5.1
197.01109	1.9
197.04834	8.8
201.00771	1.7
203.05656	14.3
211.02821	1.3
215.02278	1.8
215.05891	9.3
217.03851	3.1
219.01810	5.8
221.08232	1.4
223.05449	1.2
227.06027	4.5
233.06813	6.1
236.07373	2.0
237.02852	5.6
237.58488	2.9
237.60570	2.0
238.05847	2.6
238.07774	2.3
238.09761	3.8
239.05872	5.7
239.08356	2.5
243.16222	1.2
245.08228	1.9
256.86206	1.2
257.06967	73.6
259.10175	3.1
263.09167	4.9
275.08026	81.0
276.08249	1.5
281.10248	1.9
289.83292	1.3
298.09607	3.4
299.11536	1.4
302.04187	5.8
317.06482	7.1
317.12076	7.3
317.15210	1.4
317.21793	3.3
319.07123	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1021
Annotation	Teucrol
Peak:m/z	Relative Intensity
53.03940	0.8
55.01882	1.4
65.03948	0.8
65.39462	0.7
67.05490	3.1
69.03423	0.9
69.07059	0.8
70.06599	1.0
70.53020	2.2
71.04974	0.9
79.05482	3.3
81.03410	2.1
81.07059	6.4
84.08150	1.0
85.02914	1.5
86.09715	3.6
87.10062	1.6
89.03936	5.7
91.05496	5.8
93.07005	1.5
94.04199	1.2
94.16783	0.7
95.04960	2.1
95.08617	3.9
97.02893	1.0
97.06532	5.2
103.54546	0.7
105.07065	1.2
106.48560	0.8
107.04958	4.1
107.08596	1.4
109.02887	3.4
109.06527	6.5
109.10155	2.1
111.08083	0.9
117.03399	6.7
119.04928	1.4
119.08576	1.7
120.08124	1.4
121.06478	0.9
122.03724	1.1
131.04900	0.9
131.08594	0.8
133.10130	0.7
134.06018	0.8
135.04430	16.0
136.46269	0.8
137.05983	35.4
137.09619	9.5
143.08563	1.0
145.02855	11.2
149.06059	1.0
150.12764	1.2
151.07535	2.3
152.07065	1.8
152.14354	1.5
155.08644	0.9
155.10658	9.2
158.13701	1.5
161.05946	1.7
163.03909	100.0
165.06915	1.0
166.08673	2.7
175.07542	1.7
186.13170	1.5
193.04813	0.7
197.05992	0.9
214.38129	0.9
225.09166	1.0
227.07060	1.8
255.10173	1.1
257.12784	0.9
272.10257	1.0
273.11179	0.8
287.12823	5.8
299.09268	4.0
299.12860	4.5
302.04337	1.7
317.06473	3.8
317.10468	5.5
317.14542	3.6
317.22006	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1236
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
51.55003	1.5
55.01871	3.4
56.96572	12.6
57.03429	2.8
61.02912	4.8
68.99796	2.4
69.03436	7.1
69.57249	5.8
69.57669	4.6
70.06630	1.6
71.01362	3.7
73.02920	3.8
79.05500	4.4
81.03400	4.0
81.07071	8.2
84.06536	1.5
84.08154	9.2
84.96053	1.7
85.02916	27.8
86.09707	4.6
91.05479	7.1
95.08624	3.0
97.02900	8.8
98.97588	26.4
103.03933	6.4
105.07028	5.4
107.05032	2.8
107.08586	3.1
109.02863	3.0
109.06531	9.8
110.97581	3.3
113.44445	1.7
115.05475	3.5
116.98624	6.3
119.04945	2.4
121.06548	1.8
123.04442	1.6
123.08091	1.9
127.03899	8.3
128.06245	1.7
128.98627	2.9
129.07005	2.6
129.10239	2.9
133.06520	11.1
135.08014	1.6
137.05992	100.0
145.04916	3.0
146.99626	1.7
147.04428	3.9
147.08025	2.5
149.06015	3.7
151.07562	11.1
155.04617	1.5
155.07022	1.7
157.06505	4.2
157.13315	2.0
158.99675	5.5
160.05235	2.8
160.51675	1.7
161.06003	32.3
164.05099	1.6
165.05502	10.0
170.03334	1.6
173.05998	6.0
174.06781	2.1
175.07629	9.2
177.05455	2.8
179.07002	12.3
185.06010	5.7
187.04329	2.7
189.05626	3.1
191.07181	2.0
201.00865	3.0
203.07039	22.0
208.45705	1.8
211.02742	4.0
217.08665	2.3
219.01740	6.4
221.08144	3.3
227.06915	7.7
229.03816	2.6
233.08141	2.1
236.07343	6.6
237.02866	2.0
245.08141	4.8
263.09219	13.7
274.97626	4.4
275.08185	3.8
292.98779	2.4
309.08359	1.9
317.06024	2.1
317.11511	2.0
317.13907	9.5
317.21899	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	317.1595
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.03933	1.2
54.17891	0.8
55.05482	0.9
57.03416	2.6
59.04995	1.2
61.02919	5.0
66.23450	0.8
67.05489	3.7
69.03435	12.3
69.70895	3.5
71.04992	1.8
73.02911	2.1
79.05482	1.3
81.03442	5.4
81.57012	0.9
85.02904	29.9
87.04427	1.2
87.08549	0.9
91.03937	2.0
91.05467	1.6
93.07042	13.5
95.08610	41.3
97.02889	9.9
99.04462	1.9
109.02869	3.7
109.10159	1.9
110.05373	0.9
119.08555	1.4
127.03909	6.9
137.06029	1.2
137.09641	5.7
145.04964	5.1
155.10667	100.0
184.83202	1.0
248.15018	0.9
291.00385	1.0
317.12466	1.0
317.15927	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	317.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01861	3.2
55.05491	1.4
57.03425	4.3
57.32227	0.9
58.01524	1.0
58.65577	1.0
59.04995	1.2
61.02938	5.7
61.03178	1.0
67.05499	2.8
69.03431	15.0
69.07080	4.8
69.42302	0.9
70.06575	1.0
71.04978	2.9
71.12346	1.8
72.08183	1.3
73.02905	3.5
79.05080	1.8
79.05500	25.2
81.03423	7.2
81.07048	5.4
83.04982	6.8
84.08158	1.5
85.02911	38.8
87.04465	2.9
88.55821	1.0
91.03950	1.6
91.05498	6.9
92.06229	1.0
93.07058	10.7
94.04188	3.0
95.04958	3.7
95.08608	10.7
97.02894	13.2
97.06535	2.3
99.04437	2.4
103.03939	1.2
103.05475	7.1
105.07039	48.6
107.04960	2.0
107.08611	6.4
109.02870	4.0
109.05811	1.7
109.06525	26.7
111.08068	3.2
119.04971	2.4
121.06499	6.7
122.03616	3.1
122.07274	1.3
123.08084	8.2
127.03908	9.8
131.04936	5.8
131.08611	1.0
131.27556	1.1
133.06473	1.0
135.08028	3.0
137.05992	58.0
137.09624	70.6
139.11188	14.1
145.04956	6.7
145.06375	1.4
147.08047	2.7
147.44525	0.9
149.06029	1.8
149.51125	0.9
151.07556	10.5
153.09113	1.8
154.08563	1.4
155.06898	3.0
155.10681	100.0
161.05952	3.4
163.07590	8.3
164.07021	1.2
165.09100	3.4
167.07021	2.4
167.10776	1.0
175.07533	3.6
177.09109	1.4
181.08623	2.5
185.04221	2.0
185.09607	1.3
191.90602	1.0
193.08606	2.3
195.08072	3.1
203.05383	1.2
207.10158	2.1
213.09056	1.7
223.07663	1.1
226.59186	1.2
227.10767	2.1
237.11310	1.9
240.07765	1.8
249.11292	1.6
253.08505	1.3
267.10114	2.0
272.10367	2.9
281.25937	1.2
287.10040	2.0
287.12830	13.6
299.12820	15.4
301.16339	1.0
302.04086	2.3
317.06454	2.1
317.11987	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	317.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18795	0.4
50.50902	0.4
53.03929	1.6
55.01862	2.0
55.05524	0.8
56.68522	0.6
57.03440	2.5
59.04983	1.0
61.02923	5.5
67.05506	5.7
69.03431	14.8
69.07072	2.6
70.06584	0.5
70.65810	0.8
70.66145	1.1
71.04998	2.5
73.02921	2.6
79.05495	2.8
81.03419	6.3
81.07025	1.6
85.02905	32.8
87.04458	2.2
91.03952	2.7
91.05474	2.6
93.06490	0.8
93.07044	13.5
93.61557	0.5
95.08609	42.2
97.02890	9.8
98.20838	0.6
99.04457	3.6
100.26174	0.5
109.02872	3.8
109.06490	1.1
109.10159	1.7
111.37929	0.5
115.07581	0.9
116.55570	0.5
118.34866	0.5
119.08578	1.5
119.94040	0.5
121.06554	2.6
125.09608	1.0
127.03922	7.7
137.05998	4.0
137.09619	6.6
145.03886	1.0
145.04953	7.4
147.04427	0.5
151.07472	0.6
155.10669	100.0
156.11078	0.7
209.93431	0.5
302.04285	1.0
317.06653	0.9
317.12015	1.7
317.15936	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
50.87149	0.3
55.05519	4.1
67.05498	0.3
69.07076	0.5
69.37640	0.9
69.38050	1.5
81.07047	1.2
83.08617	1.9
86.00862	0.4
87.02238	0.3
88.07652	0.6
91.05485	0.8
93.07048	0.6
95.08608	0.9
97.06448	0.3
98.20733	0.3
99.08092	0.7
101.06020	0.6
105.07039	0.9
107.04944	0.5
107.08565	0.7
109.10170	0.4
111.04448	0.6
119.08611	0.4
121.06503	0.4
121.10131	0.5
131.08578	0.8
132.10231	0.5
133.06508	3.9
143.06050	0.4
145.06496	1.7
145.10077	0.4
147.08084	2.0
149.09639	0.5
150.11247	0.5
157.06485	0.4
158.07407	0.3
159.08063	4.2
161.05978	2.8
161.09631	1.2
163.07573	2.7
163.11176	0.9
171.04347	0.3
171.08031	1.7
171.14041	0.3
172.08871	0.4
173.06036	0.7
173.09613	0.9
174.06779	0.4
175.07574	3.2
175.11211	3.6
179.08569	0.4
183.08078	0.9
187.07558	15.0
187.11104	1.5
188.08307	1.1
189.09087	2.9
189.12701	0.9
197.09587	1.9
199.11192	0.9
201.09056	1.7
201.12729	2.1
203.10674	32.8
204.11259	0.4
205.12230	0.9
213.09157	0.6
213.12793	1.7
214.10002	0.5
215.10693	2.3
215.14287	1.0
217.12288	2.3
227.10683	1.5
227.14294	0.6
229.12234	14.2
239.14301	1.2
243.13861	0.6
256.14603	0.7
257.15302	2.4
257.18961	1.6
275.16422	1.0
302.04141	0.5
317.21118	100.0
318.21689	1.7
318.30017	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	317.2114
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
53.40923	0.3
53.71552	0.2
55.05500	0.6
57.83547	0.3
60.61161	0.3
67.05491	1.1
69.03442	0.3
69.07064	1.2
69.33504	0.7
69.33925	1.4
79.05486	0.6
81.07058	1.3
83.08622	0.6
85.06535	0.5
91.05476	1.0
93.07042	1.5
93.07576	0.2
95.04993	0.4
95.08598	3.1
96.45757	0.3
97.06519	0.3
105.07049	1.3
107.04952	0.8
107.08595	1.1
109.06512	0.4
109.10163	1.1
111.08068	0.8
116.80556	0.2
117.07029	0.3
119.08580	1.3
121.02859	0.6
121.06503	1.1
121.10155	2.8
123.08091	0.3
131.04887	0.4
131.08563	0.8
133.06490	1.6
133.10104	0.5
135.08096	0.6
135.11667	0.7
137.06003	1.2
143.08534	0.4
145.06505	0.5
145.10135	0.5
147.04399	0.3
147.08060	3.9
147.11682	0.9
149.09622	0.6
151.07555	1.0
155.08606	0.4
157.06407	0.4
157.10130	0.3
159.08041	2.0
159.11722	1.0
161.06023	1.6
161.09607	0.9
161.13214	0.5
163.07552	7.1
163.11206	0.9
165.07014	0.3
168.00539	0.5
169.10004	0.3
171.06644	0.5
171.08044	5.1
173.09619	1.7
173.13142	0.3
175.07571	0.3
175.11212	0.8
179.08536	0.4
183.08086	0.8
185.09618	0.7
185.13235	0.4
187.07629	0.4
187.11230	0.6
189.09148	1.1
189.12723	0.7
191.10680	0.5
197.09712	1.2
198.10468	1.5
199.11182	0.7
201.08965	0.3
201.12737	0.6
203.10641	3.5
205.12259	1.0
211.11250	0.3
213.12747	14.7
215.10718	0.6
215.14360	0.7
217.12157	0.4
223.11250	0.3
227.14278	0.8
229.12138	0.4
231.14047	0.3
239.14355	1.1
242.10402	0.3
257.15427	0.7
271.20776	0.3
275.16455	9.9
281.18961	0.4
299.20148	0.7
302.04276	1.1
317.06625	2.1
317.14960	2.7
317.21130	100.0
318.21530	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27754	1.1
53.03933	2.7
55.01870	3.1
56.83797	1.1
57.03428	5.4
61.02937	10.8
68.45309	1.1
69.03435	18.4
69.78490	4.1
69.78899	2.5
70.06581	4.1
71.04980	1.4
72.08161	1.8
73.02905	4.6
74.45106	1.2
80.31457	1.1
80.81749	1.2
81.03423	8.3
83.65894	1.0
84.08167	1.9
85.02911	100.0
87.04456	2.4
91.03967	7.8
91.05472	3.3
93.07037	3.3
96.08263	1.3
97.02898	23.8
99.04447	5.5
102.55389	1.2
103.05458	2.9
109.02888	9.5
121.06518	85.9
127.03934	20.1
128.66577	1.3
131.08539	1.5
137.05997	6.2
137.42641	1.2
138.06296	4.1
138.09106	1.8
145.03792	2.4
145.04962	45.6
145.06281	2.1
145.06520	2.8
151.07527	1.6
156.10168	2.5
159.08087	2.4
163.06033	12.0
164.07092	2.0
175.07451	1.8
179.07068	3.3
180.08630	4.2
183.08012	1.7
187.07552	18.6
201.09126	2.1
205.08644	12.8
217.08614	1.9
229.08597	6.0
235.09633	2.1
247.09566	6.0
265.10712	4.6
288.13104	2.3
300.13235	2.6
305.37341	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01870	0.4
55.05500	0.7
57.03433	1.3
60.04515	1.0
61.02948	1.5
67.05490	0.9
69.03434	4.9
69.07071	2.9
70.03752	0.4
70.06579	0.7
70.07413	0.6
70.52873	0.6
70.53225	0.7
71.04998	0.8
72.08155	1.0
73.02937	0.8
79.05509	0.4
81.03406	1.5
82.02956	0.4
82.06566	0.7
84.08149	0.8
85.02911	8.8
86.09708	2.4
87.04458	1.1
87.05598	0.4
91.03965	0.6
91.05480	1.3
92.05809	0.6
93.07055	1.8
95.08587	1.8
96.04505	2.8
96.08127	1.6
97.02889	3.5
97.05284	2.2
97.06536	1.0
98.21505	0.4
99.04462	0.7
100.07611	1.4
103.03855	0.3
108.08104	0.4
109.02876	1.6
109.06474	0.9
110.06056	5.5
110.09685	3.1
111.08078	0.7
115.07557	0.5
116.07903	0.4
120.08082	1.1
121.06514	5.6
125.08426	0.6
126.09161	7.7
127.03931	1.9
137.05994	2.0
138.06403	0.7
138.09146	20.8
139.07530	1.7
145.04974	1.4
151.03951	0.5
152.10760	0.5
155.10641	0.4
156.10208	100.0
157.10632	0.8
159.11290	0.8
168.10162	1.0
170.57761	0.3
173.12871	1.9
177.05453	0.5
180.10228	0.7
195.47876	0.3
198.11275	1.1
201.12358	0.7
205.08383	0.4
222.60628	0.3
288.13153	0.6
300.13220	0.6
318.15536	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	318.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29023	0.9
53.03933	3.4
53.13638	1.0
55.01860	2.5
57.03450	5.2
60.13671	0.9
61.02937	10.2
69.03435	15.9
70.06590	1.5
71.04987	1.9
71.30234	1.7
73.02911	4.2
81.03429	7.9
85.02914	100.0
86.03230	1.0
87.04465	2.8
91.03966	5.6
91.05480	2.3
93.07053	4.7
95.08602	2.7
96.08931	2.1
97.02898	20.8
99.04452	3.9
103.05457	3.5
109.02892	8.2
121.06518	80.0
127.03933	18.8
145.04977	38.8
145.06207	2.0
151.07544	1.6
155.10703	2.6
156.11151	5.0
159.08067	4.0
163.06039	10.5
175.07585	1.9
179.07121	1.6
180.08684	4.2
183.08183	1.4
187.07578	17.4
205.08626	13.0
229.08679	8.3
235.09698	1.8
247.09627	6.6
265.10721	6.0
282.99631	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0791
Annotation	Flustramine C
Peak:m/z	Relative Intensity
56.96558	6.5
61.02908	14.0
67.38665	4.6
69.03426	10.3
69.65446	30.3
73.02930	8.2
81.29462	5.4
85.02883	23.5
88.50130	5.9
97.02870	7.5
98.97572	29.3
101.00826	8.0
110.97543	11.4
119.01779	9.3
124.19665	4.9
128.02325	8.8
128.98595	10.4
132.00861	5.6
145.03465	6.6
148.03870	7.5
155.01807	9.2
158.99657	10.9
183.02422	5.3
203.03882	7.0
213.03394	22.0
220.04134	13.1
221.04915	6.7
229.04594	10.6
230.70079	5.0
245.06395	10.7
286.13239	5.8
319.07770	100.0
319.10327	50.6
327.28427	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	319.1178
Annotation	Evofolin B
Peak:m/z	Relative Intensity
53.03959	1.0
55.01872	0.8
65.03946	1.6
67.05523	1.9
69.57246	1.1
69.57645	3.4
71.82957	0.7
78.41249	0.7
79.05492	0.8
79.52065	0.6
81.03409	0.9
81.07056	1.1
85.02915	0.8
86.09703	0.7
89.03937	2.2
91.05503	1.7
95.04996	2.0
96.08148	2.3
103.05505	1.4
106.04224	0.8
107.04959	1.3
108.02143	1.9
109.02914	1.1
111.04468	0.9
117.03416	1.8
121.06522	3.2
122.03632	0.9
123.04443	0.7
124.07602	7.5
134.03612	1.6
135.04306	0.7
137.05966	5.5
141.05492	1.5
142.53041	0.7
149.05984	67.3
151.03914	84.5
151.05025	9.4
151.07512	2.2
152.06181	1.2
153.05603	1.3
153.06987	6.8
161.05977	1.2
164.07095	0.6
165.06850	0.8
166.05054	1.4
167.07088	1.0
167.08499	0.8
177.05476	100.0
181.06488	9.9
182.04457	0.6
195.08012	1.3
197.05942	0.6
198.06781	1.3
209.05972	2.6
213.09077	6.4
226.06050	0.6
228.44176	0.6
241.08565	7.5
243.06528	0.6
254.05617	0.7
255.11043	1.0
269.08069	2.3
271.10568	0.7
273.08243	0.8
273.11209	16.6
283.10052	2.2
301.10706	12.6
319.12979	6.8
319.16437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1179
Annotation	Evofolin B
Peak:m/z	Relative Intensity
53.03944	1.6
53.86310	0.6
54.84809	0.7
55.01870	1.1
55.05502	0.7
61.00159	0.6
65.03925	1.9
65.04239	0.7
65.65877	0.6
67.05491	2.3
69.03436	1.1
69.07063	0.8
69.23434	6.4
71.05007	1.3
79.05463	0.9
81.03423	1.5
81.07051	1.3
83.04977	1.0
84.08147	1.2
85.02887	2.3
89.03921	2.3
91.05473	2.7
95.04967	2.1
95.08647	0.8
97.02905	0.8
97.06564	0.8
99.04427	1.3
107.04942	1.0
108.02094	2.1
109.02836	1.4
111.04503	1.0
117.03402	3.0
120.08047	0.7
121.06519	4.4
121.10136	0.8
122.06865	1.0
125.06019	1.0
127.03925	1.0
129.45766	0.7
134.03662	1.1
135.04420	1.6
136.07516	0.7
137.05989	6.3
137.87317	0.7
139.07497	1.1
139.11220	1.0
141.05435	1.6
147.04433	1.5
149.05992	65.9
151.03925	81.1
151.05045	9.7
151.07552	2.3
152.06134	1.3
153.05507	1.2
153.06990	7.5
157.08626	0.9
157.12207	0.9
161.06053	1.0
164.06982	1.0
165.05487	0.7
165.06981	1.1
167.07133	0.8
170.07140	0.7
177.05479	100.0
178.05966	0.7
181.06502	9.1
195.06480	0.8
195.08081	1.0
197.05923	0.8
198.06712	1.6
209.05959	3.6
213.09074	5.8
223.07544	1.1
226.06320	1.2
241.08572	7.2
254.05809	0.6
255.11415	0.7
269.08087	2.6
269.21536	0.6
273.11221	16.5
283.09946	2.2
301.10757	12.6
319.12662	2.2
343.42181	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85578	0.6
57.15087	0.5
65.03945	4.2
67.05492	1.6
69.64319	2.7
69.64729	1.5
79.05485	0.9
80.05002	1.0
81.03419	1.1
81.07053	0.8
85.02872	0.7
89.03913	0.7
91.05463	1.8
92.05025	4.0
93.07019	1.0
95.04987	1.1
98.20808	1.2
100.74969	0.6
103.05464	0.7
105.07018	0.7
108.02057	0.9
108.04469	2.0
110.06000	0.9
110.09605	0.9
117.03365	1.7
120.04465	1.9
121.06510	2.7
123.04446	1.0
123.78138	0.8
123.82249	0.6
124.07602	2.1
127.03935	0.8
132.04436	0.7
134.03664	0.7
135.04454	0.7
136.03952	6.0
137.06001	3.8
138.09148	18.7
141.05402	1.1
149.05991	43.6
150.09169	1.0
151.03917	49.4
151.05034	5.0
151.07555	1.9
152.06204	1.4
153.07004	4.8
154.05009	3.7
155.08563	1.5
157.08873	0.7
159.09163	0.8
164.03398	4.7
167.07372	1.2
167.08574	0.9
170.07330	0.7
174.12729	1.1
176.03375	1.7
177.05479	63.8
181.06505	5.5
182.04501	13.7
182.06033	1.1
182.09703	0.9
184.07661	0.9
184.11215	1.4
185.07066	0.6
186.11450	0.8
198.06602	0.8
199.08722	1.7
199.12212	0.7
200.09415	1.5
201.10280	0.9
201.13884	6.5
202.08643	0.7
202.12161	0.9
209.05968	2.0
209.10689	0.9
210.09222	1.9
211.08633	1.3
211.12254	1.2
212.09059	0.7
212.10774	2.7
213.07088	0.8
213.09126	3.5
214.12242	2.0
226.06081	0.7
227.08195	1.0
227.11853	2.4
228.08733	2.9
229.13368	36.1
230.11774	1.1
238.08575	1.5
239.11801	1.5
241.08606	5.0
255.07927	0.8
255.08446	0.9
255.11293	8.9
257.12860	22.7
258.11185	2.1
269.08154	2.0
272.07867	1.9
273.11398	10.4
283.10782	9.9
284.09213	13.4
290.09024	1.2
291.13437	1.5
301.11810	23.1
319.12900	100.0
320.13248	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.5
65.03932	2.7
67.05502	0.9
69.07072	1.1
69.27747	1.1
69.28171	2.0
76.00632	0.4
79.05482	0.8
79.15609	0.4
80.05019	1.5
81.07063	0.4
85.02885	0.4
92.05007	4.3
93.03415	0.4
93.07056	0.4
95.04955	0.4
96.08138	0.7
103.05431	0.5
106.06532	0.8
108.04508	1.4
110.06019	0.8
110.09672	1.0
117.07001	0.7
118.25507	0.5
120.04473	1.6
122.06075	0.5
124.07594	2.0
124.80804	0.4
125.08389	0.8
129.07013	0.6
130.06581	0.5
131.08467	0.5
134.50113	0.4
136.03935	6.7
137.05994	0.9
137.39252	0.5
138.05524	0.7
138.09143	19.2
142.07785	0.5
144.08119	0.9
149.05975	8.6
150.05469	0.5
151.03922	9.2
151.05037	0.9
153.07011	1.3
154.05000	3.0
154.06335	0.9
155.08530	1.5
156.08090	0.9
158.09612	0.6
159.09212	0.7
159.11696	0.8
164.03436	4.9
167.07277	1.3
168.08058	0.6
169.07492	0.4
169.08893	1.2
170.06018	0.5
170.08392	0.5
171.10425	0.8
172.11226	0.6
173.10791	0.5
174.12814	1.4
176.03456	1.8
177.05482	11.7
178.13951	0.5
181.06458	1.1
182.04500	14.9
182.05945	0.8
182.09641	1.2
183.08005	0.6
184.07652	0.6
184.09834	0.7
184.11249	2.3
185.07095	0.7
186.12805	0.6
195.06754	0.6
195.09268	0.6
196.09946	1.0
198.07832	1.0
198.09425	0.6
199.08606	2.1
199.12355	0.8
200.09416	1.3
201.10153	0.9
201.13890	7.5
202.12202	0.7
209.10744	1.2
210.09140	1.3
211.08672	1.2
211.12335	0.8
212.09119	0.9
212.10741	2.4
213.10399	0.8
214.12357	2.0
226.07356	0.5
227.08133	1.4
227.11803	3.2
228.08951	1.3
229.09666	1.4
229.13364	38.2
230.11772	0.9
230.13835	0.6
238.08673	2.0
239.11879	1.2
240.10216	1.4
241.09329	0.5
245.09247	0.6
253.13103	0.4
255.07611	0.7
255.08453	0.7
255.11302	8.2
256.09641	0.5
257.12863	23.3
258.11255	1.3
268.08395	0.5
272.07916	1.7
273.12393	7.0
283.10764	10.0
284.09167	13.8
290.09003	0.9
291.13358	1.9
301.11847	22.8
319.12885	100.0
320.13068	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	319.2269
Annotation	5-OxoETE
Peak:m/z	Relative Intensity
54.67303	0.7
55.05509	5.5
56.96545	0.9
57.07070	1.3
67.05517	3.9
69.03421	0.9
69.06795	0.7
69.07076	7.7
69.51473	5.2
71.05004	7.6
79.05494	3.0
81.07066	7.1
83.04967	1.1
83.08625	3.3
85.06520	0.9
87.08051	0.8
91.05492	6.6
93.07049	5.5
95.04974	1.0
95.08616	10.2
105.06404	1.2
105.07044	11.8
107.08591	8.7
107.31865	0.8
109.06512	2.5
109.09554	0.9
109.10170	8.5
110.60201	0.8
117.07030	5.8
119.08594	16.7
121.06493	4.1
121.10148	3.4
123.08073	0.8
123.11687	3.0
129.07004	1.2
130.07835	0.9
131.08569	13.8
133.10135	18.7
135.08029	2.7
135.11682	1.3
137.09642	1.2
137.13289	1.0
143.08565	4.5
144.09312	1.9
145.10123	12.5
147.08044	3.0
147.11664	8.9
149.09644	2.4
153.09140	3.2
157.10138	4.6
159.08035	1.5
159.11685	3.2
161.09612	5.6
161.13266	4.5
163.07556	8.6
163.11176	2.9
171.11674	6.5
172.12491	1.6
173.13246	6.2
175.11168	6.3
175.14909	1.0
177.12831	1.0
181.08530	1.7
185.13251	4.6
187.14833	100.0
189.12767	19.9
189.14557	1.6
189.16385	32.5
197.13225	1.8
199.14865	1.2
201.16444	1.6
203.14227	1.6
203.17989	4.5
204.13020	0.8
213.16335	5.9
215.14288	2.5
217.15733	1.0
231.17456	67.3
233.15430	5.8
241.19496	4.7
249.18427	3.9
255.21100	3.0
259.20596	35.1
260.20914	1.0
273.22141	2.1
283.20599	1.7
301.21634	32.5
319.19174	1.3
319.22696	23.0
319.30298	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.227
Annotation	5-Hepe
Peak:m/z	Relative Intensity
53.03940	5.2
55.05515	14.4
57.03414	3.9
57.07064	6.0
67.05511	32.5
69.03426	5.0
69.07067	22.8
69.46928	19.6
71.08637	4.4
79.05495	29.0
81.03399	3.5
81.07059	100.0
83.01367	3.4
83.04957	4.7
83.08618	9.0
91.05482	31.8
93.07047	82.9
95.04958	9.6
95.08612	76.6
97.06535	6.8
97.10151	9.8
99.92751	2.9
105.07035	74.4
107.04965	3.6
107.08587	59.8
109.02898	6.0
109.06477	4.5
109.10153	38.7
111.04467	4.5
111.08070	8.6
117.07047	11.9
119.08583	53.8
121.06511	6.5
121.10143	61.9
123.04454	4.0
123.08064	7.3
123.11725	20.0
125.05979	3.0
128.06258	3.5
129.07004	5.2
131.08559	17.7
133.10132	39.4
135.08026	7.2
135.11682	22.2
137.05992	6.6
137.09602	7.4
139.07532	10.1
141.09120	4.1
142.07848	3.3
143.08551	15.1
145.10146	24.6
147.08078	5.6
147.11685	31.6
149.05992	7.4
149.09657	5.1
149.13272	70.9
151.07526	6.8
151.11200	6.5
155.60490	3.3
157.10135	11.8
159.08087	3.8
159.11678	28.0
161.09625	5.2
161.13264	41.0
163.07565	3.8
163.11136	4.4
163.14836	28.8
165.09094	21.8
167.10660	3.8
171.11703	9.0
173.13313	20.1
175.14819	12.1
177.05659	4.6
177.09090	4.3
177.12811	4.9
177.16446	5.9
185.13208	18.9
187.14839	7.3
189.09058	3.2
189.12695	5.6
189.16379	45.6
191.10680	7.2
195.11655	4.0
199.14851	13.8
201.16374	4.6
203.17955	17.8
205.12300	8.9
209.13229	4.8
213.08818	3.0
213.16438	8.2
215.17979	8.6
217.12164	3.5
225.98546	3.0
227.14331	5.3
227.17863	5.6
229.19562	7.3
245.15442	5.9
255.21071	41.4
265.19409	4.2
267.04279	2.8
273.22141	16.8
283.17841	3.4
283.20544	21.9
289.21661	9.1
296.00043	3.3
301.18283	6.6
301.21585	58.2
312.30270	3.2
319.13196	10.8
319.19205	5.5
319.22714	55.8
319.26337	4.5
319.30032	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	320.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	12.8
57.63834	2.6
61.02915	4.3
65.92740	2.5
66.07740	2.6
69.03423	3.2
73.02928	5.3
84.96030	2.9
85.02908	5.1
98.97588	100.0
101.73129	2.8
102.05569	3.0
110.97566	10.3
116.98619	24.6
124.99161	6.7
128.36282	3.0
128.98599	8.7
134.99637	6.2
140.00220	4.5
140.02293	7.0
140.98573	3.5
141.06572	2.8
143.00162	10.6
143.26996	2.7
158.03397	4.1
158.85895	2.9
158.99661	46.0
161.01178	3.8
166.72165	2.8
170.99687	9.0
177.00713	33.5
186.00972	3.9
189.00694	9.6
201.00452	3.4
204.01855	4.8
207.01718	4.2
219.01740	23.3
221.04941	13.7
222.02846	4.5
230.05458	40.2
237.02835	47.7
249.02914	3.9
255.03932	18.4
279.03909	51.6
297.04935	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	321.1334
Annotation	Cavoxin
Peak:m/z	Relative Intensity
53.03953	3.7
55.01865	4.0
55.05516	4.3
57.71440	2.2
58.32841	2.3
67.05505	32.6
69.03424	7.7
69.07059	3.7
69.79953	11.6
71.04990	3.0
74.32916	2.4
79.05499	20.6
80.61526	2.6
80.94913	2.4
81.03405	9.9
81.07056	23.8
91.05481	22.5
93.07056	31.3
94.06551	9.8
95.04949	6.3
95.07998	2.6
95.08608	48.3
97.06507	3.8
98.21488	4.7
105.07026	8.2
107.04967	5.2
109.02893	6.2
109.06512	14.3
109.10121	2.2
111.08082	5.8
117.03417	5.6
117.07066	3.0
119.04926	7.3
121.06514	23.3
122.06033	28.6
123.04428	9.9
125.05992	2.4
129.07042	4.1
129.91086	2.8
131.04852	3.1
133.06477	2.5
135.04430	5.7
136.07588	59.4
137.05983	79.7
139.07550	4.6
141.06897	3.4
145.02829	7.4
145.06503	2.8
147.04416	26.5
149.05981	46.7
151.07512	8.0
155.08585	4.4
157.06526	3.0
157.10149	2.9
161.05992	14.1
163.03905	13.2
163.07549	3.7
164.05704	5.5
164.07076	100.0
165.05489	83.8
165.06905	5.1
167.07057	5.5
167.08498	5.4
171.08102	2.2
173.05986	11.0
175.07574	4.7
177.05479	20.6
179.06987	2.5
181.04942	7.1
181.06432	2.9
182.08138	78.7
183.08113	3.5
185.08072	4.5
185.09570	4.3
187.07532	8.8
189.05396	11.2
191.07053	11.6
193.10263	2.6
195.08057	5.9
197.06013	2.6
197.09732	3.6
198.06862	3.3
199.07503	4.0
200.08281	3.1
201.09100	7.7
203.06953	2.6
210.06799	3.5
211.07564	14.7
213.09103	53.7
214.06209	3.8
215.07033	6.5
215.10735	19.5
221.09651	4.0
224.08385	2.6
225.09248	3.6
227.10640	4.8
229.08606	19.6
229.12158	14.7
231.10156	21.9
234.90872	2.9
239.10704	33.6
241.08681	16.8
242.05836	2.6
257.08014	14.8
257.11728	45.4
259.09634	12.6
259.14218	4.5
261.08923	3.2
267.10168	4.3
275.09677	5.9
275.12772	99.7
285.11261	25.5
289.08533	4.1
303.12283	39.4
321.13431	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	321.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.7
55.01865	4.0
55.05516	4.3
57.71440	2.2
58.32841	2.3
67.05505	32.6
69.03424	7.7
69.07059	3.7
69.79953	11.6
71.04990	3.0
74.32916	2.4
79.05499	20.6
80.61526	2.6
80.94913	2.4
81.03405	9.9
81.07056	23.8
91.05481	22.5
93.07056	31.3
94.06551	9.8
95.04949	6.3
95.07998	2.6
95.08608	48.3
97.06507	3.8
98.21488	4.7
105.07026	8.2
107.04967	5.2
109.02893	6.2
109.06512	14.3
109.10121	2.2
111.08082	5.8
117.03417	5.6
117.07066	3.0
119.04926	7.3
121.06514	23.3
122.06033	28.6
123.04428	9.9
125.05992	2.4
129.07042	4.1
129.91086	2.8
131.04852	3.1
133.06477	2.5
135.04430	5.7
136.07588	59.4
137.05983	79.7
139.07550	4.6
141.06897	3.4
145.02829	7.4
145.06503	2.8
147.04416	26.5
149.05981	46.7
151.07512	8.0
155.08585	4.4
157.06526	3.0
157.10149	2.9
161.05992	14.1
163.03905	13.2
163.07549	3.7
164.05704	5.5
164.07076	100.0
165.05489	83.8
165.06905	5.1
167.07057	5.5
167.08498	5.4
171.08102	2.2
173.05986	11.0
175.07574	4.7
177.05479	20.6
179.06987	2.5
181.04942	7.1
181.06432	2.9
182.08138	78.7
183.08113	3.5
185.08072	4.5
185.09570	4.3
187.07532	8.8
189.05396	11.2
191.07053	11.6
193.10263	2.6
195.08057	5.9
197.06013	2.6
197.09732	3.6
198.06862	3.3
199.07503	4.0
200.08281	3.1
201.09100	7.7
203.06953	2.6
210.06799	3.5
211.07564	14.7
213.09103	53.7
214.06209	3.8
215.07033	6.5
215.10735	19.5
221.09651	4.0
224.08385	2.6
225.09248	3.6
227.10640	4.8
229.08606	19.6
229.12158	14.7
231.10156	21.9
234.90872	2.9
239.10704	33.6
241.08681	16.8
242.05836	2.6
257.08014	14.8
257.11728	45.4
259.09634	12.6
259.14218	4.5
261.08923	3.2
267.10168	4.3
275.09677	5.9
275.12772	99.7
285.11261	25.5
289.08533	4.1
303.12283	39.4
321.13431	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	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
54.74057	0.6
62.59444	0.5
65.03954	0.7
67.05505	7.4
69.03436	1.3
69.07095	0.6
70.66486	1.1
70.66844	0.6
71.05003	0.7
73.80029	0.6
74.74236	0.5
77.03922	0.6
79.05498	1.5
81.03410	4.9
81.07050	1.3
85.02901	0.8
91.05501	1.2
91.86911	0.6
93.07048	1.6
94.06579	9.8
95.04966	1.0
95.08603	1.1
97.06540	0.7
99.59278	0.6
108.08120	0.8
109.02866	1.6
111.08053	0.7
117.03377	2.1
121.06522	0.7
122.06038	27.2
123.11725	0.8
125.59297	0.6
130.06505	1.3
131.08578	0.6
136.07582	62.3
140.07057	0.7
144.08197	0.8
145.02821	3.0
146.06009	2.0
147.04449	1.6
149.05992	0.7
159.09175	0.8
164.07072	100.0
165.07487	0.8
170.06065	0.7
177.05472	5.5
182.08133	72.8
183.08484	1.0
188.07123	1.3
218.07214	3.3
230.11784	0.7
233.09575	0.7
235.07547	2.1
246.06773	5.3
247.07471	0.8
250.09918	0.9
257.11877	0.8
259.14438	1.4
261.09106	6.5
263.07007	2.0
274.06238	2.4
275.07147	0.8
275.10278	0.7
278.09415	1.6
289.08606	6.0
290.09540	0.9
291.06561	1.4
303.13126	1.1
304.11646	1.1
306.08875	3.9
321.11331	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	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46866	0.8
53.03938	2.2
55.05509	1.1
60.27709	0.9
67.05183	1.0
67.05511	12.9
69.03420	2.6
69.07063	1.0
71.05000	0.9
71.51842	1.1
75.24306	0.7
79.05489	3.3
81.03416	4.9
81.07039	4.5
83.05003	0.9
84.94926	0.7
85.02900	1.9
89.03948	0.9
90.91891	0.7
91.05473	3.6
93.07032	6.6
94.06565	10.3
95.04971	1.4
95.08611	8.5
97.02863	1.4
97.06553	1.1
105.07006	2.7
107.04916	0.7
107.08562	1.1
109.02876	1.7
109.06493	3.4
115.05409	1.2
117.03313	2.1
118.06454	0.9
119.04851	1.2
121.06499	3.3
122.06033	33.3
123.04428	1.3
127.03889	0.9
130.06519	0.8
133.10133	1.0
136.07581	57.7
137.05031	1.0
137.05986	12.1
139.07507	1.0
142.40550	0.8
145.02870	4.9
145.03868	0.8
146.06030	1.8
147.04384	2.7
149.05966	7.0
151.07568	1.6
153.66809	0.7
161.05980	1.9
163.03906	1.7
164.07072	100.0
165.05460	12.4
165.06824	1.1
165.07361	1.0
166.05122	1.0
167.07014	1.0
167.08569	0.9
173.05923	1.9
175.07562	0.9
177.05490	9.7
181.04880	1.1
182.08134	77.1
187.07451	1.1
188.07121	1.5
189.05527	1.6
201.09138	1.5
211.07504	1.2
211.74596	0.8
213.09074	8.6
215.07045	0.9
215.10506	1.7
219.75494	0.8
227.69685	0.8
229.08598	2.9
229.12128	1.7
231.10121	3.0
239.10706	3.2
241.08566	1.4
246.06761	2.1
256.12558	0.9
257.08118	1.9
257.11749	7.4
259.09631	1.5
259.14426	2.8
261.09222	1.1
267.19595	0.8
267.80518	0.8
275.12735	11.4
285.11194	3.3
289.08682	1.7
303.12195	4.8
304.11905	0.9
305.09979	0.9
321.09528	4.8
321.13855	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1545
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
53.03944	1.9
55.01877	2.3
56.96566	9.1
57.03418	1.9
57.07079	4.0
61.02938	2.2
67.05514	14.8
69.03429	3.9
69.61022	9.3
70.06596	4.6
72.08154	7.3
73.02910	2.6
77.03893	1.6
79.05499	45.6
81.03421	1.9
81.07076	12.1
83.04974	3.2
85.02906	13.7
87.04450	1.5
91.05485	4.4
93.07061	17.1
95.04969	5.0
95.08614	46.5
97.02882	4.7
97.07656	3.3
98.06088	3.1
98.21479	3.6
98.97595	30.8
103.05502	2.1
105.07039	76.5
110.96858	1.8
110.97591	5.4
111.08084	5.1
112.07651	2.5
112.99081	1.4
114.09156	3.0
114.10315	15.3
116.98640	5.5
119.55508	1.7
123.08076	46.8
124.99109	2.4
127.03938	2.1
128.98604	3.9
131.00276	2.3
137.06004	2.9
141.02269	2.0
141.09111	100.0
143.00211	2.0
146.99663	1.6
147.04402	2.0
152.04228	3.6
158.99667	19.7
159.10201	10.4
161.04655	9.8
161.08159	11.0
164.07104	12.9
166.00415	2.5
170.99719	2.8
172.57237	2.3
175.01025	3.3
177.00716	7.5
180.05434	4.7
181.01035	2.4
185.04860	4.1
189.00716	2.0
189.06053	4.7
191.03860	2.9
201.00732	2.5
203.05991	2.6
219.01842	10.9
225.05464	1.6
231.08882	3.2
233.06779	6.0
237.02736	3.1
239.05777	1.8
242.07283	15.8
242.48099	1.8
242.57628	2.6
249.63251	1.9
251.05150	5.3
251.55463	2.0
260.05795	4.6
279.03964	5.0
312.11420	1.7
321.10971	3.5
321.14395	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	321.1698
Annotation	Zearalanone
Peak:m/z	Relative Intensity
53.03947	10.9
55.01859	6.9
55.05515	22.3
57.03437	2.9
65.03920	2.1
67.05178	2.2
67.05504	20.8
69.03432	70.4
69.07082	10.2
71.04987	7.2
71.52908	2.5
79.05499	24.4
81.03422	46.7
81.07059	24.5
83.04987	37.8
83.08624	21.5
85.02879	4.7
85.06553	2.8
91.05486	29.4
93.07051	28.8
95.04947	10.1
95.08617	15.6
97.02889	6.6
97.06523	10.8
99.04453	9.3
105.06392	3.0
105.07031	25.1
105.80323	1.6
107.04954	2.8
107.08605	9.2
109.02885	57.1
109.06516	15.6
109.10110	2.4
111.03712	3.3
111.04447	43.1
111.08096	10.1
111.27364	1.7
115.05444	4.4
117.03359	2.2
117.07000	12.1
119.04910	3.1
119.08584	14.0
121.06501	11.3
121.10111	3.5
123.04409	3.0
123.08071	4.0
123.11686	2.0
127.03912	11.3
128.06241	3.0
129.07001	10.4
129.89708	1.7
131.04904	2.0
131.08556	15.5
133.06502	6.0
133.10173	11.8
135.04440	2.6
135.08034	8.0
135.11676	4.9
137.05984	3.0
137.09581	4.7
139.07530	6.8
141.07025	4.1
143.08539	7.3
145.02863	5.7
145.06439	3.4
145.10152	10.6
147.08032	7.2
147.11725	9.4
149.05992	4.5
149.09639	3.3
149.13269	2.5
151.07549	6.2
155.08545	5.3
157.06395	2.0
157.08615	6.5
157.10112	9.9
159.08090	4.7
159.11710	8.3
161.05937	2.2
161.09691	2.6
163.07538	3.9
163.11255	2.0
165.12782	1.7
169.10130	5.1
170.60437	2.1
171.08069	2.7
171.11705	5.6
173.09604	5.5
173.13219	2.1
175.09639	11.7
175.11205	11.6
177.05447	11.2
177.12743	8.2
185.09608	2.8
187.07556	3.3
187.11157	3.1
187.14832	2.0
189.09137	2.6
189.12712	2.7
193.12263	10.4
199.11224	3.2
201.12730	3.4
205.08524	2.6
205.12325	3.9
207.13628	2.4
211.13237	2.2
212.08527	2.1
213.12781	3.2
217.12187	3.2
223.13348	6.8
231.10063	1.8
233.11642	4.1
235.13304	4.8
237.11174	2.0
243.13837	2.9
246.06976	2.1
249.11220	3.2
257.15289	2.5
261.14990	3.3
267.11996	14.8
275.16333	3.4
285.14871	7.2
303.15964	19.3
303.23309	3.3
321.10831	4.5
321.16974	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	321.181
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07054	0.5
69.85177	1.0
69.85588	1.9
70.02633	0.4
72.04530	0.6
79.05444	0.6
83.05045	0.5
86.09708	100.0
87.10043	0.8
91.05472	0.9
93.07060	1.5
95.08572	0.7
103.05463	4.2
107.04958	1.4
120.08109	98.4
121.08403	0.8
128.10719	49.2
131.04930	2.3
135.04449	0.6
149.06001	2.3
156.10210	16.5
166.08646	62.1
177.56372	0.5
203.08554	0.7
231.07997	1.2
259.07629	1.0
260.08057	0.7
263.10706	0.9
276.07837	0.5
289.08594	1.5
291.10010	0.7
321.11237	5.2
321.18808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01862	1.5
55.05515	0.7
56.96567	37.6
57.03443	4.8
60.95821	0.5
61.02923	4.7
67.05517	1.1
69.03434	10.1
69.70712	2.8
70.03769	0.6
70.06577	1.0
70.98123	11.4
71.04982	2.2
71.95280	2.7
72.04494	0.7
72.08155	4.4
72.96055	1.1
73.02572	0.7
73.02924	5.4
74.97613	2.4
75.40364	0.5
79.05075	0.8
79.05501	10.8
80.05832	1.8
81.03405	3.5
81.07052	1.6
83.05000	0.8
84.08145	1.2
84.96033	5.7
85.02908	18.5
85.06548	0.9
86.03245	1.2
86.09677	1.0
86.97606	2.3
87.04462	2.1
88.99169	3.1
91.03974	1.7
91.05492	1.3
93.07035	0.7
95.04977	0.8
95.08575	1.3
97.02897	11.0
97.06562	0.8
98.03210	1.2
98.97588	100.0
99.01132	0.7
99.04454	2.1
99.97927	1.5
100.99146	2.7
101.00883	1.7
102.96894	1.1
103.00671	3.7
105.07049	1.7
107.08602	12.0
108.08927	3.6
109.02893	2.2
109.06541	0.8
110.01286	0.9
110.97575	18.4
111.01468	0.5
112.99133	7.8
114.97047	6.3
115.00671	3.6
115.02437	1.2
116.98623	28.6
117.02148	2.0
119.00201	1.7
119.01856	2.4
119.03762	0.9
121.01642	3.8
121.06561	0.6
122.07152	1.9
123.08093	1.4
124.95463	5.9
124.99136	2.8
125.09624	1.2
126.02586	0.8
126.97075	2.1
127.00675	1.9
127.03926	4.9
128.02393	0.6
128.98611	12.2
129.02240	2.3
130.08618	0.7
131.00160	5.3
131.01828	1.1
131.03702	1.2
131.64380	0.6
132.98103	9.4
133.01683	3.7
133.03435	1.0
134.03545	0.6
134.99655	5.8
135.03195	3.6
137.05968	1.3
138.97137	0.6
139.00658	1.3
139.03395	1.0
139.07559	0.8
140.00179	1.0
140.02248	0.8
140.98602	4.1
141.02242	1.3
142.96527	3.5
143.00165	6.9
143.01926	1.1
143.10681	3.8
144.04825	0.7
144.11047	0.7
144.98106	3.1
145.01653	4.4
145.03461	1.2
145.04941	3.2
146.99654	7.0
147.03207	2.8
148.03908	3.6
148.09726	0.7
149.01233	2.3
149.02821	0.8
150.99149	6.1
152.94934	2.6
152.98611	3.4
154.03914	2.4
154.54178	0.6
154.96548	1.0
155.00137	1.0
155.01819	0.6
156.98120	2.6
157.01642	2.9
157.03514	0.7
158.01239	0.7
158.99661	19.0
159.03226	3.2
159.05058	0.8
160.03876	2.0
160.09702	2.0
160.97647	1.1
161.01208	6.5
161.04628	9.0
161.09998	1.5
161.54655	3.7
162.03636	1.1
162.05315	0.7
162.99158	1.5
163.02766	3.7
163.04366	1.9
164.07072	0.7
165.00800	1.7
168.03618	1.1
169.00363	0.6
169.04285	2.7
170.05141	5.4
170.55356	4.4
170.96013	10.1
170.99657	5.1
171.05292	0.9
172.05669	2.7
172.55893	1.7
172.97632	2.4
173.01270	3.8
173.02644	0.7
173.04752	2.9
174.55167	1.6
174.99162	9.2
175.02760	3.7
175.05275	0.8
176.03487	0.8
177.00726	8.0
177.04240	4.7
178.04953	3.3
178.55170	0.7
179.00526	0.9
179.02217	2.1
179.05908	0.6
180.05452	1.7
180.07732	2.2
181.01706	0.6
181.06293	1.5
181.56279	1.5
182.03297	0.8
182.99675	1.2
183.04109	4.6
184.04991	1.0
184.97543	5.1
185.01276	1.5
185.04819	0.7
186.99130	0.9
187.02803	1.9
187.04387	0.7
188.05289	0.7
188.97093	13.5
189.00697	8.4
189.04346	1.0
189.06017	4.1
189.56017	0.5
190.03200	0.6
190.74481	0.7
190.98666	1.6
191.02293	2.6
191.04007	0.7
191.05881	1.2
192.04778	1.3
193.00223	14.6
193.01920	1.3
193.03801	1.2
195.03397	0.6
197.01219	1.3
197.03000	0.5
198.06586	2.0
199.06439	0.7
201.00703	6.3
201.04362	1.1
202.98634	10.6
203.02278	4.8
203.04016	1.2
203.05849	1.1
204.04607	0.8
205.00267	1.2
205.03877	3.3
205.05598	1.5
206.98195	4.1
207.01764	3.0
211.01299	1.6
212.97076	3.4
214.98607	0.9
215.02354	1.3
215.05864	0.6
217.00180	5.4
217.07381	0.7
219.01770	27.0
220.04196	2.5
220.05977	1.1
220.99706	11.5
221.03316	2.5
221.05132	0.9
221.06841	1.2
221.57030	0.9
223.01237	0.8
223.04767	3.9
226.07695	0.8
228.05605	0.9
230.98143	14.3
231.01808	2.0
231.05339	0.6
232.59709	3.2
232.99806	1.6
233.03297	1.0
233.06851	1.1
233.10008	0.9
235.01311	2.3
235.04939	2.1
236.07372	1.9
236.57370	0.9
237.02818	22.3
239.00734	2.7
241.58403	1.1
241.60626	0.9
242.07117	4.8
242.09491	1.0
242.57278	2.7
244.99704	12.3
245.07126	0.8
248.05406	0.7
248.99171	4.4
249.02705	4.0
251.04387	3.6
252.08736	2.3
253.60406	2.7
257.06082	0.7
263.00812	20.2
263.04437	16.5
263.08035	4.0
267.04022	0.9
268.60785	0.7
277.05869	1.0
279.04016	1.4
281.01929	13.8
281.05515	40.4
281.09100	5.8
286.08221	2.1
291.00479	0.6
291.03711	1.3
295.06958	1.8
299.02887	3.6
304.62543	0.6
305.01871	3.1
305.05490	2.1
307.06949	1.3
308.07175	0.8
313.62509	7.0
314.09180	0.9
314.12402	1.9
319.06970	0.8
321.10428	1.2
322.10455	2.1
322.62921	5.8
323.02829	1.0
323.06458	17.6
323.10330	16.5
323.61993	1.3
325.08008	0.6
341.23218	0.6
349.09747	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25266	2.5
63.80650	2.1
70.91207	4.9
72.90277	2.4
75.63454	2.4
98.21378	2.4
102.38274	2.2
104.78742	2.3
118.83208	2.1
143.01895	7.1
155.01915	3.6
161.02977	6.5
196.43773	2.6
203.03981	4.3
323.07391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1278
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
69.12005	0.3
69.70570	0.3
70.71416	0.8
78.86437	0.3
79.05499	0.7
81.07047	0.3
85.02885	0.4
91.05473	2.0
93.07027	0.4
95.04961	0.4
95.08576	0.3
103.53751	0.3
105.07047	0.4
107.08583	0.3
109.06548	0.4
115.05483	0.3
121.06516	5.2
122.03644	0.7
122.09232	0.3
124.38226	0.3
131.04903	0.3
133.06445	0.5
137.05986	4.7
139.05478	0.4
143.08530	0.4
144.05730	0.4
145.06491	1.6
146.03639	1.3
147.08020	0.8
149.05986	11.2
151.07535	3.3
156.05672	0.3
159.08072	1.0
161.05968	3.9
165.05504	6.9
165.06978	0.9
167.04852	0.4
171.08055	0.7
175.07504	0.5
177.05470	4.1
178.07816	1.0
179.08589	0.5
181.06497	0.5
184.05157	0.4
186.06734	0.6
187.07561	1.1
189.07021	0.5
191.08640	1.4
192.09346	1.9
199.07516	2.1
201.07295	0.5
201.09122	3.7
202.05867	0.4
202.06392	0.2
202.07762	11.5
203.08562	45.1
204.09187	1.2
205.06485	2.3
205.10112	1.4
206.07269	0.4
207.08066	0.7
211.07550	0.5
213.07031	0.7
215.08641	2.0
217.06665	0.4
217.10027	0.7
218.07254	1.2
219.08067	6.5
220.08835	10.6
221.09578	0.7
222.06723	0.6
222.89597	0.3
223.07512	0.4
224.08296	0.9
225.09129	0.4
230.07286	3.2
231.08057	52.7
232.08821	15.1
232.11182	0.5
233.06010	1.9
233.09576	1.6
234.06754	0.9
234.10451	0.4
235.07556	0.7
235.11194	4.2
237.09074	1.5
237.94847	0.3
241.08623	1.1
242.07227	0.6
243.08014	0.4
244.08722	0.4
245.09665	5.3
246.06712	0.7
246.10384	0.6
247.07565	8.7
248.08334	27.8
249.09081	2.8
250.06314	0.7
251.06964	0.5
251.10776	0.4
252.23631	0.4
258.06815	1.3
259.07559	21.7
260.08325	9.8
261.05438	0.5
261.09088	4.1
262.06509	0.4
262.09863	3.4
263.10678	60.7
264.08011	0.6
264.11124	1.5
265.08624	3.6
269.08060	1.0
273.09155	4.0
274.09866	5.0
275.07040	2.4
275.10596	1.0
276.07816	16.7
277.08624	8.0
277.12143	1.2
278.05786	0.6
279.06793	0.3
279.10172	1.3
280.07785	0.3
280.10904	1.3
289.08536	0.9
290.09326	4.6
291.10156	81.6
292.07458	0.3
292.10797	5.7
293.08066	4.7
293.11063	0.5
294.08957	0.3
295.09793	0.8
295.13229	4.6
305.11710	21.5
306.12155	0.5
307.09650	2.2
308.10406	7.0
321.11157	1.4
323.12778	100.0
324.13156	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	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.85782	0.2
56.69201	0.2
63.21752	0.2
68.26756	0.2
69.07047	0.2
69.23758	1.5
69.24162	0.6
71.04976	0.6
72.70058	0.2
81.07043	0.3
85.02902	0.8
91.05477	0.3
98.20789	0.4
105.07040	0.3
107.49687	0.2
115.05438	0.4
121.06506	0.4
128.06230	0.7
133.06439	0.2
137.05966	0.7
139.05400	0.3
143.08612	0.3
145.02869	0.5
146.03662	0.3
147.04350	0.3
149.05995	1.4
153.06975	0.7
160.05191	0.3
161.05991	1.2
165.07013	0.4
167.04988	0.2
169.06485	0.4
170.07297	0.3
171.08047	0.4
175.07579	1.4
176.06161	0.3
177.05519	0.6
178.07744	0.4
179.08548	0.3
181.06494	1.1
187.07512	0.6
189.07028	0.6
190.07674	0.2
191.08527	1.0
192.09341	1.1
194.07329	0.3
195.08109	0.3
197.06027	0.7
198.06737	1.5
199.07530	2.8
201.09140	0.2
202.07780	5.4
202.09517	0.4
203.08566	19.0
204.09071	0.4
205.06482	2.5
205.10123	0.4
206.07187	0.4
207.08035	0.4
209.05943	0.4
209.09639	0.5
210.06737	1.4
211.07550	0.7
213.07143	0.4
213.09157	0.7
215.08565	0.6
217.06557	0.3
217.10036	0.4
218.07372	0.4
219.08102	4.4
220.08856	5.6
221.05962	0.4
221.09619	0.9
222.06755	0.6
223.07645	0.5
224.08374	0.9
225.09068	0.2
226.06274	2.6
227.06976	0.5
230.07202	1.5
231.08058	21.4
232.08842	4.3
233.05995	3.1
233.09605	0.7
234.06752	1.1
234.10497	0.3
235.07472	0.7
235.11212	1.1
236.04710	0.5
236.08264	0.2
237.05421	0.6
237.09099	3.1
239.06985	0.4
240.07750	0.4
241.06290	0.5
241.08614	7.0
242.07399	0.4
245.09654	1.5
246.06644	0.3
247.07529	4.4
248.08345	29.2
249.09114	4.2
250.06226	1.6
250.10013	0.3
251.07042	2.3
251.10739	0.7
252.07880	0.6
252.11482	0.7
253.08635	0.3
254.09428	0.8
255.06564	0.9
258.06726	0.7
259.07550	9.4
260.08359	3.5
261.05670	1.2
261.09055	2.0
262.06378	1.6
262.09903	3.6
263.10693	21.8
264.07849	1.4
264.11279	1.1
265.05475	0.5
265.08606	6.5
267.10294	0.3
269.08087	6.2
270.08829	1.0
273.09100	1.0
274.09824	0.8
275.07355	1.1
275.10437	1.2
276.07828	18.4
277.08618	11.5
278.05750	1.4
278.08841	0.4
279.06494	2.5
279.10077	1.2
280.07312	1.5
280.10944	2.8
281.08127	0.3
281.11746	0.4
289.08621	0.3
290.09390	3.1
291.10165	57.1
292.07318	1.0
292.10864	10.1
293.08090	8.8
293.11414	0.5
294.08871	3.4
295.09641	2.7
295.13327	2.4
305.08255	0.5
305.11743	6.2
306.12241	0.5
307.09659	4.7
308.10425	11.2
321.10999	0.3
323.12787	100.0
324.13055	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	323.1278
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
57.03432	0.2
63.28525	0.2
67.14517	0.2
71.04982	0.5
71.22685	0.6
80.41956	0.2
85.02893	0.7
91.05488	0.5
105.07039	0.4
111.53021	0.2
115.05492	0.3
117.03378	0.3
121.10218	0.3
128.06201	0.4
128.74799	0.2
135.04370	0.3
137.05972	0.8
143.08546	0.3
145.02832	0.5
149.05957	0.9
151.07545	0.3
153.06996	0.8
156.05789	0.3
161.05986	1.1
165.07013	0.4
171.08012	0.6
175.07570	1.6
177.05449	0.8
178.07846	0.3
181.04971	0.2
181.06413	1.2
183.43950	0.2
184.05177	0.4
187.07529	0.3
189.06984	0.5
190.07732	0.5
191.08562	1.3
192.09325	1.1
193.10095	0.4
194.07330	0.3
197.05965	0.5
198.06825	1.6
199.07518	2.7
201.09106	0.3
202.07771	5.2
203.08560	19.0
204.09186	0.4
205.06438	1.9
205.10080	0.3
206.07199	0.3
208.05316	0.3
209.09605	0.5
210.06819	1.1
211.07555	1.0
213.09088	0.3
215.08563	0.7
217.10057	0.4
218.07278	0.4
219.08046	4.0
220.08841	6.4
221.06078	0.3
221.09615	1.0
222.06726	0.6
223.07671	0.6
224.08325	0.7
225.05510	0.4
225.09203	0.5
226.06241	2.3
227.06958	0.8
230.07265	1.3
231.08057	22.9
232.08801	4.5
233.05980	3.1
233.09628	0.6
234.06604	1.2
234.10289	0.3
235.07658	0.4
235.11198	1.0
236.04515	0.3
237.05499	0.5
237.09126	3.5
239.07063	0.4
240.07700	0.8
241.06273	0.5
241.08612	7.2
242.07124	0.3
243.08041	0.3
245.09650	1.3
247.07530	4.4
248.08331	28.1
249.09091	4.5
250.06206	1.5
251.07080	2.3
251.10663	0.5
252.07988	0.6
252.11502	0.9
254.09329	0.7
255.06464	1.2
255.10184	0.3
258.06750	1.1
259.07553	9.2
260.08316	3.8
261.05545	1.5
261.09076	2.2
262.06516	1.7
262.09848	3.5
263.10675	21.1
264.07819	1.7
264.11359	0.9
265.04733	0.3
265.05325	0.3
265.08612	6.6
265.11667	0.5
266.09177	0.4
267.10175	0.6
269.08081	5.4
270.08810	0.9
273.09088	1.7
274.09927	0.7
275.07068	1.5
275.10663	1.1
276.07809	17.6
277.08585	10.4
278.05780	2.0
278.08792	0.4
279.06519	2.1
279.10175	1.6
280.07303	1.5
280.10925	2.8
281.07825	0.4
281.11411	0.4
282.08795	0.3
289.08401	0.4
290.09299	2.7
291.10153	54.8
292.07346	1.1
292.10858	9.8
293.08081	9.3
293.11319	0.4
294.08841	3.2
295.09644	3.3
295.13300	2.5
305.11703	6.6
306.12192	0.3
307.09613	3.8
308.07327	0.2
308.10406	10.7
323.12772	100.0
324.13126	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1277
Annotation	Sterekunthal B
Peak:m/z	Relative Intensity
53.03952	0.7
55.01872	0.5
55.50906	0.3
63.67558	0.2
65.03947	0.7
69.03421	1.0
69.48664	2.0
78.04700	0.6
79.34874	0.3
81.07061	0.7
89.03902	0.8
91.05476	7.2
93.07053	0.4
94.04198	0.8
95.04967	0.4
103.05457	0.7
105.04482	0.5
106.04160	0.6
107.04935	0.6
109.06484	0.4
112.63266	0.3
115.05445	1.1
117.03374	0.8
121.06506	25.8
122.03644	2.1
127.59756	0.2
129.06929	0.4
130.04176	0.7
131.04913	1.2
133.06499	2.5
134.03627	0.6
135.04411	0.3
137.05986	11.0
139.07530	1.3
144.05701	0.8
144.28650	0.3
145.06490	7.6
146.03615	1.0
146.07224	0.8
147.04428	0.4
147.08038	3.4
149.05983	49.3
151.07582	0.4
159.08058	4.0
161.05983	3.9
162.06654	0.4
163.07515	0.8
165.05486	14.5
165.06822	0.8
171.08064	0.6
175.07570	0.6
177.05472	21.2
178.07758	0.5
179.06946	0.3
181.06506	1.2
183.08116	0.5
183.48885	0.3
187.07542	2.8
190.07678	0.4
191.08508	0.7
192.09329	0.6
193.06451	0.5
193.10161	0.3
195.08093	0.6
197.05975	0.9
198.06662	0.6
201.09102	0.5
202.07759	4.1
203.08574	4.2
203.71216	0.3
204.09291	1.6
205.06461	0.9
205.10294	0.4
207.08105	0.5
208.08890	1.3
209.05984	0.4
209.09731	0.3
210.06773	1.0
211.07556	1.7
213.09077	0.7
215.08591	1.6
218.07233	0.8
219.08040	4.0
220.08810	3.8
221.09624	1.3
222.77675	0.3
223.07672	0.6
224.08321	1.2
225.05540	0.4
225.09084	0.5
226.06255	1.2
230.07251	1.9
231.08046	11.5
232.08784	1.7
233.05980	0.6
233.09595	1.1
234.10364	1.4
235.07568	1.3
235.11168	5.8
236.08255	0.4
237.09184	0.7
238.09906	0.6
238.12262	0.3
239.07057	0.6
239.10692	3.6
240.07840	0.6
241.08632	3.2
241.52405	0.3
243.07971	0.5
244.08789	0.5
245.09621	12.8
246.10374	4.0
247.07568	8.2
247.10526	0.4
247.11168	0.5
248.08308	4.4
249.09126	2.6
250.09853	0.5
251.10689	1.0
252.07910	0.5
252.11230	0.4
253.08510	0.4
254.09373	3.1
257.05679	0.3
258.06696	0.8
259.07565	4.4
260.08160	0.9
261.09122	8.0
262.09875	11.5
263.07599	0.4
263.10641	8.2
264.07733	0.5
264.11441	2.8
265.08505	1.5
265.12183	0.4
267.10184	3.6
269.08084	8.6
273.09088	8.6
274.09882	23.4
275.07040	2.7
275.10504	1.6
276.07617	1.2
276.11203	0.5
277.08594	2.3
277.12250	5.2
278.09326	1.2
279.10019	1.7
280.07874	0.4
280.10696	1.9
281.11777	0.5
287.10587	0.4
288.11395	1.0
289.08508	1.9
290.09360	14.2
291.10156	5.4
292.10889	5.0
293.08032	0.9
293.11661	6.2
294.08755	0.3
294.12033	0.4
295.09882	1.0
295.13260	19.6
304.10977	0.8
305.11719	100.0
306.12143	1.4
307.09531	0.6
308.10144	3.5
322.11597	0.4
323.12744	59.8
324.13159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.02420	0.7
51.86779	0.7
53.26403	0.8
55.05497	0.8
55.92154	0.7
65.03951	0.7
69.73716	1.9
69.74123	2.1
79.05489	2.4
81.07061	2.5
91.05491	2.6
94.04189	3.5
98.21522	1.4
103.05486	1.6
105.07046	8.1
107.04946	1.3
109.06519	4.6
115.05429	4.2
121.06521	0.7
122.03640	8.6
128.06232	2.5
131.04903	1.2
133.06511	5.9
137.05981	100.0
141.07027	2.1
143.04988	1.1
143.06030	1.0
146.03638	6.6
146.73285	0.7
147.04361	1.4
147.08051	0.8
149.06015	2.3
151.07494	1.0
155.06021	0.9
156.05708	1.2
159.08110	0.7
161.05981	67.5
162.06647	1.3
163.07462	0.7
165.06990	0.8
167.04890	1.2
167.07091	1.1
168.05649	1.3
171.08035	3.7
173.05850	0.8
175.07593	1.6
177.05490	1.1
179.08772	0.7
184.05237	2.8
187.07655	1.4
189.07014	1.0
190.07899	0.8
191.08604	2.8
192.09360	2.1
194.23651	0.8
199.07552	36.7
202.07758	16.6
203.08549	28.5
204.09283	1.7
205.06508	1.4
206.07233	1.0
207.08044	1.1
213.07082	1.1
215.08632	1.9
219.08055	9.7
220.08823	10.4
221.09695	0.9
230.07285	3.1
231.08052	45.3
232.08771	9.0
233.06030	1.4
233.09666	1.1
235.11272	2.5
237.09137	2.0
242.07193	1.0
243.07947	1.0
245.09628	2.9
247.07526	7.7
248.08336	19.9
249.09007	3.9
258.06821	2.3
259.07565	28.7
260.08307	14.4
261.09097	3.0
262.09885	1.9
263.10675	24.1
264.11203	1.0
265.08548	2.4
273.08972	1.7
274.09927	1.2
275.07114	3.6
276.07822	15.2
277.08569	10.6
279.10056	0.7
280.07648	0.8
280.10995	2.1
290.09421	1.2
291.10159	66.1
292.10907	14.2
293.08109	4.6
293.10901	0.9
295.10101	1.3
295.13312	8.2
305.11743	1.7
308.10431	5.6
323.12775	85.4
324.13232	1.7
328.52890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1276
Annotation	Sterekunthal B
Peak:m/z	Relative Intensity
53.03942	0.8
55.01863	0.4
55.05506	0.3
60.55931	0.2
61.93458	0.2
65.03933	0.7
66.04693	0.3
66.37236	0.2
67.05499	0.2
69.03414	0.5
69.07071	0.5
71.52254	0.2
77.03920	0.2
78.04704	0.4
79.05520	0.9
81.03416	0.3
81.07049	0.7
83.04990	0.2
84.51057	0.2
85.02907	0.3
89.03913	0.8
91.05481	9.1
93.07066	1.0
94.04176	0.8
95.04990	1.2
95.08606	0.6
97.02892	0.2
97.10175	0.4
101.31329	0.2
102.04659	0.3
103.05454	1.0
105.04501	0.6
105.07034	0.6
106.04166	0.9
107.04948	0.6
107.08582	0.4
109.06538	0.9
115.05437	1.0
116.06226	0.3
117.03380	0.7
117.07020	0.4
119.04961	0.2
119.06080	0.2
119.08578	0.3
121.06506	30.0
122.03660	2.9
128.06213	0.2
129.06985	0.3
130.04134	0.8
131.04897	1.0
133.06494	2.6
133.10201	0.2
134.03645	0.6
135.04428	0.5
135.08018	0.2
135.11708	0.2
136.05180	0.3
137.05978	14.4
139.07530	1.3
144.05708	1.1
145.06485	9.1
146.03627	1.0
146.07262	0.9
147.04385	0.6
147.08046	4.7
149.05981	60.5
150.03096	0.4
150.06322	0.5
151.07547	0.7
155.06049	0.2
157.12137	0.2
159.08052	5.5
161.05975	5.3
162.06772	0.5
163.03957	0.2
163.07552	1.1
165.05475	16.8
171.08018	0.8
172.05139	0.4
174.06778	0.5
175.07556	0.8
177.05467	24.1
178.05916	0.4
187.07541	3.3
189.06903	0.3
190.07794	0.2
191.08559	0.4
192.09288	0.5
199.07483	0.6
201.05431	0.2
202.07779	4.0
203.06752	0.2
203.08542	3.1
204.09328	1.9
205.06459	0.7
205.10095	0.3
215.08630	0.9
218.07265	0.4
219.08057	2.8
220.08807	3.2
221.09637	0.7
230.07245	2.2
231.05692	0.4
231.08040	8.2
232.08820	1.4
233.06017	0.4
233.09685	1.1
234.06674	0.3
234.10466	0.8
235.11176	7.0
237.09126	0.4
245.09616	13.3
246.10480	1.4
247.07533	5.1
247.11198	0.3
248.08282	3.5
249.09093	1.7
252.07863	0.2
258.06818	0.6
259.07544	3.1
260.08234	1.1
260.64218	0.2
261.09094	5.7
262.09882	9.4
263.10666	9.7
264.11411	2.4
265.08575	1.0
273.09094	9.4
273.12155	0.2
274.09879	18.1
275.06995	1.7
275.10471	0.6
276.07739	1.3
276.11002	0.3
277.08600	1.5
277.12222	3.8
277.15176	0.3
278.09164	0.2
279.10223	0.4
280.07532	0.3
280.10895	1.1
280.25577	0.2
281.11783	0.3
288.11389	0.4
289.08664	0.6
290.09372	12.5
291.10156	5.7
291.13489	0.2
292.10770	1.3
293.08112	0.9
293.11581	0.4
295.13266	18.9
304.10962	0.8
305.11713	100.0
306.12024	1.5
307.09351	0.2
307.43448	0.2
308.10385	1.3
323.12759	47.7
324.13126	0.8
337.62473	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
69.03416	0.4
70.68993	0.8
71.04974	0.6
85.02878	0.8
91.05489	0.3
98.20781	0.4
99.87540	0.2
107.04906	0.3
121.06523	0.3
128.06215	0.4
137.05975	0.7
143.08556	0.3
149.05969	0.8
151.07483	0.3
153.06938	0.8
161.05994	0.7
165.07014	0.6
169.06403	0.4
170.07193	0.5
171.08101	0.7
175.07605	1.4
178.07660	0.3
181.06508	1.2
184.05215	0.3
185.05983	0.4
186.06734	0.3
187.07574	0.5
189.06960	0.7
191.08568	1.0
192.09317	0.9
195.08096	0.5
197.05966	0.7
198.06795	1.2
199.07579	2.3
201.09055	0.5
202.07770	6.7
203.08560	20.9
204.09300	0.5
205.06479	2.1
205.10069	0.4
206.07216	0.5
207.08020	0.4
209.06102	0.4
209.09605	0.7
210.06743	1.5
211.07562	1.0
213.07004	0.4
213.09155	0.4
215.08580	0.7
217.10147	0.5
218.07173	0.7
219.08069	5.0
220.08839	7.0
221.06052	0.5
221.09544	1.1
222.06767	0.6
223.07558	0.9
224.08328	0.8
225.05574	0.4
225.09044	0.3
226.06194	3.0
227.06985	0.8
230.07240	1.4
231.08061	23.5
232.08835	4.0
233.06026	2.9
233.09543	0.8
234.06757	1.4
235.07526	0.7
235.11235	1.3
237.05449	0.6
237.09106	3.1
239.07050	0.4
241.06287	0.5
241.08595	7.7
243.08066	0.3
245.09721	2.0
246.10114	0.3
247.07565	5.4
248.08345	31.9
249.05455	0.3
249.06221	0.3
249.09084	4.7
250.06204	2.0
250.10100	0.3
251.07051	3.0
251.10695	0.6
252.07834	0.7
252.11414	0.8
254.09392	0.8
255.06584	1.1
258.06735	0.8
259.05508	0.3
259.07556	9.6
260.08325	4.1
261.05502	1.9
261.09036	1.7
262.06442	1.8
262.09900	4.1
263.10687	22.8
264.07864	1.5
264.11285	0.9
265.05392	0.4
265.08600	6.6
266.09229	0.5
267.10266	0.4
269.08066	5.8
270.08850	1.1
273.09042	1.5
274.09839	0.8
275.07147	1.3
275.10443	1.2
276.07828	19.0
277.08600	11.9
277.11169	0.2
278.05786	1.6
278.08508	0.3
279.06540	3.3
279.10159	1.3
280.07336	1.7
280.10953	2.7
285.91708	0.2
290.09344	2.6
291.10159	60.9
292.07379	1.1
292.10867	10.2
293.08078	9.4
293.11386	0.5
294.08868	3.7
295.09634	2.8
295.13287	2.3
305.11737	6.1
307.09656	5.7
308.10428	12.2
321.11383	0.4
323.12784	100.0
324.12991	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
60.80267	0.3
64.96772	0.3
65.30594	0.3
65.74955	0.4
70.56168	1.0
85.02888	0.7
86.17575	0.4
89.03878	0.4
91.05455	0.4
100.10573	0.3
104.49116	0.3
105.04560	0.4
105.07010	1.1
115.05420	0.6
128.57314	0.4
133.06514	0.8
134.03680	0.4
137.05986	3.4
139.05368	0.6
144.05711	0.4
146.03604	0.7
149.05931	1.2
151.07568	0.7
153.06946	0.4
160.05145	0.6
161.05989	5.0
165.05583	0.5
165.07001	0.6
167.04913	0.5
169.06456	0.6
170.07281	0.4
175.07570	2.2
178.07642	0.4
181.06485	1.0
184.05167	0.5
187.07594	1.0
189.07005	0.5
190.07681	0.6
191.08549	1.4
192.09328	1.5
195.08029	0.4
198.06764	0.7
199.07607	2.7
201.09134	0.7
202.07797	8.5
203.08569	25.7
204.09349	0.8
205.06534	2.1
205.10217	0.7
209.09639	0.7
211.07555	0.5
213.06990	0.5
215.08574	0.9
217.10112	0.4
219.08078	5.5
220.08829	7.5
221.09581	0.9
224.08263	1.0
225.09117	0.8
226.06223	1.4
230.07259	2.0
231.08063	30.9
232.08801	6.6
233.06062	3.1
233.09525	0.9
234.06793	1.5
235.07568	0.5
235.11040	0.7
237.09134	2.8
241.08611	4.7
245.05937	0.5
245.09624	2.2
247.07549	5.5
248.08356	27.6
249.09032	4.2
250.06288	1.6
251.07069	1.2
251.10709	0.5
252.07883	0.5
252.11548	0.8
254.09343	0.5
258.06830	1.0
259.07562	14.7
260.08328	6.9
261.05563	1.0
261.09171	2.4
262.06296	1.2
262.09927	3.3
263.10684	27.1
264.07828	0.9
265.08585	6.2
269.08087	3.3
273.09109	1.2
274.09943	1.0
275.07037	1.7
275.10638	0.7
276.07828	18.9
277.05762	0.3
277.08594	9.1
278.05728	2.2
278.08905	0.6
279.06525	2.0
279.10126	1.1
280.07483	0.8
280.10965	2.7
290.09348	2.3
291.10165	66.7
292.07382	1.0
292.10840	7.3
293.08072	12.2
293.11392	0.6
294.08875	2.6
295.09650	2.1
295.13309	2.1
305.11755	5.2
307.09628	4.5
308.10406	9.1
321.11450	0.5
323.12793	100.0
324.13196	1.5
342.72781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
70.57533	0.4
70.85625	0.6
80.82404	0.4
85.02876	0.7
115.05396	0.4
121.02850	1.2
121.06458	0.6
133.06407	0.4
137.05951	1.4
139.05385	0.4
146.03616	0.6
149.05930	1.3
150.09837	0.4
156.05623	0.4
161.05977	2.0
163.03928	0.4
165.05513	0.7
165.06950	0.8
167.04922	0.5
175.07498	2.2
179.08557	0.6
181.06573	0.7
184.05295	0.4
187.07507	1.5
189.07004	0.6
190.07748	0.5
191.08566	0.6
192.09348	1.3
198.06821	1.0
199.07545	3.3
201.09091	1.0
202.07791	7.8
203.08560	25.8
204.09198	0.5
205.06496	2.1
206.07381	0.4
207.07982	0.8
209.09596	0.5
211.07599	0.8
215.08624	0.9
218.07304	0.4
219.08044	5.3
220.08859	7.1
221.09705	0.6
222.06746	0.6
223.07742	0.6
226.06273	1.6
230.07224	1.5
231.08060	29.3
232.08871	6.1
233.06047	3.1
233.09499	0.4
234.06770	1.1
235.07617	0.7
235.11130	1.1
237.09100	3.0
240.07800	0.4
241.08598	4.4
242.07362	0.6
245.09673	2.3
247.07555	5.1
248.08351	24.3
249.09129	3.8
250.06219	1.7
251.07065	1.3
251.10661	0.5
252.07822	0.6
252.11375	0.8
254.09387	0.5
258.06821	0.9
259.07584	12.6
260.08337	6.0
261.05579	1.3
261.08978	2.1
262.06473	0.9
262.09869	3.1
263.10681	26.9
264.07794	1.3
264.11127	0.7
265.08594	5.3
265.11740	0.4
265.12262	0.4
269.08118	3.7
273.09125	2.2
274.09894	0.8
275.07080	1.8
275.10657	0.8
276.07834	16.5
277.08618	8.6
277.11755	0.7
278.05753	1.7
278.08731	0.4
279.06500	1.2
279.10086	1.2
280.07758	0.6
280.10892	2.5
290.09470	2.1
291.10159	60.5
292.07666	0.7
292.10867	7.8
293.08090	11.1
294.08847	1.8
295.09607	1.7
295.13260	1.7
300.05817	0.5
305.11737	4.8
307.09598	3.7
308.10406	9.1
323.12784	100.0
324.13159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.34370	0.3
63.99038	0.3
69.07064	1.0
70.56613	0.8
70.56982	0.7
81.07044	0.5
85.02879	0.5
91.05495	0.7
92.89294	0.4
98.21503	0.4
105.07026	0.4
115.05444	0.4
117.03349	0.6
121.06526	0.4
121.10138	0.4
126.23203	0.4
133.06532	0.5
137.05951	1.9
139.05464	0.7
146.03653	0.6
149.05998	1.3
160.05212	0.6
161.05962	3.0
163.03925	0.4
165.05518	0.7
167.04764	0.4
175.07562	2.2
177.05403	0.6
177.16162	0.4
178.07799	0.6
181.06635	0.5
184.05138	0.7
187.07565	1.1
189.06989	0.7
191.08546	1.2
192.09383	1.2
195.08008	0.5
197.06049	0.5
198.06743	0.6
199.07547	3.5
201.09108	1.1
202.05878	0.5
202.07765	8.4
203.08562	26.3
204.09250	0.5
205.06509	2.4
205.10165	0.6
209.09615	0.5
210.06715	0.7
211.07565	1.1
213.07076	0.5
214.26927	0.4
215.08643	0.5
217.10199	0.8
218.07388	0.6
219.08058	5.9
220.08853	8.2
221.06059	0.5
221.09540	0.8
222.06758	0.7
223.07536	0.5
224.08389	1.0
225.09096	0.8
226.06259	1.3
230.07234	1.9
231.08055	32.6
232.08830	6.0
233.05949	3.1
233.09630	1.1
234.06758	1.4
235.07591	0.8
235.11227	1.3
236.04726	0.6
237.09135	3.4
240.07784	0.5
241.06273	0.8
241.08603	5.0
242.07390	0.6
245.09567	2.1
247.07649	5.2
248.08345	30.5
249.09091	4.4
250.06281	1.3
251.07019	1.8
251.10837	0.6
252.11530	0.7
258.06891	0.9
259.07559	12.3
260.08334	5.7
261.05463	1.1
261.09106	1.7
262.06448	1.4
262.09912	2.7
263.10678	27.9
264.07852	0.9
264.11414	0.8
265.08603	6.2
265.11725	0.6
269.08118	3.3
273.09094	2.2
274.09927	1.1
275.06998	1.7
275.10559	1.2
276.07822	18.7
277.08606	8.8
278.05722	1.7
279.06549	1.9
279.10190	1.3
280.07272	1.1
280.10925	2.2
287.24384	0.4
290.09396	2.4
290.12219	0.5
291.10162	64.5
292.07327	1.2
292.10858	7.9
293.08047	10.9
293.11368	0.6
294.08795	2.1
295.09659	2.0
295.13318	2.0
300.86163	0.4
305.11734	5.6
306.12271	0.6
307.09656	4.2
308.10425	9.3
321.11224	0.5
323.12784	100.0
324.13171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34923	1.0
55.34545	1.1
55.35460	1.2
66.70644	1.1
67.05501	3.3
71.17891	2.2
79.05489	1.9
81.07058	2.4
88.32665	1.2
91.05486	2.1
94.06573	3.8
97.02898	3.4
108.08122	18.3
110.06068	5.0
117.05762	1.1
118.06547	4.4
119.04999	5.8
119.05706	1.1
119.07320	4.1
120.08122	9.2
122.06052	4.8
123.06868	1.6
124.07584	10.5
132.08080	1.3
136.07585	98.3
142.08633	11.7
146.06001	4.7
146.08374	1.9
147.04411	15.5
147.06818	2.0
148.07564	6.0
154.08621	2.6
164.07074	36.4
164.08430	2.4
165.05450	1.9
173.10782	3.8
181.08867	2.4
183.09088	1.1
185.10730	2.3
195.09219	1.6
196.11238	3.2
197.10756	3.7
198.07925	1.8
198.11508	4.7
201.10233	5.8
211.08557	1.4
212.09387	1.2
213.10265	6.2
213.13885	3.7
223.12413	1.9
224.10686	2.6
225.10167	5.4
226.11029	9.7
236.34734	1.2
239.11871	1.4
240.12686	3.8
241.09848	5.6
241.13348	26.4
254.10510	4.5
259.14444	28.8
269.12866	37.3
277.15414	2.7
287.13916	42.8
291.10077	2.6
305.14975	100.0
323.07675	1.3
323.12805	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20955	2.4
56.96574	22.9
61.02932	4.9
67.05509	5.0
69.03433	7.1
69.70828	16.3
70.06573	2.9
71.75374	2.9
71.92088	2.8
72.08183	3.6
73.02885	4.1
79.05502	54.6
81.03415	3.2
81.07059	25.1
84.04500	8.4
84.08147	55.1
85.02914	9.5
86.06068	7.4
91.05472	10.2
95.08575	5.9
97.02892	6.2
98.97581	29.4
105.07035	5.4
106.32841	2.7
107.08601	100.0
109.06538	8.3
110.97593	8.8
116.98654	4.7
118.52905	2.5
121.06567	4.1
123.05573	10.2
123.08081	4.0
125.09633	25.7
127.03928	3.4
128.98631	4.9
130.08636	3.1
137.06000	43.2
138.06326	4.9
141.06654	3.3
143.00166	3.0
143.10690	65.6
149.09613	2.8
158.99675	12.9
161.11656	3.7
162.03680	3.6
163.03899	6.6
164.07079	5.9
170.99710	3.5
172.05763	5.7
177.00761	4.2
180.07681	5.2
187.06512	5.3
197.04802	4.0
204.06453	3.2
211.02753	4.8
219.01779	9.8
231.13408	14.3
233.06839	9.4
237.02914	3.3
242.07361	4.0
259.16559	27.3
323.12198	11.8
323.16330	16.1
325.96219	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	323.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	46.9
57.07079	72.5
67.05511	23.1
69.07076	100.0
71.01773	3.6
71.02119	6.7
71.08637	62.4
78.42596	3.1
79.05498	11.3
81.07058	61.2
83.04971	4.1
83.08159	5.0
83.08627	79.3
85.06538	10.3
85.10188	34.6
91.05493	14.6
93.07037	20.9
95.08066	5.3
95.08614	60.6
97.06551	16.5
97.10167	44.9
99.11742	5.2
101.06010	5.4
105.07034	26.8
107.08595	27.9
109.06496	5.7
109.10155	43.9
111.08102	4.9
111.11745	30.1
115.07569	14.3
115.36739	3.7
119.08599	29.4
121.06493	6.2
121.10148	20.3
123.08105	5.1
123.11731	21.8
124.77119	3.1
125.09666	7.0
125.13335	15.7
129.09105	5.7
133.10139	27.0
135.11703	13.2
137.06009	4.0
137.09619	10.3
137.13252	12.8
139.11247	3.9
139.14821	6.6
141.09125	7.3
143.10664	7.5
147.11699	23.8
149.06004	22.1
149.13226	8.4
151.11200	14.0
151.14888	5.3
155.10727	5.5
157.12251	5.4
161.13274	22.5
163.14880	7.1
165.05447	5.0
165.12766	24.7
165.16434	3.8
167.14310	6.1
169.12262	11.4
171.13852	3.2
175.14815	9.5
177.05441	5.4
177.16425	5.0
179.14284	24.4
179.17926	3.4
183.13828	8.8
185.15355	4.7
189.16441	7.6
193.15880	11.3
197.15407	8.0
203.08585	8.5
207.17422	7.2
217.19513	6.1
225.18254	3.1
231.08072	11.2
231.21100	6.8
233.06136	3.9
235.20383	3.3
245.09583	5.0
248.08334	11.8
249.22232	3.9
259.07568	4.7
262.09827	7.3
263.10760	15.1
263.27255	16.6
273.09128	4.4
274.09705	6.4
276.07828	6.5
277.08594	5.4
287.27338	20.2
290.09235	6.2
291.10156	26.3
292.10916	3.0
295.13266	7.0
305.11743	38.2
305.19934	3.1
305.25345	2.8
305.28256	18.4
308.10593	4.1
323.09274	5.7
323.12750	50.5
323.29672	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	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03941	0.7
57.03423	0.8
69.03431	4.0
69.26810	0.3
71.01358	0.4
71.05000	0.4
71.25314	0.4
71.25646	0.3
79.05486	0.8
81.03417	1.4
85.02920	2.9
89.03915	5.8
94.31923	0.3
97.02897	10.7
99.04482	0.5
101.02364	0.5
107.04953	2.3
109.02864	0.5
117.03380	9.9
127.03921	0.8
132.62602	0.2
135.04419	17.9
145.02858	12.9
145.03899	0.5
163.03906	100.0
164.04266	0.7
181.04962	2.3
232.25722	0.4
279.64670	0.3
281.18744	0.4
307.08112	1.8
325.09171	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	325.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
57.03422	0.7
63.02380	0.5
64.85444	0.2
65.48782	0.3
69.03097	0.3
69.03438	4.3
70.84095	0.6
71.01326	0.4
71.04982	0.3
72.64194	0.2
79.05483	0.5
81.03417	1.4
85.02913	2.3
89.03922	5.9
91.27753	0.3
97.02297	0.5
97.02901	8.5
99.04462	0.7
99.14199	0.3
101.02357	0.3
107.04963	1.9
109.02853	0.7
117.03389	9.7
127.03915	0.7
135.04424	16.9
145.02859	12.8
145.04016	0.6
163.03914	100.0
164.04227	0.5
174.96809	0.3
181.04964	1.7
186.65685	0.2
199.70818	0.3
246.72816	0.3
265.07031	0.3
307.08173	1.6
316.75443	0.3
325.09134	6.3
340.50851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03936	0.7
57.03431	1.0
63.02376	0.4
69.03431	4.1
69.79678	1.1
79.05483	0.8
81.03429	1.4
85.02915	2.4
89.03921	5.2
95.04929	0.4
97.02893	8.5
99.04455	0.7
101.02296	0.2
107.04964	1.5
107.19304	0.3
109.02885	0.5
112.55469	0.3
117.03388	9.5
127.03916	0.7
135.04422	15.9
137.06004	0.4
139.33414	0.3
145.02858	13.3
145.04013	0.7
161.77121	0.2
163.03911	100.0
164.04289	0.3
175.07623	0.5
181.04979	2.2
181.82507	0.3
307.08215	1.9
325.09198	4.7
325.12991	0.4
325.14374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1071
Annotation	3,4-Methylenedioxy-2'-methoxy-[2'',3'':4',3']-dihydrochalcone
Peak:m/z	Relative Intensity
51.02393	0.5
51.52744	0.5
53.03933	1.9
55.01866	0.8
57.03412	0.7
65.03948	0.8
69.03419	4.1
71.45854	0.8
77.03923	2.0
79.05485	1.6
81.03422	3.4
85.02900	2.6
89.03923	11.4
91.04916	0.6
91.05480	9.4
93.07035	1.4
94.04166	0.9
95.04960	1.1
97.02894	9.0
99.04449	0.9
101.02352	1.1
103.05461	2.2
105.03408	3.9
106.04162	0.8
107.04947	3.4
107.08578	2.1
109.02876	1.3
115.05460	1.1
117.03389	12.9
119.04964	9.4
121.06516	2.3
122.03647	2.5
123.08019	0.7
127.03904	0.9
131.04941	1.6
133.02864	62.9
134.03613	0.7
135.04428	21.0
137.05994	14.1
145.01778	1.2
145.02861	15.8
145.03993	0.8
145.06497	0.9
147.04405	5.4
147.08058	0.7
149.05998	10.0
150.06789	8.0
151.07550	2.8
157.04005	1.2
158.03624	1.3
161.05963	3.3
162.03119	0.8
163.03914	100.0
163.07536	3.2
164.04201	0.7
165.05504	7.7
165.06932	1.1
173.06023	2.2
175.03914	13.8
176.06268	1.3
177.05449	1.8
177.06990	1.9
177.26820	0.5
181.04971	2.5
186.03183	1.3
194.07281	1.3
201.05479	15.5
204.05711	0.7
205.06511	6.0
219.08000	0.6
221.05904	1.4
222.06841	2.1
231.08061	0.6
233.06020	6.8
233.08241	1.0
234.06697	0.6
237.09227	1.8
247.07477	1.1
249.05519	1.6
249.08456	0.7
250.06427	3.1
250.08649	0.8
250.66788	0.7
261.05496	2.3
264.07788	1.2
265.08649	4.2
265.11069	0.7
277.04886	1.0
278.05695	1.0
279.09985	0.8
282.08975	1.0
292.07278	2.9
293.08078	3.9
293.10950	1.6
294.08463	0.6
294.55386	0.6
307.10068	3.0
310.08328	0.6
325.10400	11.3
325.14050	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.14
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
55.01883	0.4
55.05523	0.3
56.96568	3.9
57.03421	0.8
61.02938	1.4
69.03432	2.8
71.04993	0.5
71.51125	0.4
73.02912	1.4
79.05505	1.5
81.03413	1.1
81.07047	0.8
84.08140	0.5
84.96021	0.5
85.02435	0.5
85.02910	5.8
87.04475	0.4
91.03958	0.7
91.05482	1.2
93.07079	0.3
95.08607	0.3
97.02892	2.2
98.97598	7.0
99.04465	0.5
101.00877	0.4
102.63379	0.3
103.88896	0.3
105.00166	0.3
105.07050	0.6
107.04974	0.4
107.08586	1.2
109.02876	0.6
109.06509	0.8
110.97591	1.8
112.42223	0.3
116.98617	1.6
117.05740	0.3
118.06569	3.2
119.01890	1.1
119.04943	0.5
121.06516	0.3
124.99138	0.4
127.03896	1.4
128.98602	1.5
131.00198	0.4
133.03476	0.5
133.07625	3.6
137.05981	4.2
138.06313	0.4
140.98581	0.4
141.02171	0.3
143.00203	0.5
145.07617	100.0
146.08434	2.0
146.99702	0.4
147.04395	0.5
147.09183	0.6
155.05557	0.3
158.80957	0.3
158.99643	1.8
160.02884	0.6
161.03004	0.3
163.03928	0.7
163.05048	2.5
163.08676	55.9
164.05908	0.4
166.55476	0.5
170.99623	0.3
171.03363	0.3
173.01184	0.6
175.02870	0.3
175.55969	0.4
177.00746	0.6
182.99716	0.4
187.04405	0.5
188.05934	0.7
189.04391	0.6
189.06010	0.3
197.01218	0.5
199.04536	0.4
201.00797	0.5
205.00223	0.4
211.02777	0.4
211.04610	0.3
215.02271	0.4
215.05830	0.4
219.01765	1.7
221.05092	0.7
223.02814	0.3
223.04704	0.3
223.08138	0.3
229.03915	0.5
237.02783	1.5
241.03923	0.7
242.04195	0.4
253.03857	0.3
259.04892	0.4
325.13959	85.4
326.14471	0.6
332.10297	1.0
333.08527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1433
Annotation	Ovalifoliolatin A
Peak:m/z	Relative Intensity
51.25734	0.7
52.96324	0.7
53.03938	0.7
55.70347	0.5
56.80727	0.6
57.03426	1.9
67.05505	0.9
69.03441	5.2
69.07081	1.1
69.20691	5.0
71.01351	0.7
71.05016	0.8
73.02908	0.7
73.03752	0.7
79.05486	1.5
81.03416	2.4
81.07043	1.7
85.02909	9.0
89.03915	5.0
91.05476	2.4
93.07059	1.1
95.08601	1.1
97.02303	0.8
97.02893	11.5
99.04459	1.4
103.05464	10.8
105.07047	0.9
107.04949	2.1
108.05724	2.3
109.02869	1.9
109.06532	0.9
109.10137	0.9
111.08053	0.8
115.05456	0.9
117.03382	9.5
117.07014	0.8
119.04941	0.9
119.08509	0.6
121.06519	1.4
122.03644	1.6
122.06873	0.9
123.11709	0.8
127.03932	2.7
131.04938	26.6
133.02853	0.6
135.04405	16.0
136.05199	6.1
137.05984	24.0
141.06963	1.2
144.05699	0.8
145.01767	1.1
145.02858	13.7
145.04971	2.0
147.07982	0.6
149.05969	1.2
151.07549	68.1
160.05200	2.8
163.03909	100.0
163.07544	51.2
164.04297	1.3
172.05244	1.0
175.07549	10.1
181.04982	3.0
186.06842	0.9
187.07568	5.1
190.07816	1.2
201.09158	3.7
205.10156	2.5
215.08713	0.8
218.07307	1.4
233.09618	5.4
235.07564	1.2
237.09200	0.8
247.07489	1.1
250.09773	0.9
255.49951	0.6
261.09094	3.2
262.09750	0.8
263.07114	0.9
265.08841	1.4
265.12234	4.9
276.10550	0.9
278.09256	0.9
279.10181	1.4
289.25174	0.6
293.08292	1.2
293.11710	10.6
294.12466	1.9
295.09656	1.0
297.10965	0.9
297.14008	0.8
298.78824	0.6
307.08740	1.5
307.12344	5.3
310.11911	1.8
325.09479	5.9
325.14297	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82850	0.4
56.11118	0.5
56.96545	0.7
68.05666	0.4
69.78700	1.8
93.99168	0.4
98.97575	11.5
98.98434	2.4
99.97945	0.4
101.00899	2.4
116.98625	5.2
119.01926	3.3
134.99652	1.1
140.96251	0.4
158.99940	2.0
159.99966	0.4
172.94339	0.4
174.99167	0.4
175.14590	0.4
177.00966	9.1
178.01009	1.2
182.99876	0.6
193.28204	0.4
193.36382	0.4
193.53502	0.4
199.02979	0.5
199.97964	1.1
201.00960	2.8
216.99017	0.5
217.04091	2.7
217.99069	2.5
219.02016	17.6
220.02104	2.4
223.98018	0.6
225.00824	2.7
232.96404	0.5
235.00006	0.7
236.00096	2.6
240.98926	0.5
241.99046	5.4
243.02014	14.5
244.02194	0.5
258.99933	1.3
260.00119	10.6
261.03076	100.0
261.97195	1.5
261.99994	0.9
262.03140	5.1
263.03192	0.5
265.99109	1.5
277.00922	1.2
278.01190	4.9
279.00659	0.7
279.98245	4.7
280.01050	0.9
282.99966	1.2
284.00110	34.1
284.04507	3.3
284.99805	3.3
301.00958	1.9
302.01169	32.0
303.00867	3.4
303.04395	3.0
320.02277	1.2
325.02649	0.7
326.01196	3.4
344.02228	13.2
345.01974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33780	0.7
55.01863	2.3
55.05516	17.8
55.79120	0.7
57.03436	1.2
61.02935	1.2
69.03430	2.7
69.07075	19.8
69.59982	4.1
70.06571	0.9
71.05001	0.9
75.09542	0.7
81.03419	1.4
83.08624	67.6
83.43652	0.8
84.19778	0.7
85.02910	9.5
87.08107	1.6
89.03908	2.1
90.04291	1.5
93.07059	2.6
97.02914	4.7
98.03236	1.2
98.98477	12.6
99.04498	0.8
109.02870	1.1
111.08089	22.9
117.03370	1.9
118.03719	1.1
127.03927	2.1
129.09126	100.0
135.04416	3.1
136.04778	3.4
137.06030	1.3
143.69484	0.7
145.02872	2.1
145.04945	1.4
146.03212	3.4
147.08990	1.7
147.10170	34.3
163.03912	18.5
164.04251	26.6
164.07108	0.9
166.05823	1.1
174.99315	1.6
194.15413	1.0
210.11256	1.0
308.08640	1.0
326.09619	3.0
326.19614	1.0
343.27710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06389	0.3
53.03942	0.4
55.05514	0.7
57.79009	0.3
65.03933	0.8
67.05508	7.3
67.40568	0.3
69.03407	0.5
70.08982	1.4
77.01616	0.4
78.00403	0.3
79.05498	20.3
80.14096	0.3
81.03428	2.4
81.07061	2.3
83.04991	1.0
85.02895	0.8
88.02322	0.3
91.05488	4.3
93.07043	0.4
95.04955	0.8
95.08598	0.6
98.98470	100.0
105.07052	2.5
107.04960	0.8
107.08600	33.0
109.02905	0.7
109.06520	0.5
109.10165	10.9
111.04448	6.4
116.99508	1.1
117.07001	0.5
119.04949	0.7
119.06081	0.5
121.02979	0.4
121.10181	0.5
125.09676	0.5
127.03931	1.0
135.08083	2.6
137.02342	1.1
137.05983	2.9
139.03915	3.2
143.10706	0.8
147.04492	1.6
151.03902	0.4
151.07578	0.7
153.09111	2.1
155.03401	0.8
163.03963	0.5
164.07164	0.6
174.99236	15.0
185.04500	1.7
185.09644	0.5
187.07654	0.4
201.03899	2.4
227.10675	0.6
251.00078	2.6
291.12750	0.5
327.14307	2.3
327.20117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02360	0.2
52.77271	0.1
53.03947	0.2
55.01857	0.1
56.58572	0.1
65.03938	0.3
66.04713	0.4
66.14468	0.1
67.05496	0.1
71.03329	0.2
74.94514	0.1
77.03931	0.1
79.05495	0.9
80.06274	0.2
81.07053	0.7
90.04701	0.2
90.42113	0.1
91.05486	2.6
93.07059	0.1
94.03613	0.1
94.04189	2.3
94.04784	0.2
95.04968	0.3
98.98468	3.0
105.03405	0.1
106.04200	0.2
107.04955	2.4
108.05746	0.7
109.06522	2.1
115.05456	0.3
117.07015	0.2
118.04173	0.1
119.04964	0.7
121.06528	0.6
122.03655	6.9
123.04508	0.1
123.08041	0.1
128.06218	0.3
129.07002	0.5
131.04912	0.2
131.25490	0.1
133.06459	0.1
135.04396	0.8
136.04105	0.2
136.05206	5.6
137.05983	100.0
137.46790	0.1
138.06300	0.5
143.04926	0.5
143.91792	0.1
145.06487	0.6
146.07246	0.7
149.06065	0.1
150.06723	0.2
151.07549	51.9
152.07866	0.4
153.09096	0.2
157.06516	0.7
158.07256	0.3
159.08058	0.5
160.05194	0.2
163.07578	0.1
165.09140	0.4
172.08867	0.8
173.05960	0.4
174.06784	0.8
174.99216	0.4
175.07550	1.5
177.09123	2.9
188.08344	0.5
189.09116	5.5
191.10684	0.1
203.10672	2.5
210.98257	0.1
235.11069	0.1
255.73318	0.1
264.11472	0.1
267.13803	0.1
280.10840	0.1
295.13293	0.4
296.13376	0.2
327.15897	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	6.2
53.04173	1.1
55.01870	2.1
55.05515	6.0
57.03424	1.1
57.07057	3.2
65.03948	1.2
67.05249	0.9
67.05511	10.8
69.03421	1.7
69.07069	5.4
71.05000	1.5
76.13229	1.0
77.03956	1.1
79.05497	9.3
81.03407	2.1
81.07055	16.0
83.08614	2.4
85.06538	1.9
91.05490	16.6
93.07048	31.7
95.04978	30.1
95.08611	22.3
96.77873	1.0
97.06538	7.4
98.98474	100.0
103.05476	1.2
105.04520	3.2
105.07036	25.8
107.08601	14.3
109.06516	5.1
109.10172	9.9
115.05431	2.2
117.07021	6.0
119.08584	26.1
121.06532	7.1
121.10152	14.3
123.08073	4.3
123.11695	4.0
127.65794	1.1
128.06258	2.8
129.07008	4.4
130.07832	1.8
131.08574	11.8
133.06511	1.9
133.10144	19.4
135.08061	3.3
135.11696	5.9
137.05968	6.4
137.09613	2.9
140.59254	1.0
141.07002	2.5
142.07747	5.0
143.08565	8.2
144.09326	4.3
145.10117	18.2
146.52376	1.1
147.08000	1.3
147.11678	7.6
149.09634	1.8
151.07549	3.6
152.06232	11.0
153.06985	7.8
154.07782	1.2
155.08592	3.3
156.09375	4.3
157.10144	12.0
158.10939	2.6
159.08099	2.3
159.11716	15.1
161.09644	6.1
161.13254	3.4
165.09111	1.2
167.08560	1.6
168.05705	2.3
169.10086	5.0
170.10922	1.1
171.11694	7.0
173.13261	7.2
174.99236	14.6
175.14835	9.0
179.06198	1.3
179.08435	2.2
181.10138	2.4
182.11011	1.4
183.11714	5.7
185.13235	4.3
187.11165	4.8
187.14851	5.6
189.16464	1.5
195.11745	3.1
196.12500	1.7
197.13287	4.7
199.14844	4.1
201.16344	1.8
205.16032	1.3
209.13345	3.9
211.14856	4.0
215.02573	3.4
215.14330	1.6
223.14851	1.5
225.16324	2.4
227.14279	1.7
228.09314	2.5
229.15941	1.2
233.03624	6.7
235.14877	2.7
251.00050	2.9
251.04749	3.8
253.16017	2.1
291.21307	1.5
309.22171	3.4
327.07852	41.1
327.23190	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	328.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11924	0.6
55.05519	0.7
57.03437	1.7
59.05011	17.7
60.65985	0.6
61.02937	0.8
63.57073	0.5
69.03441	1.6
70.06607	1.5
70.94827	1.2
72.08162	1.4
73.06564	100.0
81.03429	1.1
85.02917	7.4
85.03397	0.9
86.09728	2.6
95.49142	0.6
96.85843	0.6
97.02914	1.7
98.98477	18.0
108.86088	0.6
109.02930	0.9
116.07124	2.2
117.09142	5.7
120.08133	2.6
123.36381	0.7
127.03922	1.1
131.10701	10.5
137.06018	1.7
145.05026	0.8
147.04506	0.7
148.07593	6.7
148.08585	0.7
149.11746	53.7
150.09180	0.9
163.28395	0.6
166.08742	2.5
174.99246	1.5
175.07585	1.1
176.07065	0.7
190.08641	7.7
328.15506	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52657	1.2
53.03939	1.6
55.01865	5.2
55.05514	50.9
57.03424	1.4
59.04991	1.7
67.05503	17.5
69.03423	5.9
69.07076	17.5
70.45330	4.3
79.05079	1.8
79.05497	24.7
81.06651	1.8
81.07059	17.7
83.04985	5.3
83.08154	2.3
83.08621	39.1
85.06548	3.3
91.05482	8.7
93.07050	10.0
95.04964	1.6
95.08597	5.7
97.10172	71.1
98.98472	71.0
105.07031	13.5
107.04938	2.0
107.08598	85.6
109.10152	3.3
111.08091	1.6
116.99429	1.8
117.07016	3.1
119.08584	7.3
121.10138	3.7
123.11665	1.7
124.11234	2.0
125.09637	68.7
131.08563	2.4
133.10126	8.2
135.08067	5.1
135.11664	2.2
137.05971	6.2
138.06287	5.0
143.10704	4.8
145.10121	7.0
147.11696	6.4
149.09608	5.3
151.07515	4.1
152.07938	4.2
153.09045	1.7
159.11633	2.3
161.13272	2.2
171.10168	13.9
171.11531	2.1
173.13197	1.4
174.99266	7.0
176.98882	1.7
179.76953	1.6
181.12224	3.3
189.11227	100.0
239.18004	2.8
243.78806	1.5
257.18958	7.8
275.20071	81.3
293.21091	7.6
322.59821	1.3
335.79623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01868	3.6
55.05510	29.8
57.03424	4.7
59.04996	2.3
67.05508	58.1
69.03412	3.7
69.07066	17.2
70.77472	1.7
71.04987	4.5
71.37823	3.2
79.05497	64.7
81.03422	5.3
81.07061	35.8
83.04967	4.1
83.08618	16.7
85.06558	3.9
91.05486	38.1
93.07049	62.1
95.04960	14.8
95.08080	2.2
95.08621	33.1
97.06514	6.2
97.10163	17.0
98.98473	100.0
105.04484	2.6
105.07044	25.3
107.04931	3.6
107.08606	28.2
109.06526	3.3
109.10159	34.5
111.08096	4.0
116.99480	2.2
117.07024	8.3
119.08582	23.2
121.10150	35.8
123.08068	4.9
123.11681	3.1
125.09631	15.7
129.07005	1.9
131.08585	11.1
133.10139	15.9
135.08055	5.0
135.11716	5.5
137.05951	7.0
137.09599	12.6
138.06296	1.9
139.11206	3.0
145.10109	8.5
147.11707	10.7
149.09576	4.3
149.98586	1.9
151.07559	3.5
152.07874	2.4
155.10684	7.4
157.10109	2.6
159.11719	7.0
161.13272	2.5
163.11160	2.6
163.14934	2.2
172.13348	2.2
173.11742	16.0
173.13194	3.6
174.99211	10.7
176.98991	3.0
189.11217	10.4
193.12241	3.0
209.15414	3.0
210.50963	1.6
211.13336	4.5
221.26190	1.8
223.13351	1.9
229.19510	2.3
241.97244	1.8
257.19009	2.2
292.22443	2.4
293.21118	7.1
341.75769	2.1
354.82791	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	329.1385
Annotation	Hirsutanone
Peak:m/z	Relative Intensity
53.03925	0.6
55.83407	0.6
60.77672	0.5
62.20785	0.5
65.03931	1.0
65.66480	0.6
67.05501	0.7
69.03425	1.8
70.06588	1.6
71.09744	1.4
72.08145	1.0
79.05482	2.0
81.03421	1.3
81.07069	1.2
84.08151	1.4
85.02912	8.2
85.06546	3.7
86.09718	0.9
89.03876	0.5
91.05503	2.8
93.07023	1.1
94.04187	1.9
97.02906	1.9
98.98472	100.0
99.04459	0.7
100.98861	1.0
103.05460	2.4
107.04945	0.9
109.02906	1.2
109.06514	2.5
115.05483	4.9
116.06222	0.5
116.44728	0.6
116.99490	1.6
117.07019	2.9
119.04961	3.5
121.06501	5.4
122.03681	4.5
125.06007	0.8
127.03911	3.0
129.10281	1.3
131.04922	2.2
137.05988	63.2
139.11220	1.4
143.04927	2.7
144.05724	3.1
145.05038	1.6
145.06482	5.0
147.04417	8.8
149.06001	2.8
153.05519	1.5
160.05200	10.3
161.05978	1.5
163.07611	1.5
164.07109	0.8
167.07011	0.8
167.10632	1.1
172.05215	3.1
173.05943	0.6
174.99240	8.6
175.07559	30.5
176.98909	4.7
177.05464	0.7
177.09158	1.8
187.07558	24.1
188.08313	0.6
189.07069	0.6
190.07794	0.6
191.07039	1.2
191.08586	1.4
205.08571	3.1
208.08859	0.8
209.09468	0.6
219.08066	4.4
227.07069	0.8
235.07452	0.6
236.08417	1.0
240.07884	0.8
245.06470	0.6
246.53844	0.7
247.07568	2.8
248.08501	0.7
250.99925	1.0
251.10686	2.6
252.99782	1.5
253.08693	1.2
255.06473	1.0
264.07913	1.7
265.08740	0.8
268.07413	1.4
270.08936	1.9
279.10178	5.4
280.10931	1.0
281.08066	1.0
283.09637	6.2
296.10593	0.8
299.12866	0.7
311.09540	0.9
311.12790	20.5
312.12756	0.6
329.14005	2.2
350.42157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1385
Annotation	Hirsutanone
Peak:m/z	Relative Intensity
54.11686	0.7
58.83817	0.9
67.95156	0.7
68.96448	0.7
69.03436	0.9
69.56303	3.4
78.22481	0.9
79.05489	2.3
81.03420	1.2
81.07059	3.0
82.30200	0.7
85.02898	2.4
91.05488	4.5
91.42659	0.7
93.03374	0.9
93.07055	6.8
94.04187	3.6
95.04948	1.3
95.08636	0.9
98.98479	28.2
103.05491	2.1
105.04574	0.7
105.07034	1.6
107.04968	1.2
109.06519	4.4
111.04472	0.8
111.08063	0.9
115.05479	5.7
117.07049	6.5
119.04989	0.9
121.10153	8.3
122.03672	8.0
123.11715	0.7
125.06017	1.0
131.04929	3.5
137.05994	100.0
139.01465	0.8
139.11220	1.3
143.04933	4.6
144.05737	4.2
145.06493	7.6
147.04375	0.8
147.08116	0.8
149.05986	5.1
150.09158	7.1
151.07576	1.1
153.05473	2.2
160.05211	15.3
161.06013	1.7
163.07602	2.0
167.10681	1.2
167.91524	0.7
172.05234	6.2
174.99274	3.0
175.07564	53.4
176.98972	1.1
177.09109	5.0
187.07562	44.0
188.08081	1.0
190.07819	1.4
191.07092	1.5
191.08626	3.2
205.08574	4.5
207.07965	0.8
208.08926	1.1
208.94559	0.8
218.07288	1.7
219.08047	9.4
221.05965	1.5
223.26686	0.7
227.06964	0.9
236.08350	2.3
240.07884	2.9
247.07668	4.2
248.08401	1.1
251.10715	5.1
253.08704	2.3
255.06686	1.2
261.09174	1.6
264.07932	2.8
265.08609	1.4
268.07336	3.2
270.08969	3.5
279.10214	11.7
280.10822	0.8
281.08185	1.8
283.09686	12.1
283.12692	1.3
296.10480	3.2
311.09219	1.8
311.12802	32.5
329.10220	1.4
329.13913	4.1
333.97284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1384
Annotation	Hirsutanone
Peak:m/z	Relative Intensity
55.69035	0.7
64.07539	0.7
65.03942	1.0
69.93433	2.4
76.21282	0.6
79.05486	2.2
81.07044	2.3
85.06535	0.9
91.05476	2.5
93.03414	1.3
94.04191	4.0
98.20850	1.0
98.98466	20.0
101.02783	0.6
103.05461	2.2
105.85371	0.6
107.04987	1.3
107.23964	0.6
109.06503	3.3
115.05470	5.6
117.07030	5.8
119.04939	1.3
122.03638	7.6
125.06029	1.2
131.04921	3.1
137.05981	100.0
143.04953	4.0
143.05962	0.7
144.04738	0.7
144.05684	4.6
144.98738	0.7
145.06490	7.6
146.03674	1.0
147.08012	1.0
149.05975	3.3
151.07520	1.1
153.05438	2.1
160.05199	15.0
161.05998	1.4
163.07545	2.1
168.82101	0.8
172.05182	7.6
174.99229	2.4
175.07553	55.1
176.07907	0.9
176.28575	0.7
176.98915	1.1
177.09149	4.8
187.07547	41.3
188.08160	1.1
190.07860	1.7
191.07051	1.4
191.08595	4.1
205.08594	5.2
207.08064	1.0
208.08850	1.0
218.07297	1.2
219.08055	8.7
225.05643	1.0
227.07051	1.1
233.09779	0.7
235.07581	1.6
236.08356	1.0
240.07954	1.7
247.07549	5.3
248.08447	1.5
249.05423	0.9
251.10677	4.6
253.08528	1.7
255.06602	1.4
264.07800	2.2
265.08575	0.9
268.07272	2.8
270.08826	3.2
279.10162	12.1
281.08246	1.3
283.09668	12.0
293.11789	1.0
296.10379	3.5
298.26443	0.7
309.40582	0.7
311.12781	29.6
329.13797	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1383
Annotation	Hirsutanone
Peak:m/z	Relative Intensity
65.03957	0.9
66.91599	0.7
69.03419	0.9
70.06625	1.7
70.76776	0.8
71.51603	0.9
72.08167	1.0
79.05477	3.0
81.03412	1.0
81.07076	2.2
82.57818	0.7
85.02875	0.8
86.09716	0.9
87.91536	0.8
89.03907	1.9
91.05487	4.6
93.03448	1.0
93.07027	1.5
94.04192	1.9
98.98472	99.8
103.05463	2.7
105.07018	1.2
107.04944	1.8
109.02870	0.9
109.04239	0.8
109.06527	4.2
111.04442	1.1
115.05483	7.2
116.99541	1.1
117.03390	6.9
117.07040	6.4
119.04937	2.3
120.08040	0.9
121.06527	1.5
122.03666	7.8
123.04453	1.3
127.03918	1.0
131.04916	2.5
132.05638	0.9
135.04468	1.1
136.07571	1.1
137.05986	100.0
143.04892	3.9
144.05730	5.5
145.02858	15.3
145.06496	6.2
146.03583	1.1
147.04413	1.2
149.06012	6.5
151.07553	3.1
153.05536	1.8
160.05202	12.8
161.05992	2.8
163.07535	1.9
165.06979	0.8
166.08687	1.6
167.08975	2.4
167.10655	1.4
172.05185	5.7
173.05846	1.3
174.99261	10.7
175.07555	54.4
175.50932	0.9
176.98914	6.2
177.05479	31.0
177.09006	3.9
179.07085	1.0
185.08080	1.1
187.07552	40.2
188.08101	0.9
190.07791	1.3
191.07037	1.1
191.08586	3.9
193.06589	1.3
205.08617	5.1
208.08902	1.8
219.08067	8.7
219.16968	0.7
221.06111	4.0
225.09135	2.1
233.09633	1.0
235.07564	1.4
236.08377	2.4
240.07811	3.1
247.07542	5.9
248.08543	1.0
251.00145	0.9
251.10704	5.4
251.13231	0.7
252.99744	2.5
253.08618	1.9
255.06494	1.5
261.09152	1.4
264.07776	2.2
265.08453	1.0
267.10208	2.4
268.07236	3.6
270.08920	4.2
279.10208	12.4
280.10913	2.1
281.08167	1.1
283.09692	11.7
285.11218	8.1
286.63428	0.8
296.10522	1.9
299.12784	2.6
311.12805	30.3
329.13498	4.0
345.01529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1385
Annotation	Hirsutanone
Peak:m/z	Relative Intensity
53.03937	0.8
55.01881	0.5
55.05513	0.8
55.35608	0.5
55.62848	0.4
57.03434	1.0
65.03932	1.0
67.05503	0.8
69.07062	2.0
70.67085	0.6
70.67416	1.0
71.87544	0.4
74.51120	0.4
79.05492	3.4
81.07063	3.5
83.04969	0.8
91.05492	4.0
93.03440	0.8
93.07111	0.6
94.04182	3.0
95.04974	1.3
95.08603	0.6
97.06535	10.5
98.98475	37.2
103.05464	2.2
107.04965	1.5
109.06519	3.2
111.04425	0.6
111.77872	0.5
115.05475	5.3
117.07020	5.3
119.04955	1.1
122.03653	7.1
123.04446	14.5
125.06009	1.4
129.06990	1.2
131.04956	3.3
131.08620	0.5
135.04401	0.7
137.02432	4.3
137.05989	100.0
138.06328	4.3
139.06572	2.9
143.04933	4.2
144.05698	3.5
145.06508	6.9
146.03688	0.6
147.04439	0.6
147.08063	0.5
149.05983	4.6
151.03917	4.0
151.05011	0.6
151.07507	1.0
153.05482	2.4
157.06537	0.6
159.08093	0.9
160.05220	9.1
161.05988	2.8
163.07530	3.6
165.07027	0.6
172.05219	4.3
173.06029	1.3
174.99280	2.5
175.07562	36.4
176.98970	2.0
177.09119	5.2
185.06079	0.6
185.09674	1.3
187.07561	31.6
188.08133	0.9
189.09148	0.5
190.06311	0.5
190.07832	1.0
191.07100	2.6
191.08618	2.3
197.09657	1.0
199.07549	0.9
199.51089	0.5
201.09169	1.6
205.08659	4.5
207.08081	0.6
208.05356	0.6
208.08902	1.2
209.09612	0.8
211.07608	0.7
211.11205	1.0
213.09071	1.5
215.10683	5.6
218.07318	1.0
219.06197	0.9
219.08081	7.6
220.08841	0.7
221.06053	0.7
225.09122	0.7
227.07013	0.6
231.10283	0.6
232.10968	0.7
233.09535	0.6
233.11763	1.1
235.07559	1.0
236.08324	1.6
237.09027	0.9
240.07787	1.2
243.10109	0.6
247.07527	4.2
248.91068	0.5
251.00055	0.6
251.10701	4.9
252.99731	0.7
253.08685	1.3
255.06624	1.1
261.08942	1.2
264.07861	1.8
265.08612	1.2
267.13812	0.9
268.07397	1.7
269.08191	1.1
270.08890	2.8
279.10175	9.7
280.11044	0.8
281.08197	1.4
283.09662	6.1
285.14886	1.5
287.12827	0.8
293.08102	0.5
293.11813	0.6
293.15405	0.7
296.10419	1.9
299.09177	2.2
299.12787	1.1
301.10654	0.6
311.12827	24.5
311.16400	2.3
315.08591	1.7
329.06354	0.8
329.10156	6.2
329.13742	9.1
329.17581	5.8
329.21268	0.8
330.10855	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.83407	0.6
60.77672	0.5
62.20785	0.5
65.03931	1.0
65.66480	0.6
67.05501	0.7
69.03425	1.8
70.06588	1.6
71.09744	1.4
72.08145	1.0
79.05482	2.0
81.03421	1.3
81.07069	1.2
84.08151	1.4
85.02912	8.2
85.06546	3.7
86.09718	0.9
89.03876	0.5
91.05503	2.8
93.07023	1.1
94.04187	1.9
97.02906	1.9
98.98472	100.0
99.04459	0.7
100.98861	1.0
103.05460	2.4
107.04945	0.9
109.02906	1.2
109.06514	2.5
115.05483	4.9
116.06222	0.5
116.44728	0.6
116.99490	1.6
117.07019	2.9
119.04961	3.5
121.06501	5.4
122.03681	4.5
125.06007	0.8
127.03911	3.0
129.10281	1.3
131.04922	2.2
137.05988	63.2
139.11220	1.4
143.04927	2.7
144.05724	3.1
145.05038	1.6
145.06482	5.0
147.04417	8.8
149.06001	2.8
153.05519	1.5
160.05200	10.3
161.05978	1.5
163.07611	1.5
164.07109	0.8
167.07011	0.8
167.10632	1.1
172.05215	3.1
173.05943	0.6
174.99240	8.6
175.07559	30.5
176.98909	4.7
177.05464	0.7
177.09158	1.8
187.07558	24.1
188.08313	0.6
189.07069	0.6
190.07794	0.6
191.07039	1.2
191.08586	1.4
205.08571	3.1
208.08859	0.8
209.09468	0.6
219.08066	4.4
227.07069	0.8
235.07452	0.6
236.08417	1.0
240.07884	0.8
245.06470	0.6
246.53844	0.7
247.07568	2.8
248.08501	0.7
250.99925	1.0
251.10686	2.6
252.99782	1.5
253.08693	1.2
255.06473	1.0
264.07913	1.7
265.08740	0.8
268.07413	1.4
270.08936	1.9
279.10178	5.4
280.10931	1.0
281.08066	1.0
283.09637	6.2
296.10593	0.8
299.12866	0.7
311.09540	0.9
311.12790	20.5
312.12756	0.6
329.14005	2.2
350.42157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
57.03430	1.2
67.05505	2.0
69.07073	2.9
71.20558	2.7
79.05479	5.6
81.07037	2.8
83.04958	2.2
89.24082	1.1
91.05477	20.0
92.56956	1.1
93.07030	2.4
95.04980	1.8
97.06534	12.2
98.98470	100.0
103.05462	4.7
105.03385	1.6
105.07033	3.9
105.47431	1.2
107.04963	6.7
109.06541	1.7
111.04437	2.1
115.05461	3.4
117.07008	1.6
119.04943	15.8
121.06512	2.7
122.03616	1.2
123.04440	2.2
128.06252	3.6
129.07030	11.3
131.04921	6.5
133.06442	1.4
135.04427	60.2
135.08055	2.9
137.05978	21.9
141.06975	2.5
145.06451	3.1
147.04437	3.0
148.05240	2.5
149.02330	5.3
149.05991	66.1
151.07553	9.5
152.06157	6.4
153.07002	1.5
154.07751	1.6
155.08574	2.2
157.06511	10.6
159.04436	1.7
160.05267	1.6
161.06026	8.8
163.07568	11.4
165.05566	2.5
165.06989	17.3
165.09084	2.0
166.07817	3.3
167.08582	25.4
169.06517	1.4
172.05208	1.5
173.05907	3.2
173.09598	1.5
174.06770	4.6
174.99252	12.3
175.07532	7.4
176.98880	4.2
177.07022	4.5
178.07790	10.1
179.08569	3.3
181.06493	5.6
181.10211	2.1
182.07291	3.8
183.08040	3.5
185.05916	2.5
185.09633	1.9
186.06779	1.2
187.07535	6.1
189.09138	12.8
193.06467	6.1
193.10165	11.4
194.07288	2.6
195.08073	38.4
196.08708	1.4
197.05969	3.1
197.09593	3.3
199.07533	2.5
202.07811	1.7
203.08553	3.0
205.06467	2.3
206.07327	3.3
207.08171	2.6
207.10184	6.6
209.05925	3.2
210.06764	4.3
211.07571	3.5
211.11230	2.2
212.08398	2.8
213.09177	2.7
215.10687	7.7
221.06105	7.2
221.09595	14.5
222.06734	3.6
223.07527	23.2
224.08379	2.0
225.05568	3.2
225.09123	26.3
227.07042	1.9
227.10678	16.6
237.09023	2.3
238.06197	2.3
239.07088	2.4
239.10628	1.9
240.07835	3.6
249.09163	5.1
251.07074	15.2
251.10695	15.1
252.99869	1.6
253.08632	27.0
255.10155	17.4
265.08615	4.5
267.06543	6.2
267.09830	1.7
267.13809	2.0
268.07172	2.9
270.08902	4.2
279.10251	7.1
282.08911	3.6
283.09695	30.7
283.16681	1.4
285.11230	87.4
297.11191	2.4
311.12732	18.3
311.16397	4.8
329.13852	8.2
329.17517	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	329.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.9
67.05495	1.1
69.03430	1.6
70.96394	1.5
79.05499	2.6
81.03409	1.2
81.07053	2.6
83.04971	0.6
85.02892	1.5
85.06532	2.8
89.03909	0.7
91.05484	3.3
93.03375	1.1
93.07059	4.0
94.04166	2.5
95.04951	1.1
95.08603	1.1
97.02905	1.0
97.06568	1.0
98.98471	76.6
100.98897	0.8
103.05453	2.2
105.07050	1.1
107.04963	2.3
107.08585	0.8
109.02914	1.1
109.06499	3.0
109.10240	0.7
111.04415	0.7
115.05468	7.8
116.99472	0.9
117.07023	7.0
119.04990	1.1
119.08581	1.0
121.06474	0.7
121.10202	3.5
122.03646	7.2
123.08086	0.8
125.05996	1.5
127.03947	1.1
131.04945	3.7
132.05746	0.7
137.05983	100.0
139.07631	0.6
139.11160	1.0
143.04944	3.9
144.05696	5.3
145.06517	5.7
146.03590	1.0
147.08057	0.9
149.05972	4.2
149.09605	7.5
151.03943	0.8
151.07532	1.2
153.05469	1.8
159.08046	0.8
160.05217	16.3
161.05981	1.4
163.07564	2.8
167.08934	0.5
167.10721	1.8
172.05183	5.8
173.05951	0.7
174.99242	8.5
175.07552	52.4
176.98935	4.8
177.09108	4.0
185.08185	0.7
187.07550	43.0
188.08134	0.8
190.07886	1.2
191.07106	1.3
191.08595	3.7
205.08559	5.2
207.08066	1.0
208.08873	1.2
209.09705	0.7
218.07266	1.1
219.08104	6.5
227.07118	1.3
228.40619	0.7
233.09743	0.7
235.07574	1.5
236.08339	1.9
237.09001	0.7
238.06459	0.6
240.07861	2.8
247.07571	5.4
248.08377	1.4
251.10620	3.5
252.99884	1.8
253.08607	1.3
255.06544	1.1
261.09213	1.2
264.07950	3.2
268.07227	3.2
270.08783	3.3
279.10129	11.8
280.10812	1.3
281.08163	1.0
283.09647	12.8
293.11844	0.8
296.10272	3.6
299.12973	1.0
311.12787	34.3
329.06625	1.9
329.14001	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	329.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.3
67.05505	0.4
69.03423	0.4
70.25969	0.9
72.08149	0.4
79.05495	0.7
81.07061	0.3
85.02894	0.4
91.05453	0.6
93.07041	0.6
95.04965	0.5
95.08610	0.3
97.02903	0.3
98.98466	50.4
100.98876	0.4
105.07086	0.3
107.04950	0.4
107.08611	0.6
116.98621	0.3
116.99512	0.8
119.04982	0.6
121.06507	0.5
123.04402	0.3
123.08063	0.4
127.03867	0.3
127.08662	0.2
128.42274	0.3
133.08412	0.3
137.05984	2.0
139.07556	0.3
147.04404	0.8
149.06070	0.3
158.99628	0.3
164.06973	0.3
165.05550	0.4
165.07330	0.3
166.08627	0.3
167.07022	0.5
169.04678	0.5
174.99228	5.4
175.07590	0.3
176.98930	2.7
177.00500	0.3
183.09999	1.2
184.03795	0.3
193.04913	1.0
202.04970	0.6
224.04372	0.3
251.00063	0.6
252.99767	0.7
285.02850	0.5
290.51749	0.3
303.03903	0.3
327.03848	0.6
329.15695	100.0
330.15878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.05510	0.3
56.96305	0.3
56.96567	3.0
57.03427	0.7
61.02907	0.9
67.05511	1.9
67.38419	0.2
69.03439	1.7
69.34586	1.6
69.61742	0.2
70.06592	0.2
70.98133	0.3
71.95261	0.3
72.08147	0.2
72.98137	0.2
73.02905	0.7
79.05492	2.1
81.03418	0.4
81.07061	0.5
81.84583	0.2
84.08155	0.2
84.96046	0.4
85.02908	3.1
86.09708	0.3
91.03954	0.3
91.05469	1.6
93.07031	1.1
95.04990	1.2
95.08615	1.1
97.02897	1.9
98.45941	0.2
98.97578	6.8
98.98456	6.3
99.04471	0.3
99.97893	0.2
101.00878	0.6
103.05495	0.3
105.00163	0.3
105.07025	0.9
106.30774	0.2
107.04961	0.2
107.08594	0.7
109.02882	0.4
109.06539	0.5
110.01289	0.3
110.97598	1.4
110.98222	0.2
112.99136	0.3
115.02428	0.2
116.98642	1.4
116.99318	0.3
117.02016	0.2
119.01899	1.0
119.04936	0.9
121.02313	0.6
121.06532	2.0
123.01206	0.2
123.08079	2.2
127.00642	0.2
127.03901	0.8
128.98624	0.8
130.02834	0.3
130.93318	0.6
134.99634	0.3
135.08136	0.3
137.05984	1.4
140.98601	0.3
143.00108	0.5
143.01921	0.3
145.04941	0.5
146.99669	0.3
147.03368	0.2
147.04375	1.2
149.05942	1.3
150.05513	0.6
157.03387	0.7
158.99663	2.2
159.03223	0.3
161.01381	0.3
161.02805	0.4
163.03401	0.3
165.05492	0.5
166.05753	0.3
167.07021	0.9
168.06526	0.3
169.04730	0.4
170.99707	0.4
172.03839	0.5
172.94353	1.8
173.03001	0.3
174.99228	0.8
176.99048	0.5
177.00703	1.1
177.02292	0.5
179.00180	0.6
179.03828	0.3
180.03729	0.7
180.05374	0.2
183.08598	0.5
183.10036	0.6
184.03931	0.4
190.95370	0.7
193.04535	1.7
195.03282	0.4
197.01219	0.8
199.08159	0.4
201.00711	0.5
201.04301	0.2
201.09776	0.4
202.04918	2.4
205.01825	0.4
205.05586	0.3
211.05806	0.7
214.95430	0.7
215.02165	0.4
215.03850	0.8
215.95728	0.3
219.01805	0.8
223.02800	0.7
224.04442	1.2
224.08142	0.2
225.09740	0.7
226.99017	0.3
232.96532	1.1
233.96822	0.7
237.02779	0.5
241.03835	0.9
243.10625	0.3
248.96010	0.3
250.97461	0.3
252.11009	0.3
259.04840	0.6
267.01837	0.2
283.04800	0.3
284.99799	0.4
285.02869	1.1
288.99283	0.4
303.00784	0.4
303.03925	1.0
307.00113	0.4
309.02863	0.4
311.13785	0.3
327.03806	2.9
328.04196	0.3
329.15710	100.0
330.16071	0.8
345.04922	0.3
346.05035	0.2
346.99652	0.4
347.05444	1.0
347.15594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01884	0.4
55.05511	1.2
57.03430	2.1
58.97195	0.4
67.05505	1.4
69.03433	3.2
69.07092	2.2
71.04997	0.7
75.04487	1.8
76.38663	0.4
77.01593	0.5
79.05496	4.0
81.03419	2.2
81.07077	2.6
83.04971	0.5
85.02905	3.1
88.80819	0.3
90.24503	0.3
90.86772	0.4
91.05481	3.3
93.07053	20.4
95.04998	1.0
95.08626	1.7
97.02916	0.7
97.06536	11.4
98.98474	100.0
99.04464	0.7
100.98901	0.9
103.05481	0.8
105.07050	2.2
107.08604	0.9
109.02899	1.3
111.08100	1.0
115.05463	0.8
116.99506	1.3
117.07038	0.5
119.08591	4.5
121.03012	0.4
121.06493	1.0
121.10155	29.7
123.08060	1.0
125.02322	0.6
125.06044	0.5
127.03942	0.8
129.07013	1.2
131.08583	1.8
133.07675	0.5
133.10143	0.6
137.05981	2.3
138.06357	0.9
139.11171	2.5
140.01129	0.7
141.06970	0.7
143.08568	0.6
145.05011	0.6
145.06496	0.8
145.10135	0.6
147.04407	2.6
149.05978	1.5
149.09619	7.2
151.07576	0.9
152.07956	0.8
154.07779	0.7
155.08681	0.4
157.06546	0.5
157.10107	0.8
159.08141	0.6
159.11699	0.6
161.06058	0.7
163.07507	0.5
167.03543	0.4
167.06966	0.5
167.10696	11.4
169.06509	0.6
169.10135	1.1
171.08046	0.6
173.09642	0.8
174.99246	10.8
175.03915	1.8
175.07596	1.4
176.98930	5.7
177.09109	0.5
179.08578	0.5
185.06039	1.1
185.09663	1.3
185.11652	0.4
186.06810	0.8
187.07578	1.3
187.11224	0.8
189.09193	0.7
191.07008	0.6
195.08218	0.5
197.09645	1.4
199.07605	1.3
199.11293	0.5
201.09076	1.8
203.03409	10.0
203.05222	0.7
203.07054	0.8
204.07991	0.4
205.12262	0.7
209.09616	0.7
211.11270	0.6
213.05574	0.6
213.09152	2.0
214.09877	1.6
215.10693	7.2
220.56648	0.4
227.07111	1.0
229.12315	1.2
231.10239	1.4
232.10980	2.1
233.11787	1.4
239.14366	0.6
250.65410	0.4
251.00002	0.9
252.99820	2.0
261.11481	0.4
267.13721	0.5
273.07544	1.4
283.16891	0.6
285.14929	1.5
287.12790	1.3
293.13876	1.0
301.07248	0.9
311.16327	3.2
311.20032	0.9
314.07770	0.5
329.06604	18.4
329.10007	1.2
329.17496	6.3
329.24713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.05502	2.3
57.03437	1.7
57.07062	1.7
60.67856	0.6
63.65495	0.6
67.05501	4.1
69.03432	0.8
69.07073	7.4
69.40855	1.4
69.41261	2.4
77.77495	0.7
79.05489	4.2
81.07058	8.8
83.08631	3.2
88.80914	0.5
91.05482	2.1
93.07040	4.9
93.21235	0.6
95.04985	0.9
95.08134	0.7
95.08620	6.7
97.06532	24.0
97.10170	2.6
98.98467	100.0
99.08121	0.9
107.08593	3.0
109.10155	5.2
111.11726	1.3
116.99470	1.6
117.07024	1.0
119.08586	1.1
121.06484	1.1
121.10153	2.9
123.11731	2.7
125.13238	1.3
128.06247	1.1
129.06995	0.8
131.08556	0.7
133.10164	0.8
135.08073	0.8
135.17070	0.6
137.05988	3.7
137.13263	1.5
141.06934	1.0
143.08527	1.0
145.10143	1.0
149.05994	1.3
149.09662	0.9
149.13283	1.8
151.14827	1.2
155.14285	0.7
157.06544	1.1
157.10130	0.9
159.07965	1.0
161.06003	0.8
165.07159	0.7
165.16391	0.7
167.10738	1.5
167.14299	1.1
169.10072	1.1
171.08066	0.7
171.73495	0.6
173.05977	1.1
173.09712	0.7
174.99213	9.1
175.07545	1.4
176.98900	4.4
179.08528	0.8
183.08156	0.7
185.06029	0.6
185.09694	1.1
186.06798	1.0
187.07581	1.6
189.05363	0.8
191.07094	0.8
195.08115	1.2
197.09630	1.3
199.07526	1.5
199.11295	1.2
201.09100	1.1
209.09624	0.8
211.11064	1.4
213.09052	3.1
214.09756	1.1
215.10674	8.3
223.07608	0.6
225.09177	1.3
227.10548	0.7
229.12329	1.6
231.10069	0.9
232.10991	1.0
233.11769	1.9
238.10043	0.7
241.12276	0.8
243.10162	0.9
250.99933	0.8
252.99815	2.2
267.13831	2.6
285.11948	0.8
285.14838	4.4
287.12726	1.0
293.28516	1.6
311.13263	0.9
311.16550	6.3
315.08810	0.6
329.13873	1.2
329.17426	7.7
339.69846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36367	0.4
53.03938	0.5
55.01844	0.7
55.05507	1.4
57.03429	1.3
57.07070	0.4
67.05499	2.2
69.07069	4.4
69.42605	3.0
71.05013	0.5
71.06334	0.4
76.52173	0.4
79.05489	3.6
81.03408	0.7
81.07064	4.8
83.04962	0.7
83.08619	0.9
85.06544	0.6
88.97203	0.4
91.05477	1.6
93.07043	1.7
94.04190	0.5
95.04980	1.1
95.08604	4.7
97.06535	20.3
97.10167	1.1
98.98470	100.0
99.08047	0.4
100.98839	0.5
103.05441	0.8
105.07037	0.7
107.08604	1.6
109.02892	0.6
109.06522	0.9
109.10166	2.4
111.11751	1.1
115.05525	0.4
116.99492	1.3
117.07027	1.3
119.08602	0.5
121.06516	0.5
121.10179	1.7
122.03664	0.9
123.04391	0.8
123.08073	0.5
123.11739	1.1
125.13287	0.7
129.07010	0.8
131.04939	1.3
131.08575	0.9
133.10159	0.8
137.05978	12.7
137.13261	0.6
138.06265	0.4
140.01038	0.6
141.06963	0.8
143.04861	0.8
143.08568	0.8
144.05714	0.6
145.06494	1.9
145.10143	0.8
149.05992	1.7
149.13287	1.2
151.04033	0.5
151.07585	0.6
155.08556	0.7
157.10104	0.7
159.08035	0.8
160.05200	1.7
161.06068	0.6
163.07574	0.9
165.06941	0.5
167.08536	0.5
167.10689	0.6
169.06494	0.5
169.10121	1.1
172.05222	0.7
173.05975	0.7
173.09596	0.6
174.99245	9.8
175.07555	5.8
176.98911	4.2
177.09128	1.0
181.06514	0.5
182.07272	0.5
183.08116	0.5
184.05267	0.5
185.09595	1.3
186.06738	0.6
187.07574	4.2
189.09155	0.6
191.07074	0.7
191.08626	0.5
195.08005	0.5
197.09641	1.3
199.07593	0.6
199.11163	1.0
201.09113	0.9
203.10727	1.0
205.08664	0.5
205.12213	0.6
209.09558	0.8
211.11237	1.0
213.09109	2.6
214.10028	0.7
215.10707	6.9
219.08144	0.8
225.09077	0.6
227.10640	0.6
229.12236	1.2
231.10204	0.7
233.11720	1.6
237.12552	0.5
238.09885	0.7
239.10736	0.5
239.14336	0.5
241.12245	0.4
243.10234	0.7
247.07605	0.7
251.00278	0.8
251.10620	0.9
252.99779	1.6
257.15384	0.5
264.07861	0.6
267.13791	0.9
279.10080	1.3
280.11108	0.6
281.08188	0.6
283.09674	1.2
285.11551	0.7
285.14899	2.9
287.12747	1.0
293.28458	0.8
294.89944	0.5
296.10342	0.4
297.07742	0.6
299.12918	0.5
311.12799	2.7
311.16446	4.4
329.10251	1.1
329.13733	1.6
329.17508	6.4
329.21207	0.6
329.24408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
55.05515	9.6
55.46747	1.0
56.05036	1.3
57.03439	4.1
57.07071	5.1
60.04519	4.7
67.05147	1.0
67.05505	21.0
69.07065	9.5
69.89468	1.0
70.06597	1.8
71.03270	2.3
71.04996	2.5
71.08633	5.1
74.06082	4.0
79.05499	11.8
81.03403	1.4
81.07059	21.7
83.04971	6.2
83.08620	6.7
84.04502	4.8
85.06560	2.0
85.10226	1.0
87.04463	7.1
88.07623	1.5
88.76097	1.2
91.05488	6.1
93.07047	14.9
95.04968	3.5
95.08609	11.6
97.06538	4.5
97.10172	3.4
98.98472	100.0
99.08121	3.1
99.98890	1.2
100.11272	1.1
100.98874	2.2
101.06070	1.2
102.05541	1.8
105.07016	6.9
107.05016	1.1
107.08600	5.5
109.10155	7.2
111.08111	2.0
114.37198	1.2
117.07014	1.7
119.08585	5.3
120.06602	3.8
121.10168	6.7
123.11721	2.7
125.09644	3.8
127.03909	2.3
129.07019	1.2
130.04944	5.2
131.08575	1.1
133.10165	5.2
135.07996	1.0
135.11729	3.6
137.09622	2.7
139.11185	8.5
145.10159	1.7
147.11723	3.0
148.06058	3.5
149.13263	4.4
151.11227	1.7
155.10663	2.5
159.11716	1.9
161.13275	2.6
165.12747	1.9
171.11772	1.4
173.11755	6.1
174.99197	5.9
175.14882	1.6
175.99661	1.7
176.15096	1.1
176.98920	6.2
177.12770	2.2
179.14297	1.8
183.17484	1.2
188.11630	1.0
189.11229	1.4
195.13788	7.5
211.13249	2.1
221.15364	1.6
223.32933	1.0
231.21231	1.6
252.99742	1.1
259.20685	1.6
270.27994	1.4
274.83102	1.3
277.21631	16.8
295.22662	9.0
312.22751	1.3
312.28931	1.7
316.05734	1.2
325.14069	1.3
330.29996	14.3
330.33755	6.3
331.08282	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	331.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.2
55.05495	3.2
55.73206	0.9
57.07080	2.0
58.20357	0.9
59.04999	0.8
60.79348	0.9
61.08529	0.8
61.38477	0.8
67.05502	7.7
69.03421	3.6
69.07059	2.2
70.55721	3.2
71.04980	3.7
72.07443	1.0
79.05502	4.8
81.03407	3.7
81.03863	0.9
81.07059	34.0
85.02901	3.5
89.03914	7.1
91.05477	16.8
93.07032	5.3
94.04166	1.7
95.04978	5.2
95.08600	4.2
97.10157	3.5
98.98473	19.5
99.04458	1.6
103.05486	2.0
105.07021	3.1
107.04926	3.4
107.08601	1.8
109.02859	2.9
109.06545	6.9
109.10128	1.6
111.08105	1.4
117.02542	1.1
117.03383	21.9
117.06994	1.1
118.79508	0.8
119.04937	8.7
121.06510	2.9
122.03645	3.2
123.04420	1.5
123.08099	0.8
123.10836	1.5
123.11713	23.9
127.03895	2.8
128.06230	2.3
129.06181	1.1
129.07016	6.9
131.04933	3.7
133.02812	1.0
133.10095	2.9
134.03680	1.6
135.04395	1.7
135.08069	1.4
136.05209	2.2
137.05978	50.6
141.12733	1.2
145.02852	50.9
145.06477	2.3
147.04443	1.1
149.05983	13.7
151.03934	1.4
151.07542	41.5
151.11159	5.6
157.06494	4.5
161.05983	6.0
161.09625	1.5
162.06628	1.0
163.07556	9.8
165.07011	5.7
165.09154	2.2
166.07680	1.6
167.08549	8.4
169.06453	1.2
169.12254	13.6
174.06795	2.3
174.99226	0.9
175.07578	1.3
176.98878	1.3
177.05476	100.0
178.05780	1.5
178.07764	3.2
181.06477	2.2
182.07234	1.6
187.13298	2.4
189.09099	16.4
193.06480	3.7
193.10104	3.2
194.07370	1.1
195.08049	12.9
197.05916	2.3
199.07483	1.3
203.08487	1.7
206.07317	2.0
207.10234	2.5
210.06703	4.4
211.07553	1.8
212.08324	2.0
221.05978	3.2
221.09595	5.2
223.07608	4.7
224.08220	1.1
225.09084	5.9
227.10683	14.8
237.09116	1.0
238.06264	2.9
240.07759	1.2
241.08524	1.6
249.09119	2.1
252.07823	1.7
253.08615	5.0
253.12231	7.9
255.10175	14.7
262.95151	1.2
267.10257	1.8
269.08112	2.8
270.08713	1.4
272.10410	1.6
281.11630	2.7
285.08463	1.6
285.11194	8.6
287.12769	23.6
313.08063	2.1
313.13971	5.5
331.08282	1.4
331.11844	4.6
331.17770	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.05513	10.6
55.23945	1.5
57.07085	1.6
65.03949	2.2
65.04653	1.5
67.05505	18.9
69.03433	11.3
69.07064	4.0
69.33464	14.9
71.05000	9.5
79.05497	7.3
80.66936	1.6
81.03410	8.7
81.07057	100.0
83.99950	1.4
85.02909	15.1
85.06536	6.5
89.06025	1.9
91.05482	27.1
93.07050	9.3
94.04179	2.7
95.04984	10.4
95.08179	1.5
95.08622	15.6
97.02876	6.0
97.10167	9.0
98.98469	8.9
99.04462	3.4
103.05460	2.0
105.07015	6.2
107.04938	4.8
107.08591	3.9
109.02866	5.4
109.06528	6.4
109.10149	6.8
111.08069	2.6
115.05436	2.3
119.04943	18.8
121.06505	4.7
122.03651	6.6
123.04465	1.6
123.11710	66.2
123.12602	3.4
125.09637	2.5
127.03879	3.9
128.06212	2.2
129.07008	13.9
131.04953	4.5
131.08598	1.6
133.10153	5.4
135.08057	5.3
136.05252	3.1
137.05980	68.3
141.12743	3.2
145.06491	3.6
149.05992	10.1
151.03909	4.1
151.07547	75.6
151.11171	14.7
152.06108	2.8
157.06499	9.0
161.05965	10.8
161.09607	2.4
163.07570	19.1
165.06937	9.9
165.09154	2.2
166.07661	2.7
167.08531	12.6
169.12233	37.9
174.06779	3.3
175.07503	4.7
178.07758	4.9
181.06480	2.8
182.07243	4.1
184.08922	2.2
187.13289	7.8
189.09122	30.5
192.09331	2.2
193.06453	3.4
193.10168	4.1
194.07289	2.9
195.08022	20.9
197.05991	5.7
207.10242	2.6
209.05937	1.7
209.09634	2.1
210.06749	6.9
212.08293	3.0
221.05984	5.7
221.09518	8.5
223.07574	7.5
224.08321	2.8
225.08949	9.3
227.10652	22.0
238.06169	3.5
240.07910	2.6
241.12251	1.9
249.08943	4.3
253.08623	14.3
253.12161	10.6
255.10194	24.3
267.10156	6.8
269.08029	4.8
272.10455	2.3
281.11743	6.1
285.11258	17.5
285.90512	1.7
287.12784	40.3
310.09418	1.7
313.13956	14.9
331.11765	2.6
331.18076	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	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.05508	11.9
57.03434	3.6
65.03918	2.0
67.05508	21.9
69.03427	9.3
69.07051	4.2
69.17208	8.6
69.17632	6.6
71.04989	9.8
74.63106	1.3
75.64939	1.3
79.05486	8.2
81.03422	8.8
81.07058	100.0
83.08597	2.7
85.02901	13.3
85.06534	4.8
88.70851	1.4
89.06046	2.1
91.05486	15.7
93.07056	8.6
94.04212	1.4
95.04965	8.9
95.08611	17.9
95.92031	1.4
97.02908	4.4
97.10180	10.9
98.20796	2.6
98.98483	10.8
99.04446	3.6
99.08127	1.6
103.05508	2.6
105.07027	4.7
107.04987	2.9
107.08578	4.2
109.02893	5.0
109.06518	4.8
109.10172	3.4
110.08695	1.4
111.08087	2.2
119.04958	9.8
121.06527	2.6
121.10147	2.3
122.03638	6.0
123.08159	2.1
123.11710	63.6
126.29245	1.5
127.03930	5.6
128.06229	2.1
129.07001	9.5
131.04913	2.0
131.92061	1.3
133.06500	2.5
133.10130	4.2
135.08078	2.5
136.05196	2.7
137.05988	43.5
141.12720	2.6
149.06003	7.3
151.03937	1.8
151.07549	53.4
151.11151	15.4
157.06474	8.4
157.44682	1.3
161.05980	10.7
163.07520	10.9
165.06992	5.2
165.09085	1.9
166.07738	1.7
167.08572	7.2
169.12239	32.7
174.06796	3.3
175.07594	1.6
177.06946	1.7
177.09074	3.1
178.07764	2.5
181.06493	4.0
182.07263	4.1
187.13255	8.8
189.09119	16.9
192.09235	1.4
193.06523	5.0
193.10103	2.7
195.08054	13.5
196.08792	1.7
197.05879	1.6
197.09610	2.0
207.10162	5.0
209.05618	5.7
209.09619	2.0
210.06773	4.6
211.07549	3.0
212.08246	2.2
221.05974	5.0
221.09633	5.8
223.07489	7.0
224.08386	2.4
225.05334	2.3
225.09077	6.8
227.07127	1.7
227.10629	15.6
237.09195	1.6
238.06258	4.6
239.07085	1.8
240.07811	1.6
241.08374	1.7
249.09109	3.7
252.07799	2.1
253.08678	8.6
253.12244	9.7
255.06346	2.3
255.10184	13.5
267.10126	2.9
269.08105	3.4
270.08502	6.3
271.09686	2.3
281.11624	3.9
285.11261	10.7
287.12772	28.2
313.08398	2.1
313.14380	5.7
316.09003	11.1
331.11771	16.2
331.15018	1.4
331.17990	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	331.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03340	1.7
53.03931	2.7
55.01872	2.5
55.05517	10.6
57.03432	2.8
57.07059	2.6
58.80938	2.2
59.94090	1.9
60.27984	1.8
65.83973	1.9
67.05509	15.9
67.61868	1.7
69.03456	11.9
69.07068	5.5
69.50212	4.5
69.50623	7.3
71.04998	7.3
79.05520	10.2
81.03416	7.5
81.06596	3.8
81.07063	75.9
85.02901	7.4
85.06535	6.8
87.37270	1.7
88.12968	1.6
91.05490	32.1
93.07042	7.0
94.04176	3.1
95.04974	9.8
95.08618	13.2
97.02878	3.3
97.10168	7.7
98.98476	21.6
99.08097	2.6
103.05493	4.9
105.07008	5.7
107.04969	6.0
107.08628	3.7
109.02859	5.4
109.06503	5.8
109.10160	3.9
111.08103	4.6
119.04960	18.0
121.06517	8.0
122.03669	9.7
123.08103	3.9
123.11713	55.6
127.03918	4.5
128.06248	3.9
129.07022	18.1
131.04915	6.3
133.10104	3.4
135.08034	6.0
136.05199	3.3
137.05994	79.9
141.12755	3.2
145.06479	3.8
146.03569	2.1
149.05986	12.7
151.03981	4.1
151.07559	100.0
151.11186	11.8
152.06203	3.6
157.06493	11.8
161.05992	14.4
161.09641	3.6
163.03952	3.0
163.07558	21.4
165.07014	11.2
165.09099	5.0
166.07803	3.1
167.08556	17.7
169.12251	25.0
174.06760	5.7
175.07545	4.0
176.98825	2.1
177.05463	2.3
177.09146	2.7
178.07814	5.5
181.06491	4.7
182.07272	4.6
187.13283	6.4
189.09126	31.3
192.09438	3.0
193.06467	8.3
193.10141	9.0
194.07240	3.4
195.08084	25.4
195.39775	2.0
196.08690	2.1
197.05980	5.2
207.10155	5.7
209.11600	2.3
210.06773	8.7
211.07489	4.7
212.08321	4.7
221.06003	8.9
221.09555	9.4
223.07495	10.9
224.08321	4.1
225.05525	2.2
225.09163	10.1
227.07127	2.9
227.10651	29.0
237.09164	2.4
238.06268	4.7
238.10051	2.4
240.07841	3.8
249.09171	6.7
253.08578	12.9
253.12282	14.5
255.10159	29.6
267.10193	6.7
269.08005	3.5
269.11655	2.3
270.08722	3.4
281.11758	4.3
285.11237	18.5
287.12799	58.9
295.11740	2.6
298.11993	3.2
299.12720	2.1
313.08008	6.4
313.14145	16.1
331.08517	5.1
331.11694	6.1
331.15274	5.6
331.17859	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	331.1752
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
50.41513	0.8
53.03949	1.4
55.01867	1.1
55.05514	11.3
57.03417	2.4
57.07063	3.7
63.40706	0.8
64.72324	0.9
67.05185	1.0
67.05511	16.0
69.03436	11.8
69.07087	4.7
71.05000	7.2
71.08633	1.0
79.05489	6.5
81.03424	7.6
81.07062	86.3
83.04966	1.3
83.08636	2.0
85.02912	11.1
85.06544	6.4
89.06036	1.6
91.05489	3.8
93.07051	7.9
95.04577	0.6
95.04973	6.5
95.08069	1.3
95.08614	18.0
96.76615	0.7
97.02908	3.8
97.06538	2.3
97.10172	9.5
98.06904	0.9
98.98473	100.0
99.04453	2.2
99.08086	1.7
100.98871	2.6
105.07034	5.0
107.08606	5.4
109.02871	4.1
109.06518	4.5
109.10152	2.3
111.08065	3.0
113.06008	1.3
116.99512	2.0
119.08585	1.8
121.10152	1.6
121.43255	0.7
123.04446	1.5
123.08062	1.3
123.11714	63.0
125.09694	0.8
127.03925	9.7
129.06992	1.3
131.08592	1.5
133.06467	0.8
133.10130	4.5
135.08067	1.0
135.11688	1.1
137.06017	4.3
140.01051	1.3
141.12727	3.3
151.07541	2.2
151.11188	13.2
157.06514	1.0
161.09673	0.9
163.07556	1.0
165.05611	1.2
165.07028	1.2
169.12247	23.8
174.99242	5.4
175.07591	1.0
176.98938	10.1
177.09151	1.0
181.06506	1.7
187.07559	1.4
187.13303	16.6
210.06761	1.1
227.10553	1.3
245.04500	1.3
252.99867	1.5
273.04019	2.1
285.18439	2.4
287.12875	1.4
289.13889	0.8
301.03439	2.8
313.16537	4.3
316.05728	3.7
331.08102	9.3
331.11728	6.5
331.17950	9.5
340.96002	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1752
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
50.36742	0.5
53.03942	2.1
55.05514	15.2
57.03428	2.0
57.07072	4.0
59.05005	1.6
61.02921	1.1
65.03932	1.1
67.05508	20.1
69.03437	9.7
69.07066	5.3
69.46459	3.5
70.25203	0.5
71.04996	7.9
79.05499	6.7
81.03425	7.4
81.07062	100.0
82.06593	1.7
83.04981	1.1
83.08626	4.3
85.02436	1.0
85.02913	12.0
85.06553	5.3
87.39597	0.5
89.06042	1.8
91.05480	2.5
93.07058	8.4
95.04980	4.7
95.08610	18.4
97.02899	2.8
97.06508	1.0
97.10182	8.9
98.98474	6.7
99.04500	2.6
99.08138	3.1
100.07601	0.7
100.11263	9.5
105.07018	2.8
107.05009	0.6
107.08617	4.9
109.02874	3.6
109.06502	3.6
109.10172	2.3
110.06074	0.8
111.04449	1.3
111.08121	2.6
113.06029	1.2
119.05015	0.7
121.10171	1.7
123.11716	67.2
124.12049	1.1
127.03944	4.5
128.07085	0.8
131.08554	0.5
133.10143	4.4
137.06009	2.1
141.11586	0.6
141.12770	3.5
151.07605	2.0
151.11183	13.7
161.06125	0.6
169.12254	29.3
177.89857	0.5
182.15390	2.8
187.13307	9.4
209.16539	2.2
210.14920	3.0
225.08926	0.6
226.19206	1.9
236.96724	0.6
281.70233	0.8
287.12686	0.9
313.08298	0.7
313.16602	4.9
326.28027	1.6
331.11667	1.9
331.17560	10.9
331.25693	0.7
336.22955	1.0
343.97208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1752
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
53.03942	2.3
55.01870	1.1
55.05515	12.1
55.73838	0.8
57.03431	2.7
57.07067	3.5
59.05004	1.8
65.03936	1.8
67.05512	19.0
67.43441	0.7
69.03433	10.3
69.07077	6.8
69.28816	7.1
70.89886	0.8
71.05000	8.9
71.08608	0.9
79.05506	6.3
81.03432	8.8
81.07065	100.0
82.07423	0.9
83.08626	2.8
85.02918	11.6
85.06553	7.6
86.09709	1.0
89.06019	2.1
91.05488	3.6
93.07051	10.6
95.04983	5.8
95.08620	18.4
97.02898	3.5
97.06576	1.5
97.10178	9.7
98.98474	30.7
99.04437	1.9
99.08080	1.6
100.98896	1.0
105.07026	3.7
107.08600	5.4
109.02868	4.9
109.06532	3.6
109.10155	2.7
111.08062	2.5
113.06059	1.3
116.99473	1.0
119.08627	1.2
121.10131	2.0
123.11716	71.0
127.03934	8.3
131.08548	0.8
133.10173	5.4
137.05989	3.3
141.12784	3.4
150.69862	0.8
151.11192	14.8
151.23341	0.8
153.06877	0.9
157.06477	0.9
165.06932	1.6
167.73344	0.8
169.12253	33.0
173.56946	0.8
176.98952	2.8
187.13319	9.7
190.04994	5.3
206.13303	0.8
207.15225	0.8
218.04605	1.0
219.46680	0.9
249.46658	0.8
252.99808	1.1
285.12350	2.9
285.18674	0.8
313.16672	3.5
316.05829	2.2
331.08139	4.8
331.11862	10.9
331.17416	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	331.175
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
53.03941	2.4
54.61522	0.9
55.01875	1.6
55.05279	1.1
55.05516	13.7
57.03423	2.3
57.07071	4.3
59.04990	1.6
65.03928	1.4
67.05508	19.7
69.03433	11.8
69.07071	6.3
71.05001	8.4
71.44163	0.9
71.44513	1.1
73.02898	0.9
79.05141	0.8
79.05505	7.7
81.03428	9.0
81.07056	100.0
82.18198	0.9
83.08603	3.0
84.84154	0.9
85.02904	10.8
85.06559	6.1
89.06024	2.4
91.05486	16.7
93.07043	7.7
94.04180	1.7
95.04969	7.0
95.08607	20.7
96.12611	1.1
97.02898	6.4
97.03419	1.1
97.06546	0.9
97.10168	10.9
98.98474	11.7
99.04461	1.7
99.08091	1.3
99.88200	1.0
103.05476	2.0
105.07024	5.4
107.04940	2.8
107.08559	4.2
109.02879	7.1
109.06541	5.0
109.10147	4.9
111.08072	3.5
113.05945	1.1
119.04956	7.8
121.06512	2.4
121.10191	2.2
122.03638	2.8
123.08051	1.3
123.11707	70.6
125.09618	1.6
127.03915	6.3
129.07039	5.4
131.04880	2.0
133.06470	1.5
133.10124	3.4
135.08076	2.1
136.05211	1.7
137.05984	33.7
141.12695	2.7
145.04918	1.7
145.06522	1.1
146.03668	1.1
149.05971	5.1
151.03912	2.5
151.07549	39.1
151.11183	15.6
152.06165	2.2
157.06447	4.3
159.04486	1.0
161.06001	4.5
161.09557	1.0
163.07541	10.0
165.07008	4.9
165.09106	2.0
166.07716	1.1
167.07220	1.2
167.08539	6.0
169.06400	1.9
169.12242	34.3
169.13684	1.8
174.06761	2.8
175.07590	1.2
176.98892	1.5
177.07002	1.0
177.09111	1.3
178.07805	1.8
181.06410	1.6
182.07214	1.2
187.13316	8.8
189.09106	13.3
193.06483	3.6
193.10144	3.8
195.08063	11.0
196.08829	1.1
197.06015	1.8
203.08611	1.1
207.06532	1.2
207.10155	2.4
209.09624	2.2
210.06802	4.4
211.07466	2.5
212.08310	1.7
221.05949	4.7
221.09547	4.8
223.07523	4.8
224.08348	1.7
225.09088	4.3
227.07074	1.2
227.10657	13.1
237.09088	1.3
238.06281	2.4
240.07797	1.5
249.09137	3.4
253.08621	5.3
253.12248	5.6
255.10184	15.2
267.10165	2.1
269.08078	2.8
269.11566	1.0
270.08789	1.1
271.81610	1.2
272.10300	1.7
279.21225	0.9
281.11774	2.5
285.11249	6.7
287.12796	19.8
313.14148	4.2
313.16779	3.3
331.08069	1.8
331.11749	2.1
331.17792	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	331.1752
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
50.20522	0.4
50.43256	0.3
53.03944	2.0
55.05514	12.6
57.03426	2.3
57.07076	2.7
59.04997	1.5
61.02933	0.8
65.03943	0.8
67.05508	20.0
69.03431	11.5
69.07071	5.4
70.49932	0.4
70.50272	1.1
71.04996	9.7
71.08617	0.4
79.05499	7.1
81.03428	7.8
81.03878	0.8
81.07058	100.0
83.08633	2.3
85.02907	11.7
85.06545	6.5
89.06037	2.5
91.05491	2.6
93.07046	10.6
95.04969	6.1
95.08611	16.7
97.02888	3.8
97.06543	1.0
97.10166	10.8
98.98466	8.9
99.04443	2.6
99.08069	2.1
105.07022	3.9
107.08589	4.4
109.02873	3.7
109.06512	3.2
109.10153	2.9
111.08063	3.4
113.05982	1.0
117.03339	0.7
119.04926	0.5
121.10133	1.7
123.04491	0.5
123.08084	1.7
123.11708	69.5
127.03931	4.5
129.07028	0.6
131.08534	0.5
133.10144	4.1
137.05957	2.7
141.12729	2.8
145.02853	1.6
145.04910	0.7
151.07547	1.7
151.11182	15.4
151.12379	0.9
163.07639	0.6
163.22510	0.4
169.12239	34.8
170.12602	0.6
176.98926	0.8
177.05453	2.1
187.13295	10.7
189.09058	0.6
211.07518	0.7
214.82434	0.5
227.06831	0.4
227.10646	0.6
253.08765	0.5
285.08673	0.5
287.12762	1.3
295.15503	0.8
313.08060	1.1
313.16583	3.7
331.08463	1.3
331.11719	1.6
331.17514	12.0
339.77515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1752
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
53.03941	2.1
55.05268	1.2
55.05515	11.9
57.03440	1.8
57.07082	3.5
59.04998	2.1
61.02930	1.4
65.03931	0.8
67.05509	17.4
69.03432	9.2
69.07069	3.1
70.53920	1.4
70.54250	0.9
71.05003	9.4
71.08614	0.7
72.43703	0.7
76.72845	0.7
77.14140	0.7
79.05496	6.9
81.03426	9.0
81.07060	100.0
82.07388	0.7
83.08617	1.7
85.02906	10.4
85.06555	6.0
89.06039	1.8
91.05486	2.4
93.07056	8.6
95.04986	5.3
95.07997	0.8
95.08611	15.2
95.09187	1.3
97.02884	3.7
97.06547	0.7
97.10177	10.2
98.98473	2.4
99.04443	1.4
99.08114	1.8
105.07037	2.9
107.08616	4.8
109.02887	4.9
109.06501	3.4
109.10177	2.4
111.08084	3.5
111.64304	0.7
121.10168	1.1
123.08051	1.2
123.11713	62.5
127.03905	3.6
127.07543	0.7
133.10129	4.7
137.06018	1.0
141.12733	2.9
151.07504	1.6
151.11179	14.9
152.77444	0.6
169.12253	31.4
187.13310	8.8
190.54623	0.7
274.39554	0.7
285.08789	1.1
287.12842	0.8
313.16400	4.0
331.11902	1.6
331.13409	1.0
331.17471	11.3
334.55637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.175
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
53.03944	2.6
55.05512	12.6
55.86568	0.4
56.54160	0.5
57.03432	1.7
57.07079	3.8
58.29152	0.5
59.05006	1.3
60.58226	0.4
61.02919	1.0
65.03940	1.2
67.05507	17.5
69.03430	10.5
69.03739	0.3
69.07064	5.5
69.80042	1.7
69.80444	0.9
71.04993	9.9
74.99784	0.5
79.05489	7.0
81.03422	8.5
81.07056	100.0
83.08622	2.1
85.02905	11.9
85.06547	6.2
85.12331	0.5
89.06046	2.3
89.57105	0.4
91.05470	1.6
93.07045	9.3
95.04973	4.7
95.08611	17.9
97.02900	3.2
97.06545	1.2
97.10168	10.3
98.98471	5.1
99.04456	2.4
99.08086	2.1
105.07008	3.1
107.08601	4.5
109.02875	4.9
109.06517	3.4
109.10173	2.6
111.08073	3.8
113.05993	1.1
121.10158	1.9
123.04465	0.7
123.08102	1.5
123.11706	69.0
124.11985	0.7
125.09646	0.7
127.03928	4.5
133.10132	4.5
137.65311	0.5
141.12740	3.4
151.11174	15.0
169.12244	33.7
187.13300	9.1
313.16437	5.0
331.08203	0.7
331.11707	0.7
331.17538	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	331.1753
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
50.15958	0.5
53.03949	2.5
55.05512	11.7
57.03436	2.5
57.07081	3.3
59.05005	1.0
61.02925	1.1
63.73822	0.6
65.03943	1.0
67.05510	17.9
69.03438	9.5
69.07072	4.7
70.01363	3.0
71.04992	9.5
79.05498	5.1
81.03429	6.8
81.07060	100.0
81.55261	0.7
83.08627	1.8
85.02906	11.8
85.06546	6.1
87.07243	0.7
89.06043	2.4
91.05494	1.5
93.07043	8.5
95.04975	5.2
95.08609	20.1
97.02889	3.5
97.06531	1.3
97.10177	10.8
98.98500	1.5
99.04454	2.5
99.08089	1.2
105.07048	2.2
107.08612	3.8
109.02882	4.4
109.06531	2.9
109.10190	2.5
111.08089	3.1
113.06003	1.7
119.98270	0.7
121.10175	1.4
123.08080	1.6
123.11712	69.8
127.03928	4.8
133.10121	4.3
141.12778	2.6
151.11186	15.1
169.12245	32.9
187.13310	8.4
313.16666	3.3
331.17477	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	331.1752
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
53.03953	1.6
55.05514	11.9
57.03443	2.0
57.07077	3.1
59.05002	1.3
61.02930	0.5
67.05513	18.7
69.03434	10.0
69.07063	4.2
70.80507	1.6
71.05000	10.5
79.05505	6.1
81.03421	7.8
81.07063	100.0
82.07403	0.9
83.08635	1.8
85.02911	10.3
85.06549	5.4
89.06039	2.7
91.05492	0.9
93.07054	9.4
95.04983	5.1
95.08612	19.0
97.02910	3.7
97.10171	10.0
98.98471	1.9
99.04460	2.2
99.08098	1.7
105.07043	2.7
107.08597	4.5
109.02893	4.3
109.06521	3.1
109.10149	1.7
111.08083	2.4
113.05987	1.1
121.10147	1.2
123.11716	69.7
124.12034	0.7
127.03899	4.7
133.10153	4.5
141.12744	3.9
145.05051	0.7
151.11197	15.1
169.12247	35.5
187.13315	9.1
213.71431	0.5
221.74898	0.5
313.16449	4.4
331.17548	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	331.1751
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
53.03944	2.3
54.71802	0.7
55.05514	12.3
57.03437	2.0
57.07081	2.4
59.04995	1.8
59.37459	0.7
65.03938	1.2
67.05508	19.8
69.03436	10.6
69.07069	4.4
69.28641	0.8
71.05003	9.7
71.41552	1.7
74.02068	0.9
79.05491	5.9
81.03426	7.9
81.07060	100.0
83.08628	2.2
85.02909	9.9
85.06550	5.7
89.06054	2.0
89.77548	0.8
91.05478	3.6
93.07051	8.5
95.04970	5.2
95.08611	17.6
97.02915	4.4
97.10190	10.0
98.98466	2.5
99.04469	2.2
99.08093	1.5
103.05502	0.9
105.07045	2.4
107.08597	3.7
109.02899	4.2
109.06523	3.8
109.10159	2.3
111.08083	3.4
113.06044	1.0
121.10120	1.5
122.17871	0.9
123.11713	67.8
127.03909	4.8
133.10168	3.9
137.05991	6.0
141.12741	3.4
149.05998	1.1
151.07552	7.8
151.11203	13.5
163.07527	1.3
165.06996	0.8
167.08603	1.1
169.12245	36.0
187.13330	7.8
189.09143	2.3
193.06656	1.1
195.08124	1.5
223.07547	1.2
227.10770	1.7
253.08595	1.2
255.10173	2.7
285.11319	2.0
287.12817	3.0
306.90784	0.8
313.16757	5.1
331.17621	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	331.1753
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
51.92880	0.5
53.03942	2.1
55.05510	11.0
57.03444	3.0
57.07076	4.3
59.04998	2.5
61.02916	0.8
65.03933	1.5
67.05511	18.4
69.03432	10.4
69.07075	6.1
70.76551	1.6
71.01340	0.8
71.04994	8.9
79.05507	7.4
80.19384	0.6
81.03432	7.6
81.07059	100.0
83.08625	2.1
85.02389	0.6
85.02908	11.4
85.06549	6.6
89.06039	1.7
91.05486	3.9
93.07047	10.4
95.04980	5.6
95.08614	19.2
97.02892	3.9
97.06525	1.8
97.10177	10.0
98.98474	27.5
99.04464	2.2
99.08102	1.9
100.98910	0.7
105.07032	5.5
107.08614	5.1
107.67703	0.6
109.02924	3.7
109.03568	0.8
109.04415	0.7
109.06519	3.1
109.10165	3.2
111.08121	3.6
113.06007	1.0
119.08598	1.2
121.06557	0.7
121.10147	2.7
123.04491	0.6
123.08080	2.0
123.11715	68.2
124.12106	0.6
125.09574	0.7
127.03915	5.7
133.10150	4.7
135.11700	0.9
137.05034	0.6
137.06020	1.8
139.11206	0.7
141.12778	3.8
145.06522	0.6
147.08055	0.7
147.11845	0.6
149.99753	0.6
151.07559	1.3
151.11189	13.7
157.24606	0.5
161.09622	0.6
165.07030	0.9
168.05766	0.9
169.12247	31.5
171.11623	0.8
174.99263	1.8
176.98915	2.8
181.06601	1.4
187.13307	10.6
199.07663	1.0
209.05829	1.1
211.07509	1.4
252.99678	0.8
271.09750	1.1
273.07867	0.7
277.21719	1.9
295.22882	0.9
313.16443	3.4
316.05786	1.3
316.09164	2.2
331.08221	2.0
331.11816	11.0
331.17624	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	331.1751
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
53.03942	2.0
55.05512	13.1
57.03425	1.8
57.07077	4.6
59.04989	2.3
61.02921	1.1
67.05505	21.8
67.29082	0.8
69.03429	10.8
69.07068	4.7
70.90965	1.4
70.91286	1.1
71.04995	8.2
79.05499	5.1
80.56569	0.8
80.64852	0.9
81.03423	5.8
81.07056	100.0
83.08616	3.0
85.02905	10.7
85.06548	6.8
89.06030	1.9
91.05490	1.8
93.07031	8.9
95.04973	5.5
95.08611	17.7
97.02895	5.1
97.06523	1.9
97.10174	9.1
98.98473	29.4
99.04463	2.5
99.08089	2.2
101.46152	0.9
105.06995	2.2
107.08593	4.3
109.02888	5.3
109.06528	3.4
109.10163	3.3
111.08078	2.9
113.06032	1.3
116.33308	0.8
121.10126	2.0
123.08074	0.9
123.11707	71.1
127.03909	5.8
128.11710	0.8
129.84822	1.0
133.10156	4.5
134.92848	0.9
137.06027	0.9
141.12766	3.9
144.39893	1.0
151.11182	13.1
169.12245	33.5
174.99258	1.9
176.98929	2.9
185.91298	1.0
187.13295	10.6
200.89732	0.9
276.18570	1.0
313.16559	4.0
316.05704	1.7
331.08078	1.5
331.17523	12.9
331.21906	1.2
333.04291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01875	1.0
55.05321	0.7
55.05518	8.5
55.33467	0.8
56.44750	0.7
57.03426	1.8
57.07075	3.8
58.49311	0.8
59.04990	1.7
61.02911	0.7
65.03893	0.7
67.05511	18.5
68.53318	0.7
69.03432	8.7
69.07076	5.0
69.42554	5.4
71.04999	7.8
79.05504	7.4
81.03423	8.3
81.07063	78.4
83.04998	1.2
83.08630	3.7
85.02911	9.0
85.06566	5.7
89.06027	1.7
91.05490	3.4
93.07052	9.2
95.04987	5.0
95.08612	18.6
97.02915	3.7
97.06539	2.1
97.10175	7.4
98.98475	100.0
99.04470	2.4
99.08099	1.2
100.98890	2.1
105.07066	3.5
107.08607	5.5
108.60638	0.8
109.02887	11.8
109.06525	5.2
109.10169	3.0
111.04455	1.3
111.08097	2.8
113.06031	1.5
116.99544	0.9
117.07032	1.3
119.08600	3.1
121.06521	1.0
121.10157	2.8
123.04430	2.6
123.08073	1.4
123.11720	50.7
127.03915	14.0
129.07001	0.8
131.08601	1.5
133.10165	5.0
137.05995	15.5
141.12759	2.9
145.10168	1.2
147.04454	2.1
147.08066	1.0
149.06015	2.4
149.13274	1.6
151.07541	1.1
151.11197	13.7
157.06508	0.8
157.10197	0.8
159.11710	2.0
163.07555	2.8
165.05534	0.9
168.13667	0.7
169.12257	22.7
169.13690	1.4
174.99234	4.2
175.07558	1.8
176.98915	8.1
177.12767	1.7
177.99292	0.7
187.13307	12.6
189.09149	0.9
195.13823	0.7
225.08913	0.8
245.04578	1.4
252.99756	1.0
254.99535	1.3
270.18964	1.0
270.49155	0.8
273.04056	2.3
287.12888	0.8
298.04840	0.8
301.03488	3.4
313.16467	3.6
316.05811	5.4
331.08212	14.1
331.11722	2.5
331.17630	9.9
331.26065	0.9
347.62463	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.1
57.03447	5.9
57.07078	80.8
59.03891	1.1
63.74163	1.1
67.05508	23.7
67.22298	1.3
69.03391	1.3
69.07071	16.2
70.06590	4.1
71.04986	1.2
71.08636	64.9
71.53014	1.5
75.04474	4.4
79.05478	2.1
80.20528	1.1
81.07058	35.7
83.08154	1.6
83.08620	21.1
85.06505	1.9
85.10185	31.3
88.07619	6.6
89.06008	1.7
89.07931	1.9
91.05488	2.7
93.07055	3.8
95.08612	48.3
97.10172	12.1
98.98472	100.0
99.08125	1.3
99.11703	2.1
100.98873	2.8
102.09172	1.6
103.07563	1.5
105.07043	1.9
106.08663	2.9
107.08567	2.6
109.10168	23.6
111.11717	4.4
113.13248	1.7
116.99525	1.5
119.08575	2.5
121.10142	2.3
123.11715	10.8
125.13284	2.4
127.03941	9.7
133.10115	1.3
137.13283	3.5
151.14838	1.8
161.13284	1.2
165.16234	1.3
165.89502	1.1
174.99207	4.4
175.14806	1.4
176.98920	10.5
209.15106	1.2
221.22659	2.5
239.23709	23.3
257.24878	7.3
273.03979	1.5
298.27432	1.2
301.03378	2.9
313.27405	65.1
313.33011	4.3
316.05746	5.2
331.08249	11.7
331.26184	5.2
331.33990	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05510	12.5
57.03443	7.2
57.07080	100.0
67.05183	1.5
67.05510	22.2
69.07069	17.0
70.06586	2.8
71.08639	66.9
73.95214	1.2
75.04482	2.8
79.05460	1.8
81.07060	35.8
83.08158	1.9
83.08627	27.6
83.36351	1.0
85.10190	41.0
88.07609	4.9
89.06038	2.2
89.07964	1.2
91.64497	1.0
93.07046	2.1
95.08614	54.5
97.10176	15.6
98.98472	47.0
99.08102	1.2
99.11730	2.2
100.98911	2.0
102.09207	1.8
106.08667	3.4
109.09474	1.9
109.10165	24.4
111.11709	3.4
123.11696	11.5
125.13246	3.4
127.03934	5.0
137.13266	6.5
139.14833	1.8
145.67311	1.2
151.14833	2.4
163.34422	1.1
165.16411	1.3
174.99176	2.7
176.98915	3.9
183.88516	1.1
211.88916	1.0
214.95537	1.2
221.22697	3.2
239.23692	29.1
252.99768	1.3
257.24710	7.3
272.54398	1.3
298.27411	1.5
301.03458	1.4
313.27383	74.0
316.05804	3.8
331.08173	8.6
331.34027	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	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.5
57.03427	2.6
57.07080	47.1
67.05511	12.4
69.07076	9.4
69.31076	3.5
69.31502	4.7
71.08636	32.6
75.04494	2.7
81.07062	18.2
83.08629	13.1
85.06544	1.3
85.10188	20.5
88.07636	1.2
93.07085	1.6
95.08614	26.1
97.10178	8.1
97.71326	1.0
98.98475	100.0
100.98854	2.0
105.07064	1.9
107.08601	1.5
109.10172	13.4
111.11737	2.2
116.99522	2.0
123.11741	7.0
125.13242	1.3
127.03937	13.2
137.06003	1.2
137.13258	3.6
140.01088	1.7
151.14819	1.5
174.99265	4.3
176.98911	7.4
201.05693	0.9
202.33563	1.0
221.22673	2.3
239.23706	13.3
245.04301	1.2
252.99829	1.7
254.99478	1.2
257.24805	3.7
273.03876	1.9
284.03458	1.1
298.27335	1.1
301.03320	3.0
313.27393	34.9
316.05807	6.8
331.08090	16.6
331.11746	1.6
331.26169	3.1
331.30652	1.6
331.34045	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	332.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98864	2.1
56.96302	3.4
56.96570	53.2
62.24427	2.1
69.99231	6.0
69.99634	4.6
72.06602	2.2
75.95294	2.2
84.96038	5.4
93.79629	2.2
98.97588	53.3
110.97563	3.3
112.99154	5.2
116.98632	14.1
119.02790	2.4
124.99122	46.2
127.00646	4.1
131.00211	2.7
139.00693	3.5
141.02258	4.1
143.00168	44.4
152.98616	19.8
157.01784	2.7
158.99667	3.4
161.01215	14.0
167.00220	8.0
169.01659	5.2
170.99667	40.4
172.94434	4.0
174.97636	2.6
185.01224	29.5
186.99146	3.4
187.02701	4.5
189.00668	18.3
194.99716	6.7
203.02296	12.6
205.00282	4.2
213.00732	19.6
231.01753	24.9
237.02774	4.5
249.00847	2.8
249.02855	26.8
263.04297	3.5
267.03946	13.9
273.02817	4.9
285.04959	4.4
290.02744	3.1
291.00592	5.2
291.03882	100.0
309.04950	97.3
309.08563	4.9
327.05756	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	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.56411	0.4
53.03945	0.7
55.01872	0.5
56.96572	0.5
57.03431	1.7
61.02922	1.6
65.03935	1.2
67.05505	2.6
69.03428	6.1
69.95135	1.0
69.95523	1.0
71.04990	0.5
72.59526	0.5
73.02921	2.0
79.05482	1.7
79.72427	0.4
81.03425	1.4
81.07043	0.9
82.06042	0.4
85.02904	6.6
87.04461	1.4
91.03953	0.6
92.04990	0.4
93.05796	0.5
97.02888	3.2
98.21481	0.6
98.97590	0.8
101.97424	0.4
106.06549	4.6
106.33737	0.5
108.08119	100.0
109.02876	1.2
123.06810	4.3
124.07591	16.0
125.47152	0.4
127.03919	1.4
134.06020	12.3
134.07011	0.8
136.07585	12.2
145.04988	0.6
152.07066	71.4
154.08656	1.5
170.08127	9.5
184.63589	0.4
193.71884	0.5
194.67542	0.6
251.08344	0.5
313.76022	0.5
314.12326	35.7
314.70706	0.5
332.13400	64.9
333.13760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41882	0.6
53.03950	1.2
56.96557	1.9
57.03431	1.6
57.07073	0.9
59.68286	0.6
61.02923	2.9
61.62015	0.6
63.63239	0.7
65.03951	1.3
67.05493	3.0
69.03437	6.4
71.04983	0.9
71.20641	1.0
71.20992	1.5
73.02921	2.6
79.05476	2.0
79.63769	0.6
81.03419	2.3
81.05840	0.7
85.02433	1.2
85.02908	12.6
87.04477	2.4
91.03970	1.5
91.05518	0.7
96.08149	1.0
97.02917	5.9
98.97571	4.2
99.04481	1.1
103.62942	0.7
104.10756	4.8
106.06552	4.7
107.08546	0.9
108.08123	100.0
109.02878	1.7
110.97556	0.8
116.98629	0.8
123.06799	3.7
124.07600	15.1
127.03921	2.9
133.24857	0.6
134.06018	15.0
136.07587	15.9
137.05933	0.9
143.00119	1.2
145.04996	1.2
152.07072	83.4
153.07460	0.8
154.08669	1.8
158.99701	1.6
161.04512	1.4
161.05684	1.2
164.06863	0.6
170.08122	20.2
170.99701	1.0
203.03969	0.9
203.55562	0.7
219.01794	1.2
233.06859	0.8
242.07567	1.9
251.08174	0.9
291.03815	1.2
298.79727	0.8
309.04941	1.1
314.12338	41.3
321.10373	1.4
324.14099	0.7
332.13486	70.6
332.16495	2.5
333.14059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1332
Annotation	Catechin 5,7,4'-trimethyl ether
Peak:m/z	Relative Intensity
53.03955	0.7
54.90586	0.5
55.05523	1.6
57.07084	1.3
66.04728	0.6
67.05518	0.8
69.03434	1.1
69.07076	8.1
69.29198	1.7
69.29624	2.4
71.04970	0.7
78.04711	3.3
79.05502	2.4
81.03419	3.1
81.07067	1.7
82.07405	0.6
83.04978	0.5
83.08614	2.6
85.02898	0.9
87.94718	0.5
88.04236	0.5
91.05485	2.5
93.07050	1.1
94.04180	2.7
95.04985	0.8
95.08618	1.7
97.02895	1.4
98.98483	1.7
99.04487	0.5
103.05465	0.6
105.66209	0.5
106.04191	1.1
107.04987	1.6
107.08645	0.9
109.02903	1.4
109.10191	0.5
111.04436	0.7
117.54397	0.5
119.04973	1.0
122.03660	8.6
123.04446	7.2
124.05220	1.9
125.13270	1.0
127.03890	0.8
131.04950	1.3
134.03683	0.9
135.04445	0.5
135.11723	1.0
137.05984	94.8
147.04419	1.1
149.06017	0.7
151.03920	2.0
151.07608	1.0
152.04691	1.8
153.07016	1.0
153.12753	3.0
161.05920	0.6
165.05573	0.5
165.06992	1.7
167.07045	100.0
171.04431	0.8
171.13857	1.2
177.05414	0.6
182.38539	0.5
183.08070	1.6
189.05481	1.1
207.04576	0.6
207.06456	1.0
211.07538	1.9
227.06970	0.9
239.07101	0.7
243.10191	1.1
255.06709	0.7
255.10077	0.7
271.09653	1.4
283.09692	2.6
288.09943	8.5
303.12274	2.7
315.12338	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	333.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01883	1.2
55.05516	18.4
56.13307	0.9
57.03455	1.7
57.07079	15.0
59.04987	1.3
62.11118	1.1
67.05511	6.4
68.98454	0.9
69.03426	9.1
69.07072	100.0
70.08969	3.4
71.05001	3.0
79.05492	4.7
81.03426	23.7
81.07063	14.3
83.04973	2.4
83.08627	37.1
83.09129	2.1
85.02911	11.8
85.06548	8.3
91.05492	2.4
93.07053	9.8
95.04979	2.0
95.08615	18.0
95.54190	1.0
97.02902	5.7
97.06535	11.1
97.10169	3.2
98.98481	7.8
99.04451	3.7
100.11266	1.9
105.07024	1.5
107.08588	7.2
108.59082	1.2
109.02892	13.9
109.10171	7.5
111.04408	1.2
111.08076	2.6
111.11707	3.0
119.04903	1.8
119.43253	1.2
121.06540	1.1
122.03682	1.3
123.04404	1.5
123.08065	6.1
123.11703	2.3
125.13283	9.0
127.03926	9.5
131.04944	1.5
131.08615	1.6
133.10146	1.3
135.11705	10.6
137.06003	16.2
143.14314	3.9
145.04965	2.0
147.04350	1.5
151.07590	1.7
151.11137	1.1
152.07996	1.5
153.12762	46.6
165.04523	1.1
165.09218	1.1
167.07068	13.9
169.06366	1.1
171.13814	15.4
179.07008	1.1
182.15311	1.3
189.12833	1.5
251.16585	1.6
255.12950	1.1
261.20807	1.4
287.12851	1.1
288.09915	3.5
289.13318	1.8
297.17026	3.0
303.12189	1.7
308.98984	1.2
315.18097	11.5
333.19516	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	333.1909
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.03944	3.4
55.01883	1.2
55.05516	18.4
56.13307	0.9
57.03455	1.7
57.07079	15.0
59.04987	1.3
62.11118	1.1
67.05511	6.4
68.98454	0.9
69.03426	9.1
69.07072	100.0
70.08969	3.4
71.05001	3.0
79.05492	4.7
81.03426	23.7
81.07063	14.3
83.04973	2.4
83.08627	37.1
83.09129	2.1
85.02911	11.8
85.06548	8.3
91.05492	2.4
93.07053	9.8
95.04979	2.0
95.08615	18.0
95.54190	1.0
97.02902	5.7
97.06535	11.1
97.10169	3.2
98.98481	7.8
99.04451	3.7
100.11266	1.9
105.07024	1.5
107.08588	7.2
108.59082	1.2
109.02892	13.9
109.10171	7.5
111.04408	1.2
111.08076	2.6
111.11707	3.0
119.04903	1.8
119.43253	1.2
121.06540	1.1
122.03682	1.3
123.04404	1.5
123.08065	6.1
123.11703	2.3
125.13283	9.0
127.03926	9.5
131.04944	1.5
131.08615	1.6
133.10146	1.3
135.11705	10.6
137.06003	16.2
143.14314	3.9
145.04965	2.0
147.04350	1.5
151.07590	1.7
151.11137	1.1
152.07996	1.5
153.12762	46.6
165.04523	1.1
165.09218	1.1
167.07068	13.9
169.06366	1.1
171.13814	15.4
179.07008	1.1
182.15311	1.3
189.12833	1.5
251.16585	1.6
255.12950	1.1
261.20807	1.4
287.12851	1.1
288.09915	3.5
289.13318	1.8
297.17026	3.0
303.12189	1.7
308.98984	1.2
315.18097	11.5
333.19516	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	333.191
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
55.01876	7.6
55.05521	15.0
57.03436	5.3
57.07079	9.8
59.05010	3.3
61.02923	6.5
67.05513	10.2
69.03432	18.2
69.07082	18.3
70.06606	6.8
71.05000	36.4
71.50902	4.6
72.08179	3.6
73.02940	8.1
73.06544	4.5
79.05495	17.4
81.03413	10.5
81.07066	44.2
83.04996	5.9
83.08631	5.6
84.08112	5.1
85.02917	55.1
85.06073	5.4
85.06550	56.5
86.09724	4.5
91.05472	17.4
93.07059	34.6
95.04971	7.8
95.08620	17.4
96.04475	3.7
97.02906	17.5
97.06529	22.2
98.98479	36.8
99.04472	4.3
100.98889	3.3
105.07050	18.0
107.04969	8.4
107.08605	42.7
109.02887	7.7
109.06507	6.9
109.10184	9.3
111.04430	7.5
111.08086	6.7
112.59457	3.1
113.09660	7.2
115.05470	4.4
117.07020	5.8
119.08591	15.6
121.06543	5.2
123.08070	5.1
123.11674	4.1
127.03931	8.2
129.07098	5.4
131.08580	9.9
133.06511	6.4
133.10138	3.8
134.55177	3.2
135.08156	4.8
135.11690	31.9
137.05998	37.5
137.09579	4.9
141.12781	6.0
142.08710	3.3
143.08554	9.7
145.04955	7.3
145.06468	4.5
145.10143	8.8
147.04410	4.2
147.08070	17.7
147.11732	3.9
149.09673	4.8
153.07091	4.4
153.09129	11.4
153.12755	100.0
155.08583	8.6
157.06450	4.4
159.08087	5.5
159.11739	5.2
160.84341	3.4
161.09657	4.0
163.05984	5.2
165.12770	20.1
167.07068	44.0
171.08061	4.8
171.10187	12.6
171.11560	3.3
171.13809	12.1
173.05997	4.5
173.09659	13.6
173.13060	7.4
174.13240	3.8
175.07541	7.0
175.84969	3.5
177.12750	7.8
181.07556	5.1
182.08470	3.3
183.08102	9.7
183.13931	3.7
189.12724	5.9
195.09181	4.0
197.07182	7.8
198.07861	6.1
201.09076	7.7
207.13953	5.4
209.07190	6.9
211.07481	8.2
213.06635	11.9
215.13997	3.4
219.13863	6.9
223.08792	7.4
227.08179	5.6
229.08594	21.3
231.13776	3.7
233.07402	3.7
239.08200	3.8
241.06226	3.3
241.10043	3.3
247.48367	3.1
249.14944	4.7
251.08221	8.9
255.07707	5.4
261.14828	5.4
269.09192	7.3
279.16080	6.0
287.10321	22.4
288.10101	8.4
297.08618	6.1
297.17096	9.7
315.09784	27.9
315.13077	6.2
315.17996	14.4
333.10825	57.3
333.14621	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	333.1907
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.21787	1.8
53.03940	5.8
55.01872	5.7
55.05511	5.2
57.03445	11.8
57.07078	23.9
58.95087	2.0
59.05001	11.4
61.02929	9.7
67.05515	12.1
68.32054	2.0
69.03429	34.4
69.07066	17.6
71.05003	10.6
71.51609	2.1
73.02931	7.3
79.05482	5.8
81.03424	14.3
81.07054	7.7
83.04962	3.8
83.08611	9.0
85.02906	91.5
85.06551	14.0
85.10154	2.3
86.09679	5.0
87.04466	3.4
87.10036	2.3
91.03971	6.9
91.05476	6.5
93.07034	9.7
95.04958	6.7
95.08610	69.8
97.02892	29.1
97.06006	1.9
97.06526	11.6
98.98472	9.6
99.04430	8.2
99.08096	17.0
107.08606	12.7
109.02899	11.0
109.06545	11.7
109.10157	22.0
111.04452	3.3
111.08089	11.9
111.11706	2.3
113.09648	95.5
115.33392	1.7
121.02859	3.8
121.10217	2.5
121.80103	2.0
123.04456	2.6
127.03936	19.2
127.11198	53.1
135.11732	17.3
137.05968	15.3
137.09633	3.0
137.13240	7.8
139.71294	2.0
145.04961	28.9
147.04292	3.0
151.07599	3.0
153.12747	100.0
155.14287	18.6
163.06052	2.6
167.07063	12.7
167.08266	2.1
171.13797	64.4
177.12849	3.1
179.27510	1.9
213.14883	5.4
238.97501	2.1
243.11359	3.6
269.68237	2.2
276.44946	2.0
288.10028	2.5
301.11798	4.2
315.09686	3.9
315.13098	2.4
333.10620	4.7
333.14780	2.9
333.18970	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	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57659	0.8
53.03946	1.1
55.01864	0.9
55.05521	4.5
56.96563	0.8
57.03436	1.5
57.32506	0.7
58.06592	0.7
59.04984	0.8
61.02919	2.7
61.74340	0.7
67.05486	0.9
68.75201	0.7
69.03428	4.6
69.94212	0.8
70.06587	1.1
71.04993	1.7
72.08159	1.8
73.02940	1.2
73.34032	0.8
79.05486	2.5
81.03417	1.8
81.07064	9.9
83.05001	1.1
83.08611	5.4
84.08141	2.3
85.02448	1.1
85.02919	12.7
85.06532	2.1
86.09696	1.1
91.05476	1.8
94.04188	2.0
97.02902	4.8
98.09700	2.4
98.20737	1.7
98.97607	1.3
98.98463	0.8
99.08096	1.7
108.08119	2.6
109.02872	1.2
109.06528	10.5
113.33070	0.8
114.41405	0.6
121.06499	7.5
121.49332	0.7
122.03658	4.2
124.07715	0.8
126.09164	31.4
127.03909	2.4
127.07546	12.4
136.07536	1.1
137.05986	100.0
138.06326	1.5
145.04991	1.8
154.08640	42.3
155.07039	22.0
164.07060	7.4
168.07419	1.0
172.09698	75.3
184.08394	1.0
210.11267	0.9
211.02922	0.8
254.06313	1.1
289.15399	1.3
311.25595	0.8
334.08459	1.7
334.16425	1.3
334.20178	3.5
335.15961	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	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
57.03437	1.2
57.35394	0.8
60.84446	0.8
61.02924	2.6
61.11172	0.9
61.76399	0.7
69.03451	5.5
71.04996	1.0
71.24374	1.3
73.02932	1.0
80.27627	0.7
81.03414	1.7
81.07050	1.7
84.08147	1.0
85.02909	28.4
91.03979	2.0
91.05487	12.8
97.02908	5.9
109.02900	2.8
109.06519	0.9
119.04935	8.2
121.06518	1.0
127.03923	4.4
137.05988	100.0
138.06319	1.0
145.04980	7.3
149.05940	1.3
151.07611	1.2
154.38039	0.8
155.07018	11.0
163.06001	1.0
172.09691	1.2
179.07117	1.7
180.08649	4.5
202.76266	0.8
203.06987	1.0
217.05453	1.0
218.95711	0.7
263.09027	1.4
281.10172	1.0
287.25217	0.7
311.68536	0.9
334.14090	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72880	0.9
53.03953	1.1
55.01855	4.2
55.05523	4.8
57.03421	1.5
57.07070	4.8
67.05183	1.1
67.05506	12.5
69.06736	1.1
69.07064	6.5
70.64916	1.6
70.65257	1.9
71.04974	1.4
71.08634	10.2
72.04520	73.2
79.05502	6.8
81.03410	0.9
81.06657	1.3
81.07063	15.1
82.52255	0.9
83.05003	1.1
83.08628	1.8
85.06528	3.1
88.07651	1.7
91.05486	6.3
93.07043	10.8
95.04985	15.3
95.08614	21.3
97.06557	5.2
98.98474	2.5
99.08071	5.0
100.07632	1.7
101.60092	0.9
105.07022	8.0
107.08596	12.0
109.06523	23.0
109.07253	1.3
109.10148	5.8
114.09171	15.5
117.06985	1.4
119.08594	6.8
121.06508	4.4
121.10140	4.0
123.08066	1.7
123.11693	1.1
125.58141	0.9
128.10728	7.2
131.08563	5.3
133.10133	7.7
135.08043	3.0
135.11745	1.6
137.05981	1.6
137.09584	1.7
142.12263	3.7
145.10124	3.9
147.11708	3.7
149.05986	1.3
149.09633	1.6
149.13275	4.0
151.14810	1.3
156.13799	2.9
159.11703	1.2
163.11151	1.8
163.14862	1.5
165.12764	100.0
168.13884	1.4
173.13234	6.5
175.11185	3.3
175.14755	1.3
177.12730	0.9
179.14331	1.9
180.13893	2.6
182.15410	15.4
184.13374	3.3
191.14342	6.6
194.15414	2.1
201.12761	5.7
212.16479	8.9
220.16985	11.5
229.19534	4.1
236.17662	2.0
236.20094	39.7
253.19518	2.0
261.22290	1.5
266.21149	1.4
271.20572	7.0
289.21527	8.3
310.01566	1.0
316.26315	7.5
334.27417	77.1
335.25623	5.0
351.03030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0742
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
51.82366	2.7
53.09534	2.9
59.51188	2.4
61.22357	2.4
69.04972	2.6
69.70231	14.7
69.70595	5.7
81.80014	2.6
91.66761	2.5
95.95004	2.9
104.30357	3.2
108.33600	3.5
278.87640	2.6
280.90515	2.7
335.07410	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	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
65.03940	4.8
67.05502	4.9
68.64684	1.3
69.07071	100.0
71.52235	1.3
71.52666	1.8
79.05488	4.0
81.07069	8.1
83.04970	1.6
91.05483	1.8
92.04994	3.4
93.07026	3.3
94.06567	1.8
95.04976	2.9
95.08607	1.7
97.06532	17.0
105.07011	2.4
106.05555	1.6
107.08577	2.2
109.02862	1.5
109.06514	3.1
117.07038	1.7
119.08601	2.8
121.05266	1.5
121.06588	1.7
122.06033	7.3
123.13635	1.6
124.07578	1.9
125.06017	1.8
133.10211	1.9
137.05984	9.6
138.05524	4.4
140.07076	8.8
145.08894	2.7
145.10097	3.6
146.09663	4.5
148.03915	4.5
150.05502	76.7
157.08867	2.2
160.07677	2.6
161.08360	2.8
162.09206	1.6
166.05011	25.7
172.07596	2.3
172.11185	3.9
174.09209	2.4
174.12808	6.6
175.12798	1.5
176.03404	7.1
186.09148	1.5
188.10692	2.3
190.12248	3.7
194.04491	3.7
200.10655	4.8
202.12300	5.8
216.10257	4.2
218.11766	28.8
226.08611	1.4
228.10208	15.3
229.13364	1.7
234.11272	3.7
244.09720	1.8
245.13083	2.1
246.11227	24.0
256.09808	1.8
271.10809	4.9
272.09097	2.7
273.12350	4.1
274.10605	4.4
287.10168	8.8
289.11780	13.8
290.10318	1.6
299.10239	6.6
317.11343	34.0
335.08743	3.2
335.12439	33.5
335.18536	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
55.05516	1.6
56.65835	0.8
59.71356	0.8
65.03957	1.0
67.05493	2.0
68.99775	1.1
69.03418	3.2
69.07056	2.7
71.51398	1.2
73.02905	1.2
74.53391	0.8
79.05500	2.7
81.03431	2.4
81.07054	2.6
83.04997	1.5
84.08156	0.9
85.02912	2.4
85.06509	1.0
87.46351	0.8
91.05473	3.8
93.07036	1.4
95.04974	1.2
95.08595	2.5
95.17459	0.8
97.02895	4.9
97.06535	2.0
98.98320	0.8
99.04448	1.2
100.38896	1.0
105.07018	2.7
107.04952	0.9
107.08583	4.6
109.02895	2.3
109.06519	1.5
109.10168	1.7
117.07026	1.4
119.04990	1.1
119.08581	3.2
120.08092	0.9
121.06530	1.5
121.10159	2.5
122.06081	1.4
127.03817	1.0
128.06216	1.0
129.07008	2.2
131.08566	2.9
133.10135	2.5
134.06020	1.9
137.13220	1.1
142.06516	1.5
143.08551	1.7
145.10149	3.4
146.09663	1.1
147.04434	1.4
147.11705	2.5
149.13264	1.2
152.07085	2.1
154.06477	1.0
155.07304	1.3
155.08543	1.4
156.08057	4.3
157.10133	1.3
158.10918	3.5
159.11664	2.4
166.08620	1.8
167.07239	2.6
172.11221	1.3
173.09639	1.1
173.13278	9.7
174.09187	1.7
182.08377	2.8
183.06769	1.0
184.07602	4.1
185.09642	2.5
185.13271	1.2
187.14848	1.0
189.12813	1.0
191.14334	4.9
197.07108	2.8
197.10846	1.9
198.07874	2.5
198.09381	1.3
199.08714	1.2
199.12486	1.2
200.10709	2.7
208.06171	1.2
210.09325	7.4
211.08678	3.0
212.09082	2.1
212.10982	9.1
213.10707	1.3
214.08662	2.0
220.36513	0.8
225.06583	3.5
225.10292	4.0
226.07204	24.5
227.08264	6.7
227.11768	9.1
228.10185	4.5
228.85515	0.9
235.08620	1.2
237.10226	11.4
239.08173	3.1
240.08952	7.8
241.09564	1.4
244.09772	5.0
253.09711	10.7
255.11308	57.7
256.09683	26.9
269.09177	1.6
270.06326	10.4
271.07034	1.3
281.09213	11.0
287.10333	5.1
288.07471	12.4
289.11777	1.4
299.10294	55.7
317.11337	100.0
318.11621	1.7
335.12421	16.0
335.18585	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	335.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
55.58522	1.8
57.03429	2.8
59.04969	1.6
67.05511	3.2
69.03423	7.5
69.07066	13.7
70.06599	5.1
71.04975	2.3
71.07849	4.6
72.08156	3.6
76.04003	4.4
77.22912	1.9
79.05496	15.9
81.03409	6.5
81.07037	5.3
83.04968	2.8
84.08152	4.1
85.02898	12.7
86.09696	3.6
91.05448	2.9
93.07046	5.4
95.08602	8.0
97.02896	8.0
97.06582	2.2
101.07079	2.0
101.56813	1.8
103.01804	1.7
105.07052	22.5
105.78960	1.8
107.08637	2.7
109.02851	3.6
109.06521	13.2
109.10191	2.3
111.04406	2.5
111.08098	2.1
118.06557	5.3
119.07314	4.7
120.08158	3.3
121.06493	5.1
123.08098	4.2
124.07589	2.6
127.03939	6.9
137.05988	4.7
137.09639	32.1
139.11154	3.8
141.09099	3.4
145.04990	2.7
155.10681	67.1
157.31395	1.9
164.07083	89.2
173.07112	3.2
173.11790	3.2
180.19130	1.6
262.10806	2.1
271.10751	3.8
287.10260	6.6
289.12650	1.7
289.15500	10.2
292.67218	2.1
299.10352	4.6
317.11246	8.0
335.12521	6.6
335.16006	100.0
336.18069	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	335.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97308	1.3
53.03937	4.3
55.01873	2.1
55.05504	6.2
61.83545	1.6
65.03938	5.7
66.56512	1.5
67.05512	51.7
69.03094	2.2
69.03436	30.4
69.07060	7.7
71.04984	2.9
71.53018	2.4
79.05072	2.3
79.05497	28.0
81.03435	6.8
81.07058	50.6
83.04980	15.1
83.08617	3.4
85.02901	3.2
85.06528	8.2
91.05492	24.2
93.07053	100.0
95.04382	3.5
95.04974	58.3
95.08614	34.0
97.02909	2.4
97.06529	10.0
99.04462	2.6
105.07043	31.6
107.04951	2.5
107.08603	71.8
109.02879	7.5
109.06534	11.5
109.10166	16.1
111.08080	6.0
117.07018	7.5
119.08598	19.3
121.06507	23.8
121.09329	2.1
121.10157	25.6
123.08060	8.7
123.11702	8.5
125.09583	1.6
127.03951	4.2
128.06181	2.0
129.06979	4.3
130.07747	1.9
131.08580	8.5
133.10150	14.0
135.08054	11.9
135.11714	9.1
137.05966	6.1
137.09602	4.4
137.13196	2.1
139.07542	10.1
139.11162	2.0
142.07753	2.3
142.39413	1.4
143.08575	8.6
145.06464	1.9
145.10143	14.1
147.08023	2.3
147.11690	13.3
149.09607	4.2
149.13249	2.3
151.11220	11.6
153.09035	2.5
155.08499	2.6
157.10127	10.0
159.11725	13.1
161.09555	4.1
161.13269	7.7
163.11168	6.5
165.09077	2.4
165.12782	2.0
169.10194	1.8
169.12210	2.3
171.11728	2.2
173.13310	3.5
175.11221	11.0
175.14841	3.6
177.12761	8.3
179.10585	1.8
183.11699	2.9
185.13246	18.9
187.14865	2.1
189.12769	2.2
197.13231	1.7
201.16325	2.1
203.14301	16.7
203.17873	1.6
205.12166	1.6
211.07596	3.1
213.12720	2.8
213.42969	1.5
223.13297	12.4
231.13821	4.6
249.14880	81.2
271.20734	1.8
275.10464	2.2
277.08539	3.6
299.20151	3.5
303.10196	5.5
305.08069	3.2
307.13086	1.9
317.21106	9.1
317.24838	6.4
320.07007	1.8
320.10449	3.8
335.09042	2.9
335.12720	26.9
335.18552	2.1
335.22055	7.0
335.25906	10.0
335.29868	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
53.70509	1.8
55.01892	1.6
55.05514	21.4
57.03442	14.8
57.07049	2.8
57.73933	1.9
65.03944	3.9
67.05508	83.5
69.03435	2.8
69.07071	21.4
71.04988	11.6
71.52578	2.8
75.52845	2.3
77.03915	2.6
79.05495	43.1
81.07058	77.5
83.08630	8.5
91.05484	41.8
91.06030	3.1
93.07050	55.8
95.04977	11.7
95.08612	59.3
97.06555	5.1
97.10185	5.2
105.07035	48.4
105.07689	3.3
107.08604	37.4
107.09299	2.3
109.06535	4.7
109.10162	26.6
111.08106	2.7
115.05460	3.4
116.06268	3.8
117.07008	11.7
119.08588	44.9
119.09361	3.2
121.10157	25.7
123.08096	4.2
123.11739	7.6
128.06242	5.1
129.07056	7.9
130.07802	4.2
131.08572	42.1
131.09529	2.3
133.10133	48.8
135.08087	8.8
135.11713	16.9
137.09679	4.1
142.07808	7.4
143.08562	19.4
143.09395	1.8
144.09418	5.2
145.10124	35.3
145.11162	2.7
147.08170	2.4
147.11703	13.8
149.09692	5.3
149.13295	5.4
153.07045	2.4
155.08589	9.2
156.09329	9.2
157.10150	19.0
158.10948	5.8
159.11670	17.6
161.09685	7.3
161.13329	5.4
163.11307	3.0
167.08580	2.9
169.10100	9.5
170.10983	4.0
171.11687	17.1
173.13281	31.7
175.14839	12.1
179.08670	3.9
180.09277	3.5
181.10236	4.4
182.10944	4.1
183.11758	6.1
185.13326	6.9
187.11174	2.5
187.14845	14.2
189.16446	2.5
193.10233	5.0
194.10970	2.2
195.11797	8.8
196.12572	2.4
197.13222	11.3
199.11241	2.1
199.14825	10.5
201.16458	2.7
207.11679	5.2
208.12531	2.4
209.13382	6.5
211.14970	6.8
212.15605	3.4
213.12773	2.8
221.13358	6.5
223.14957	5.8
235.14801	4.3
237.16476	4.0
243.21101	2.7
251.17986	4.4
255.17632	2.5
261.22281	5.1
265.19641	2.6
277.19736	8.8
283.10181	2.1
292.21930	2.4
335.25992	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03943	2.8
55.05521	15.1
57.03446	14.0
65.03941	3.5
67.05510	75.3
67.33268	1.9
69.07079	14.1
71.53566	2.7
72.69374	2.0
79.05077	2.8
79.05499	40.5
81.06599	3.6
81.07062	67.4
83.08608	7.0
85.06575	2.0
91.05489	17.0
93.07045	33.1
95.04955	2.5
95.08611	63.2
97.06572	4.0
97.10188	2.1
101.07018	2.2
105.06989	11.4
107.08598	17.3
109.10174	19.9
111.08100	3.4
117.06987	2.6
119.08597	8.5
121.10149	17.7
123.11712	6.5
131.08594	6.7
131.62337	2.1
133.10132	6.0
135.11655	12.1
137.13272	3.2
140.24007	1.9
145.10123	5.9
147.11679	6.5
149.13245	4.9
159.11736	3.4
161.13156	2.1
163.14920	3.2
179.14421	3.0
241.47784	2.0
243.21169	3.0
250.45601	2.0
261.22195	8.2
335.25818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03939	2.8
55.01863	1.6
55.05518	14.2
57.03193	1.4
57.03442	15.8
65.01324	1.2
65.03934	2.3
67.05511	71.6
69.07079	15.1
71.04975	1.4
79.05499	33.6
81.07065	62.8
83.04971	1.8
83.08639	6.3
85.06524	1.2
91.05491	16.1
93.07052	39.0
95.04965	2.3
95.08614	51.0
97.06520	2.3
97.10145	2.8
105.07037	9.8
107.08604	18.3
109.06492	1.1
109.10167	22.0
117.07014	2.8
117.24394	1.0
119.08595	7.3
121.10153	12.7
123.11694	8.7
127.45405	1.1
127.46350	0.9
128.89200	0.9
131.08588	6.5
133.10129	5.2
135.11700	9.2
137.13223	2.5
145.10115	3.9
146.63766	1.0
147.11719	5.7
149.13264	3.4
159.11742	3.7
161.13283	3.7
163.14856	2.5
164.20639	1.0
165.12614	1.1
173.13277	3.9
175.14873	1.5
187.14839	1.7
191.36781	1.1
243.21127	3.1
261.22195	7.0
317.24722	1.3
335.25815	100.0
336.26254	1.5
358.90601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
51.05662	0.6
53.34267	0.5
56.96537	0.6
59.30125	0.6
63.28340	0.4
65.00214	0.5
65.41656	0.5
70.06567	0.6
71.05022	1.0
71.62303	0.5
85.01395	0.9
87.97141	0.4
96.38270	0.4
98.97570	2.2
101.00893	3.0
103.02428	1.0
112.99119	0.6
113.00855	2.2
116.98602	0.6
119.01919	1.4
127.02433	2.9
131.01875	2.0
133.03429	0.6
139.02402	1.5
141.52203	0.5
145.03456	4.5
155.01906	2.8
156.91411	0.5
157.03473	3.6
158.99644	0.9
171.01402	1.3
173.02992	3.4
185.02969	1.0
189.02307	0.8
199.00856	0.7
217.01938	11.4
229.01926	3.0
235.02965	2.2
247.03024	2.0
247.06786	0.6
277.07635	0.8
295.08582	0.9
311.51208	0.4
337.08905	100.0
338.09323	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1434
Annotation	Eryvarin D
Peak:m/z	Relative Intensity
55.01845	0.4
60.81704	0.2
64.75298	0.2
68.58038	0.1
71.04974	0.6
75.04482	1.2
81.07025	0.2
83.04955	0.2
85.02897	0.2
89.03893	0.2
91.05468	0.3
105.06995	0.3
117.03331	0.3
129.06987	0.3
134.03629	0.3
137.05927	0.5
141.06960	0.2
144.05473	0.2
146.03505	0.2
149.05983	1.0
151.07530	0.4
157.06461	0.2
158.07233	0.4
161.06004	0.9
163.07541	0.2
163.64912	0.1
165.07059	0.2
169.06439	0.5
175.07527	0.4
179.06956	0.3
179.08517	0.3
181.06500	0.6
182.07204	0.3
183.08029	0.4
185.05843	0.2
186.06778	0.4
187.07469	0.4
189.06931	0.4
189.09048	0.5
190.07726	0.4
191.08553	0.9
195.08000	0.3
197.05981	0.5
198.06688	0.3
199.07542	0.8
201.07233	0.3
201.09084	2.6
202.07779	2.0
203.08572	3.2
204.09355	0.4
205.06488	0.6
205.10135	0.4
206.07173	0.3
207.08168	0.3
208.08824	0.5
209.05937	0.4
210.06856	0.2
211.07507	0.6
212.08334	0.3
213.09071	1.0
215.08563	2.4
215.10460	0.3
216.09352	0.7
217.06479	0.2
217.10127	1.3
218.07355	1.0
219.08041	5.3
220.08875	0.9
221.06035	0.3
221.09604	0.5
222.06749	0.2
223.07538	0.3
223.11142	0.3
224.08290	0.6
225.05524	0.3
225.09090	0.6
227.08533	0.3
229.06424	0.3
230.07243	1.4
231.08054	7.4
232.08841	2.6
233.05992	0.5
233.09605	3.4
234.06683	0.6
234.10376	1.2
235.07581	1.0
235.11171	1.1
236.08353	0.9
237.09003	0.4
238.09932	0.3
240.07793	0.6
241.08565	0.6
242.07248	0.3
243.08076	1.8
244.08871	1.5
245.09608	6.5
246.06645	0.4
246.10397	6.6
247.07542	8.3
247.11092	0.7
248.08342	4.6
249.05415	0.5
249.09109	1.2
250.06189	0.6
250.10022	0.3
251.06970	0.5
251.10686	1.6
253.08572	0.2
254.09514	0.3
255.10172	2.8
257.09644	0.5
258.06781	1.0
258.10501	0.4
259.07553	3.8
260.08295	2.1
261.05756	0.3
261.09100	8.8
262.09882	10.9
263.07098	1.1
263.10666	10.1
264.07806	3.2
264.11044	0.6
265.08600	2.3
266.09265	0.2
266.12888	0.3
268.10977	0.2
269.08163	1.0
272.08243	0.5
273.09094	4.8
274.09885	9.9
275.07050	4.5
275.10645	9.5
276.07819	5.5
276.11273	0.8
277.05444	0.3
277.08588	1.6
277.12219	8.2
278.09338	1.7
278.12906	0.6
279.07016	0.3
279.10159	5.9
283.09650	2.5
284.10355	0.8
287.10703	0.4
288.11423	0.5
289.08560	3.2
289.12152	1.5
290.09366	10.7
291.10141	30.1
292.07257	3.0
292.10703	0.9
293.08066	1.7
293.11725	0.9
294.08817	0.8
294.12543	1.0
303.10150	0.6
304.10965	1.1
305.11719	38.5
306.12482	34.1
307.09653	15.2
307.12927	0.9
308.10339	3.0
309.11176	2.0
309.14731	0.9
319.13232	2.8
320.10501	0.3
321.11206	4.2
322.11984	15.2
323.12439	0.3
337.14328	100.0
338.14682	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28547	0.9
53.03961	1.4
55.01870	1.2
55.05521	1.8
55.85178	0.8
56.96554	1.9
57.03444	1.2
57.76799	0.8
61.02914	1.7
67.05502	5.4
69.03452	7.9
71.04985	1.8
71.13170	1.2
72.08135	1.2
73.02937	1.5
74.37165	0.8
79.05501	29.1
81.03436	2.3
81.07055	7.5
83.04980	2.7
85.02904	10.5
87.04471	1.7
91.05495	2.3
92.68469	1.0
93.07051	10.5
95.04974	2.7
95.08612	34.3
97.02893	3.1
98.97572	6.0
99.04457	3.3
103.05433	1.2
105.07039	61.0
107.08575	1.2
109.02889	2.0
109.06508	1.4
110.97581	2.4
111.08086	5.2
116.98595	2.2
117.05497	1.5
123.08079	49.2
127.03964	2.4
128.98582	1.4
137.05988	7.7
141.09114	100.0
143.00287	1.0
145.04985	6.1
151.07597	1.2
153.09106	1.8
158.99648	2.5
159.10178	29.7
163.03894	1.8
163.05992	2.7
176.12726	1.9
180.05475	2.1
182.99750	1.3
187.04297	1.3
189.05974	1.3
193.04459	1.2
219.01796	2.1
233.03249	1.2
237.09149	0.9
257.06723	1.2
259.06534	12.5
259.56674	4.9
260.07104	1.6
261.08197	1.5
267.12369	2.8
268.07254	1.1
285.13321	6.6
303.14383	3.0
338.11865	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	338.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
55.01870	1.6
55.05502	1.3
56.07454	0.5
56.96577	1.1
57.03428	1.6
57.68315	0.7
61.02911	1.6
61.70932	0.5
67.05505	4.2
69.03435	4.2
69.71825	1.2
69.72218	1.9
69.95040	0.6
71.04998	1.1
72.08138	0.7
73.02925	1.6
76.66032	0.5
79.05501	10.1
81.03423	1.0
81.07071	3.7
83.04995	0.7
85.02919	7.8
87.04495	0.8
91.05491	1.4
93.07051	4.2
95.04984	1.7
95.06812	0.6
95.08614	15.2
97.02894	2.3
97.06541	2.2
98.97587	3.2
99.04477	0.9
105.07043	10.8
107.08617	4.4
111.08085	1.1
115.79099	0.5
116.98602	0.9
121.06506	1.0
123.08076	67.6
125.09659	1.1
127.03933	1.6
130.27539	0.5
137.05974	2.4
139.07567	0.6
141.09111	100.0
143.10655	4.6
145.04964	2.5
158.99689	1.4
159.10165	6.0
161.11777	0.8
164.07147	0.8
172.55884	0.6
176.12852	1.4
236.09344	0.9
259.06570	0.9
261.08136	0.8
265.57950	0.8
266.07193	2.2
285.13223	1.2
303.14221	0.8
338.11618	2.5
338.15805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.05506	1.5
57.03444	32.6
60.52537	1.4
61.10633	1.6
67.05498	5.6
69.03436	3.9
69.07069	10.6
71.04987	3.4
71.51689	1.6
73.20042	1.4
73.89297	1.6
79.05479	1.6
81.03419	6.1
81.07063	27.4
83.08636	3.3
85.02908	9.6
85.06540	5.2
89.03914	2.3
95.08605	1.5
96.84751	1.4
97.02879	2.3
109.02887	3.3
117.03380	4.7
123.11710	55.6
123.12606	2.9
127.03928	1.8
134.44057	1.2
141.12755	100.0
143.97845	1.4
145.02861	18.3
149.05989	2.2
159.13823	97.9
163.91924	1.5
177.05498	37.4
177.63611	1.5
187.99316	1.5
217.12283	3.6
240.23653	1.4
287.05450	2.3
301.49149	1.9
321.09857	4.0
338.11404	5.8
338.14941	3.9
361.02420	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.01881	0.5
57.03452	0.8
61.02927	0.3
69.03444	5.0
69.37395	1.5
69.37801	0.7
71.05011	0.4
73.02932	0.6
79.05515	0.4
81.03427	9.7
81.07058	0.5
83.05001	0.3
85.02924	4.2
89.03929	6.1
91.05490	0.9
93.07055	0.5
97.02904	1.5
99.04466	1.1
103.05479	0.4
106.04179	0.4
109.02906	3.2
117.03396	22.2
119.04969	0.4
121.06542	0.5
127.03938	2.0
134.03606	1.5
135.04391	0.8
137.05978	0.6
145.02863	53.4
146.03084	0.3
148.22772	0.3
149.06003	7.1
151.03894	0.5
160.14117	0.3
162.03148	0.4
163.03900	1.0
177.05492	100.0
178.05864	0.7
186.05452	0.7
186.91496	0.4
195.06549	2.2
307.09686	0.5
321.09720	13.3
339.10828	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	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03947	1.1
54.35279	0.4
55.01887	0.5
63.02376	0.6
67.05508	1.0
69.03436	3.3
69.83901	0.4
69.84197	2.2
71.04984	0.8
71.26073	0.4
78.04719	0.4
79.05496	1.3
81.03426	7.6
81.07056	1.6
85.02913	3.8
89.03923	7.2
91.05492	1.8
93.07053	0.7
95.05011	0.5
97.02895	1.7
98.21418	0.5
99.04455	1.1
103.05476	1.6
105.07024	0.7
106.04181	0.5
107.04951	1.0
107.08514	0.4
108.05700	0.5
109.02879	2.8
109.06506	0.7
111.04441	0.4
117.03391	21.2
117.07039	0.6
119.04957	0.4
121.06474	0.8
121.10204	0.4
123.11684	0.4
127.03917	1.4
131.04956	3.8
134.03680	2.2
135.04378	1.0
136.05231	0.9
137.05983	4.0
144.05696	0.5
145.02856	54.4
146.07263	1.1
147.04410	0.7
149.05998	8.0
149.13206	0.5
150.06790	1.1
151.03897	1.0
151.07555	9.5
154.08678	0.5
161.05995	0.6
162.03214	0.6
163.03888	0.9
163.07555	4.8
165.05560	2.0
165.06856	0.4
165.09123	7.7
175.07578	0.7
177.05482	100.0
177.08920	5.9
178.05809	0.7
184.78668	0.4
186.05479	1.9
187.07574	0.7
189.07054	0.4
189.09068	1.1
191.08572	0.9
195.06503	2.6
201.09091	0.6
208.08899	0.4
218.07243	0.4
219.08122	0.9
235.07433	0.8
246.06787	0.7
247.07501	0.9
249.09145	0.9
250.09851	0.6
251.10732	0.7
261.09109	1.7
263.06992	1.1
264.07800	0.5
274.06204	0.4
277.08331	0.5
279.10214	1.1
285.07440	0.9
289.08469	0.8
292.07172	0.6
293.11743	0.6
300.12491	0.4
306.08795	0.6
307.09567	3.8
307.12970	0.7
308.14026	1.1
311.12863	1.9
321.09509	6.3
324.09900	0.5
339.11874	6.4
339.15952	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
52.50883	0.3
62.83613	0.3
65.03934	0.6
69.03417	0.3
71.18591	0.6
83.04988	0.6
85.02908	0.4
86.82580	0.3
91.05486	8.7
111.04428	0.4
117.13197	0.3
119.04950	23.7
145.02840	0.8
147.04417	100.0
148.04755	0.5
165.05482	0.5
177.05434	1.1
190.04387	0.3
224.83334	0.3
239.64502	0.3
301.84897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03941	1.0
54.23943	0.5
55.01875	0.8
55.05491	0.5
62.13529	0.5
65.03935	1.4
67.05486	0.6
69.03426	2.3
69.07060	0.6
69.45911	1.2
69.46323	2.9
71.04996	0.6
81.03426	6.1
81.07067	1.2
83.04993	1.4
85.02896	2.8
86.09708	1.5
88.28075	0.6
89.03928	3.4
91.05493	11.2
93.07032	0.6
95.04996	0.8
97.02889	0.8
98.21522	1.0
103.05482	0.7
105.07046	0.7
107.08585	0.7
109.02875	2.3
111.04481	0.6
117.03399	11.7
119.04949	25.9
119.08604	0.9
120.08112	0.9
125.64080	0.6
127.03925	1.6
134.03630	0.9
135.04405	1.3
137.06026	2.9
139.01054	0.7
145.02852	31.0
147.04417	100.0
149.05984	4.5
163.03929	1.8
164.07088	0.8
165.05487	0.9
177.05482	57.8
180.06584	0.9
188.08224	0.7
195.06494	1.2
205.06543	1.4
247.07834	0.7
265.09006	0.7
307.09750	0.8
321.09613	6.5
322.14078	1.1
339.08673	2.0
339.14670	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	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03949	1.7
55.01872	0.5
57.03436	0.8
61.02938	0.4
63.02402	0.4
69.03432	5.3
70.80739	0.7
71.04990	1.1
73.02909	0.5
74.98981	0.3
78.04694	0.3
81.03422	13.9
83.01392	0.3
85.02914	4.9
89.03920	6.4
89.04429	0.5
91.05484	0.6
97.02895	1.4
99.04450	1.3
102.54278	0.3
106.04214	0.3
109.02898	4.3
117.03383	22.3
127.03915	1.7
134.03625	1.8
134.31995	0.3
135.04462	0.7
137.05940	0.3
145.02849	57.4
147.04424	0.5
149.05988	6.8
162.03143	0.4
163.03911	0.8
177.05476	100.0
178.05807	0.6
186.05522	0.8
195.06561	2.6
279.08746	0.6
291.27731	0.3
321.09689	18.3
339.10788	5.3
339.15222	0.5
347.86310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.08562	0.4
53.03941	1.3
53.68567	0.4
55.01861	0.9
55.05509	0.9
57.03442	0.7
57.07042	0.4
58.32154	0.4
67.05503	2.3
69.03429	5.5
69.07064	1.1
71.00054	0.4
71.04985	0.8
73.02888	0.7
75.49564	0.4
79.05499	3.4
81.03420	8.5
81.07057	3.7
83.04971	2.0
83.08623	1.2
85.02919	3.9
89.03916	6.3
91.05481	2.7
93.07043	2.9
95.04957	1.0
95.08598	1.9
97.02882	2.0
97.06521	0.9
97.08627	0.4
99.04446	0.9
103.05475	2.4
105.07035	2.6
107.04946	1.5
107.08592	1.0
108.05710	0.5
109.02886	3.0
109.06525	1.5
109.10143	0.5
111.04435	1.0
117.03383	22.5
117.07047	1.5
119.04934	0.6
119.08575	1.2
121.06518	2.1
123.11671	0.6
127.03941	3.0
129.06998	1.0
131.04948	5.6
131.08568	1.7
133.06456	0.7
133.10092	1.0
134.03644	1.4
135.04433	1.8
135.08064	0.9
135.11699	1.0
135.41489	0.5
136.05217	1.4
137.05966	3.9
137.54135	0.4
141.06976	0.7
143.08530	0.9
145.02853	50.5
145.10056	0.6
146.07277	1.8
147.08055	0.8
147.11745	1.0
149.05997	7.3
149.13234	0.9
150.06734	1.7
151.07556	14.6
157.06323	0.4
157.10149	0.9
159.11708	1.6
160.05264	0.8
162.03119	0.6
163.03857	0.5
163.07547	9.2
165.07791	1.0
165.09117	11.6
171.11658	0.8
174.06812	0.9
175.07545	1.7
175.11241	0.6
177.05478	100.0
177.09027	10.0
177.12698	1.3
178.05855	0.7
186.05560	1.4
187.07559	1.1
189.09143	1.6
195.06554	2.7
198.68501	0.4
200.22144	0.5
201.09106	1.6
203.41327	0.5
217.12201	0.5
219.13693	0.6
248.12086	0.6
285.14645	0.7
290.94296	0.5
293.11642	0.9
303.15952	1.5
307.09799	0.8
307.13184	1.6
308.14139	1.7
321.09656	6.5
321.16968	2.3
339.11063	3.1
339.15915	9.9
339.22418	0.7
342.29135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2896
Annotation	7alpha-Methoxy-8-labdene-3beta,15-diol
Peak:m/z	Relative Intensity
53.03943	2.5
55.05270	2.8
55.05515	32.6
57.07073	14.3
67.05179	2.5
67.05509	28.8
69.03436	1.7
69.07075	49.3
69.89091	3.7
69.89495	5.6
71.05023	2.5
71.08633	4.9
79.05492	10.8
81.03419	2.4
81.07065	100.0
83.04987	2.5
83.08160	2.1
83.08630	32.8
85.06548	18.1
85.10190	3.1
87.51691	1.3
91.05476	4.9
93.07056	20.1
95.04912	2.1
95.08614	89.4
97.06533	6.8
97.10175	25.6
99.08086	1.8
101.06052	1.8
105.07053	8.4
106.91630	1.6
107.08602	20.8
108.85177	1.6
109.06514	4.1
109.10163	53.9
111.08087	4.8
111.11736	18.1
115.07571	4.0
119.08624	9.4
121.10153	16.8
123.08080	5.0
123.11712	32.3
125.09696	2.0
125.13270	7.5
127.07562	4.9
129.09146	2.2
131.04947	3.1
131.08559	2.7
133.10135	9.5
135.08109	2.0
135.11694	12.0
137.09636	3.5
137.13272	24.5
139.11198	2.0
141.09081	3.0
145.10103	3.8
147.11678	8.5
149.09653	2.7
149.13283	10.7
151.07565	5.6
151.11179	5.2
151.14803	9.3
153.09009	2.0
153.12778	3.2
155.10677	1.8
159.11685	4.5
161.13257	9.2
163.07608	2.4
163.11057	1.8
163.14816	5.5
165.09126	6.0
165.12737	8.8
165.16425	3.4
167.10733	2.4
169.12260	3.5
173.13261	1.7
175.14836	3.8
177.05476	5.2
177.09193	2.3
177.12798	2.7
177.16304	2.2
179.14325	6.8
179.18022	1.9
183.13829	4.7
189.16417	3.4
193.15923	4.3
195.13766	5.0
197.15273	2.1
203.18010	2.9
207.17467	2.5
211.16835	1.6
221.19035	3.2
237.18326	2.0
251.20143	2.9
261.25751	3.6
265.21600	3.2
285.25812	6.5
303.26794	15.2
307.12552	3.2
308.13931	2.0
321.27875	39.8
339.15265	4.8
339.29044	22.5
340.29510	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	341.087
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
53.35605	0.2
55.01888	0.2
57.03421	0.3
60.97782	0.2
61.02928	0.4
62.13448	0.2
69.03431	1.0
69.88696	0.9
71.04976	0.4
75.63205	0.2
77.03924	0.3
77.49843	0.2
81.03414	0.3
82.93033	0.2
85.02907	2.2
89.03892	0.4
97.02883	0.9
99.04518	0.2
103.05477	0.5
105.03416	0.4
107.05008	0.2
109.02889	0.4
115.05389	0.2
117.03373	0.4
122.03663	0.5
123.04441	9.0
127.03886	0.2
129.06981	0.4
131.04909	0.8
133.02866	8.1
135.04439	1.9
137.05980	4.7
140.68733	0.2
145.04980	0.3
147.04440	0.5
149.05991	0.4
151.03920	3.6
157.06474	0.4
163.07510	0.3
174.06760	0.3
175.07567	0.7
177.05565	0.4
179.03404	100.0
180.03708	0.6
187.07510	1.6
189.09120	0.6
196.05273	0.2
202.07899	0.2
203.08615	0.4
211.07559	0.7
217.08629	0.7
219.08133	0.4
220.08775	0.4
227.07083	0.7
231.08070	0.9
239.07071	0.5
240.07813	0.5
247.07617	0.4
248.08339	0.9
255.06522	0.6
256.07361	0.2
259.07614	0.4
260.08542	0.2
263.10733	0.9
264.07870	0.2
265.08664	0.4
266.00345	0.2
270.08923	1.2
271.09686	1.2
276.07819	0.5
277.08453	0.2
279.10260	0.6
280.22372	0.2
283.09662	0.4
291.10178	2.0
293.08264	0.3
308.10831	0.2
311.12747	0.7
323.12909	1.9
341.09076	1.7
341.13702	2.1
341.17606	0.3
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	Hydranthomycin
Peak:m/z	Relative Intensity
53.03930	1.0
65.03951	0.9
69.31217	1.0
69.85622	4.9
71.93257	0.8
79.05505	1.3
81.07012	1.2
86.06066	1.4
86.09700	1.3
91.05482	3.2
94.04179	2.4
98.20866	1.1
103.05470	1.2
105.07007	0.9
107.04947	2.2
109.06527	2.8
110.07153	2.1
115.05419	1.5
119.04925	1.1
119.14209	0.8
121.06513	1.4
122.03667	7.8
128.06242	2.4
129.06999	8.1
131.04930	3.3
131.08539	1.5
132.60240	1.2
133.02776	1.4
133.06552	1.1
137.05984	100.0
138.06299	1.3
139.05486	1.1
144.05737	4.1
145.06541	1.2
146.07343	2.1
147.04411	2.0
147.11298	0.9
149.05992	1.8
151.03935	1.4
151.07539	3.8
153.05525	1.2
157.06520	7.3
158.07259	1.9
160.05191	1.6
161.05975	3.8
163.07539	2.3
165.05440	2.0
165.07033	1.1
171.08080	2.2
172.03897	1.3
172.05159	7.0
173.05920	1.3
174.06775	14.2
175.07533	9.7
176.79677	0.9
177.05493	1.6
179.07065	1.0
185.06015	1.3
187.07559	37.9
188.08408	1.4
189.09117	16.9
191.08586	4.9
192.49460	1.0
196.05147	1.1
199.07634	5.8
202.06126	1.2
202.07780	3.4
203.08571	12.1
205.06512	2.5
207.08168	1.3
208.08768	2.4
211.07570	4.0
217.08601	23.5
218.07240	1.8
219.08047	12.4
220.08789	3.0
221.05907	1.4
222.06822	1.1
227.07011	5.8
231.08061	13.1
232.08800	2.7
233.05959	1.5
233.09573	2.5
235.07549	2.9
236.08354	2.7
237.09111	2.3
239.07018	2.6
240.07822	2.4
247.07562	8.5
248.08328	16.0
249.09045	2.1
251.10713	6.6
253.08618	2.5
255.06465	5.6
259.07458	3.9
260.08304	2.1
261.09103	4.8
263.06885	2.3
263.10681	14.0
264.07715	3.8
265.08603	5.2
268.07339	1.7
269.08081	1.2
270.08871	13.2
271.09683	8.6
275.06940	1.3
276.07819	9.5
277.08582	5.7
279.10153	15.2
280.10910	3.4
281.08121	3.5
283.09735	2.6
291.10162	32.2
292.10971	2.9
293.08127	6.0
293.10956	1.0
295.09833	1.8
296.10403	12.0
297.11163	2.6
305.11551	1.7
308.10434	4.9
309.11252	3.0
311.12735	18.1
323.12827	41.2
341.09937	1.9
341.13815	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	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.65862	1.3
57.07182	1.2
61.84322	1.3
69.22366	8.9
69.22773	2.6
71.04989	3.5
74.53089	1.2
82.70774	1.3
91.05507	3.0
94.04173	2.3
107.04957	2.2
109.06486	2.4
122.03656	6.1
129.06992	5.5
131.04868	3.5
133.02859	4.4
137.05980	100.0
144.05734	3.0
145.06468	3.3
147.04405	1.4
149.05977	3.6
151.03922	4.2
151.07526	4.7
153.05399	1.3
157.06493	5.1
159.08047	1.7
160.05243	1.8
161.05994	2.8
163.07532	3.7
165.05492	3.9
172.05139	3.0
174.06697	6.8
175.07552	19.9
177.05432	4.0
177.09081	3.0
179.07030	4.3
185.98387	1.3
187.07541	36.6
188.08224	2.0
189.09091	14.8
191.07025	2.5
191.08560	1.9
196.05264	3.3
197.05855	2.0
199.07591	5.4
202.07796	2.7
203.08562	10.3
205.08588	1.7
211.07565	15.1
213.05408	1.7
217.08601	18.3
219.08066	7.0
220.08791	4.3
225.05490	1.7
227.07080	13.6
228.07672	2.6
231.08066	16.6
232.08841	3.2
233.05931	2.1
235.07500	1.5
236.08420	3.2
237.08778	1.5
239.07013	13.6
240.07887	8.7
241.08600	3.4
247.07515	5.5
248.08382	17.9
249.08910	2.1
251.10649	4.5
255.06522	13.1
256.07336	7.2
259.07550	6.3
260.08264	2.6
261.09128	2.8
263.10651	23.5
264.07730	3.3
265.08609	5.4
268.07382	5.0
269.08069	2.7
270.08859	40.9
271.09653	48.4
276.07767	12.0
277.08710	4.7
279.10135	11.3
281.08234	2.5
281.11691	3.8
283.09515	13.8
291.10181	60.8
291.13507	3.0
292.10965	5.3
293.08060	5.7
296.10428	7.6
297.11191	3.1
308.10394	7.2
309.11249	1.8
311.12842	13.8
313.14285	2.5
323.12772	56.5
341.09955	2.5
341.13824	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	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
60.62955	1.7
67.58080	1.5
68.20812	1.5
70.64364	3.8
70.64684	2.1
71.05001	3.4
81.07050	2.1
91.05473	3.2
94.04195	3.7
103.05480	3.5
109.06531	3.1
115.05450	2.1
122.03667	7.3
128.06175	2.7
129.06984	6.4
131.04930	4.9
133.02873	7.4
135.80624	1.8
137.05983	100.0
145.06454	3.0
147.04468	2.1
149.05980	3.7
151.03854	2.7
151.07567	7.5
153.05533	2.1
157.06473	6.2
160.05202	2.7
161.05997	2.1
161.79266	1.5
163.07547	4.0
165.05496	4.6
172.05219	4.3
174.06776	8.3
174.60440	1.6
175.07570	16.5
177.05450	7.0
179.07071	3.5
185.06017	2.2
187.07559	36.0
188.08286	2.3
189.09120	13.7
191.08560	2.2
196.05208	5.4
199.07561	2.6
202.07779	3.4
203.08588	12.0
205.06584	2.4
205.08525	2.1
208.08850	2.4
211.07504	18.3
212.04614	2.6
213.05504	4.6
217.08595	17.0
219.08052	8.1
220.08781	8.2
225.05472	2.2
227.07042	22.6
228.07841	2.3
231.08073	17.1
232.08882	4.1
233.06158	3.6
233.09402	1.8
236.08354	2.4
237.09044	2.1
239.07034	14.2
240.07788	10.8
241.08693	1.7
247.07588	4.8
248.08360	22.1
248.47591	1.7
249.09113	2.6
251.10757	1.8
253.08757	3.8
255.06573	16.1
256.07327	7.9
259.07568	4.7
260.08463	2.9
261.08963	3.0
262.06305	1.9
263.08029	3.1
263.10654	20.6
264.07727	3.5
265.08621	5.4
268.07275	3.4
269.08078	3.6
270.08875	41.9
271.09674	45.2
276.07764	12.2
277.08578	7.5
279.10159	12.0
280.10925	2.1
281.08185	2.6
281.11560	2.7
283.09644	11.9
291.10178	55.7
292.10913	3.6
293.08063	4.4
295.09567	1.8
296.10477	5.5
297.07706	1.8
297.11267	3.8
305.11557	2.7
308.10507	9.5
311.12723	14.5
323.12793	40.3
323.16330	3.6
341.13852	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	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
52.73025	0.9
53.74587	0.7
55.01882	0.9
61.48887	0.7
65.32789	0.8
69.35071	5.0
79.05489	1.7
81.07068	1.6
87.84856	0.7
91.05478	2.9
93.03397	0.9
94.04195	3.1
98.21526	1.5
101.70903	0.7
103.05499	1.8
106.94209	0.8
107.04955	1.0
109.06519	2.2
115.05526	1.0
116.40466	0.8
121.91538	1.0
122.03652	8.1
128.06255	3.0
129.07019	8.8
131.04953	3.5
131.08565	1.1
133.02893	1.2
135.04449	1.0
137.05983	100.0
138.06294	0.8
140.38231	0.8
143.04919	1.3
143.08582	1.3
144.05705	3.0
146.07245	1.2
147.04420	1.1
149.05939	1.4
151.03979	1.2
151.07587	4.9
153.05470	1.4
156.05759	1.0
157.06465	6.6
158.07285	2.0
160.05185	1.1
161.05952	1.7
163.07600	2.2
165.05531	1.7
165.06985	1.2
172.05222	5.9
173.05945	1.5
174.06783	12.1
175.07582	8.1
177.05519	2.4
178.70271	0.7
179.07056	1.1
179.08553	1.1
185.05919	1.7
187.07553	47.3
189.07343	1.7
189.09091	17.0
190.07817	1.1
191.06998	1.3
191.08618	3.1
196.05220	1.4
199.07564	4.8
202.06247	0.9
202.07770	4.0
203.08542	12.9
205.06433	2.2
207.08144	0.9
208.08890	2.0
211.07565	2.7
217.08600	24.7
218.07260	2.6
219.08080	11.2
220.08842	6.1
221.05986	1.5
221.09731	1.5
225.09068	1.6
227.07036	8.1
231.08054	14.5
232.08839	2.4
233.05939	2.5
233.09671	2.8
234.06850	1.2
235.07533	2.3
236.08365	3.3
237.08990	2.2
239.07024	3.1
240.07819	2.5
247.07571	10.0
248.08340	15.7
249.05411	1.1
249.09175	2.1
251.10637	6.6
253.08681	3.1
254.09311	1.2
255.06534	5.8
256.07217	1.5
259.07584	7.7
260.08258	1.8
261.09161	3.6
262.09915	1.3
263.07089	1.0
263.07614	1.3
263.10693	16.7
264.07867	3.3
265.08640	5.3
268.07254	1.9
269.08185	1.2
270.08853	15.5
271.09659	9.9
275.07175	1.0
276.07828	9.2
277.08493	4.1
278.05792	0.9
278.09286	1.2
279.10156	15.6
280.10947	2.2
281.08170	1.9
281.11740	1.8
283.09735	3.9
291.10168	37.5
292.10901	3.7
293.08139	6.8
293.11264	1.2
295.09641	1.6
296.10406	9.8
297.10962	2.1
305.11847	1.7
308.10516	4.9
309.11240	2.3
311.12790	20.0
313.14459	1.1
320.35016	0.8
323.12784	45.5
341.13843	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	341.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45702	1.0
56.88842	0.9
61.19925	1.1
70.21616	3.7
70.21965	1.3
79.05495	1.9
81.07071	1.1
83.45858	1.2
91.05466	2.8
94.04182	2.7
95.25154	1.0
105.07045	6.6
109.06525	3.2
115.05434	4.3
117.07059	1.1
119.08607	1.9
122.03641	8.4
128.06232	2.2
129.07019	2.3
131.04866	1.5
132.05685	1.5
133.06496	4.6
137.05986	100.0
140.41362	0.9
143.04897	0.9
145.06470	1.3
146.03712	1.6
147.08046	3.6
149.05995	1.6
156.05745	1.5
159.08018	3.1
160.05179	2.0
161.05956	10.3
165.07019	1.3
175.07552	29.5
185.06061	1.1
187.07506	12.1
189.07068	2.2
190.07768	4.6
191.08582	10.1
199.07558	9.5
202.07791	3.4
203.08568	5.3
208.08745	1.2
218.07291	2.0
219.08083	12.3
220.08952	2.0
231.08093	6.5
232.08792	2.4
235.07416	1.4
236.08325	2.3
237.09085	1.1
247.07626	6.1
248.08333	3.3
251.10690	16.4
253.08525	1.8
259.07571	4.1
260.08325	3.0
263.10648	2.9
277.08521	2.3
279.10114	13.8
280.10925	1.8
291.10223	7.1
292.10849	2.4
311.12836	16.6
323.12714	4.4
333.75778	1.0
341.13846	1.7
357.30530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01854	0.9
68.54609	0.7
71.25968	1.6
79.05475	1.4
81.07030	0.8
83.30176	0.8
91.05477	4.5
94.04173	2.6
103.05470	2.6
105.07048	5.5
107.04933	2.3
109.06508	2.1
115.05463	2.4
117.06993	1.5
119.08576	1.8
121.06495	2.3
122.03669	8.1
128.06215	2.3
129.07008	3.3
130.06526	2.0
131.04922	3.2
132.05711	2.1
133.02846	1.2
133.06520	6.5
137.05980	100.0
144.05737	1.2
145.06471	1.0
146.07269	0.8
147.04411	1.3
147.08051	4.5
149.05975	1.9
151.07559	9.8
155.04907	0.9
156.05672	1.3
157.06476	2.2
159.08092	1.9
160.05159	2.0
161.05986	8.3
162.06769	0.8
163.07535	2.7
165.05507	1.1
167.07095	0.7
171.07982	1.7
172.05219	2.3
174.06775	2.1
175.07545	21.4
177.05504	1.6
177.09079	5.1
178.05862	0.8
179.07053	1.5
184.05232	0.8
185.05981	1.2
185.39343	0.7
187.07555	16.1
189.09067	4.6
190.07794	2.5
191.08577	7.3
196.05257	0.8
199.07536	6.0
202.07709	3.6
203.08557	7.1
211.07538	4.0
217.08615	4.2
218.07280	2.6
219.08043	12.1
220.08835	2.5
221.06172	0.8
221.09746	1.0
225.09026	0.8
227.07037	4.1
231.08008	6.9
232.08908	1.8
233.05968	0.9
233.09618	1.4
234.06677	0.8
235.07608	1.6
236.08315	1.7
237.09055	1.2
239.07056	2.1
240.07774	2.3
247.07549	6.2
248.08299	6.5
249.09035	1.2
251.10675	12.9
253.08629	1.0
255.06636	2.6
256.07260	1.2
258.06665	1.0
259.07483	3.8
260.08374	1.1
261.09015	1.3
263.10623	6.8
264.07672	1.3
265.08603	1.7
270.08859	7.6
271.09662	9.1
276.07892	2.7
277.08582	2.4
279.10190	12.0
280.10834	1.6
281.08105	1.2
283.09686	2.6
291.10153	17.2
292.10843	2.7
293.08139	2.1
294.08755	1.0
295.13217	1.5
296.10440	3.0
305.11942	1.2
308.10403	2.7
309.11267	1.0
309.14752	1.0
311.12796	13.7
320.19937	0.8
323.12790	14.1
326.15140	1.4
341.13843	8.9
341.17566	2.3
348.46432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1387
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03925	2.3
55.01865	2.1
55.41218	1.2
56.96570	24.3
57.03429	5.6
61.02652	2.3
61.02932	26.3
67.05493	2.7
69.03433	9.8
70.98116	5.7
71.01351	1.4
71.04988	4.3
71.21004	1.5
71.21326	2.3
72.08160	1.5
73.02918	5.4
79.05487	6.0
81.03419	4.0
81.07069	3.1
83.04993	1.3
84.96030	2.4
85.02904	27.9
86.03225	1.3
87.04453	2.7
91.03946	2.5
91.05478	5.1
93.07032	2.1
94.04189	3.2
95.04940	1.8
95.08620	1.7
97.02895	7.4
98.97584	25.5
99.04445	2.9
101.00871	2.8
101.99664	1.6
102.01519	1.4
102.96899	1.7
103.02456	1.5
103.05469	9.6
104.26371	1.2
105.00159	6.4
105.07041	5.4
107.04951	3.6
107.08607	1.4
109.02860	2.8
109.06518	4.8
109.52606	1.3
110.01254	2.3
110.97591	3.1
111.02135	1.2
111.04427	1.6
112.99155	3.9
116.98614	7.0
117.09116	1.8
118.01007	1.9
118.08639	3.0
119.01872	8.8
119.04908	2.6
121.06507	6.6
122.03669	6.9
123.00298	1.2
123.01212	5.3
123.08069	1.3
124.95486	2.1
127.03893	9.2
128.02309	3.5
128.98608	6.2
129.07002	4.2
131.00168	3.9
131.01910	3.1
131.04938	23.5
131.05849	2.2
132.00732	6.2
133.02812	3.5
134.99496	1.2
135.03102	5.2
135.04437	2.1
135.07901	1.4
137.05978	100.0
139.05495	1.5
140.98637	2.2
141.01259	10.5
141.02191	1.8
142.96494	2.0
143.00175	2.4
143.01888	2.8
143.04907	2.6
144.05716	1.4
145.04965	3.9
145.06497	1.5
146.99644	4.7
147.01355	2.1
147.04362	2.9
148.02046	2.7
148.03851	2.5
149.01219	1.7
149.03014	1.5
149.06003	6.1
150.01793	9.0
151.03909	1.8
151.07558	7.1
153.05482	2.4
155.01898	1.9
157.02588	4.2
157.06494	4.6
158.99693	5.9
159.01196	1.1
160.05205	3.9
161.01173	2.9
161.02879	2.7
161.06004	2.4
163.03914	3.9
163.06177	1.7
163.07503	8.1
165.05498	7.5
167.07016	2.8
168.01842	1.9
169.54536	1.3
170.96063	1.8
171.03259	2.2
172.05148	3.4
173.01167	2.5
174.06699	8.4
174.99149	4.8
175.00674	1.9
175.02670	2.5
175.07552	14.5
176.03407	2.6
177.00746	2.9
177.02301	4.4
177.05466	5.3
177.09067	3.0
178.04959	3.6
178.55115	5.5
179.00177	2.4
179.03615	3.4
179.05589	3.0
179.07098	4.8
181.07117	3.7
182.01686	1.6
184.01372	2.3
184.03096	2.3
184.97520	1.5
185.01271	1.9
185.05862	1.6
187.04497	2.9
187.07542	30.0
189.00674	4.2
189.09096	10.7
191.02185	3.4
191.03899	1.8
191.08589	1.7
193.00262	4.3
195.03304	2.2
196.01344	5.0
196.05246	4.2
197.01126	9.9
197.04666	1.6
199.04604	2.7
199.07991	4.2
201.00771	2.2
202.07802	2.0
202.98734	1.4
203.02321	2.6
203.08641	11.7
204.02934	2.0
205.00093	3.2
205.01857	7.4
205.06429	1.3
207.05095	1.8
207.33308	1.4
211.07576	13.9
212.02588	4.5
212.04584	1.8
213.03304	6.6
213.05362	1.3
214.98633	1.8
215.02202	9.5
217.08623	14.4
218.07156	1.5
219.01715	7.4
219.08125	6.0
220.04156	15.2
220.08881	4.4
220.99541	2.4
221.04944	1.7
221.09590	2.5
223.02855	2.6
223.04895	1.6
225.06100	3.8
226.02361	20.7
226.52530	2.5
227.07054	15.3
228.07797	2.4
229.04660	8.6
231.08075	13.4
232.08781	3.0
232.99750	2.4
233.03270	2.9
233.06224	2.2
235.02872	17.3
235.04735	1.9
235.53084	3.1
236.08203	1.9
237.02859	3.5
237.06067	2.1
237.09096	1.8
239.07144	9.2
240.07823	9.5
241.03804	12.3
241.08730	2.7
242.03586	7.6
243.07288	2.7
244.03432	2.1
244.99666	1.5
245.05054	4.0
247.07541	5.5
248.08354	19.6
249.09235	2.0
250.57274	2.4
251.04436	3.4
251.07288	4.1
251.10745	2.6
255.02078	1.5
255.06584	15.1
256.07315	5.1
259.04886	8.0
259.07578	7.8
259.57620	6.1
260.08264	3.1
261.09143	3.0
263.00659	2.7
263.06485	1.8
263.10638	21.5
264.07806	2.5
265.08575	3.5
268.07181	3.1
269.08383	3.7
270.08868	25.2
271.09653	31.7
271.12592	1.8
273.06360	2.5
275.06125	2.6
276.07861	10.0
277.08652	3.8
279.07327	2.2
279.10144	10.0
280.10849	1.9
281.08533	2.9
281.11475	1.9
283.09668	8.6
285.02646	2.9
291.10159	49.7
292.10870	5.0
293.08154	5.5
296.10480	4.6
297.11240	3.0
303.03705	2.9
305.11597	4.1
308.10489	4.0
309.11264	1.5
311.12817	10.6
313.14319	3.0
323.06204	4.5
323.12799	45.2
327.03738	3.3
330.99808	1.9
341.07257	2.5
341.13901	39.9
342.14493	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	341.1747
Annotation	(R)-Isomillinol B
Peak:m/z	Relative Intensity
50.83771	0.5
53.03939	0.5
55.01867	1.1
58.32410	0.5
59.32584	0.5
65.03943	1.3
65.07893	0.4
65.58603	0.5
66.04704	0.7
67.05519	0.5
69.68248	2.5
71.05011	0.6
77.03923	0.8
79.05479	2.7
80.06300	0.7
81.07062	1.5
91.05476	7.4
93.07044	1.1
94.04181	3.3
95.04944	1.0
103.05462	6.2
105.07037	9.2
107.04952	6.2
107.08560	0.8
108.05753	1.7
109.06526	2.1
113.03976	0.5
115.05470	2.2
117.07023	2.5
119.04936	1.6
119.08578	0.8
121.06499	11.2
122.02787	0.6
122.03646	7.4
123.04470	0.7
123.08066	0.9
128.06213	1.0
129.07004	3.0
131.04929	10.4
131.08572	0.8
132.05690	0.7
133.02814	0.6
133.06496	32.1
135.04445	2.6
135.08040	2.8
136.05200	10.3
137.05977	100.0
138.06384	0.7
143.04932	1.8
143.08527	1.4
144.05663	1.3
145.06491	5.4
146.07268	8.5
147.08055	14.2
149.06021	2.4
150.06773	5.4
151.07542	83.2
152.07950	0.6
153.05608	0.6
157.06474	3.9
158.07240	0.9
159.04482	0.5
159.08054	2.4
160.05212	0.8
160.08856	1.0
161.05945	3.4
161.09631	0.7
162.06779	3.1
163.03844	0.5
163.07550	14.9
164.08307	0.8
165.05470	1.0
165.09116	11.8
167.07060	1.2
171.08058	2.2
172.05202	1.1
172.08899	0.5
173.06033	0.6
174.05457	0.7
174.06732	3.2
175.07538	6.5
176.08392	2.3
177.05742	0.8
177.09111	40.8
177.81070	0.5
178.05814	0.8
178.09639	0.5
179.07156	0.8
179.10651	0.7
187.07556	9.6
188.08334	1.8
189.09106	9.5
191.08868	0.6
191.10684	2.4
199.07552	1.0
201.09096	2.3
202.07878	1.0
202.09883	1.3
203.08531	3.3
203.10657	3.6
211.07527	3.0
215.10617	0.6
217.08533	2.6
217.12280	1.7
219.08046	2.3
220.08821	1.0
221.09560	0.8
225.09113	0.7
227.06970	3.3
231.08066	2.7
233.05959	1.1
235.07553	1.2
239.06970	1.6
240.07706	1.4
240.12410	0.5
245.09752	0.7
247.07530	1.5
248.08238	3.6
249.09129	1.8
250.06244	0.5
250.09671	0.6
251.10608	1.4
255.06470	1.7
256.07263	0.9
259.07428	1.5
260.08218	0.7
262.09946	0.7
263.07916	0.6
263.10602	3.6
264.07831	0.6
265.08563	1.8
268.07300	0.9
270.08920	4.9
271.09708	5.5
276.07684	1.2
276.11063	0.5
277.08609	1.1
277.12253	1.4
278.12985	1.4
279.10132	1.9
280.10895	0.7
281.08365	0.6
281.11798	1.4
283.09653	1.1
291.10153	8.5
292.10556	0.8
293.07870	0.7
294.12460	0.7
295.13263	0.6
296.10455	1.0
308.10410	1.1
309.11124	1.5
309.14822	12.9
310.15613	0.6
311.12854	2.7
313.14182	0.6
323.09280	0.9
323.12772	7.5
326.15109	12.1
339.15997	0.7
341.13730	5.9
341.17438	18.3
342.17657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1751
Annotation	(R)-Isomillinol B
Peak:m/z	Relative Intensity
50.25982	0.5
53.03951	0.8
55.01872	1.1
55.05522	0.7
61.78658	0.4
65.03938	0.6
67.05509	1.4
68.35830	0.5
69.03444	1.2
69.07095	0.8
71.04993	0.8
71.50292	0.4
79.05496	3.6
80.06264	0.6
81.03420	1.2
81.07064	2.9
83.04991	1.0
85.02894	0.8
89.79088	0.4
91.05492	6.5
93.07066	2.5
94.04208	2.1
95.04994	1.4
95.08601	2.6
95.51906	0.4
97.02899	0.6
97.06531	1.0
103.05471	6.5
105.03407	0.5
105.07038	9.6
107.04961	7.0
107.08609	1.1
108.05756	2.0
109.06535	2.8
109.10140	0.5
111.04427	0.5
115.05475	2.1
117.07033	3.1
119.04935	1.3
119.06121	0.6
119.08595	1.6
121.06526	9.6
122.03659	6.7
123.04511	0.6
123.08072	1.1
127.03903	0.8
128.06250	1.1
129.07008	3.6
131.04938	10.1
131.08569	0.7
132.05672	0.6
133.02882	0.5
133.06506	29.9
135.04434	3.5
135.08044	2.4
135.11650	0.7
136.05208	8.5
137.05991	100.0
138.06375	0.7
139.07545	0.6
143.04948	1.2
143.08583	1.5
144.05704	1.4
145.06483	4.7
146.07269	7.6
147.04407	1.1
147.08060	12.3
149.05977	2.7
149.09639	0.9
150.06779	4.7
151.07556	77.6
155.06142	0.5
157.06491	4.1
158.07260	1.1
159.04477	2.5
159.08096	1.8
160.05205	1.3
160.08803	0.8
161.06030	4.1
161.09615	1.0
162.06772	2.5
163.07559	16.0
165.05463	0.8
165.09138	11.1
167.07098	1.2
171.08055	1.7
172.05264	0.9
173.05966	0.9
173.09604	0.5
174.06755	4.2
175.07561	6.1
176.08289	2.6
177.09126	38.5
178.07968	0.7
178.09512	0.6
179.07086	0.5
179.08597	0.6
185.09579	0.6
187.07558	11.3
188.08377	1.7
189.07375	0.9
189.09134	10.8
189.12863	0.5
190.07840	0.6
191.08682	1.1
191.10710	2.1
195.07961	0.6
197.08038	0.5
198.62509	0.5
199.07565	1.3
201.09106	2.0
202.07898	0.9
202.09862	1.0
203.08603	3.0
203.10689	4.1
205.06560	0.6
207.08022	0.7
211.07523	1.9
213.05516	0.5
215.08553	0.7
217.08557	4.6
217.12254	1.5
218.07213	0.7
219.08188	2.7
220.08797	2.0
225.09200	0.6
227.07042	1.3
231.08054	3.0
232.08778	1.2
233.09598	1.4
234.10281	0.5
235.07558	1.5
236.08353	0.6
237.09123	1.4
239.07008	1.8
240.07803	1.8
242.98271	0.4
247.07538	2.1
248.08380	3.6
249.09058	1.5
250.06342	0.7
250.09831	0.6
251.10698	2.1
253.08545	0.8
255.06563	1.2
256.07217	1.0
259.07544	1.9
260.08365	0.8
261.09076	1.7
262.10046	0.6
263.07022	1.5
263.10727	4.7
264.07794	1.0
265.08447	2.3
267.10129	0.8
270.08887	2.4
271.09616	3.8
276.07858	2.3
277.08661	1.6
277.12213	2.0
278.13013	1.6
279.10077	3.8
280.10895	0.6
281.07977	0.5
281.11768	1.6
282.08789	0.8
283.09702	1.4
291.10190	10.4
292.10828	1.0
293.08157	1.6
294.12384	0.5
295.09619	2.6
295.13049	1.1
296.10413	1.3
297.11218	2.0
300.09900	0.7
308.10373	1.2
309.11255	2.3
309.14795	14.0
311.12723	4.5
313.14194	0.9
323.12799	10.4
323.18463	1.7
326.15134	13.1
339.15765	0.6
341.10538	0.6
341.13770	13.8
341.17508	21.5
342.17770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32848	1.3
53.03942	4.6
55.01866	4.8
55.05301	1.3
55.05515	11.7
57.03422	3.4
65.03943	3.1
67.05508	24.8
69.03099	1.5
69.03432	24.4
69.07072	7.7
69.73844	3.1
69.74268	5.8
71.01304	1.1
71.04995	10.0
71.44572	1.1
79.05499	20.6
81.02939	1.4
81.03423	25.5
81.07062	38.2
83.04994	16.0
83.08631	6.4
85.02905	12.2
85.06542	5.0
91.05491	22.7
93.07053	20.9
94.04199	3.5
95.01315	1.5
95.04984	8.6
95.07997	2.0
95.08607	36.5
97.02332	1.8
97.02876	11.4
97.06531	11.6
97.10178	4.1
99.04456	5.0
99.08095	2.6
103.05473	9.2
105.07030	20.2
107.04962	6.5
107.08588	11.5
109.02898	5.9
109.06533	12.4
109.10162	7.2
111.04448	2.7
111.08062	3.4
115.03870	1.5
115.05461	2.2
117.07030	7.9
119.04939	2.8
119.08578	16.7
121.06517	7.9
121.10163	7.3
122.03658	7.3
123.04430	4.0
123.08038	8.9
125.09643	3.4
127.03897	13.9
128.06226	3.4
129.06987	10.8
131.04936	17.8
131.08563	9.3
132.05672	2.0
133.02823	3.1
133.06467	6.3
133.10139	9.5
135.08061	5.9
135.11676	6.7
137.05984	100.0
137.09601	3.7
139.07515	2.1
143.08543	3.8
144.05678	2.3
145.06477	3.2
145.10136	4.0
146.07320	1.8
147.04404	3.3
147.08057	3.3
147.11705	3.2
149.06035	7.1
149.09637	2.2
149.13249	2.8
151.03893	4.0
151.07556	25.2
155.08582	2.0
157.06497	4.3
157.10104	2.9
159.08076	4.6
159.11693	2.8
160.05200	2.8
161.05991	6.6
161.09615	1.7
161.13254	15.4
163.07574	8.3
163.11256	2.0
165.05511	4.8
165.09174	2.1
167.06985	2.9
169.08611	1.9
171.07976	2.2
171.11710	3.4
172.05209	4.6
173.11798	2.2
173.13219	3.4
174.06734	6.7
175.07539	17.4
175.11139	1.7
177.05455	6.2
177.09103	4.4
177.12762	3.4
179.07011	4.7
179.14310	7.6
181.06525	1.9
183.11696	1.8
185.09555	2.5
187.07536	28.4
188.08153	1.9
189.09129	14.7
190.07790	2.1
191.06981	3.0
191.08673	3.6
191.14288	1.7
195.13832	2.4
196.05214	4.0
199.05782	1.4
199.07593	3.3
201.12666	1.4
202.07787	3.4
203.08600	13.0
205.06477	3.0
205.08553	1.7
207.13780	3.8
208.08809	1.8
209.15323	4.9
211.07556	13.2
213.05457	1.9
217.08574	12.7
219.08147	7.0
219.13744	2.0
220.08768	4.6
221.09663	2.3
221.15492	2.6
225.05536	1.8
225.14844	6.0
227.07024	9.7
227.14203	2.3
230.07436	1.5
231.08090	13.6
232.08769	3.0
233.05962	2.1
233.15295	1.9
235.07600	1.8
236.08414	2.2
237.09027	1.8
237.14842	9.1
239.07066	10.3
240.07758	4.5
245.15353	2.3
247.07637	6.3
248.08359	15.2
249.09001	2.9
249.14888	2.6
251.10614	5.3
251.16393	4.3
253.08630	1.9
255.06526	8.6
256.07346	5.0
259.07574	5.3
259.16946	2.0
260.08221	1.7
261.08984	2.9
262.09937	1.6
263.10654	16.6
263.16446	6.0
264.07907	2.8
265.08511	5.0
267.10281	1.9
268.07205	2.8
269.15591	3.1
270.08908	19.7
271.09726	26.0
275.16449	2.4
276.07840	8.3
277.08591	5.8
277.18048	3.1
279.10178	11.7
280.10855	2.2
281.08054	4.0
281.11502	3.2
283.09680	7.5
287.16422	8.4
291.10150	47.6
292.10889	5.1
293.08084	4.1
293.11349	1.8
293.17310	2.2
296.10416	5.0
297.11108	2.0
302.70444	1.4
305.11804	3.6
305.17465	22.3
308.10382	4.9
309.11108	5.1
311.12704	10.7
323.12744	33.2
323.18527	39.4
341.10562	2.7
341.13834	42.3
341.19717	9.1
355.18802	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
55.05518	57.1
57.07077	53.1
62.91788	2.1
67.05511	21.1
69.07074	100.0
69.94352	8.1
69.94767	3.4
71.08640	45.7
79.05483	8.4
81.07066	48.0
83.08623	81.7
85.06557	9.6
85.10181	22.3
91.05492	5.2
93.07047	16.3
94.99860	2.3
95.08611	44.9
97.06559	13.2
97.10178	59.7
98.20889	3.8
99.11738	5.1
103.05471	3.1
105.06417	3.2
105.07016	16.0
107.08602	20.4
109.06501	4.7
109.10174	31.0
110.85541	2.3
111.08091	8.5
111.11726	40.6
112.47095	2.4
113.13254	3.7
115.07585	11.6
119.08622	13.0
121.10135	17.6
123.08072	7.2
123.11678	13.3
125.09676	5.8
125.13272	15.4
127.07557	8.2
129.07016	2.5
129.09117	6.9
131.04924	5.1
133.10152	11.9
135.11696	10.3
137.06004	29.7
137.09634	10.8
137.13263	8.1
139.11188	5.6
139.14833	7.1
141.09084	7.5
141.98212	2.5
143.10675	3.6
147.11671	19.0
149.13245	9.7
151.03836	2.6
151.07539	4.0
151.11200	11.9
151.14789	3.9
153.12726	9.3
153.16423	4.0
155.10611	5.9
157.12279	5.3
161.13269	12.6
161.14571	2.4
163.07611	2.7
163.14851	4.0
165.12753	16.0
165.16374	2.6
167.14320	6.1
169.12259	9.0
171.13867	2.9
175.07585	6.2
175.14841	7.5
177.16412	6.4
179.14331	21.2
181.15829	2.3
183.13811	8.2
185.15347	3.4
187.07570	12.6
189.09158	3.0
189.16335	4.8
191.17958	2.6
193.15935	7.5
193.19473	2.5
195.17616	3.3
197.15398	7.1
203.08617	4.4
203.17966	3.4
205.19569	4.6
207.17467	5.4
209.18997	4.0
211.07526	5.8
217.08568	5.2
217.19478	4.6
219.08292	2.7
223.20506	5.8
227.07068	6.3
231.08084	7.8
239.07071	4.0
240.07721	2.6
241.21501	3.4
247.07555	3.6
248.08340	6.9
249.22174	6.0
255.06416	6.4
256.07150	3.5
261.25839	2.6
263.10617	7.1
263.27328	8.1
270.08707	11.3
271.09763	12.2
276.07767	4.6
283.09521	4.6
287.27313	15.9
291.10162	18.3
305.28494	14.7
311.12775	3.5
323.12836	16.4
323.29248	4.1
341.13815	9.1
341.26703	5.8
347.69873	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	342.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.8
57.03436	0.8
57.07076	12.1
59.04972	0.7
61.02924	1.6
69.03426	3.4
69.43965	4.1
70.06600	3.5
71.05020	0.9
80.05772	0.6
81.03416	1.8
83.05216	0.6
83.08643	3.2
85.02909	14.0
86.09734	0.6
89.06033	30.7
93.66113	0.6
97.02877	4.6
98.20833	1.2
99.04485	0.6
101.09663	15.0
101.94669	0.6
107.07076	31.9
109.02895	1.1
112.25075	0.6
127.03931	2.3
137.05991	4.3
138.06320	2.7
145.04941	1.8
145.12210	0.7
163.13303	100.0
176.07872	0.8
181.04849	0.7
183.31445	0.6
187.07516	1.1
188.07903	1.4
204.08965	1.1
210.11250	1.0
218.09036	0.6
239.34981	0.5
240.03801	0.7
249.08603	0.7
264.11108	1.5
271.09335	2.2
272.10043	1.0
277.08685	0.6
292.10507	3.5
297.31604	0.6
309.10843	1.0
312.13025	0.8
324.13116	2.8
342.14124	3.0
342.19077	1.5
343.21890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.243
Annotation	Daphnilactone B
Peak:m/z	Relative Intensity
55.05505	0.5
56.05050	1.2
57.98261	0.2
62.06073	0.3
67.05505	0.5
69.07056	0.4
70.06583	0.4
70.96833	0.4
74.06085	6.0
79.05499	0.8
81.05797	0.4
81.07056	0.8
86.09720	1.6
88.07636	1.2
91.05484	0.5
92.05794	0.3
93.07054	0.8
94.06576	2.4
95.08602	1.9
96.08138	2.3
100.07637	2.1
105.07038	0.6
106.07379	0.3
107.04975	0.5
107.08616	0.3
114.09174	19.9
119.08595	0.4
122.01772	0.2
122.03677	0.5
129.07060	0.3
131.04918	0.8
132.05258	0.5
133.02837	0.3
133.06503	1.1
134.06816	0.3
134.56221	0.2
137.05984	9.5
138.06317	6.4
140.10722	0.9
141.07056	0.3
145.06497	2.8
145.10187	0.4
147.08112	1.0
149.05925	0.4
149.09604	0.5
151.07553	1.6
152.07851	1.1
155.08540	0.3
157.06461	0.9
159.08032	0.6
161.09628	0.2
163.07544	0.3
163.11224	0.4
164.07890	0.4
165.05472	0.5
166.05742	0.3
171.08049	0.4
173.09628	3.9
174.06668	0.3
175.07291	0.5
175.11252	1.5
176.07903	0.5
177.09138	0.3
178.05875	0.2
178.09506	0.5
179.26797	0.2
181.39670	0.2
183.08054	1.0
185.09636	0.5
187.07611	0.8
187.11168	0.6
188.07907	1.2
189.09148	0.6
189.12721	0.5
190.09454	1.0
194.67189	0.3
197.09633	0.7
199.11148	1.4
201.12820	0.3
211.11221	0.8
212.07837	0.5
213.12737	0.3
215.14322	6.0
217.08505	0.3
218.08954	0.7
220.08467	0.4
221.09230	0.4
232.08406	0.7
233.09190	0.2
239.06972	0.3
239.14371	1.3
240.07646	0.3
241.08151	0.6
241.15874	0.6
248.08028	0.6
249.08687	1.0
252.11081	0.3
256.06998	0.5
260.07678	0.3
264.11176	0.8
266.09140	0.3
270.08871	0.3
271.09375	1.0
272.10019	1.6
277.08157	0.4
280.10556	0.8
281.19003	0.8
282.08716	0.3
282.12054	0.3
284.10117	0.5
291.09915	0.3
292.10477	2.5
293.11163	0.3
294.08533	0.3
297.10709	0.5
309.10825	0.5
310.11545	0.4
310.15060	0.4
312.13116	0.7
324.13132	2.3
331.43326	0.2
342.14853	3.8
342.24295	100.0
343.24619	2.0
358.15955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
53.99063	0.7
55.01864	2.7
57.03429	1.5
62.29037	0.8
69.03429	1.9
69.97411	3.2
69.97739	0.8
71.97944	0.7
73.02906	2.5
79.05500	8.0
81.03418	2.5
81.07071	2.9
85.02904	3.1
91.05479	2.8
94.04196	1.7
95.04988	0.7
95.06115	0.8
97.02907	2.3
101.02403	3.6
103.05464	5.2
105.07037	59.0
107.04960	1.0
109.06517	3.5
111.00808	0.8
115.03947	0.9
115.05521	0.7
117.38673	0.8
119.01912	1.8
119.04944	4.0
121.06493	1.2
122.03656	5.7
124.05221	1.1
125.05993	1.0
131.04921	1.2
133.04906	3.1
133.06502	100.0
137.05986	87.1
138.06345	1.1
143.03465	0.8
147.04425	16.0
151.06387	0.8
151.07552	1.7
161.04474	1.0
163.03955	0.8
164.07057	1.0
165.05486	4.7
165.09128	48.4
167.07065	1.4
181.04956	0.8
181.07071	1.0
182.04985	1.4
223.08168	1.9
225.06107	1.1
231.75377	1.0
267.07166	1.9
343.13968	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	343.1542
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
53.28117	1.3
55.01871	2.4
65.03909	1.2
67.05528	1.2
69.03397	1.6
69.07088	1.3
71.41026	3.2
72.73360	1.2
73.30732	1.4
76.16405	1.4
79.05495	4.5
80.85840	1.3
81.07074	2.5
84.48379	1.3
86.58453	1.3
86.83453	1.2
89.62365	1.3
91.05489	4.1
93.07049	1.7
95.04972	3.2
95.08629	2.9
97.06551	2.0
103.05488	12.1
105.07042	12.8
107.04966	7.8
107.08582	2.4
109.06537	4.4
114.09161	2.9
115.05468	7.7
115.09553	1.7
117.07006	1.8
119.04986	1.8
121.06540	1.2
121.10150	1.5
122.03655	2.7
123.04477	2.0
123.20267	1.3
129.07051	2.1
131.04953	20.3
132.05260	1.9
133.05638	1.9
133.06523	7.9
135.08023	1.4
137.05984	35.6
138.06328	4.6
139.06561	1.5
141.07014	3.4
142.65880	1.2
146.03625	11.7
147.04376	2.5
147.07979	2.0
149.06017	3.9
151.07555	6.2
155.08614	1.6
160.05203	2.8
161.05997	100.0
161.25021	1.3
162.06831	2.7
163.07570	40.7
163.11270	2.2
164.07886	1.7
165.07028	2.6
166.07805	1.6
167.45892	1.4
169.06544	2.6
173.09612	1.8
175.07565	41.5
177.06920	2.3
178.07811	2.2
179.08585	3.4
181.06544	4.8
183.08217	2.2
187.07614	2.2
190.07791	6.2
191.08537	2.3
193.06549	1.8
194.07280	7.8
195.08014	2.8
196.08931	1.7
199.07562	3.1
201.09132	2.8
203.08636	2.1
205.06573	8.4
205.10246	8.1
207.08081	6.8
208.08914	1.8
209.06021	2.7
209.09627	3.0
211.07602	2.1
215.08652	3.1
218.07315	5.5
219.08138	3.5
219.10139	2.1
221.06113	6.9
221.09566	4.1
222.06786	9.6
222.10406	2.9
223.07613	2.5
224.08366	6.2
225.09052	2.4
231.08089	2.2
232.08961	3.2
233.06041	1.9
233.09663	16.6
234.06845	3.6
234.10318	3.0
235.07590	12.0
236.08313	4.5
237.05530	1.8
237.09175	15.8
239.07014	1.5
239.10652	4.0
241.08479	2.7
241.12627	1.5
247.07693	1.9
249.05569	2.5
249.09070	6.2
250.06281	7.6
250.09976	8.4
251.07109	4.1
251.10863	2.1
252.07802	4.6
253.08640	2.4
260.08417	1.7
261.09128	11.5
262.09857	2.9
263.07068	5.5
264.07913	3.7
265.08667	39.7
265.12180	8.0
266.09140	4.1
267.10242	11.2
269.08090	7.4
273.10291	4.0
275.10645	2.0
277.08655	3.2
278.09421	10.6
279.10129	5.5
281.08069	2.4
282.08926	4.8
283.09900	1.4
283.13492	2.6
284.10510	5.6
293.11700	30.3
294.12363	2.0
295.09656	4.3
296.10480	1.9
297.11246	21.7
297.14404	2.3
299.12778	15.6
310.11880	3.7
311.12814	68.4
312.13434	2.6
313.06995	1.8
325.14230	16.3
326.14474	1.7
343.11969	3.3
343.15427	57.5
343.24619	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	343.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39598	1.6
53.03954	3.9
55.01887	3.4
55.05506	7.5
57.07067	2.2
65.03930	3.2
65.30368	1.9
67.05502	8.8
69.03442	8.7
69.07076	11.4
71.04996	3.3
71.51936	3.8
74.06074	4.9
77.03893	2.5
79.05505	12.9
81.03425	3.0
81.07059	19.5
83.04968	2.5
83.08649	3.5
85.02914	6.4
85.06550	5.1
86.09703	3.2
91.05489	19.9
93.07046	12.1
93.64899	1.5
94.04184	2.7
94.06545	2.7
95.04990	8.5
95.05511	1.6
95.08608	15.7
96.08131	2.4
97.02907	3.6
97.06532	6.1
99.08114	2.2
103.05488	15.4
105.03401	6.6
105.07024	7.6
107.04963	12.9
107.08594	8.1
108.17009	2.1
109.06515	6.1
109.10155	6.7
111.04452	4.4
111.08128	3.6
111.11710	2.4
114.09168	13.5
115.05507	5.7
115.09552	5.0
117.03357	2.5
117.07033	10.7
119.04951	7.4
119.07702	1.6
119.08602	5.5
121.06517	10.1
121.10152	5.8
122.03662	7.4
123.04439	31.3
123.08072	4.1
123.11725	6.7
125.09634	2.4
127.03949	2.2
128.06248	2.4
129.07024	5.3
131.04935	18.6
131.05856	2.5
131.08580	3.6
132.05704	2.0
133.02863	48.9
133.06525	4.0
133.10197	3.1
135.04431	50.7
135.08072	10.5
135.11664	3.4
137.05984	52.4
137.09735	2.2
137.13269	2.1
138.06314	4.2
139.06538	4.0
143.04936	2.4
143.08592	3.5
145.06535	8.7
145.10138	3.3
147.04434	5.3
147.08063	4.7
149.05995	19.3
150.06807	10.9
151.07550	22.4
153.05521	3.8
153.12753	4.0
157.06499	4.5
158.03671	2.2
159.04407	2.7
160.05180	2.1
161.06004	32.9
161.09659	3.5
161.13257	2.8
163.03928	3.3
163.07576	11.4
163.11209	8.4
165.05525	8.1
165.06874	3.0
165.09134	3.0
167.07053	7.5
167.08313	2.1
173.06020	7.8
173.09618	3.4
174.09964	2.6
175.03932	4.3
175.07547	12.0
175.11214	3.7
177.05553	3.5
177.09120	73.6
179.07033	6.3
181.04942	4.5
181.08670	4.2
181.12253	3.5
187.07602	2.6
189.09239	10.2
191.10699	2.9
193.04991	7.3
195.08556	1.8
195.10167	10.0
201.05519	20.6
205.06557	4.5
207.10120	9.3
211.07555	2.8
213.53006	1.7
215.14293	2.1
216.14651	3.6
219.06540	8.0
219.10172	3.0
221.06009	3.0
221.09764	2.5
221.11789	6.5
222.06818	2.4
228.01910	1.9
233.06000	2.8
237.09042	2.6
244.13216	2.1
250.06364	4.8
265.08575	5.6
265.11349	1.9
267.06284	1.8
280.00604	1.8
282.08841	4.2
283.09933	2.2
285.07462	2.4
285.11157	2.0
292.07349	2.1
293.08157	4.2
293.11139	2.3
297.07870	2.6
297.11194	9.5
299.09549	3.6
299.12738	20.2
300.09918	1.9
301.19141	2.0
307.09738	3.1
307.26288	8.6
310.08493	4.3
313.07132	6.5
325.10681	21.5
325.14297	8.1
327.08594	3.8
328.09406	11.7
343.08331	2.0
343.11838	40.5
343.15433	11.6
343.24667	100.0
344.18738	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	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01875	1.3
55.05514	1.1
57.03432	3.3
57.07079	1.4
57.82091	0.8
61.02924	3.3
67.05505	1.2
69.03433	12.8
69.07063	0.9
69.28539	5.3
70.42865	0.7
71.04987	1.2
72.32600	0.8
73.02910	1.6
74.28740	0.7
79.05507	3.7
80.37191	0.7
81.03416	6.0
81.07068	9.3
83.04976	5.8
85.02914	30.1
87.04469	1.8
91.03960	3.1
91.05478	3.4
93.07046	8.5
95.04977	17.3
95.08618	1.6
97.02901	9.2
97.06554	3.4
99.04464	2.2
105.07022	7.3
107.04980	1.2
107.08612	7.7
109.02913	2.1
109.06524	1.9
116.69205	0.7
117.07028	3.4
119.08597	4.5
121.06515	4.2
121.10167	10.0
123.08080	1.9
125.06003	12.4
127.03904	5.8
129.06992	1.4
130.07822	2.8
133.06480	1.7
133.10132	0.9
135.08086	1.0
135.11736	6.9
137.05992	3.3
138.06303	1.3
143.08585	1.3
145.04968	8.2
145.10135	16.9
147.08064	1.0
151.07458	0.8
161.09628	1.0
163.11188	100.0
164.11601	1.5
164.43436	0.7
165.09158	1.5
167.07040	1.4
175.11089	1.0
181.12228	15.4
183.10161	1.0
205.12350	1.1
208.77150	0.9
223.13338	1.5
223.96043	0.7
307.15460	1.0
313.13309	1.3
325.13339	1.8
325.16818	1.0
343.13800	2.1
343.17725	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.94445	1.7
53.03947	5.0
55.01865	5.1
55.05522	17.3
57.03435	6.3
57.07074	8.0
59.05002	6.1
64.14169	1.7
65.03935	2.8
66.70723	1.9
67.05510	24.6
69.03440	10.1
69.07062	6.7
69.71663	6.1
69.72069	3.4
71.04998	22.4
79.05489	20.2
81.03414	5.0
81.07058	27.6
83.04996	5.3
83.08598	4.6
85.06547	2.7
88.38993	1.9
91.05491	30.6
93.07053	60.4
95.04979	47.0
95.08616	71.7
97.06550	15.1
98.21497	3.3
103.05458	4.2
105.07040	75.9
107.04961	3.8
107.08598	52.2
109.06525	15.1
109.10168	7.1
115.05463	5.5
116.06254	2.1
117.07036	28.1
119.08590	28.4
121.06558	12.9
121.10147	20.7
122.07318	2.0
123.08074	23.7
123.11719	2.6
128.06216	4.3
129.07027	6.6
130.07802	15.2
131.08578	9.3
133.06487	5.0
133.10130	18.7
135.08060	21.7
135.11684	12.7
137.05946	6.4
137.09648	2.8
142.07796	3.2
143.08585	12.0
145.06474	2.8
145.10138	74.6
147.08063	12.8
147.11722	9.0
149.09621	6.1
151.07552	39.9
153.09123	4.1
155.08574	3.3
155.10744	2.1
156.09383	4.6
157.10133	11.6
159.08069	5.2
159.11703	8.8
161.09634	8.3
161.13254	3.1
163.07593	5.4
163.11195	55.2
163.12570	3.8
165.09138	15.3
165.96637	1.9
169.10115	4.1
171.11710	7.5
173.09656	5.6
173.13287	4.3
175.11203	5.6
177.09155	7.4
179.07025	4.4
181.10135	3.5
183.11668	4.0
185.09583	3.0
185.13322	4.0
187.11218	7.4
187.14861	2.3
189.09087	2.4
189.12750	7.1
191.14362	3.1
195.11786	2.7
197.13315	2.2
203.14343	8.3
205.08589	10.3
207.13823	5.7
209.13431	2.6
209.15422	4.9
211.11281	2.1
215.14377	3.1
221.13348	3.7
221.15382	31.0
223.09676	16.2
225.16267	2.7
227.14400	2.4
233.15440	2.9
240.14857	2.4
240.23207	5.9
263.16455	6.4
269.12015	2.4
269.15335	3.7
272.09976	1.9
286.19290	5.4
287.16565	3.6
307.20435	2.6
325.18225	3.2
325.21640	11.1
343.11621	2.7
343.18964	20.8
343.22726	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03940	3.5
55.01866	4.6
55.05517	14.5
57.03424	7.0
57.07067	6.5
59.04992	4.4
59.76179	1.6
67.05223	1.6
67.05512	15.4
69.03428	12.0
69.07063	5.3
69.60963	10.0
71.04996	14.7
76.33746	1.6
79.05493	15.0
81.03420	2.0
81.07066	21.1
83.04993	3.3
83.08598	1.8
84.67783	1.8
85.06525	2.1
91.05479	22.0
93.07056	45.2
95.04974	41.9
95.08613	58.7
97.06544	10.4
105.07048	54.7
107.04955	3.4
107.08602	42.0
108.05756	1.9
109.06499	11.8
109.10130	3.6
111.08059	3.4
112.15027	1.8
114.98508	1.5
115.05465	3.9
117.07020	22.1
119.08590	19.1
121.06503	11.3
121.10148	13.5
123.07327	2.2
123.08087	18.6
125.05975	1.7
128.06229	2.9
129.06961	4.2
130.07811	12.4
131.08577	9.9
133.06493	5.3
133.10158	11.9
135.08076	20.8
135.11690	13.4
137.05974	5.6
137.09581	4.2
143.08585	9.0
145.06451	2.8
145.10139	58.7
147.08073	8.7
147.11691	3.0
149.09608	5.6
151.07561	35.5
153.09084	3.0
155.08548	2.2
156.09395	2.7
157.10170	9.0
157.27940	1.6
159.08044	3.4
159.11682	6.3
161.09636	9.2
161.13251	1.9
163.07574	2.5
163.11191	45.1
165.09163	12.5
167.08505	1.8
169.10136	3.0
171.11713	3.2
173.09613	4.3
173.13264	3.2
175.11212	4.7
177.09106	3.6
179.06992	3.7
181.10239	1.9
181.12177	3.6
185.09702	1.8
187.11249	4.3
189.09100	2.1
189.12845	9.0
191.14258	2.5
193.10168	1.8
201.12773	2.9
203.14337	6.5
207.13828	4.8
209.15413	3.6
215.14307	2.9
217.12155	2.2
221.15363	31.3
223.14740	3.2
225.12695	2.0
225.16422	2.5
233.15302	3.8
240.23216	3.5
241.15842	3.0
243.13907	2.8
263.16360	8.7
269.15445	2.9
286.19336	3.8
287.16602	2.0
325.13504	2.2
325.21591	11.1
328.09396	2.0
343.11612	3.9
343.22699	100.0
360.43243	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03940	5.6
55.01867	4.7
55.05519	11.4
57.03419	8.3
57.07063	7.7
59.04997	5.3
65.03926	2.8
67.05503	23.8
69.03426	11.3
69.07056	6.1
70.67593	6.0
71.04990	17.2
77.63502	2.2
79.05492	24.0
79.16800	2.2
81.03404	2.6
81.07056	30.1
83.04969	5.8
83.08622	3.1
85.06513	3.9
87.04452	2.1
91.05478	30.4
93.06494	4.1
93.07049	66.0
95.04982	54.0
95.08616	84.0
97.06548	19.8
105.07037	78.4
107.04913	4.4
107.08601	48.7
109.06528	15.2
109.10177	5.5
111.08057	2.9
111.81250	2.3
115.05435	6.8
117.07023	30.1
119.08573	27.6
121.06503	16.0
121.10148	18.3
123.08076	25.1
128.06241	6.6
129.06963	5.5
130.07797	16.0
131.08627	11.2
133.06503	7.2
133.10141	18.6
135.08046	20.9
135.11691	16.3
137.05988	6.7
137.09622	6.3
141.07060	2.3
142.07817	6.8
143.08569	10.6
145.06422	3.3
145.10132	81.4
147.08026	13.0
147.11736	5.2
149.09599	5.4
151.07559	51.1
153.09068	3.6
155.08533	3.5
156.09384	3.0
157.10120	8.4
159.08017	3.7
159.11694	10.1
161.09633	8.5
161.13293	3.6
163.11192	56.2
165.09123	17.9
169.10133	6.6
170.10883	2.6
171.11702	7.7
173.09625	3.9
173.13239	2.3
175.11214	6.1
177.09142	7.3
179.07043	5.2
181.10129	2.5
181.12317	2.5
183.11772	4.3
185.13271	2.8
187.11195	6.4
188.12021	2.7
189.12714	9.3
195.11815	3.6
197.13322	2.8
199.14857	2.8
203.14291	8.2
207.11963	2.7
207.13838	5.4
209.13356	2.5
209.15338	6.6
215.14365	3.6
221.15378	29.8
223.14841	3.0
225.16441	3.4
233.15395	6.0
237.16380	2.3
240.23241	4.8
241.15814	3.7
247.17038	2.9
254.32706	2.3
263.16437	6.5
269.15512	5.4
286.19351	5.4
287.16437	3.2
287.19672	2.3
307.20584	3.3
325.21802	12.7
343.22702	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	344.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01864	0.5
57.03427	1.0
59.05005	6.4
61.02918	1.3
69.03087	0.4
69.03432	4.1
70.06590	0.9
71.04961	0.5
71.08792	0.7
73.02926	0.5
77.06036	0.4
79.05476	0.6
81.03407	1.5
85.02908	13.2
87.04461	0.9
89.06018	2.6
91.03940	0.7
91.05485	2.6
97.02890	3.3
99.04446	0.9
99.05091	0.4
101.02390	0.6
103.07579	6.9
109.02896	0.7
109.10116	0.4
114.63389	0.3
119.04954	7.0
123.04442	1.1
123.52469	0.4
127.03901	1.9
133.08597	1.1
134.04631	6.9
137.05977	0.7
140.02762	0.4
145.05002	2.0
147.04414	44.1
148.04733	0.7
152.05717	0.7
164.07068	0.7
165.02415	2.7
165.05482	25.9
165.11237	13.0
166.05910	0.4
167.02678	0.9
180.08640	1.0
180.95265	0.3
182.04964	100.0
344.10223	32.4
367.09113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.6
55.18506	2.0
57.01468	1.9
61.71546	2.5
62.76372	2.1
64.98862	2.0
67.05504	3.2
71.52881	2.6
81.07080	2.6
85.02929	4.3
91.05476	2.4
95.04983	2.4
103.05479	26.5
104.05798	20.0
104.06300	1.9
105.06137	4.6
105.07082	3.1
107.04979	4.5
115.05479	6.7
119.04988	2.7
122.03716	4.4
122.06852	2.9
123.04453	16.2
124.04893	2.2
131.04942	45.6
131.05844	3.7
132.05273	41.1
133.05580	17.1
133.06494	3.1
134.05812	6.2
137.05991	41.3
137.06946	3.2
138.06311	26.1
139.06569	12.6
140.06836	5.4
143.04968	3.0
147.04492	2.2
148.04822	2.6
149.06038	11.9
150.06361	3.7
151.03909	3.1
152.07933	3.8
157.06531	3.5
159.04572	2.3
161.06023	6.3
163.07564	10.8
164.07945	11.7
165.05598	2.9
165.08200	6.9
166.05927	3.5
166.08449	5.0
167.05975	3.1
172.68103	2.3
173.06041	3.6
176.07864	3.6
177.05518	4.4
178.06058	2.4
179.06868	2.3
179.08499	3.7
186.06786	5.1
187.07593	10.0
189.05382	2.1
191.08632	2.9
192.08955	3.1
197.05974	3.4
204.08984	6.2
205.05031	6.4
206.09515	2.6
207.08163	4.1
211.07637	4.0
219.08089	4.7
220.08501	6.0
222.09648	2.1
225.09210	2.7
226.05933	3.1
232.08499	9.7
233.08540	5.1
234.09053	4.4
235.07687	6.6
237.09119	2.5
242.05957	3.5
243.06506	14.3
248.08006	4.2
249.08751	2.5
251.06938	2.5
251.09351	3.3
253.08786	5.2
258.08755	5.7
262.08612	3.9
263.07083	6.4
264.11081	7.1
265.08594	3.0
265.11298	4.8
266.05756	5.8
266.08951	3.2
266.11606	10.2
271.09634	10.8
279.08893	2.9
281.08109	19.5
292.10562	9.9
293.10754	3.1
294.08173	2.3
294.11081	24.6
298.11499	5.1
298.14536	3.2
299.09189	18.1
306.12192	3.3
308.12726	12.1
309.07764	7.0
324.13144	6.8
326.10455	2.9
326.13794	33.3
327.08612	13.2
344.11954	6.8
344.14871	100.0
344.25204	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	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33730	0.4
57.03440	0.7
61.02932	1.6
69.03435	3.2
69.98852	2.0
73.02901	0.7
81.03437	1.4
85.02909	16.7
91.03962	0.9
91.05489	4.0
93.97827	0.4
97.02881	3.7
98.20878	0.6
99.04410	0.5
109.02885	1.3
116.07114	0.5
119.04948	16.0
123.04466	1.9
127.03918	2.3
145.04930	3.2
147.04413	100.0
148.04779	0.9
165.05482	57.5
180.08720	1.2
182.08167	1.0
236.28975	0.4
309.09738	0.5
344.13416	1.4
358.89615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03434	2.3
57.17441	0.5
59.05009	47.6
61.02929	3.8
62.22410	0.5
62.64982	0.6
69.03440	8.4
69.19987	3.4
69.20416	2.3
70.06595	1.9
71.04992	1.1
73.02919	1.5
77.06057	2.9
79.05517	0.7
81.03418	2.8
85.02918	31.2
87.04494	1.5
89.06039	14.7
91.03973	1.4
91.05489	5.5
97.02899	7.5
99.04468	0.8
101.02380	1.1
103.07593	51.7
109.02903	2.5
109.06525	0.8
116.07108	0.7
117.09146	1.4
119.04961	18.3
120.05303	1.2
122.06029	0.8
123.04444	1.9
127.03943	5.0
133.08636	7.1
134.04651	1.6
135.04424	0.6
137.05994	2.5
138.06319	1.0
145.04973	5.8
147.04425	100.0
147.10182	0.8
148.04764	3.2
163.03932	0.8
163.06036	0.7
164.07085	4.9
165.05502	55.6
165.11249	97.7
180.08716	2.0
182.04974	24.4
182.08133	1.9
282.35287	0.7
309.09802	0.7
324.21780	0.6
344.10129	8.8
344.13812	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.6
55.01867	8.5
55.05493	14.6
55.13362	4.4
56.96567	5.6
57.03428	18.6
60.41037	4.4
60.85676	4.4
65.49686	4.5
67.05199	4.6
67.05511	52.2
69.03429	9.0
69.06729	7.1
69.07074	79.3
71.04993	37.5
71.12423	10.4
71.94685	4.4
73.02925	5.0
79.05494	44.7
81.03423	26.6
81.07058	53.5
83.04958	11.9
83.08619	11.0
85.06549	10.6
91.05512	28.9
93.07035	36.2
95.04974	35.9
95.08630	32.3
97.06548	100.0
97.10188	5.3
99.08063	9.8
105.07045	26.5
107.04938	14.6
107.08579	24.5
109.06525	28.7
109.10156	15.2
111.08073	7.7
113.06057	7.4
113.34834	4.4
115.07583	66.5
117.07012	19.5
119.08568	19.9
121.06530	9.9
121.10149	18.9
123.08010	6.7
125.09589	5.1
129.06961	8.9
131.08565	18.9
132.71709	4.8
133.10139	17.7
135.08081	8.4
135.11687	13.0
137.05974	14.9
138.06369	7.1
143.08548	6.2
145.10117	14.6
147.08026	6.6
149.13208	11.0
153.74336	4.8
157.10167	7.8
159.11697	13.8
161.09592	5.9
163.11252	4.9
173.13354	7.5
177.12712	7.5
189.12779	4.5
195.13742	7.1
207.28584	4.6
216.88057	4.7
217.15932	8.1
219.13867	5.7
223.13292	13.7
245.18956	6.4
255.17953	5.2
263.20059	5.7
273.18512	11.0
291.19467	16.2
294.11087	6.1
314.07471	8.5
326.04715	4.5
344.12167	14.6
345.09619	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99017	1.4
53.03952	3.0
55.01861	2.1
55.05500	5.8
57.03447	6.8
67.05509	22.3
69.03426	2.2
69.07075	27.6
69.72724	7.5
71.05005	9.8
73.02914	3.6
79.05497	23.8
81.03418	12.3
81.07066	18.5
83.04967	3.8
83.08613	3.1
85.06528	3.2
91.05475	13.6
93.07055	18.5
95.04975	16.7
95.08613	10.1
97.06536	100.0
97.10138	2.0
99.08090	6.1
105.07043	9.1
107.04972	2.5
107.08592	8.9
109.06515	6.3
109.10140	4.2
111.08087	2.2
113.05974	2.1
115.07576	27.5
117.07037	8.0
119.08573	4.2
121.06540	3.5
121.10123	5.5
123.08102	1.4
123.11689	1.4
128.06201	1.3
129.06961	2.8
131.08551	5.7
133.10144	6.0
135.08125	3.3
135.11682	4.3
137.05983	3.4
138.06316	3.2
143.08560	2.3
144.63417	1.3
144.66353	1.4
145.10132	4.1
147.11691	2.0
149.09648	1.7
149.13275	4.2
151.07542	3.7
151.11119	2.0
153.09045	1.5
157.10120	3.2
159.11711	6.8
171.11676	1.9
173.13206	2.3
177.12770	5.1
181.12099	1.5
190.09442	2.7
195.13809	4.8
201.12729	3.0
202.09497	2.1
213.61562	1.4
219.13745	2.2
223.13310	2.9
273.18549	3.8
291.19543	5.7
326.14575	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	345.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11625	0.5
53.59448	0.5
53.77380	0.6
55.93069	0.5
56.96307	0.6
56.96576	4.0
57.03417	0.8
57.72427	0.5
61.02894	1.1
61.40026	0.5
64.42425	0.5
65.38685	0.6
69.03394	2.0
69.88441	1.4
69.88860	1.7
73.02898	0.8
77.27756	0.6
79.05492	3.0
81.03411	1.0
85.02911	3.1
85.03319	0.6
91.05460	0.7
97.02850	1.1
98.97598	7.5
99.81007	0.6
107.08550	2.3
110.97576	1.5
114.54633	0.6
116.98575	1.7
119.01903	0.8
128.98575	0.8
131.01852	1.1
136.07556	1.1
137.05923	1.3
143.00093	1.5
143.01920	0.8
143.83282	0.6
157.03484	0.7
158.99680	3.3
161.02821	1.1
166.04959	2.4
169.05342	2.7
171.03171	0.7
172.94405	1.3
173.04558	0.6
177.00769	0.9
182.08138	2.8
183.07491	0.9
187.06374	2.1
197.04860	0.6
199.02632	0.8
199.06352	1.7
199.08080	0.7
203.02161	1.0
203.03926	1.8
216.96925	1.1
217.07512	1.0
219.01848	1.0
221.05167	3.5
225.09761	0.9
232.96346	1.1
235.08476	0.6
250.97530	0.8
260.95938	0.8
267.10062	0.7
303.11328	0.9
320.98306	0.6
327.12796	0.7
335.24805	0.7
345.12939	100.0
346.13400	1.0
363.13123	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	345.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03587	0.8
56.96551	3.8
62.95809	0.8
69.03401	1.4
70.94937	2.2
70.95319	1.1
71.03291	0.9
72.08164	4.4
80.74899	0.8
81.03400	1.0
85.02879	3.7
86.09705	1.6
95.08573	0.9
97.02868	2.0
98.97610	5.6
110.97564	1.1
116.98586	2.0
121.06486	1.6
123.08078	1.1
135.04399	1.1
136.07529	1.3
137.06029	4.4
139.07512	1.3
141.02188	1.0
143.00038	1.3
155.84622	0.9
158.99582	2.0
164.07054	2.2
169.05330	3.2
171.03380	1.1
171.14868	1.7
172.05594	1.4
182.08167	6.9
183.06450	1.3
187.06485	4.4
199.06383	2.6
205.07549	1.1
210.11172	1.3
217.03766	0.9
217.07465	1.2
239.05888	0.9
241.07469	1.5
255.07166	1.5
259.08545	1.6
273.08005	1.8
327.14017	2.7
345.12967	100.0
363.13217	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	345.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95534	1.5
69.95925	1.7
75.54472	0.6
79.05487	1.1
85.02898	0.9
102.19606	0.7
119.04757	0.8
173.32941	0.8
200.14534	0.7
257.10587	0.8
345.13068	100.0
346.13501	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32642	0.7
57.25475	0.8
59.05000	1.4
69.86951	0.8
70.53208	1.9
71.06588	0.7
79.05498	1.3
79.19212	0.7
81.03418	1.6
81.07039	1.6
91.05476	3.4
93.07056	1.3
94.04195	1.1
97.02943	0.9
103.05461	8.5
105.07043	1.0
108.05762	0.9
115.05452	1.3
117.07025	4.1
119.04914	1.5
121.06499	3.2
122.03642	2.7
123.04443	4.4
123.08048	1.9
127.03911	0.7
129.06969	0.8
131.04927	16.3
135.08038	2.3
137.05981	41.9
143.08568	1.3
145.06494	1.2
147.04468	0.9
147.08041	1.5
149.05952	1.4
149.09650	1.0
151.07542	14.0
151.08716	1.4
159.08112	0.8
161.06021	1.1
162.06783	1.8
163.07547	34.1
165.05463	1.0
167.07002	1.7
171.08130	0.8
175.07541	3.6
177.09114	100.0
189.59969	0.8
191.07040	1.1
195.10156	8.4
203.10719	1.2
221.11713	6.7
299.12820	2.4
313.10803	0.9
345.13290	1.8
359.67996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56244	0.4
55.01866	1.4
56.85589	0.4
65.03924	0.9
66.04678	0.5
67.05495	1.3
69.03436	0.6
69.07069	0.6
70.90939	0.8
70.91285	1.0
71.08816	0.4
79.05489	2.0
81.03382	0.5
81.07056	2.1
91.05499	3.0
93.03422	0.6
93.07040	1.5
94.04183	3.2
95.04963	1.4
95.08610	1.7
97.02911	0.7
103.05470	7.8
105.07053	4.4
106.04156	0.6
107.04964	1.9
107.08601	0.8
109.06527	1.4
111.04434	0.7
115.05455	2.3
117.07033	1.9
118.41301	0.5
119.04937	0.7
119.08588	0.6
121.06495	2.7
122.03656	10.0
122.04495	0.8
123.04465	1.1
123.11710	0.4
125.05981	1.3
127.04012	0.5
128.06241	0.9
129.07018	0.5
131.04941	10.9
132.38606	0.5
133.05493	0.8
133.06499	15.9
135.08052	6.3
137.05988	100.0
138.06322	0.8
143.04973	2.4
143.08575	1.1
145.06496	3.1
147.08029	1.5
149.06029	1.2
151.03926	20.8
151.05025	1.9
151.07549	5.2
153.05505	2.6
157.06544	0.7
159.04475	0.7
160.05209	1.0
161.05977	1.1
161.09682	0.5
163.07561	30.3
165.09151	0.8
171.04396	2.5
171.08141	1.3
175.07555	4.6
176.04645	1.5
177.05563	0.5
177.09122	1.1
179.08548	0.7
181.06503	0.5
187.07561	0.7
189.09097	1.7
191.07047	11.1
203.07037	4.2
203.10727	1.5
207.08168	1.1
221.08101	7.9
223.07507	0.6
224.08409	0.5
225.10228	1.7
234.50809	0.5
235.11122	0.5
237.09106	0.6
239.10745	0.9
243.06537	0.4
249.09077	0.7
252.08125	0.5
253.09846	2.5
255.06723	0.4
263.10764	1.8
265.08615	1.0
267.10141	0.7
269.08038	0.9
272.10822	0.5
285.07697	0.6
286.08432	1.2
295.09662	1.7
295.13361	2.4
297.11172	0.5
299.09830	2.1
313.10745	2.0
327.09091	4.8
327.12521	3.0
327.16043	1.2
345.10339	10.5
345.20496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51248	0.6
55.01877	1.4
65.03926	0.8
69.48650	4.2
79.05486	1.9
81.07043	0.9
89.62274	0.6
91.05471	2.4
94.04197	3.5
95.04999	0.6
95.08620	0.9
103.05463	8.9
105.07053	5.4
107.04948	1.7
109.06525	1.2
111.04443	0.7
115.05435	1.5
115.67672	0.6
117.07047	1.6
119.04963	0.8
121.06499	2.3
122.03658	10.8
125.05965	0.8
131.04941	11.6
133.06496	16.6
135.08080	8.3
137.05983	100.0
143.04987	1.4
145.06456	3.1
147.08086	1.1
149.06012	1.0
151.03929	13.9
151.05070	1.5
151.07553	5.0
153.05479	2.7
157.06487	0.7
160.05284	0.9
161.06003	0.9
163.07547	31.6
165.09134	1.0
169.06406	0.7
171.04399	1.4
171.08136	0.9
175.07558	3.8
176.04669	1.8
177.09106	1.4
187.07556	1.1
189.09157	1.7
191.07036	5.8
203.07033	2.8
203.10658	1.1
207.08078	1.1
221.08159	3.8
235.11064	1.0
245.09616	0.9
251.07024	0.8
256.07410	0.7
263.10800	1.1
267.10318	0.9
286.08289	0.8
295.09863	1.0
295.13449	2.1
299.09766	0.9
299.12939	0.8
313.10950	0.7
319.66757	0.6
327.09180	1.3
327.12283	2.4
327.15933	1.3
345.10727	3.5
345.14124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2062
Annotation	Phanginin H
Peak:m/z	Relative Intensity
55.05504	0.6
57.07038	0.4
67.05473	0.5
69.07049	1.9
69.15014	3.3
79.05455	0.4
81.06981	0.5
88.19379	0.4
91.05454	1.1
93.07064	0.4
95.08606	1.0
105.07011	0.5
107.08588	1.4
109.10113	0.4
121.06509	1.1
133.10150	0.4
135.04378	0.7
135.08031	0.5
146.07234	1.0
147.08049	0.9
158.07263	0.9
159.08070	1.5
161.09627	3.9
173.09630	3.0
175.07564	2.3
175.11084	0.4
177.09116	3.9
183.11771	0.5
185.09662	0.5
187.07593	1.2
189.09167	0.9
189.12769	0.8
199.11124	0.5
200.12085	0.7
201.09108	31.6
201.12433	0.8
202.09689	0.8
203.10814	0.4
210.10466	0.4
215.10637	0.7
215.14259	1.9
217.12239	9.7
224.12041	0.6
225.12814	0.5
227.10699	2.3
229.12247	1.8
229.15764	0.7
239.14404	1.9
241.12225	4.8
242.12947	4.5
243.11293	0.8
243.13791	14.0
256.14618	3.9
257.15359	21.0
257.18826	1.1
269.18573	0.4
272.03036	0.4
284.17526	0.5
293.99664	0.4
299.20081	4.0
303.15912	4.1
315.05063	1.6
330.07462	0.5
345.09653	3.2
345.20605	100.0
346.20731	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	346.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.01868	2.6
57.03446	5.0
61.02932	9.9
62.32249	0.9
69.03430	15.4
69.48521	6.3
71.01327	1.0
71.04978	2.1
72.08144	2.9
73.02917	4.4
79.05490	3.4
81.01323	0.8
81.03425	7.8
84.08131	0.9
85.02911	100.0
86.09708	6.2
87.04459	2.2
90.38202	0.9
91.03967	7.4
91.05471	1.1
97.02306	1.4
97.02898	27.8
99.04483	4.5
103.05476	9.4
107.04977	2.2
109.02888	7.6
115.03944	1.2
121.06512	84.1
127.03924	24.3
131.04924	3.7
139.07562	2.4
145.04970	51.3
149.06001	3.8
163.06018	15.3
167.07066	12.2
180.08664	1.9
183.11372	0.9
184.09631	1.9
188.65083	1.0
201.12296	1.8
201.72542	0.9
299.60120	1.0
346.26080	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	346.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01868	2.8
56.05029	1.8
57.03449	5.3
57.21373	1.1
61.02930	10.6
63.96430	0.9
69.03429	17.5
69.07056	3.9
69.45737	6.6
70.06585	2.9
71.04993	2.9
72.08134	1.5
73.02915	3.5
74.06067	5.3
79.05482	3.9
81.03422	7.3
84.08130	2.2
85.02908	100.0
86.09708	60.4
87.04475	2.7
91.03968	5.9
91.05482	1.6
97.02901	26.9
97.03522	1.5
99.04463	4.4
103.05466	10.8
107.04974	2.5
109.02898	9.4
116.07120	2.6
118.44732	1.1
118.45567	0.9
121.06512	82.2
126.05531	1.9
127.03926	25.0
130.08560	1.0
131.04932	3.1
137.05966	1.7
138.06369	1.1
139.07542	4.6
145.04967	42.2
147.04341	1.6
149.05975	3.9
161.05779	0.9
163.06017	13.1
164.07060	1.5
166.08618	2.2
167.07054	16.4
180.08665	1.5
183.38475	0.9
184.09746	2.6
185.07999	0.9
199.17950	1.8
203.13954	5.6
239.13885	5.5
249.09024	0.9
329.12268	1.6
346.16855	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.1
55.05512	26.8
56.96556	3.2
57.03421	7.0
59.04995	3.6
65.03927	3.4
66.25866	2.8
67.05507	78.2
69.03425	4.9
69.07078	23.6
70.07942	7.3
70.08329	5.2
71.04974	5.6
79.05499	25.1
81.03417	3.0
81.07059	54.6
83.04963	3.9
83.08616	17.5
84.96008	3.2
85.06518	4.4
91.05480	20.1
93.07048	29.7
95.04969	5.1
95.08607	31.4
97.06519	9.4
97.10191	19.3
98.97588	47.1
99.08091	3.1
105.07018	19.9
107.04967	4.5
107.08597	35.0
108.08878	2.4
109.06498	3.7
109.10159	67.1
111.08071	4.7
112.99148	12.1
116.98653	12.6
117.07022	6.9
119.08601	21.2
121.06503	3.5
121.10138	11.7
123.11732	3.8
125.09614	16.4
127.46796	2.4
131.00119	4.1
131.08551	11.3
133.10156	17.7
135.08032	2.8
135.11650	5.8
137.05969	17.3
137.09618	4.9
138.06265	5.3
144.98077	2.5
145.10133	10.8
147.11679	6.3
149.01283	2.5
149.09624	7.7
149.13266	6.4
153.09146	2.8
155.10652	28.8
157.10107	3.2
158.99652	18.0
159.11668	11.1
161.13257	3.8
163.11154	3.5
173.01221	17.9
173.11748	100.0
173.13147	3.7
177.00647	10.1
177.12747	2.7
184.97563	3.8
189.11238	20.5
191.02306	9.8
195.13806	26.3
201.00742	4.2
202.98743	3.1
213.14810	11.0
219.01743	4.5
244.99730	15.8
257.19022	8.4
263.00891	3.8
275.20041	55.8
285.10309	2.3
293.21072	15.5
314.10843	2.7
346.13623	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	346.2742
Annotation	Himbacine
Peak:m/z	Relative Intensity
55.05497	0.4
55.52515	0.3
59.77341	0.3
67.05489	1.4
69.07069	2.7
70.04393	1.1
70.04802	0.6
71.04993	5.4
81.07064	2.5
83.08607	0.5
88.61446	0.4
93.05729	0.3
93.07040	0.5
94.06554	1.3
95.08611	5.9
98.97593	3.7
108.08106	1.5
109.10162	0.4
110.09686	1.8
112.99129	0.8
113.42493	0.3
115.07570	14.6
116.98584	1.0
118.03513	0.3
120.08080	2.6
122.06039	3.5
124.07597	0.9
131.00180	0.4
136.07578	3.2
137.08328	1.0
138.09143	19.1
144.08003	0.3
148.98557	0.3
150.09224	0.5
151.14738	0.4
152.10695	1.1
153.39410	0.4
158.99625	0.8
165.12668	0.4
165.13977	0.4
173.01212	1.1
175.85005	0.4
177.00722	0.5
178.12225	0.5
180.13834	11.3
184.97594	0.5
190.29533	0.3
196.13373	1.7
208.13327	99.7
209.13637	1.1
222.14888	3.2
244.99701	0.9
260.20117	0.6
328.26443	0.4
346.27399	100.0
347.27795	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27344	2.6
53.03939	4.6
55.01876	4.3
65.03953	3.4
67.05497	15.3
69.03416	4.0
70.06574	5.1
70.07185	11.8
71.01349	4.4
72.08162	4.3
79.05490	14.7
79.26561	2.4
81.03406	5.1
81.07046	13.0
83.04975	5.3
84.08125	3.9
85.02905	8.0
86.09712	6.3
91.05489	41.8
93.07037	33.2
95.04969	9.9
95.08566	2.9
97.06535	3.2
98.97605	3.0
103.05474	8.6
107.04987	3.1
107.08577	3.1
109.02878	5.5
109.06519	11.5
110.91964	2.8
119.04948	40.7
121.06520	32.2
123.04439	9.3
127.03909	6.6
135.04459	3.4
137.05977	49.6
139.07532	10.5
143.03404	4.7
147.04428	35.2
149.06015	17.8
151.07603	3.6
163.03879	13.6
164.07152	3.4
165.05501	20.2
167.07057	32.7
175.03976	3.7
184.13596	3.1
185.08200	4.5
193.04973	100.0
193.08698	3.0
193.65755	2.8
210.42258	2.5
211.06032	82.2
251.49673	2.5
258.08691	2.8
272.10208	3.7
300.58908	3.2
347.12518	6.6
347.16565	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1701
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
55.05515	1.9
57.03431	5.9
57.07063	2.8
61.93168	1.8
67.05497	7.0
69.03432	6.2
69.07056	5.9
71.04976	1.7
79.05502	8.3
81.07062	67.5
83.04992	3.9
85.02893	4.5
85.06544	13.4
91.05447	2.0
93.07045	15.8
95.08603	9.4
97.06515	4.1
102.30730	1.5
105.07043	2.4
107.04954	1.6
107.08595	5.1
109.10146	4.4
111.11771	1.6
112.87442	1.6
121.10149	21.7
123.10863	1.9
123.11716	30.8
125.05980	4.8
129.18568	1.8
136.58580	1.6
137.05971	6.7
139.11201	16.2
149.09633	2.1
167.10687	100.0
173.61320	1.6
185.11739	52.7
237.69412	1.6
274.58356	1.8
285.65643	2.2
302.19217	1.8
347.15134	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1701
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
53.03940	1.8
55.05512	11.3
57.03420	1.9
57.07073	5.2
59.05021	1.0
61.02920	1.3
63.26895	0.9
67.05508	7.5
69.03436	4.8
69.07050	2.7
70.06585	1.2
70.66470	2.8
71.04966	3.3
78.04662	0.8
79.05477	7.8
81.03416	5.0
81.07056	38.2
83.04987	16.9
85.02898	9.3
85.06542	89.0
86.09689	1.7
91.05482	1.7
93.06485	1.9
93.07042	20.0
95.04927	1.4
95.08596	8.1
95.12807	1.0
97.02876	3.9
97.06540	6.4
97.10165	1.0
99.04455	2.0
102.05509	0.8
103.07555	3.9
105.07012	2.3
107.04966	1.4
107.08591	1.9
109.02860	1.8
109.10160	9.8
121.09332	1.9
121.10146	22.3
123.08067	4.6
123.11691	9.6
125.05978	3.3
127.03905	2.8
131.08597	1.3
137.05931	1.6
137.09621	1.9
139.11176	13.2
149.09586	5.7
149.13257	1.4
155.10727	1.1
167.07011	1.6
167.10681	25.4
169.12132	1.2
173.23795	0.9
185.11732	100.0
185.15204	2.4
187.14386	1.2
196.89912	0.9
199.54576	0.9
227.09169	2.9
245.10213	6.6
294.86456	1.0
304.96091	1.0
329.15848	1.5
347.17062	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	347.1701
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
53.03959	0.7
55.05514	10.3
56.26274	0.7
57.03445	1.2
57.07069	3.2
60.76866	0.6
61.02932	0.8
63.78465	0.7
67.05512	3.9
69.03442	4.5
69.07073	1.4
70.54466	0.7
71.05000	3.0
71.51379	0.8
79.05511	1.7
81.03428	2.7
81.07054	1.5
83.04993	15.6
85.02909	4.7
85.06551	100.0
91.05491	2.4
92.29489	0.6
93.07062	4.5
95.06680	0.8
95.08611	2.5
97.02906	3.2
97.06539	7.2
99.04468	1.4
103.07596	5.7
103.33414	1.0
105.07049	1.7
106.46529	0.8
107.08582	0.9
109.02881	2.5
109.10163	3.9
120.02914	0.8
121.06496	1.2
121.10152	2.6
123.08109	2.7
127.03946	3.1
131.08580	1.6
137.06021	2.4
137.09665	1.3
138.06290	0.6
139.11212	4.9
149.06001	0.7
149.09637	3.4
152.04263	0.8
163.97166	0.7
165.98434	0.8
167.07076	2.2
167.10690	17.8
227.09209	2.7
245.10225	5.0
247.26843	0.8
260.77344	0.7
312.96393	0.7
347.17072	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	347.1702
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
53.03950	0.8
55.05511	10.1
57.03430	0.9
57.07083	3.6
67.05513	5.0
69.03435	3.3
69.07063	1.9
71.04987	2.7
71.48322	0.9
72.08167	0.7
79.05505	2.0
81.03411	3.7
81.07056	1.6
83.04987	17.5
85.02892	3.9
85.06546	100.0
91.05489	2.6
92.93579	0.7
93.07059	3.6
95.05010	0.8
95.08614	2.8
97.02906	2.4
97.06532	8.5
99.04456	1.3
101.05996	1.0
103.05521	0.6
103.07592	4.3
105.07043	1.2
107.08614	1.3
109.02887	2.0
109.10173	4.6
114.32825	0.6
119.08639	0.8
121.06510	1.1
121.10146	4.2
123.08070	3.5
127.03922	3.3
131.08505	0.9
137.05986	1.9
137.09581	1.4
138.06314	1.3
139.11197	6.2
145.04994	0.9
149.06035	0.8
149.09644	4.9
151.03900	0.8
153.07083	0.8
164.07117	0.9
167.07048	2.3
167.10683	19.0
227.09186	2.3
245.10168	4.9
280.50958	0.8
317.13736	0.9
329.07681	1.2
329.16330	1.0
347.16925	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	348.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47681	3.7
55.01862	5.6
55.05515	35.7
57.03433	8.1
67.05511	85.6
67.53744	3.2
69.07078	22.1
69.78029	3.1
71.04991	8.0
71.08639	19.6
71.52087	5.7
79.05500	38.3
81.03426	6.4
81.07064	80.8
83.04971	10.7
83.08626	35.9
85.06530	5.4
86.70524	3.2
91.05492	28.7
93.07051	60.0
95.04986	8.5
95.08609	35.6
97.06541	16.9
97.10177	29.9
99.08112	16.5
105.07014	16.5
106.07359	3.8
107.08608	34.2
109.06535	5.6
109.10162	40.9
111.08085	12.5
117.07027	9.8
119.08587	15.1
121.06501	3.8
121.10171	17.9
123.08085	3.2
123.11707	6.7
125.09634	20.5
131.08559	12.4
131.23969	3.8
133.10135	20.4
135.08020	3.5
135.11705	20.0
137.06052	5.0
147.11710	5.4
149.13275	39.7
151.11162	12.9
151.14796	4.6
155.10661	14.4
159.11649	17.7
161.13243	9.1
163.11151	9.1
165.12724	7.1
173.11757	60.4
177.12750	15.7
179.14285	11.8
189.11215	21.3
195.13829	100.0
209.13707	4.3
213.14857	57.5
234.12016	4.2
259.20636	12.0
277.21634	58.3
290.08939	4.9
295.22705	27.2
312.17017	4.8
316.10526	5.5
330.17667	9.1
348.13132	21.6
348.18710	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51565	2.5
53.03950	20.3
55.01870	18.6
55.05518	24.9
57.03448	21.8
59.33061	3.0
61.02956	3.0
65.03924	5.1
67.05511	86.0
69.03413	4.9
69.07076	81.1
69.90039	3.4
69.90346	13.9
71.05012	3.1
77.03929	4.1
79.05502	71.9
81.03415	38.4
81.07067	98.8
82.93225	3.2
83.04998	15.4
83.08629	14.3
91.05492	90.9
93.06497	4.0
93.07059	73.0
95.01345	24.9
95.04990	25.9
95.08619	69.9
97.06540	26.5
97.10159	7.5
99.07993	2.6
105.07037	100.0
107.04967	53.2
107.08612	35.7
109.06519	9.2
109.10188	14.3
111.04436	3.9
111.08093	5.7
117.07033	30.7
119.08595	59.9
121.06500	10.8
121.10141	16.4
123.04438	5.5
123.08083	11.7
125.09624	4.0
129.07036	3.8
131.04907	4.4
131.08575	36.3
133.10141	72.0
135.08052	8.8
135.11708	21.9
137.05952	4.0
137.09593	7.6
139.07556	5.6
141.06915	4.3
143.08575	10.6
145.06522	6.4
145.10155	29.9
147.11699	27.2
149.09578	10.3
149.13281	14.6
155.08485	3.7
157.10104	6.3
159.08028	3.8
159.11699	28.3
161.13289	12.0
163.11191	7.9
163.14766	3.2
169.10092	5.3
171.11723	4.5
173.13290	8.5
177.12764	12.9
179.14333	36.7
183.11763	4.5
187.11166	8.5
195.13834	3.7
197.13277	3.5
205.12299	4.1
207.48109	3.2
219.17470	4.7
225.11940	3.0
229.19453	3.5
239.17937	4.4
241.14336	4.2
247.20526	5.4
257.19040	11.8
275.20093	97.2
301.20117	3.3
349.23767	95.6
349.27609	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01858	13.0
55.05515	52.9
57.03430	13.7
57.07067	3.4
67.05186	4.1
67.05511	60.7
69.03423	5.7
69.07071	20.8
69.35844	18.9
69.36256	7.6
71.04977	4.5
77.35287	3.0
79.05499	100.0
81.03417	4.2
81.07063	56.3
83.04992	30.3
83.08618	16.9
85.06566	3.8
91.05480	44.1
92.44315	3.0
93.07047	59.9
95.01359	3.4
95.04972	8.9
95.08611	26.2
97.06531	5.8
97.10171	15.4
105.07037	45.7
107.04961	29.6
107.08601	62.0
109.06552	5.0
109.10162	18.0
111.08102	5.4
117.06997	12.0
119.08577	29.0
121.10116	27.7
123.08067	6.5
123.11701	4.6
125.09666	18.5
129.06969	3.7
131.08574	17.9
133.10158	25.7
135.08009	8.0
135.11655	11.9
145.10161	15.6
147.11691	15.6
149.08556	5.2
149.09622	49.6
149.13301	5.7
157.10080	5.4
159.11703	12.8
161.13248	6.8
163.14786	7.2
168.75409	3.3
171.11690	5.0
173.13248	4.9
177.12756	3.8
189.11212	10.6
209.15300	6.7
229.19548	6.2
239.17776	3.2
247.20520	4.2
257.19055	9.5
267.66479	3.3
275.20059	56.5
348.82028	3.4
349.13211	7.5
349.19833	6.1
349.23758	66.5
350.23483	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	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05517	5.9
57.03429	1.2
57.07082	1.4
57.21000	0.7
67.05513	5.6
68.50318	0.8
69.07072	10.6
70.43883	2.4
71.05000	1.6
79.05493	5.4
81.07063	9.6
83.04977	0.9
83.08616	3.5
85.06548	0.9
90.07871	0.7
91.05468	2.9
93.07050	6.7
95.08614	7.9
97.06518	2.5
97.10155	1.4
98.20712	0.7
105.07037	3.7
107.08612	7.0
109.06540	8.3
109.10154	3.9
111.08092	1.6
119.08592	5.0
121.10153	4.1
123.08075	62.1
123.11696	1.6
131.08577	1.1
133.10126	3.5
135.08093	4.3
135.11671	1.5
137.09607	3.0
145.10112	1.7
147.11691	2.7
149.09596	1.3
149.13300	2.5
149.60689	0.8
158.54790	0.7
159.11844	0.9
161.13229	1.1
165.12671	0.9
167.14297	0.9
175.14822	0.9
179.14343	6.5
275.20123	4.0
289.25189	1.3
293.21161	13.5
307.22696	1.2
331.26328	2.3
349.27408	100.0
350.27744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
56.96548	1.4
57.03426	1.4
58.06599	1.1
61.02938	1.5
65.03933	3.9
68.99788	1.8
69.03436	7.2
69.19080	1.0
70.06578	2.9
70.84916	2.7
72.08161	1.6
73.02939	1.4
81.03419	2.9
82.22900	1.2
83.04980	3.6
84.08157	2.1
85.02916	19.1
91.03922	1.4
91.05486	1.2
93.03397	3.0
93.07063	1.4
97.02896	5.3
98.06068	1.5
98.97594	2.2
99.04444	1.5
106.61230	1.1
107.04975	2.7
109.06505	2.4
110.05929	1.0
111.04451	24.1
121.04004	2.5
121.06489	2.4
123.08083	1.1
127.03883	3.3
137.05978	3.8
139.03914	66.5
145.04961	2.4
147.04424	1.8
148.19850	1.3
153.05492	3.0
153.06609	2.3
156.04184	2.2
163.03914	1.2
164.04230	1.3
164.07079	3.9
165.05486	3.7
166.05890	1.5
170.08131	3.2
171.06541	100.0
177.05452	1.4
180.08650	1.8
188.03720	5.3
188.09229	4.0
200.07925	1.9
209.84183	1.1
246.08412	1.5
285.02789	1.3
350.09082	2.1
350.15973	4.4
351.15488	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56254	1.3
53.03939	4.0
55.05505	4.7
57.07087	1.9
67.05516	2.4
69.03447	2.1
69.07073	6.8
70.17086	2.0
70.17468	1.9
71.05007	1.2
75.40651	1.3
79.05505	9.0
81.07060	19.9
85.02908	11.6
86.09722	4.8
88.73220	1.4
91.05479	15.9
93.07046	98.0
95.04955	1.9
95.08617	9.2
97.02923	1.7
97.06535	5.6
98.21504	2.0
105.07034	4.9
107.08598	64.4
109.02861	1.4
109.06560	1.4
109.10179	7.1
119.06085	2.1
119.08546	1.2
120.08081	3.1
127.03935	2.2
135.11693	100.0
137.13260	11.7
145.04944	2.3
153.12749	7.5
157.13385	3.1
171.13766	3.6
206.55174	1.4
298.38715	1.3
374.86591	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.05504	6.6
57.07075	1.9
61.02914	1.3
67.05488	4.6
69.03419	4.1
69.07063	6.0
70.17909	4.6
71.04988	1.1
79.05505	9.0
81.03419	1.7
81.06600	1.2
81.07061	19.0
85.02913	11.6
85.06564	1.5
86.09689	4.5
91.05483	14.9
93.07048	100.0
95.04964	3.1
95.08601	9.9
97.02893	2.4
97.06535	6.7
105.07020	4.8
107.08601	59.1
109.02853	1.9
109.10167	5.7
111.36140	1.0
119.05989	1.3
119.08557	3.4
127.03930	2.9
135.11700	93.2
137.13255	11.1
145.04961	2.8
153.12764	11.0
157.13379	2.4
171.13753	4.3
186.67737	1.2
218.39525	1.2
294.83627	1.0
355.23538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91219	3.2
54.99122	3.3
55.05500	8.0
67.05511	6.3
69.03419	4.6
69.07043	3.3
71.35652	5.5
79.05502	19.4
81.07059	10.2
85.02911	13.6
91.05495	15.8
93.07059	89.7
95.08629	28.1
97.06507	6.1
105.07057	4.9
107.08615	100.0
109.10152	7.2
118.71414	2.9
127.03925	4.1
128.39117	3.3
135.11703	72.3
140.74663	3.3
145.04918	4.3
153.12762	13.5
195.73584	3.5
202.82539	3.5
262.41241	4.0
263.46564	3.6
273.85629	3.3
326.13171	3.6
348.15424	3.8
351.13388	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	351.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.8
69.03422	9.8
69.30576	22.2
69.30942	2.3
73.02927	4.9
76.79668	2.4
79.05513	4.3
81.03457	2.9
81.07047	3.4
85.02917	22.7
87.04494	3.2
91.05495	3.7
97.02896	11.8
98.97587	17.2
101.00854	3.3
107.08594	3.0
110.97524	4.5
117.53057	3.0
121.06467	6.6
124.99097	2.8
127.03905	10.1
128.98688	3.3
137.06006	18.9
138.06259	6.0
143.01910	4.6
144.02037	3.9
145.04988	3.8
155.01915	4.3
158.99649	7.7
161.02939	3.5
169.03493	3.8
170.99673	4.5
171.05064	3.6
171.21895	2.8
172.05760	3.4
180.05385	5.8
183.05049	4.1
189.05992	11.4
191.03880	4.0
203.04079	3.8
218.36867	2.4
245.04935	5.0
251.57878	5.0
260.58347	3.8
261.08209	16.8
261.58331	4.0
270.08588	12.9
271.09369	4.3
279.04172	3.3
279.07004	2.7
291.04111	3.0
291.09317	6.4
316.02557	2.8
351.06888	100.0
351.11765	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	351.134
Annotation	tetraborylporphyrin
Peak:m/z	Relative Intensity
52.51963	0.3
69.50574	1.4
69.51003	1.1
79.39092	0.4
91.05486	0.8
98.20755	0.5
105.30848	0.3
107.45393	0.4
115.05467	1.8
117.07023	1.6
118.06546	32.0
119.07343	3.0
130.06465	0.4
142.06523	2.1
143.07320	2.6
144.04448	0.6
144.08092	15.2
146.06012	59.4
147.06345	0.7
160.07581	1.2
164.07069	100.0
165.07306	0.6
170.06041	5.1
188.07069	53.1
204.06599	0.8
222.07594	1.8
267.97690	0.4
310.89264	0.4
351.13403	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44375	2.0
50.67786	2.4
55.05506	4.2
57.03437	2.8
58.97065	2.2
59.57154	2.1
67.05505	10.5
69.03423	6.6
69.07075	12.2
70.06589	2.4
71.51314	4.1
79.05477	7.3
81.03399	4.0
81.07061	11.4
83.08611	4.2
84.67994	2.5
85.02919	13.1
86.09747	2.9
91.05473	7.7
93.07056	40.4
95.04957	2.6
95.08614	87.6
97.02881	4.2
100.66178	2.5
105.01886	5.1
107.08603	55.7
109.02923	3.2
109.10172	7.9
110.06023	2.9
118.06544	23.7
123.11667	3.5
127.03912	4.6
135.11699	44.4
138.05502	5.4
143.07335	2.3
144.08084	10.7
145.04965	6.9
146.06010	33.7
147.04449	4.1
152.07048	6.4
153.09021	2.5
153.12756	100.0
164.05699	4.2
164.07074	72.5
170.06047	4.7
171.13791	18.3
180.06578	20.3
188.07097	30.4
198.07629	14.6
297.19177	2.9
310.46118	2.5
351.13309	15.9
351.19220	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	351.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01862	1.6
55.05510	2.5
61.02929	1.9
67.05514	10.9
69.03423	4.1
69.07079	8.5
69.09284	1.5
70.82808	3.4
70.83145	2.4
71.04996	2.7
79.05508	4.5
81.07049	8.1
85.02909	9.5
85.06526	2.2
89.45426	1.8
91.05479	5.4
93.07055	41.2
95.08615	91.7
107.08605	51.6
109.02907	1.8
109.10143	9.9
123.11715	3.0
125.13312	1.9
135.11703	45.6
147.04369	1.6
153.12758	100.0
171.13849	17.1
177.91045	1.7
188.32317	1.8
189.14879	7.3
194.91861	1.6
199.32918	1.6
288.80927	1.8
302.10559	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03931	4.7
55.01849	1.6
55.05316	1.6
55.05513	17.5
57.03424	6.7
57.07071	4.4
59.05013	1.5
65.03939	2.7
67.05505	45.2
68.56283	1.7
69.03429	1.9
69.07071	15.1
69.19958	2.7
69.20362	14.4
71.04982	2.7
71.08609	2.1
74.41801	1.5
75.04458	2.6
79.05495	59.6
81.06594	3.4
81.07059	61.6
82.49636	1.4
83.04956	3.2
83.08608	8.6
85.06534	6.0
88.12666	1.4
88.99316	1.6
91.05478	45.3
93.07046	82.7
95.04970	4.0
95.08611	36.9
97.06525	5.2
97.10184	4.2
99.08091	3.5
103.05457	4.0
105.07035	50.3
107.04964	2.8
107.08599	46.3
109.06491	2.2
109.10155	18.0
115.05443	3.2
117.07005	12.9
119.08586	53.4
121.06513	2.1
121.10146	42.6
123.08047	3.3
123.11686	4.1
126.28384	2.0
127.33328	1.6
129.06998	10.9
131.04935	7.0
131.08553	20.5
133.10127	44.6
135.08061	2.9
135.11691	42.7
137.05997	6.3
137.09663	2.3
139.11182	2.1
143.08548	10.1
145.06487	3.6
145.10123	20.4
146.07220	2.3
147.11682	44.7
149.09618	2.7
149.13264	23.5
151.11240	3.0
157.10136	8.0
159.11693	18.9
160.05144	3.2
161.09579	3.3
161.13258	36.5
163.07545	7.4
163.11176	2.4
163.14828	7.2
171.11693	14.1
173.13261	10.7
175.07574	12.7
175.11172	2.4
175.14796	17.5
177.09131	2.7
177.12637	2.7
179.14268	2.1
185.13261	14.0
187.14870	3.7
189.09114	17.5
189.12712	3.8
189.16447	2.3
191.14333	2.0
199.14844	6.6
203.14235	4.2
203.17847	2.1
213.09090	2.1
213.16348	6.1
217.19508	7.0
227.10718	2.9
231.17445	2.5
231.21037	12.0
241.17265	3.0
241.19543	39.2
259.20575	99.0
260.21060	2.4
277.21585	17.9
305.11771	2.0
319.13184	1.8
320.13962	2.6
333.24121	13.6
351.12225	4.4
351.15952	19.1
351.25299	100.0
352.25543	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.7
53.67793	2.1
54.86251	2.3
55.05503	21.1
57.03421	7.5
57.07067	4.8
67.05511	48.1
69.07076	17.6
71.03075	5.3
71.04993	4.2
71.08615	7.0
72.68119	2.4
73.85912	2.3
75.83758	2.4
79.05077	3.7
79.05501	53.8
81.07057	49.8
83.04977	3.3
83.08604	8.3
85.06550	4.1
91.05488	53.5
93.07046	69.2
93.36868	2.3
95.04991	6.5
95.08618	34.6
97.06501	2.7
99.08130	7.2
105.04417	2.6
105.07042	59.8
107.08606	48.6
109.06535	2.6
109.10170	15.2
111.08090	3.1
117.07049	13.5
119.08587	54.1
121.10147	35.3
123.11691	4.5
125.09649	3.0
129.07001	12.4
131.08597	19.5
133.10132	41.5
135.11688	32.4
135.12610	4.4
143.08574	8.6
145.10132	23.5
147.11710	48.7
149.09702	2.9
149.13269	20.2
151.11177	6.8
157.10155	10.9
159.11707	21.8
161.09619	3.1
161.13280	33.9
163.11203	2.7
163.14822	8.0
165.12671	3.3
168.95833	2.4
171.11699	12.9
173.13307	8.4
175.11163	3.6
175.14832	22.2
177.12796	4.4
179.14362	4.0
185.13290	15.3
199.14862	9.0
203.14259	2.7
213.16476	4.6
217.19568	2.9
220.22183	3.2
231.17555	2.9
231.21072	10.9
241.19513	31.8
259.20599	100.0
268.22595	3.2
277.21683	10.3
333.24164	3.1
351.25348	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01866	2.8
55.05519	16.8
57.03195	1.5
57.03444	14.5
57.07067	3.6
65.03941	2.2
67.05509	50.7
69.03431	1.6
69.07073	17.7
71.04983	2.9
71.08637	52.7
71.52560	1.1
79.05495	40.2
81.03419	7.0
81.07065	53.8
83.04990	12.1
83.08631	8.4
85.06544	2.7
87.04467	1.1
91.05487	28.3
93.07051	53.7
95.04978	10.5
95.08615	36.6
97.06535	8.5
97.10168	4.0
99.08099	32.0
105.07041	21.9
107.04983	7.1
107.08600	29.5
109.06503	3.4
109.10168	18.2
111.08081	2.8
113.09637	3.5
114.67460	1.0
117.07011	3.8
118.60001	0.9
119.08599	17.0
121.06478	2.2
121.09334	1.8
121.10153	26.4
123.08086	2.4
123.11712	3.0
125.09650	1.6
127.11197	2.0
129.07010	2.9
131.08569	6.3
133.10139	14.9
135.08076	1.1
135.11703	33.5
137.09621	3.0
141.09111	4.7
143.08568	3.0
145.10123	6.7
147.11720	6.5
149.09619	1.4
149.13260	10.8
151.11191	20.4
153.12759	1.8
157.10132	2.1
159.11661	8.2
161.09694	1.0
161.13280	12.0
163.11153	8.0
163.14844	3.0
165.12790	2.3
166.19116	0.9
167.10721	2.1
171.11708	3.7
173.13275	2.7
175.14862	2.9
177.12791	4.1
179.14322	100.0
180.14589	1.0
181.12302	1.1
185.13257	2.8
187.14870	1.8
189.12759	2.2
195.13844	1.9
199.14798	2.5
221.15347	4.3
222.02332	1.1
235.16844	5.5
241.19385	2.3
259.20563	8.0
277.21658	46.6
282.73047	0.9
332.85687	1.0
351.25330	56.7
351.30264	3.7
352.25623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01858	2.4
55.05512	19.0
57.03442	9.0
57.07076	5.3
65.03930	2.4
67.05507	53.6
69.03421	1.1
69.07072	16.5
69.36967	0.9
71.04980	4.0
71.08626	5.7
74.05406	0.9
75.04462	3.0
79.05495	68.3
81.03396	2.5
81.07058	58.9
82.07364	1.4
83.04994	3.4
83.08613	8.7
83.96153	1.1
85.06553	5.0
91.04909	2.4
91.05484	50.2
93.07047	96.1
95.04955	5.5
95.08609	45.3
97.06546	5.0
97.10172	4.1
99.08103	7.2
105.07037	59.5
107.04932	1.9
107.08595	59.6
108.09018	1.0
109.06509	3.8
109.10153	16.9
111.08110	2.8
113.09615	2.0
117.07018	12.2
119.08586	50.8
120.08862	1.3
120.35950	1.0
121.06486	1.4
121.10153	40.0
123.08074	3.0
123.11693	6.5
125.09641	2.8
128.06229	2.4
129.06999	8.5
131.08577	19.6
131.32333	1.0
133.10133	48.5
135.08063	2.8
135.11697	47.9
135.12727	2.5
137.09621	2.5
142.07826	1.4
143.08583	10.9
145.10130	21.6
147.08044	2.1
147.11696	48.0
149.09619	3.9
149.13258	26.7
151.11171	5.2
157.10121	11.6
159.11700	19.7
160.12024	1.1
161.09668	1.9
161.13263	36.6
161.14633	1.8
163.11180	4.4
163.14804	10.1
165.12785	2.0
171.11688	13.7
173.13231	10.3
175.11195	3.9
175.14841	21.4
177.12733	3.3
179.14354	8.2
181.12334	1.2
184.12308	1.1
185.13266	13.0
187.14862	3.5
187.59323	1.0
189.12755	3.4
189.16457	2.5
191.14276	1.9
193.15918	1.1
197.13342	1.0
199.14821	7.3
201.16405	1.6
203.14290	2.2
207.13907	1.4
213.16336	5.3
214.27315	1.1
215.17918	2.0
217.15901	2.5
217.19485	6.6
221.15399	1.9
231.17404	3.9
231.21106	8.9
235.16936	2.3
241.19528	34.8
259.20584	100.0
260.20929	1.8
277.21646	22.4
319.60159	1.0
333.24176	11.8
351.25320	96.4
352.25562	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01860	8.4
55.05271	3.0
55.05513	36.4
56.51871	1.9
57.03447	18.2
57.07067	6.1
65.03949	2.3
67.05508	76.7
69.03424	3.3
69.07068	30.7
71.04977	3.2
71.08634	51.2
71.25809	1.8
71.52682	3.1
79.05070	3.2
79.05495	46.4
81.03432	9.2
81.07063	71.9
83.03387	1.9
83.04990	10.1
83.08626	13.7
85.06528	3.7
91.05489	37.7
93.07050	62.8
95.04983	12.1
95.07985	2.7
95.08607	48.0
97.06557	9.5
97.10182	10.9
99.07500	2.9
99.08099	43.7
105.03371	2.1
105.07032	42.0
105.48087	1.8
107.04952	3.7
107.08593	37.7
109.06554	9.1
109.10164	23.2
111.08073	8.2
117.07049	6.8
119.08578	30.1
121.06522	2.9
121.10146	20.2
123.08012	4.3
123.11739	6.4
125.09637	8.7
129.07008	5.7
131.08554	7.4
133.10143	18.4
135.11713	17.2
136.67133	2.2
137.09628	3.9
137.13327	3.0
142.07802	2.7
143.08563	8.2
145.10132	14.0
147.11696	19.4
149.09625	2.4
149.13275	11.9
151.11200	28.2
153.09200	2.5
153.12749	2.7
157.10100	5.6
159.11684	5.1
161.09596	3.1
161.13272	23.0
163.11188	17.7
163.14850	8.1
165.12817	4.4
168.79611	1.9
169.10130	3.0
169.12253	2.1
171.11693	9.0
173.13254	6.9
175.11177	3.1
175.14778	10.0
177.12790	3.5
179.14336	15.3
185.13237	7.7
187.14857	4.6
189.11214	2.9
189.12740	2.6
193.12263	2.5
199.14842	4.3
203.14137	2.0
217.19521	3.3
231.21088	3.7
235.17162	2.1
241.19514	12.3
249.22021	2.5
259.20587	23.2
277.21646	61.5
296.13165	1.8
351.25342	100.0
352.25491	2.1
359.19040	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.1
53.03938	5.1
55.05517	16.6
55.28103	1.2
57.03442	9.0
57.07065	3.3
65.03935	2.6
67.05511	47.2
68.66241	1.2
69.07072	16.0
69.43102	8.9
70.90034	1.2
71.04989	4.4
79.05498	74.8
81.07062	55.5
83.04957	1.9
83.08600	7.6
84.10694	1.0
85.06540	4.1
87.94545	1.2
90.37461	1.2
91.05488	53.8
93.07050	100.0
94.94334	1.2
94.94972	1.1
95.04990	5.7
95.08617	41.0
95.13860	1.2
97.06525	4.0
97.10166	2.5
99.08103	4.3
105.07038	58.1
107.04993	1.3
107.08602	60.6
109.06520	3.8
109.10166	14.7
111.08054	1.4
113.09619	3.0
117.07031	13.0
119.08595	51.3
121.06505	1.7
121.10155	43.7
123.08089	2.6
123.11700	4.0
125.09642	2.0
127.11121	1.2
128.06290	1.3
129.06995	8.0
131.08586	21.5
133.10147	49.3
135.08076	3.3
135.11705	44.7
137.09622	2.4
137.13318	1.3
142.07735	1.1
143.08582	10.4
145.10139	22.7
147.08144	1.4
147.10516	2.8
147.11694	49.0
149.09654	4.2
149.13283	28.4
151.11212	1.3
157.10147	11.3
159.11696	17.9
159.12888	1.7
161.09651	1.5
161.13264	34.2
163.11192	3.4
163.14804	8.9
163.26782	1.3
171.11700	15.1
173.13280	13.4
175.11206	2.6
175.14833	16.5
177.12781	4.5
179.14297	1.2
185.13239	12.7
187.14778	3.2
189.12718	3.0
189.16510	1.4
191.14362	1.7
199.14880	9.0
201.16423	1.4
203.14276	3.1
213.16391	5.8
217.16029	1.8
217.19504	3.8
221.15277	1.5
231.17624	2.8
231.21054	7.8
235.17085	1.3
241.19539	38.8
259.20596	94.2
260.20764	1.4
261.22055	1.9
266.32010	1.3
277.21646	15.4
289.21680	1.6
315.23181	1.4
333.24286	10.9
351.25339	94.4
352.25650	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07035	0.5
55.05511	0.7
59.11955	0.5
65.19949	0.5
67.05499	0.6
69.07061	1.0
70.96416	1.3
79.05531	1.0
79.91897	0.6
81.07050	1.2
90.30643	0.6
91.05461	0.6
93.07034	1.7
94.04163	1.0
94.76050	0.6
95.08656	1.4
107.08601	2.0
109.10120	0.8
121.10165	0.6
122.03656	2.4
124.66775	0.6
133.10144	1.2
135.11691	1.8
137.05988	100.0
138.06256	0.7
147.11800	0.6
153.12724	1.2
170.15408	1.9
182.15376	4.8
226.10085	0.7
249.94092	0.7
259.20490	0.7
306.20566	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	352.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73247	0.7
53.01838	0.7
53.03933	2.3
55.01865	3.5
55.05501	1.2
56.05025	1.3
56.96344	0.7
56.96566	11.1
57.03451	3.6
58.06590	2.2
61.02923	5.7
67.05498	3.1
69.03432	15.4
69.07062	1.7
70.03749	0.8
70.06590	16.2
71.04984	2.4
71.51703	0.8
73.02905	3.3
79.05487	5.3
81.03407	5.3
81.07059	5.4
83.04974	1.8
84.08153	4.7
84.96031	4.2
85.02904	26.5
86.03201	0.9
86.09715	6.1
87.04474	2.1
91.03932	1.9
91.05492	5.6
93.07032	2.1
95.04964	2.4
95.08601	3.1
97.02887	12.6
97.06492	1.2
98.97588	21.0
99.04446	2.8
103.05497	1.3
105.07026	3.0
106.78726	0.7
107.04932	1.2
107.08584	5.4
108.46097	0.8
109.02843	3.8
109.06500	5.6
109.10166	1.0
110.97525	3.6
111.04451	1.3
112.99154	0.9
113.05981	1.0
116.07092	6.0
116.98626	5.1
119.01754	0.7
119.04943	1.7
120.05774	0.8
120.08082	1.1
121.06503	11.2
123.04430	1.1
123.08061	2.8
124.99097	2.1
125.05981	0.9
126.12788	21.4
126.97089	1.0
127.00706	1.0
127.03931	5.8
128.98573	3.7
132.98074	0.9
134.99594	1.1
135.04390	1.5
137.05984	18.5
138.06281	1.9
138.10286	0.7
139.07547	2.6
140.98657	0.7
141.09105	2.3
143.00146	3.7
143.10649	4.1
144.13831	58.6
145.04982	2.6
146.99606	1.0
147.04295	1.3
148.67555	0.9
149.05952	1.4
150.99225	0.8
152.97357	0.8
152.98589	1.4
155.07036	6.4
155.08195	1.2
158.99663	7.6
159.19783	0.7
161.01221	1.4
161.11667	1.3
162.99121	1.1
163.03911	7.9
163.05145	1.2
164.04221	1.5
164.05737	1.2
167.07039	1.3
170.04208	1.1
170.99670	2.5
171.99867	0.9
172.05693	0.8
172.13335	5.5
173.08177	0.9
175.05199	1.1
177.00716	4.6
179.00432	0.7
179.04695	1.6
180.05508	1.3
180.55627	1.2
181.05130	1.0
183.07948	0.9
186.03661	1.5
186.99123	0.8
187.04405	1.5
189.00745	1.9
189.05952	1.2
189.56110	1.1
190.03358	1.0
190.14381	100.0
193.01782	1.0
195.03198	1.0
199.06157	1.1
201.00677	1.7
202.05621	0.9
210.05391	2.0
211.02766	3.2
211.06149	1.5
219.01793	4.9
229.03836	3.3
231.05827	2.0
232.06688	1.1
237.02818	2.4
238.06764	1.6
240.06508	2.0
241.07367	1.1
242.06279	0.8
247.07275	11.9
247.57361	2.0
249.06883	1.3
253.03836	1.9
253.07303	4.9
255.07068	1.1
256.07892	2.4
257.11819	0.8
261.08194	1.0
261.58279	2.6
262.07751	18.0
262.58038	3.2
264.07501	1.9
270.08594	1.0
270.58847	2.2
271.08313	19.9
271.58478	3.3
272.06827	1.1
273.06296	2.2
280.08853	32.3
280.59018	4.2
283.08319	1.0
291.59622	2.8
292.08939	0.9
305.13669	1.0
312.60953	0.8
316.17557	1.5
317.07034	1.2
335.07910	1.1
335.15555	1.1
343.10526	3.2
349.09216	1.1
352.10944	42.8
352.19635	8.8
352.61108	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	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01870	4.8
57.03431	6.4
61.02921	7.8
62.72675	1.9
67.05502	2.3
68.99784	5.5
69.03431	36.6
69.07069	80.8
69.58120	11.9
71.01343	2.4
71.04996	6.4
73.02911	5.6
79.05495	4.3
81.03424	21.8
81.07065	5.2
85.02908	100.0
85.06610	2.2
86.09725	7.8
87.00836	45.6
91.05486	3.3
93.07062	4.9
95.04936	2.9
95.08601	5.3
97.02892	55.3
99.04447	13.6
105.01865	91.6
107.08623	3.4
108.04488	2.6
109.02887	25.1
109.06579	2.5
109.10162	3.9
111.08122	5.8
115.03947	2.9
117.01840	2.5
118.06549	4.9
119.06837	2.9
126.64774	1.9
127.03922	80.4
129.01851	2.7
129.35999	2.1
135.08054	4.8
145.04962	62.4
145.08348	2.6
146.05989	6.9
147.04408	4.6
147.06322	5.6
153.09142	2.6
155.10649	5.3
159.02899	11.9
164.07080	14.3
165.07408	11.9
177.09166	5.1
181.06906	2.5
188.07098	6.9
189.03963	3.1
189.07411	7.6
190.04973	3.4
191.14308	3.0
195.10213	9.4
199.08080	2.1
208.25943	2.0
231.05032	31.0
249.06099	18.4
281.10062	2.0
317.25287	2.1
352.13959	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	352.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43638	1.9
67.05499	4.6
69.03433	10.2
69.35155	1.9
70.09896	3.9
70.10252	8.6
74.41518	2.0
77.85799	1.8
79.05155	1.9
79.05501	23.3
79.16090	2.0
81.03413	3.5
81.07054	10.2
85.02908	5.1
85.06532	3.8
91.05494	3.6
93.07035	11.0
95.04953	2.3
95.08606	44.3
98.20834	2.6
99.04434	5.1
104.75386	2.0
105.07031	61.8
109.10133	2.9
111.08116	4.3
113.05994	4.0
123.07205	3.6
123.08067	48.9
133.05000	2.6
137.06027	2.4
141.09106	100.0
145.04935	5.9
153.09058	2.7
153.80661	2.0
154.24033	1.8
155.07005	5.5
159.06528	11.2
159.10164	32.9
173.08099	2.8
173.11720	2.6
266.42691	1.9
267.12195	4.5
269.41208	1.9
285.13278	9.3
303.14368	5.2
352.09579	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	352.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.1
57.07064	2.0
59.04995	2.2
61.02939	1.8
61.39783	1.1
63.67170	1.1
64.51500	1.0
67.05511	5.9
69.03447	1.9
69.07067	4.9
70.53684	3.7
79.05500	5.5
81.03424	1.6
81.07062	100.0
85.02924	6.0
93.07082	1.7
95.08617	29.6
97.02879	2.1
99.08134	1.8
105.07021	1.6
111.11735	1.9
116.30054	1.1
118.89748	1.1
131.29890	1.2
133.06470	1.3
137.13264	29.6
137.14264	2.3
145.04990	2.0
147.11639	1.2
155.14308	13.0
167.72813	1.2
176.15138	1.7
191.14343	2.0
199.89595	1.1
249.78842	1.1
284.88327	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01875	1.0
55.05506	1.9
57.03429	1.2
60.17203	0.5
61.02926	0.7
67.05495	2.5
67.30285	0.7
69.03089	1.0
69.03432	15.5
69.06734	1.0
69.07075	13.0
70.67534	0.6
71.42879	0.9
73.02895	0.7
79.05492	3.1
81.03430	1.9
81.07056	3.9
83.04967	3.2
83.08609	1.8
85.02907	10.5
85.06538	1.9
91.05485	3.2
93.07034	3.0
95.08623	5.5
97.02896	2.6
97.06531	1.3
99.04437	1.1
104.18587	0.7
105.07027	4.4
107.08593	10.3
109.02870	1.0
109.06494	2.2
111.08089	6.1
117.06979	1.3
119.08586	3.6
121.06503	1.7
121.10151	6.7
123.08061	3.8
127.03903	3.2
131.08559	8.0
133.10132	7.3
135.08052	12.9
135.11707	3.2
137.09607	0.7
143.08484	1.6
145.04999	0.9
145.10124	2.6
147.11690	4.7
149.09616	5.7
149.13203	2.4
158.10915	3.5
163.14809	3.0
173.13263	16.5
175.14851	1.6
180.21498	0.7
191.14320	100.0
191.93054	0.8
200.69115	0.7
201.69916	0.7
209.15300	1.0
353.19589	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	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92912	0.9
53.03940	1.9
55.01871	3.0
55.05508	2.5
57.03429	3.2
57.07054	1.8
59.05003	1.0
67.05508	3.9
69.03433	15.9
69.07076	15.9
71.04997	1.7
71.09806	2.4
74.32253	0.8
79.05486	5.0
81.03419	2.6
81.07053	7.8
83.04988	5.0
83.08626	2.6
85.02909	12.6
85.06531	1.1
87.00836	1.5
91.03929	1.0
91.05469	5.5
93.07034	5.8
95.04980	1.5
95.08603	7.8
97.02896	6.1
97.06541	2.8
99.04474	2.2
105.01880	2.6
105.07038	7.1
107.07880	2.1
107.08592	28.2
109.02885	3.4
109.06519	3.0
109.10143	2.6
111.08099	2.8
117.07030	1.0
119.08587	14.7
121.06489	6.7
121.10159	12.7
123.08086	3.6
127.03946	7.3
129.06999	0.9
131.08557	9.0
133.10132	13.9
135.08067	16.8
135.11688	6.5
137.09625	2.6
137.13292	1.3
143.08569	3.4
145.02757	1.1
145.04971	2.6
145.10156	4.6
147.08020	1.1
147.11714	13.3
149.09659	6.5
149.12195	1.2
149.13290	11.1
155.14287	1.2
157.10063	1.3
158.10941	4.4
159.11719	1.4
161.09596	1.1
161.13254	1.2
163.14853	3.6
164.07109	1.8
165.07384	1.5
166.07538	1.5
173.09602	1.2
173.13275	23.4
175.14830	13.5
189.12837	1.0
191.14319	100.0
193.16011	1.0
209.15416	3.3
224.43156	0.9
232.05531	1.1
287.16458	1.6
299.16281	1.0
317.17471	1.3
335.18527	1.9
353.13605	2.5
353.19647	19.2
355.01682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.3
54.50335	4.6
55.01863	4.6
57.03441	5.5
57.07064	9.9
63.84077	4.5
67.05494	16.1
69.03440	28.7
69.07084	32.5
70.27365	4.9
71.04990	29.2
71.40076	6.9
79.05483	16.0
81.03411	9.4
81.06602	5.2
81.07063	100.0
83.04963	9.5
83.08613	7.7
85.02895	17.8
85.06538	13.6
91.05464	8.2
93.07030	16.2
95.04967	6.0
95.08614	65.4
97.02887	14.5
97.10120	5.1
98.02031	4.6
99.04457	6.8
99.08099	5.7
105.07008	19.4
106.67013	4.1
107.08597	28.8
109.02868	5.3
109.06516	9.2
109.10154	18.0
111.80996	4.2
118.06503	8.6
119.08592	15.0
121.06515	8.4
121.10164	25.3
122.51150	5.0
123.08049	11.0
123.11713	20.1
127.03922	9.1
131.08562	18.1
133.10088	12.7
135.04417	5.8
135.08051	6.9
135.11729	11.0
137.05980	10.7
137.13261	39.1
145.02823	14.7
145.10152	8.4
146.05975	12.0
147.04439	6.1
147.06343	13.5
147.11674	9.5
148.06644	6.2
149.13194	12.5
155.14320	82.6
161.09651	5.6
163.03914	8.0
163.11153	8.4
163.14793	6.9
164.07030	19.7
165.07393	15.8
166.07607	8.2
167.07004	8.8
167.14221	4.5
173.13283	23.8
173.15411	39.0
174.12032	6.0
175.14870	7.1
177.05484	21.8
179.14313	8.1
189.07407	8.2
191.10582	7.1
191.14305	34.6
191.16402	19.8
209.15425	12.8
321.11182	6.5
353.13824	14.4
353.19653	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.6
57.03460	3.2
57.07076	3.8
58.82841	3.3
59.05008	4.6
67.05505	5.9
69.03432	6.8
69.07078	16.5
69.79040	11.1
71.04992	15.2
72.52011	2.9
79.05500	6.8
81.07064	51.3
83.08640	3.7
85.02904	16.7
85.06563	7.7
91.05488	3.0
93.07006	3.6
95.08616	32.1
97.10199	4.7
99.08098	6.6
107.08619	6.8
109.10193	4.7
119.08582	4.7
121.10104	3.5
131.08565	3.2
137.13260	26.3
155.14322	100.0
173.13205	5.3
173.13802	3.4
173.15405	64.8
175.14864	4.5
191.14333	5.8
191.16502	4.9
230.46382	3.2
299.33121	2.9
353.14191	4.8
353.19189	4.1
374.84058	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	353.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.5
57.07077	7.6
66.71987	1.5
67.05510	12.3
69.03430	2.0
69.07079	25.1
70.47013	4.8
72.08157	1.9
79.05483	4.8
81.07063	100.0
83.08633	5.5
85.02943	7.7
85.06556	27.0
95.08618	48.8
96.44958	1.7
97.02898	3.0
99.08096	26.2
109.10175	3.7
111.11733	5.7
111.37624	1.5
127.03906	1.8
137.13261	36.0
137.31396	1.6
143.14348	7.4
155.14316	81.5
173.15390	84.0
191.16447	25.7
323.95288	1.6
374.05142	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.58957	1.1
53.03956	2.8
55.05510	13.4
57.03448	7.0
57.07065	3.7
59.77796	1.1
67.05509	83.9
69.07079	14.4
70.21780	4.4
71.05004	1.4
74.26313	1.0
77.03919	1.7
77.61948	1.1
79.05497	41.1
81.07059	99.6
83.08612	7.0
85.06541	3.1
91.05482	21.5
93.07048	50.1
95.04951	1.4
95.08610	76.9
97.06531	4.9
97.10151	1.7
99.08094	2.2
105.07034	15.1
107.08599	34.0
109.10161	36.0
111.08043	1.7
117.06998	6.2
119.08583	13.6
121.10146	32.2
123.08102	2.3
123.11726	22.8
125.09604	1.8
131.08583	17.4
133.10147	13.2
135.11691	23.7
137.09647	1.5
137.13219	8.7
139.11230	1.9
145.10136	14.0
147.11676	10.8
149.13249	18.3
151.11180	1.2
151.14798	1.6
152.29373	1.2
159.11714	12.0
161.13264	8.4
163.11156	2.1
163.14839	10.7
165.12753	1.7
173.13271	16.2
175.14792	2.3
177.12785	1.3
177.16376	6.0
187.14835	11.4
201.16368	1.9
215.17876	1.3
233.22612	4.3
243.21083	29.7
261.22150	100.0
262.22452	3.2
263.23608	1.4
279.23123	8.2
317.24533	1.9
335.25833	15.9
344.57169	1.2
353.26929	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
53.31723	1.3
55.05517	11.8
57.03436	3.4
57.07067	5.1
59.05003	1.2
62.40933	1.1
65.03917	2.2
66.70831	1.4
66.88192	1.1
67.05510	78.9
69.07077	11.2
70.09914	1.3
70.21734	4.6
71.04991	1.2
71.08635	1.7
77.03896	1.7
79.05501	46.9
81.07062	79.6
83.04960	1.6
83.08620	4.9
85.06516	2.8
91.05495	19.4
93.07051	55.7
95.04967	2.2
95.08614	60.3
97.06522	2.4
97.10170	2.0
99.08134	1.3
105.01577	1.3
105.07044	17.5
107.08604	35.9
109.10166	32.4
113.09599	1.8
117.07017	10.0
119.08581	14.5
121.10150	28.8
123.08051	1.4
123.11729	17.8
131.08580	21.8
133.10136	12.8
135.11696	21.4
137.13239	5.7
141.69705	1.5
145.10136	13.4
146.35469	1.3
147.11697	11.4
149.13266	19.2
151.11200	2.1
151.14830	2.0
159.11700	14.3
161.13263	8.8
163.14825	14.0
173.13280	17.1
175.14812	3.6
176.77103	1.4
177.12776	1.5
177.16386	4.5
179.14333	2.0
187.14819	8.6
191.14258	1.9
201.16388	4.0
205.15790	2.1
215.17795	1.9
219.17445	1.7
221.04881	1.2
233.22580	3.0
243.21129	24.7
249.63945	1.3
257.78238	1.5
261.22162	100.0
279.23196	4.8
317.24969	1.6
335.25903	11.4
353.26871	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.09877	2.1
54.38794	2.0
55.05514	13.2
57.03432	5.4
57.07085	3.9
65.03934	3.1
67.05508	87.0
68.73339	2.1
69.07076	11.1
70.67309	4.6
70.67681	3.8
75.04482	1.9
79.05499	31.0
79.99184	2.0
81.07065	92.8
83.08619	6.1
91.05482	21.0
93.07048	48.2
95.08620	70.2
95.09245	3.1
97.06560	3.6
97.10181	3.3
105.07043	16.2
107.08609	32.1
109.10167	36.9
111.08071	2.2
117.07019	6.3
118.32637	1.8
119.08589	12.6
121.10157	28.6
123.08098	2.0
123.11727	19.4
131.08563	19.0
133.10161	11.8
135.11707	25.5
137.13257	8.2
141.04721	2.2
145.10150	11.8
147.11708	10.4
149.13275	19.7
153.12743	2.0
159.11710	11.9
161.13223	9.4
163.14832	12.5
173.13248	15.4
175.14758	3.9
177.16386	4.3
187.14822	8.8
201.16417	4.1
205.15916	2.6
233.22633	3.3
243.21115	28.7
261.22177	100.0
276.78265	2.8
279.23206	8.5
335.25870	13.6
353.26926	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
53.51748	1.0
55.05515	9.2
57.03428	3.7
57.07069	3.2
58.65857	1.1
59.63402	0.9
65.03921	2.0
67.05507	75.0
69.07073	12.9
69.26481	7.1
69.26894	2.7
69.85713	1.0
71.04973	3.1
71.08627	2.5
72.01353	1.2
75.04453	2.1
76.46343	1.0
79.05494	38.6
81.07058	86.3
83.04966	1.6
83.08616	7.0
85.06551	2.5
91.05483	19.4
92.46819	1.0
93.07049	57.3
95.04968	1.8
95.08610	63.7
97.06511	3.5
97.10153	3.1
99.08083	2.7
105.07039	16.8
107.08595	37.7
109.10160	34.3
111.08076	1.5
113.09599	1.3
117.06999	7.7
119.08574	14.4
121.09340	2.0
121.10149	29.0
123.08047	2.2
123.11705	16.7
131.08566	19.7
133.10112	13.0
135.11696	28.0
135.12721	1.7
137.09628	2.4
137.13261	7.8
145.10139	13.7
147.11690	13.2
148.62965	1.3
149.13271	20.5
151.14836	2.5
153.12668	1.5
159.11676	15.8
161.13277	10.1
163.11253	1.2
163.14806	11.2
165.12682	2.1
165.16443	1.2
173.13300	17.2
173.79086	1.0
175.14819	3.7
177.12819	1.4
177.16405	7.8
179.14270	1.1
187.14832	10.1
189.16457	1.4
191.14317	1.7
201.16367	4.1
215.18007	1.3
233.18900	1.2
233.22635	3.8
243.21107	27.2
261.22137	100.0
262.22467	1.4
279.23184	4.0
317.24847	1.2
335.25742	10.2
353.26865	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03939	4.3
55.05517	13.9
57.03430	6.4
57.07074	3.2
65.03946	2.2
67.05510	87.9
69.07077	13.3
69.45813	2.5
69.46198	9.4
71.05007	3.2
75.04484	1.9
79.05501	38.3
81.07061	97.6
83.04990	1.3
83.08206	1.2
83.08603	7.4
85.06538	2.1
91.05485	17.8
93.07052	49.0
95.04975	2.7
95.08614	77.2
97.06512	3.6
97.10200	3.1
98.21471	3.2
99.08089	2.9
105.07037	15.1
107.08600	35.8
109.06612	2.0
109.10165	38.1
113.09616	1.6
117.07041	9.0
118.12992	1.3
119.08580	12.9
120.69580	1.5
121.10155	31.7
123.08054	1.5
123.11726	25.4
131.08580	18.6
133.10135	14.1
135.11702	26.6
137.09645	2.6
137.13266	7.5
139.11224	2.2
145.10144	14.0
147.11714	12.4
149.13271	20.6
151.14919	1.9
153.12740	1.3
159.11708	13.6
161.13284	10.7
163.14848	14.8
165.12752	2.4
173.13286	17.9
175.14885	4.3
177.16423	4.9
179.14346	3.3
187.14824	9.3
191.14368	1.9
191.18135	1.4
195.13750	1.5
198.09610	1.6
201.16408	3.4
211.49843	1.4
215.17953	1.6
222.78314	1.4
233.22615	4.7
243.21118	29.3
261.22153	100.0
279.23209	8.6
335.25839	19.6
353.26944	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03940	2.5
55.05513	10.0
57.03436	3.9
57.07064	4.4
60.49858	1.9
65.03947	2.1
67.05508	88.3
67.63813	1.8
69.07076	12.1
69.97058	7.2
71.08628	4.0
77.03926	2.2
79.05496	57.6
79.97909	1.8
81.07063	100.0
83.08615	7.2
87.19638	1.9
91.05074	1.8
91.05499	22.5
93.07048	65.5
95.04941	2.8
95.08613	67.1
95.85001	1.8
97.06535	3.9
99.08099	3.8
105.07026	14.7
107.08601	43.4
109.10167	31.0
111.08097	2.2
113.09682	1.9
117.07024	9.2
118.48513	2.1
119.08597	14.0
121.10154	31.1
123.11707	12.5
125.09623	2.4
131.08586	23.2
133.10144	11.6
135.11707	21.4
137.13278	12.5
145.10126	16.3
147.11696	10.7
149.13266	22.0
151.14841	3.9
159.11688	13.2
161.13280	9.0
163.11060	2.3
163.14847	17.4
165.12762	2.1
173.13251	15.0
173.97823	1.9
175.14737	3.9
177.16362	4.7
187.14856	8.5
191.14145	1.9
201.16528	3.0
215.18124	2.3
219.98032	2.4
233.22679	5.2
243.21098	32.6
261.22159	85.6
262.22372	2.8
279.23111	4.7
335.25861	16.1
353.26932	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	354.3367
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05496	11.7
57.07059	9.7
58.06600	19.4
67.05493	6.1
69.07078	18.7
70.02967	3.0
70.06581	8.6
70.80421	7.3
71.08619	9.2
74.06077	3.2
81.07047	11.1
83.08604	11.7
84.08119	5.2
85.10182	2.9
86.06084	4.7
92.66415	2.3
93.07011	4.3
95.08603	13.3
97.10150	7.1
109.03082	2.9
109.10185	5.5
111.11702	3.7
123.11711	3.5
123.50266	2.7
151.07587	3.2
187.08754	2.8
279.89417	2.6
307.29987	4.1
308.33099	3.1
326.34122	4.2
336.32690	8.9
354.33676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11953	6.7
69.76337	31.5
69.76749	15.6
98.20802	10.6
223.46570	7.0
266.39200	8.1
280.08389	8.3
355.07950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.11151	0.3
63.02384	0.4
69.39360	1.0
69.39779	1.3
79.05493	0.9
83.04973	0.8
86.01927	0.3
89.03403	0.5
89.03920	5.5
95.04995	0.3
107.04979	1.9
117.03384	9.0
135.04425	16.7
137.05972	1.2
145.02856	13.4
145.03896	0.5
151.07585	0.6
163.03906	100.0
164.04259	1.0
177.09120	0.8
181.04913	0.5
186.27516	0.3
211.99966	0.3
284.10263	0.4
305.11758	0.5
337.14465	0.5
355.10117	0.3
355.15192	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1178
Annotation	Vitrofolal B
Peak:m/z	Relative Intensity
53.03951	1.9
55.01874	2.1
55.23280	1.0
57.03440	2.0
65.03947	2.4
68.28407	1.2
69.03429	1.9
69.35049	10.4
78.04697	1.6
79.05496	4.6
81.07037	1.6
89.06041	1.7
91.05479	15.7
93.07055	1.6
95.04979	3.4
103.05462	4.5
105.03315	1.3
105.07043	2.6
107.04974	9.8
107.08569	1.2
108.05709	1.4
109.06523	1.5
115.05437	7.8
117.07028	7.0
119.04951	7.5
121.02833	2.3
121.06503	27.1
122.03648	3.6
123.04428	3.2
125.05991	1.5
129.06985	1.3
130.04124	4.7
131.04932	9.7
132.05748	1.9
133.02863	1.4
133.06474	6.5
133.10020	1.5
135.04428	4.6
136.05179	3.2
137.05983	40.7
138.03096	2.9
139.07477	1.5
140.04710	1.5
141.06949	1.5
143.04932	6.5
144.05711	2.8
145.02866	2.4
145.06503	17.8
146.03572	1.6
146.07268	31.8
147.04411	7.6
147.08028	5.7
149.05988	35.1
151.07550	33.0
152.04688	2.0
152.06259	1.5
153.05481	18.0
155.04907	3.3
158.03645	4.8
159.08081	3.5
160.05226	4.8
161.05946	6.9
162.06749	6.5
163.03943	15.6
163.07574	5.2
165.05525	17.4
165.06876	2.5
165.09081	1.7
167.03400	1.8
167.07042	18.2
168.05769	1.6
173.05989	10.3
173.09532	1.6
174.06714	1.8
175.03911	2.0
175.07533	9.4
176.06148	1.3
177.05553	19.1
177.06931	3.0
177.09113	58.0
178.07745	7.0
179.07034	8.7
179.08569	7.8
180.07813	2.5
181.05061	1.6
181.06523	5.6
181.08594	2.4
186.03157	14.9
186.06825	1.6
187.07549	6.3
188.04678	1.5
188.08089	1.4
189.05511	2.5
189.07024	7.8
189.09145	1.4
190.07791	2.1
191.06972	1.6
191.08597	3.8
192.05722	4.9
193.04977	1.9
193.08630	4.4
195.08206	1.5
201.05466	51.2
201.09074	9.8
203.06985	9.4
203.08696	2.7
204.05745	3.7
205.06552	8.0
206.07288	6.0
207.08047	17.8
208.08861	1.4
209.06007	4.1
210.06628	2.0
211.07663	2.3
213.09116	1.5
215.06963	2.6
217.06462	3.4
218.07266	4.5
219.08109	7.3
219.09926	1.4
220.05206	22.6
220.08786	2.4
221.06049	10.4
221.09508	1.7
223.07564	5.2
224.08272	4.2
225.09065	1.6
227.07019	1.8
231.08081	4.5
231.10132	2.7
233.05968	5.4
233.09712	1.5
234.06691	10.5
235.07556	35.1
235.11211	5.3
236.08279	5.0
237.05536	12.0
237.09158	2.2
238.06236	4.0
239.06943	1.8
241.08640	2.8
245.05986	1.9
245.09669	7.8
245.80699	1.4
246.06712	1.5
246.10451	3.6
247.07564	11.2
248.04733	10.7
248.08324	3.8
249.05423	5.3
249.09158	5.9
250.06250	4.1
251.07065	12.0
251.10814	1.6
252.07870	14.3
253.08615	2.7
254.09375	2.6
255.06450	1.7
260.08569	1.3
261.05441	5.3
261.09177	4.0
262.06253	9.8
262.09845	5.0
263.07050	29.9
263.10599	8.2
264.05060	1.3
264.07831	7.4
264.11075	1.3
265.05038	7.7
265.08560	3.9
266.05814	1.6
267.10184	15.4
269.08167	5.3
270.08914	2.5
273.09045	4.3
274.09973	8.4
275.10501	2.5
276.04697	1.6
276.07751	6.9
277.08594	9.1
277.12256	6.2
278.05765	2.2
279.06519	9.9
279.10211	4.4
280.07315	13.9
281.08145	4.0
283.09503	1.5
284.10464	3.7
285.11264	3.4
290.05753	4.2
290.09375	7.7
291.06516	6.7
291.10175	10.3
293.04788	2.5
293.08124	3.7
294.08884	4.5
295.09637	29.8
295.13284	15.6
296.10428	2.9
297.07678	4.9
297.10934	1.4
305.08212	5.2
305.11703	61.6
306.12396	7.7
307.05927	3.2
307.09558	2.9
308.06784	6.4
309.07486	2.6
309.11124	2.5
310.11929	1.6
311.08987	1.3
312.09970	5.5
313.10904	3.2
322.08334	9.8
322.11880	2.6
323.09119	31.6
323.12827	26.7
324.09796	1.5
325.07068	2.3
325.10654	1.5
325.14160	1.9
327.12219	17.6
337.10654	36.2
337.14404	17.6
340.09351	3.1
340.13071	1.8
355.11685	100.0
355.15515	52.1
356.12064	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01874	2.1
55.23280	1.0
57.03440	2.0
65.03947	2.4
68.28407	1.2
69.03429	1.9
69.35049	10.4
78.04697	1.6
79.05496	4.6
81.07037	1.6
89.06041	1.7
91.05479	15.7
93.07055	1.6
95.04979	3.4
103.05462	4.5
105.03315	1.3
105.07043	2.6
107.04974	9.8
107.08569	1.2
108.05709	1.4
109.06523	1.5
115.05437	7.8
117.07028	7.0
119.04951	7.5
121.02833	2.3
121.06503	27.1
122.03648	3.6
123.04428	3.2
125.05991	1.5
129.06985	1.3
130.04124	4.7
131.04932	9.7
132.05748	1.9
133.02863	1.4
133.06474	6.5
133.10020	1.5
135.04428	4.6
136.05179	3.2
137.05983	40.7
138.03096	2.9
139.07477	1.5
140.04710	1.5
141.06949	1.5
143.04932	6.5
144.05711	2.8
145.02866	2.4
145.06503	17.8
146.03572	1.6
146.07268	31.8
147.04411	7.6
147.08028	5.7
149.05988	35.1
151.07550	33.0
152.04688	2.0
152.06259	1.5
153.05481	18.0
155.04907	3.3
158.03645	4.8
159.08081	3.5
160.05226	4.8
161.05946	6.9
162.06749	6.5
163.03943	15.6
163.07574	5.2
165.05525	17.4
165.06876	2.5
165.09081	1.7
167.03400	1.8
167.07042	18.2
168.05769	1.6
173.05989	10.3
173.09532	1.6
174.06714	1.8
175.03911	2.0
175.07533	9.4
176.06148	1.3
177.05553	19.1
177.06931	3.0
177.09113	58.0
178.07745	7.0
179.07034	8.7
179.08569	7.8
180.07813	2.5
181.05061	1.6
181.06523	5.6
181.08594	2.4
186.03157	14.9
186.06825	1.6
187.07549	6.3
188.04678	1.5
188.08089	1.4
189.05511	2.5
189.07024	7.8
189.09145	1.4
190.07791	2.1
191.06972	1.6
191.08597	3.8
192.05722	4.9
193.04977	1.9
193.08630	4.4
195.08206	1.5
201.05466	51.2
201.09074	9.8
203.06985	9.4
203.08696	2.7
204.05745	3.7
205.06552	8.0
206.07288	6.0
207.08047	17.8
208.08861	1.4
209.06007	4.1
210.06628	2.0
211.07663	2.3
213.09116	1.5
215.06963	2.6
217.06462	3.4
218.07266	4.5
219.08109	7.3
219.09926	1.4
220.05206	22.6
220.08786	2.4
221.06049	10.4
221.09508	1.7
223.07564	5.2
224.08272	4.2
225.09065	1.6
227.07019	1.8
231.08081	4.5
231.10132	2.7
233.05968	5.4
233.09712	1.5
234.06691	10.5
235.07556	35.1
235.11211	5.3
236.08279	5.0
237.05536	12.0
237.09158	2.2
238.06236	4.0
239.06943	1.8
241.08640	2.8
245.05986	1.9
245.09669	7.8
245.80699	1.4
246.06712	1.5
246.10451	3.6
247.07564	11.2
248.04733	10.7
248.08324	3.8
249.05423	5.3
249.09158	5.9
250.06250	4.1
251.07065	12.0
251.10814	1.6
252.07870	14.3
253.08615	2.7
254.09375	2.6
255.06450	1.7
260.08569	1.3
261.05441	5.3
261.09177	4.0
262.06253	9.8
262.09845	5.0
263.07050	29.9
263.10599	8.2
264.05060	1.3
264.07831	7.4
264.11075	1.3
265.05038	7.7
265.08560	3.9
266.05814	1.6
267.10184	15.4
269.08167	5.3
270.08914	2.5
273.09045	4.3
274.09973	8.4
275.10501	2.5
276.04697	1.6
276.07751	6.9
277.08594	9.1
277.12256	6.2
278.05765	2.2
279.06519	9.9
279.10211	4.4
280.07315	13.9
281.08145	4.0
283.09503	1.5
284.10464	3.7
285.11264	3.4
290.05753	4.2
290.09375	7.7
291.06516	6.7
291.10175	10.3
293.04788	2.5
293.08124	3.7
294.08884	4.5
295.09637	29.8
295.13284	15.6
296.10428	2.9
297.07678	4.9
297.10934	1.4
305.08212	5.2
305.11703	61.6
306.12396	7.7
307.05927	3.2
307.09558	2.9
308.06784	6.4
309.07486	2.6
309.11124	2.5
310.11929	1.6
311.08987	1.3
312.09970	5.5
313.10904	3.2
322.08334	9.8
322.11880	2.6
323.09119	31.6
323.12827	26.7
324.09796	1.5
325.07068	2.3
325.10654	1.5
325.14160	1.9
327.12219	17.6
337.10654	36.2
337.14404	17.6
340.09351	3.1
340.13071	1.8
355.11685	100.0
355.15515	52.1
356.12064	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.2
62.17438	1.1
64.29144	1.2
68.78082	1.3
69.03430	6.9
69.07064	2.8
71.05021	2.0
77.03936	1.7
78.04707	2.0
79.05480	4.1
81.03420	3.4
81.07052	2.2
85.02905	2.5
89.03925	12.1
91.05473	14.7
93.07040	3.1
103.05464	4.7
105.03389	4.0
105.06995	1.9
106.04184	6.7
107.04906	3.8
109.02847	3.7
109.06507	2.5
115.05434	3.4
117.03382	14.2
117.07024	3.8
119.04930	4.2
119.08551	2.2
121.06515	18.1
122.03671	4.0
123.04429	2.4
127.03902	2.3
129.07002	1.7
131.04910	6.6
133.02861	36.5
133.06462	1.9
134.03651	12.3
135.04391	5.4
136.05229	2.5
137.05983	40.8
145.02840	14.0
145.06485	6.6
146.07278	9.8
147.00717	2.7
147.04405	5.3
147.08046	4.6
149.05989	32.7
150.03091	1.5
150.06760	3.0
151.03868	4.3
151.07539	25.0
153.85571	1.3
157.06494	3.9
159.08029	1.9
160.01526	1.6
160.05235	1.5
161.02298	5.4
161.05911	1.9
162.03117	11.8
162.06767	3.9
163.03937	10.8
163.07570	3.0
165.05510	9.3
165.06755	1.9
165.09120	1.5
167.07059	5.1
167.36380	1.3
173.05988	2.8
175.03766	2.4
175.07553	13.9
177.05496	32.3
177.09117	23.4
179.07011	5.5
179.08469	1.7
183.07944	2.1
186.06827	1.6
187.07567	6.9
188.08307	2.9
189.07047	2.2
189.09109	5.2
190.02618	12.0
191.07056	11.8
193.05019	10.1
201.05453	6.3
201.09128	15.8
203.08716	2.0
203.10655	4.8
205.04964	100.0
206.07306	1.7
207.08049	2.5
210.06819	2.3
211.07500	3.0
212.01154	1.4
213.09262	1.7
217.08575	2.4
219.08066	2.8
219.10132	2.2
220.08711	1.6
221.05965	1.9
225.09154	2.4
226.06209	1.5
227.07063	2.9
231.08064	3.1
231.10149	5.5
232.08667	1.8
233.09618	2.0
234.06828	2.7
235.07570	3.4
235.11163	4.3
236.08304	1.9
237.09140	2.2
239.06976	2.8
241.08661	7.7
245.09601	3.5
246.10390	3.3
247.07573	4.0
248.08383	2.8
249.09105	1.9
250.06299	1.4
251.07022	2.4
251.10721	1.9
252.07776	2.4
253.08577	2.4
254.09372	5.4
255.06415	2.8
261.05829	2.1
261.09103	4.1
262.06244	1.8
262.09882	4.9
263.07022	5.0
263.10580	5.9
264.07666	2.3
265.04996	1.9
265.08551	5.5
267.06842	2.2
267.09946	2.7
269.08102	6.0
269.11694	2.3
270.08823	5.0
273.09082	3.3
274.09894	3.5
275.10553	3.8
276.07852	1.8
277.08710	3.3
277.12253	4.6
278.09335	1.7
279.10147	4.1
280.07138	1.5
280.10950	1.5
281.08066	2.4
284.10458	19.4
285.11243	13.7
289.05298	1.8
290.09308	5.7
291.10123	11.9
293.08188	2.6
293.11624	2.8
295.09738	3.7
295.13248	4.5
297.11295	7.0
305.08237	3.3
305.11728	39.5
306.12671	9.7
307.09769	4.5
309.11270	1.7
310.08487	3.1
310.11932	4.3
311.12579	2.3
313.10696	2.4
322.08640	1.6
322.11981	6.1
323.09012	3.3
323.12762	12.8
325.10690	10.6
325.14322	7.3
337.10355	4.2
337.14273	24.4
355.11597	15.8
355.15424	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	355.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24172	0.5
55.01877	1.2
55.05490	0.9
56.96300	1.2
56.96566	16.8
56.96848	0.9
57.03426	1.1
57.07067	0.9
58.51157	0.6
59.37069	0.5
60.01335	0.7
60.95858	0.8
61.02921	2.3
67.05495	2.7
69.03432	4.8
69.54777	1.4
69.55176	3.5
70.06597	1.0
70.98138	0.7
72.51524	0.5
72.54853	0.6
73.02898	1.7
73.04752	1.5
74.97601	0.8
76.40064	0.6
79.05498	6.9
80.05853	0.7
81.03415	2.2
81.07050	2.4
83.01305	0.6
84.96049	3.0
85.02912	8.9
85.06544	0.8
87.04463	0.7
89.03922	7.9
91.03962	0.8
91.05483	2.1
93.07036	2.7
95.04959	2.3
95.08617	5.5
97.02907	5.0
97.06522	0.8
98.97591	26.2
103.05483	1.2
105.07037	6.0
107.04957	2.5
107.08555	0.6
109.02895	1.5
109.06514	2.2
110.97570	6.1
111.08070	1.8
112.99139	1.5
115.32845	0.6
116.98621	5.9
117.03387	10.0
119.01795	0.8
121.06506	2.6
123.08073	7.7
124.08384	0.7
124.99149	5.0
126.97049	1.0
127.00713	1.8
127.03925	3.0
128.02312	0.9
128.98634	3.9
131.04967	1.1
134.99612	1.0
135.04433	15.9
136.04677	0.6
137.05977	7.6
139.00656	1.0
140.98643	1.3
141.02240	3.0
141.09093	5.0
143.00183	6.2
145.01761	1.4
145.02849	12.2
145.04890	1.5
146.99602	1.3
147.04456	1.0
148.07591	0.8
149.05917	1.3
151.00734	0.7
152.98622	1.5
158.99686	8.9
159.03293	1.4
161.01245	2.1
161.02879	0.7
161.04591	1.1
163.03920	100.0
164.04269	4.1
164.07030	1.0
165.05386	0.8
167.03802	3.2
167.07027	2.2
170.99660	3.7
171.03397	1.0
171.04955	1.9
172.05765	0.9
172.94318	0.8
176.07135	1.1
177.00754	4.4
177.05530	1.6
179.03816	1.6
180.05444	12.7
180.55615	1.4
182.99765	1.1
185.01256	1.2
185.04884	21.7
186.05330	1.5
187.04369	1.0
187.06274	0.9
189.00685	1.6
189.04355	0.8
189.05968	11.8
189.56161	1.7
194.08241	0.7
194.11800	0.8
195.05931	1.3
197.04889	5.5
198.06538	0.8
199.02760	0.8
199.06429	0.9
201.00771	2.3
201.04353	0.9
203.05922	11.6
206.04578	0.6
207.05124	0.7
209.08086	1.0
211.02861	1.1
213.04407	1.4
215.02228	0.8
215.05927	6.1
219.01788	5.5
223.05469	3.5
229.03922	1.5
231.01755	1.1
232.96497	1.5
233.06966	4.4
237.00763	0.9
237.02866	3.6
239.05940	3.3
241.07661	0.7
243.05449	0.7
249.02856	1.4
253.03893	2.5
257.07016	1.2
259.06488	0.7
259.10257	1.7
259.56610	1.2
259.60239	0.8
260.07410	0.9
265.03812	0.8
265.08157	1.4
266.59326	0.9
267.08090	2.2
268.06964	0.9
268.97714	0.6
269.59952	0.9
271.04968	1.0
276.07800	9.2
276.58188	2.2
277.09625	1.4
283.05051	0.9
285.08090	2.7
285.58078	0.9
295.04886	1.0
295.07651	2.7
295.12225	2.0
303.07480	2.0
304.08173	1.2
307.12360	0.8
311.07996	2.9
325.13113	4.3
337.09470	1.3
343.14273	1.5
346.11084	1.4
346.61343	0.9
353.09167	0.8
355.03625	2.8
355.10019	6.4
355.14386	7.0
356.13361	2.0
356.17233	1.5
359.10074	3.6
371.10287	3.0
373.08047	3.4
373.15332	4.3
377.11340	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1542
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
50.48586	0.8
53.03953	1.0
53.63212	0.8
54.72993	0.8
55.01888	0.8
59.56760	0.7
62.88816	0.8
65.00362	0.7
71.04986	3.2
75.04475	1.4
77.03934	1.1
79.05483	2.0
81.07058	0.9
91.05486	8.3
93.03417	1.1
94.04191	4.5
95.04986	1.3
103.05454	3.4
104.31217	0.8
107.04973	6.4
108.05730	1.7
109.06525	3.2
111.35047	0.8
115.05450	4.1
117.07047	4.0
119.04948	2.9
121.06516	13.9
122.03677	8.1
128.06239	2.8
128.17366	0.8
129.07019	5.9
131.04942	7.2
131.08563	0.8
131.68347	0.9
132.05730	1.3
133.02855	3.5
133.06519	1.9
135.04398	2.4
136.05209	9.0
137.05988	100.0
139.07535	1.9
141.07034	1.2
143.04909	2.8
143.08508	0.9
144.05693	2.7
145.06499	6.9
146.07285	14.8
147.04408	3.1
147.08015	3.4
149.06003	22.0
150.06725	1.1
151.07555	73.5
154.09540	0.9
156.05817	1.0
157.06509	11.8
158.07268	7.8
159.04367	1.4
159.08055	4.0
160.05219	3.9
161.06013	4.3
162.06734	4.2
163.07544	3.6
165.05510	9.4
165.09094	3.9
167.07082	2.1
170.07324	1.0
171.08031	1.5
172.05203	2.0
172.08832	5.6
173.05998	3.1
174.06779	6.9
175.07568	16.9
177.05513	13.6
177.09123	38.4
177.10677	2.1
179.07089	11.5
181.06494	2.9
182.07320	2.2
183.08058	1.6
185.05865	1.0
186.06805	2.7
187.07555	15.5
188.08331	13.4
189.09123	16.2
190.07843	1.0
190.09821	1.2
191.07013	4.1
191.08551	1.8
191.10739	1.8
193.08551	2.7
195.08063	1.0
196.05255	1.1
197.05867	1.3
198.06793	2.9
199.07576	2.7
201.09114	41.3
202.07887	1.9
202.09915	1.6
203.08571	4.3
203.10686	11.5
204.09462	1.3
205.08519	1.4
207.08160	1.4
208.53003	0.9
210.06714	4.2
211.07574	9.0
213.09079	5.0
215.08589	4.0
217.06674	1.7
217.08415	5.4
218.07347	2.4
219.08163	8.2
219.10117	1.7
220.08884	1.5
221.06026	1.2
221.09550	1.9
223.07494	1.0
225.09090	7.3
226.06177	4.9
227.06985	7.2
230.07269	2.2
231.08038	7.8
231.10201	19.7
232.08856	3.0
233.09668	9.2
234.06604	1.1
234.10486	3.0
235.07527	3.8
235.11159	3.8
236.08273	1.3
237.09113	1.6
239.07071	9.1
239.10678	1.3
240.07843	2.8
241.08611	36.2
244.08777	1.4
245.09613	7.7
246.10483	8.9
247.07552	12.3
248.08359	7.4
249.09114	3.5
250.09875	1.9
251.07089	1.0
251.10681	3.7
252.07954	1.6
253.08556	7.8
254.09404	27.7
255.06557	11.8
255.10045	2.2
258.07034	1.0
259.07532	2.9
260.08304	1.7
261.09116	13.1
262.09900	13.8
263.07150	3.4
263.10690	13.5
264.07800	3.6
264.11462	1.6
265.08582	2.3
265.12314	2.3
267.10190	5.2
269.08102	22.1
270.08902	14.4
273.09097	5.3
274.09854	10.6
275.07114	4.1
275.10684	6.5
276.07794	3.5
277.08676	2.4
277.12280	12.7
278.09406	4.2
279.07074	1.3
279.10129	10.5
280.07452	1.5
280.10922	1.7
281.08112	2.3
281.11392	1.1
282.08884	4.8
283.09689	1.5
284.10455	65.1
285.11224	51.1
289.08578	2.0
289.12302	1.0
290.09402	10.9
291.10165	28.0
292.07318	2.4
292.10645	1.3
293.08377	2.1
293.11673	11.0
294.12561	4.4
295.09695	4.9
295.13370	7.7
297.11264	17.8
305.11746	69.4
306.09033	2.1
306.12500	32.0
307.09705	13.2
307.13147	1.8
308.10577	1.1
309.11185	1.5
310.11987	17.7
311.12796	2.9
319.13177	1.3
321.11111	2.4
322.12012	19.1
323.12784	14.6
325.14365	20.2
327.15958	4.6
337.14349	72.2
355.15417	63.4
362.61536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1539
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
69.40273	9.8
73.09971	1.5
79.05476	1.6
88.25796	1.2
91.05479	8.2
94.04186	3.6
103.05458	2.5
107.04961	6.0
108.05727	3.7
109.06519	3.2
110.21047	1.4
115.05428	2.0
117.07022	1.4
118.27227	1.2
119.04919	2.3
121.06491	9.8
122.03659	8.2
128.06212	3.7
129.07031	8.8
131.04956	3.5
131.08517	2.1
133.06483	1.6
135.04422	2.1
136.05176	10.1
137.05977	100.0
141.07094	2.6
143.08575	1.7
144.05629	2.0
145.06474	4.4
146.07262	7.6
146.98283	1.3
147.04384	2.2
149.05997	12.2
151.03914	3.1
151.07541	89.8
152.07912	1.5
156.05688	1.6
157.06499	11.5
158.07283	7.1
159.04384	1.4
159.08028	3.7
160.05032	1.5
161.05965	2.4
162.06798	2.0
163.03870	2.8
163.07521	1.9
165.05447	5.9
165.09125	4.2
167.07043	4.1
171.08084	3.1
172.05196	4.1
172.08849	5.7
173.05986	4.7
174.06775	13.6
175.07544	12.9
177.05432	6.1
177.09082	15.7
179.07034	6.0
186.06766	1.7
187.07547	31.8
188.08342	14.6
188.38272	1.6
189.09067	17.7
190.07631	1.4
191.07019	2.5
195.07951	1.6
199.07565	3.7
201.05437	1.5
201.09094	34.1
202.07753	2.9
202.09781	1.8
203.08600	4.4
203.10690	11.0
208.72229	1.3
210.06798	2.2
211.07582	1.8
213.09109	5.9
217.08565	21.2
218.07405	2.3
219.08047	6.5
220.08656	1.5
221.09712	2.5
225.09068	3.0
226.06255	2.3
231.08028	6.8
231.10187	21.5
233.09624	7.0
234.10422	3.3
235.07567	4.9
235.11104	1.5
236.08368	2.3
239.06998	2.9
241.08594	18.8
245.09549	6.5
246.10408	8.5
247.07501	11.5
248.08304	7.1
249.09055	3.1
250.09822	1.5
251.10774	3.5
253.08524	4.2
254.09399	6.8
255.06541	2.1
259.07550	1.8
261.09091	15.6
262.06714	2.0
262.09833	15.4
263.07019	4.3
263.10678	10.7
264.07773	2.7
265.08478	2.2
265.12274	2.1
267.10211	5.8
269.08115	13.5
270.08859	5.7
273.09186	2.9
274.09937	10.0
275.07013	3.6
275.10623	6.4
276.07736	3.6
277.08786	3.3
277.12201	10.1
278.09369	3.9
279.10162	12.1
284.10437	36.6
285.11188	15.3
289.08560	2.0
290.09500	9.8
291.10129	23.0
292.07401	2.2
292.10632	2.1
293.11642	13.1
294.09464	1.7
294.12375	7.4
295.09637	7.9
295.13321	3.8
297.11243	7.8
305.08203	2.9
305.11700	48.3
306.12448	24.7
307.09625	12.7
308.10056	1.9
309.11273	2.3
310.11932	24.3
311.13000	2.5
321.11227	1.6
322.11926	11.4
323.12756	7.7
325.10730	2.7
325.14322	30.6
327.15915	2.2
337.14337	78.2
355.11819	2.3
355.15387	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	355.1542
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
70.79580	1.6
70.79891	1.5
71.05005	1.6
71.44112	1.1
77.03913	1.2
79.05506	2.0
81.07047	1.9
85.55723	1.3
91.05492	12.6
93.07053	2.2
94.04195	2.3
103.05481	4.5
105.07040	1.9
107.04950	4.9
107.06463	1.2
109.06524	2.8
113.72275	1.3
115.05452	6.4
117.07018	9.6
119.04937	4.1
121.05676	2.0
121.06525	34.7
121.07384	2.1
122.03674	6.4
122.04415	1.1
129.07021	3.4
130.04158	1.1
131.04947	9.4
132.05682	1.2
133.02855	1.9
133.06483	3.3
134.29906	1.1
135.04443	2.0
136.05203	5.9
137.05988	73.6
143.04933	2.0
144.05721	1.6
145.06491	11.6
146.07274	43.4
147.04419	4.1
147.08075	6.0
148.05299	1.3
149.06001	42.2
149.09637	2.3
151.03976	1.2
151.07558	56.2
153.05444	1.4
157.06502	5.4
158.07246	2.8
159.08095	3.5
160.05168	2.3
161.06010	5.6
162.06792	10.1
163.03873	1.6
163.07552	3.5
165.05495	15.3
165.09148	4.0
167.07094	1.2
171.08000	1.4
172.05150	1.8
172.08858	1.9
173.05971	3.1
174.06752	4.2
175.07593	8.8
177.05519	27.8
177.09123	81.5
178.06274	1.8
179.07043	12.2
181.06409	1.5
186.06909	1.5
187.07574	12.6
188.08357	5.2
189.09129	10.7
191.07043	3.1
191.08629	1.7
191.10704	1.3
193.08646	3.3
198.06718	1.5
199.07530	1.3
201.09135	21.2
202.07912	2.9
203.08626	3.4
203.10725	6.0
204.09343	2.0
210.06664	2.7
211.07544	5.7
213.09207	2.7
215.08603	1.8
217.08592	4.5
218.07390	2.0
219.08089	6.7
219.10074	2.2
220.08891	4.5
221.09570	1.6
225.09135	5.1
226.06302	2.2
227.07042	3.3
231.08057	7.7
231.10229	6.1
232.08731	1.5
233.09631	5.3
235.07549	2.2
235.11255	5.8
239.07072	4.5
241.08618	13.6
243.08000	1.2
244.08980	1.6
245.09645	9.1
246.10480	7.5
247.07556	7.9
248.08321	3.9
249.09117	2.1
251.10895	2.0
253.08633	3.8
254.09375	14.9
255.06616	6.9
255.09607	1.3
259.07684	2.8
260.08298	2.2
261.09195	8.9
262.09915	9.2
263.07095	1.8
263.10699	13.1
264.07782	2.9
264.11447	1.5
267.10147	2.6
269.08145	9.9
270.08847	9.8
273.09134	7.8
274.09872	15.3
275.07031	1.9
275.10693	6.0
276.07803	2.3
277.08777	3.2
277.12259	10.9
278.09427	1.8
279.10202	5.2
280.10953	1.9
282.09027	1.9
284.10449	20.9
285.11227	27.2
289.08768	1.8
290.09348	13.6
291.10184	20.5
293.11761	4.6
294.12518	2.8
295.09698	3.7
295.13232	18.3
297.11301	7.7
305.11728	100.0
306.12488	23.4
307.09677	7.9
309.11044	1.8
310.11938	7.6
311.12653	1.8
321.11081	2.3
322.12064	11.4
323.12796	33.4
325.14389	9.3
327.16171	1.9
329.38098	1.5
337.10278	2.3
337.14377	51.2
355.15430	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1541
Annotation	3'-Methoxyglabridin
Peak:m/z	Relative Intensity
55.01878	1.1
67.13449	0.6
69.03439	1.0
69.83719	3.0
76.93980	0.6
77.03919	0.7
77.70586	0.6
78.04714	1.5
79.05484	2.9
79.17616	0.6
91.05487	7.7
98.20692	0.7
103.05475	1.9
104.06279	1.0
105.07043	6.4
106.04187	1.0
107.04995	3.2
109.02882	1.1
115.05460	6.4
117.07019	6.2
118.04168	0.8
119.08588	7.4
121.06493	2.2
121.21313	0.6
123.04446	2.9
124.05248	0.8
128.06215	2.7
129.07013	6.8
130.12924	0.6
131.04948	2.4
132.05734	6.8
133.06508	5.9
134.03641	0.7
135.04352	1.1
137.05994	6.3
140.40613	0.7
141.07007	11.2
143.06023	0.8
145.06465	3.5
146.07274	2.8
147.08058	20.7
149.06010	3.6
151.07552	3.9
152.04672	0.8
157.06540	1.2
158.07327	1.9
159.08090	1.3
160.05214	4.7
161.05975	9.8
162.06805	0.7
163.03934	0.8
164.66846	0.8
165.05463	1.6
167.07051	47.9
168.07281	1.2
169.06511	15.8
170.07222	0.8
174.06754	1.1
175.07559	100.0
176.04669	1.0
176.07935	1.0
177.05461	1.2
177.09105	4.8
186.06886	1.1
187.07573	2.0
189.09148	4.1
190.00172	0.8
191.07036	3.6
193.04964	0.9
193.08629	26.1
201.05475	2.2
201.09135	7.2
203.08521	0.7
203.10503	0.7
214.62442	0.7
219.08064	1.0
220.08873	1.1
225.09131	1.0
231.08066	1.7
231.10101	1.1
235.07510	1.0
235.11082	0.9
241.08586	2.0
245.09575	1.2
248.08224	0.9
254.09422	1.3
259.07562	1.2
261.09348	0.9
262.09842	1.1
263.10910	1.7
274.10019	1.1
279.06638	0.6
279.10062	0.7
284.10516	3.0
285.11224	2.3
291.10086	3.0
293.08420	0.9
295.09698	0.8
295.13239	1.8
305.08487	1.1
305.11752	5.9
306.12485	0.8
309.11304	0.9
322.12064	0.9
323.12766	3.4
324.13437	1.1
325.10455	0.8
325.14590	0.8
337.10831	0.9
337.14392	4.4
355.15396	36.7
356.15778	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.154
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
53.03935	2.1
55.01848	2.6
63.24807	1.9
69.07071	2.1
71.04945	4.0
71.52225	2.0
71.52586	2.2
79.05444	6.3
81.03387	2.1
85.02836	2.4
89.03861	5.1
91.05476	12.1
91.95683	1.7
93.07010	4.0
94.04153	2.6
95.04935	2.5
97.06476	4.2
103.05429	5.4
105.06976	6.6
107.04965	10.2
107.08574	2.6
108.05694	2.5
109.06487	3.2
111.08005	1.9
115.05384	4.6
117.03369	9.2
117.06956	7.7
119.04858	2.5
119.08526	5.3
121.06500	22.3
122.03568	7.7
124.05170	2.3
128.06161	3.0
129.07025	11.7
131.04842	7.6
131.08580	2.4
132.05646	3.4
133.06429	3.8
135.04425	18.7
135.07945	2.1
136.05113	8.8
137.05974	95.6
139.07468	2.4
141.06880	6.6
143.08456	2.5
144.05637	3.7
145.02850	15.8
145.06502	11.3
146.07246	22.1
147.04324	6.6
147.07954	8.8
148.05121	2.1
149.05991	24.4
151.03825	3.8
151.07547	100.0
155.05969	2.6
157.06485	9.6
158.07213	4.6
159.07954	3.0
159.80949	2.1
160.05115	5.6
161.05878	7.6
162.02835	2.0
162.06682	5.2
163.03906	98.8
163.07428	3.9
165.05453	10.2
165.09044	6.4
167.06990	15.1
169.06412	4.1
171.07993	2.8
172.05096	7.9
172.08768	2.8
173.05940	5.2
174.06755	15.1
175.07547	46.7
177.05492	15.8
177.09108	45.3
179.07066	11.6
181.06456	3.1
185.05901	2.4
186.06734	2.4
187.07542	34.3
188.08153	8.7
189.07266	2.7
189.09077	21.9
191.06927	4.3
193.04895	3.0
193.08633	11.1
198.06598	2.3
199.07465	4.7
201.05482	9.9
201.07350	2.4
201.09087	36.0
202.07716	3.0
203.08539	4.0
203.10544	9.3
210.06659	4.2
211.07372	6.3
213.08942	4.3
215.08389	2.1
217.06618	2.2
217.08586	25.2
218.07062	3.2
219.07889	8.1
221.09467	3.7
225.08963	3.3
226.06061	6.2
227.06892	4.6
230.07162	2.6
231.07887	7.3
231.10019	13.8
233.05843	2.1
233.09587	9.4
234.06519	2.4
235.07372	4.1
235.11017	2.9
239.06920	6.8
241.08604	31.1
244.08496	2.3
245.09430	6.4
246.10199	8.1
247.07608	12.2
248.08185	6.1
249.08960	3.1
251.10545	6.6
252.07620	2.1
253.08485	4.1
254.09406	16.0
255.06291	4.9
259.07330	3.4
261.09106	14.7
262.09921	13.8
263.06845	3.0
263.10416	14.8
264.07523	2.7
264.11526	3.1
265.08426	3.9
265.11905	3.6
267.10059	3.9
269.08087	24.5
270.08853	10.4
273.08780	7.8
274.09897	13.9
275.07040	4.3
275.10413	7.6
276.07700	3.8
277.08420	8.8
277.11890	11.0
278.09290	3.0
279.10114	11.8
280.07077	2.4
280.10760	2.3
282.08795	1.9
284.10440	62.9
285.11258	28.3
290.09378	13.6
291.07251	2.7
291.10132	33.2
293.11664	8.9
294.12155	6.1
295.09436	6.8
295.13080	12.4
297.11322	10.8
305.11716	72.5
306.12491	38.8
307.09607	13.8
309.11066	3.4
310.09097	2.2
310.11963	18.5
311.12613	4.2
321.11069	3.3
322.12067	12.6
323.12732	18.3
325.10895	2.2
325.14331	20.4
327.12042	2.9
327.15738	3.6
337.14325	84.2
355.15179	82.7
356.15826	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	356.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01860	0.8
56.96342	0.6
56.96568	5.8
57.03426	1.5
61.02912	1.9
64.23444	0.5
66.68259	0.5
69.03436	3.9
70.16347	1.5
70.16734	1.1
73.02903	2.1
79.05494	4.9
81.03408	2.0
81.07041	1.5
84.96029	1.8
85.02906	6.4
87.00821	0.5
87.04458	1.5
91.05486	5.5
93.07027	1.2
95.04958	0.7
95.08598	0.9
97.02905	3.7
98.96942	1.0
98.97590	21.3
99.97930	1.7
103.05466	2.8
105.07030	6.4
107.04949	2.1
107.08567	1.2
109.02855	0.9
109.06499	1.6
110.97589	3.6
112.99162	0.8
115.05410	0.7
116.98637	5.0
117.03378	1.8
117.05769	11.6
119.04917	0.6
120.05341	0.5
120.08085	3.4
121.06485	1.9
123.06833	0.8
123.08079	0.8
127.03930	1.6
128.98599	2.3
130.06537	2.7
131.04884	0.6
131.07317	1.4
132.08096	17.7
133.05249	4.5
134.99649	0.7
135.04408	4.1
136.07529	0.5
137.05984	8.5
137.08344	2.2
138.06351	1.4
138.09100	0.6
140.98584	0.9
143.00223	0.9
144.98146	0.6
145.02840	2.7
145.04979	1.5
145.06561	0.5
146.07295	0.6
146.99686	0.7
147.02994	0.6
147.04456	0.6
147.06723	3.0
148.07581	36.9
149.05937	0.8
150.05492	6.4
150.06517	0.8
150.09138	1.6
151.07571	1.3
152.07939	0.6
152.98576	0.6
158.99684	5.5
159.99957	0.7
160.07602	6.9
161.01172	0.6
163.03906	19.3
164.04247	3.1
164.07027	1.6
166.08656	9.9
166.43292	0.5
168.05466	2.7
170.99660	1.1
172.05672	1.3
176.07079	47.9
177.00752	2.3
177.05843	1.8
177.07550	0.6
177.09134	1.2
180.05443	1.9
181.06250	0.6
182.99631	0.5
187.04405	1.4
189.00638	0.6
189.05949	1.7
190.06767	0.6
191.05852	0.6
194.08134	41.9
194.11752	2.7
201.00681	1.5
202.09531	0.6
204.24727	0.6
211.02791	1.2
219.01820	4.6
219.37642	0.5
220.02184	0.9
229.03723	0.8
235.02612	0.7
237.02544	2.4
238.03285	0.7
246.98088	0.7
248.07854	0.7
249.08336	0.6
253.03920	0.7
254.04279	1.5
266.09146	1.0
270.08591	1.9
285.10709	1.7
286.11520	1.0
306.12100	2.7
323.12186	0.9
324.13065	1.0
338.14682	1.7
347.11868	1.0
356.13382	100.0
357.08585	3.3
357.13654	1.4
359.10178	0.8
373.07849	1.1
374.08389	5.6
375.09576	2.3
377.11227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1336
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
53.03939	0.6
56.88600	0.4
67.05493	0.9
69.31188	1.4
69.31602	2.9
79.05502	0.8
81.07055	1.6
89.03971	0.5
91.05474	1.8
94.04180	2.9
95.08633	0.7
102.04703	1.1
103.05495	2.4
107.04949	1.4
109.06532	2.1
109.10155	0.8
115.05473	1.6
117.03430	0.5
117.07018	1.2
119.04942	0.5
121.06541	0.6
122.03662	8.0
127.03963	0.6
128.06265	0.8
129.07043	1.7
130.04149	3.9
131.04939	4.7
131.08537	0.5
133.06526	0.7
135.04417	0.7
137.05994	100.0
138.06310	1.2
143.04980	3.5
145.02875	1.0
145.06506	1.6
146.03629	0.6
147.04433	6.0
149.06009	2.0
151.03940	8.4
151.05060	1.0
151.07600	2.1
157.06511	1.0
159.04440	0.7
160.05229	0.7
161.05989	3.0
162.06783	14.6
163.07552	3.1
165.05583	2.6
165.06842	0.5
172.05237	1.5
174.06833	2.6
175.04016	0.6
175.07561	4.9
177.05540	2.5
181.05048	0.6
187.07611	3.9
189.05490	1.8
189.09138	3.5
190.07797	1.0
191.08607	2.3
203.07043	1.1
204.13271	0.5
205.06865	0.5
205.08632	11.2
207.08095	0.7
215.07066	2.1
218.07368	1.1
219.08102	5.2
231.08269	1.0
233.07974	5.8
233.10092	0.6
235.07553	1.2
246.06833	1.4
247.07654	2.6
249.08978	0.7
251.10751	0.9
261.09149	2.6
263.07074	1.4
264.07870	0.8
275.07095	1.0
277.08578	1.1
278.09387	1.2
279.10245	2.6
285.10294	0.6
289.08716	0.9
291.06451	1.3
292.10931	0.7
293.08719	0.6
293.11749	3.1
297.02917	0.6
306.09003	2.3
307.09668	6.5
308.10489	1.1
321.11255	6.4
324.10062	0.6
325.10544	0.8
327.12329	6.1
339.12292	8.8
357.13364	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1333
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
55.01871	0.5
65.03951	0.6
67.05498	0.7
70.15292	1.4
70.15699	1.0
79.76381	0.5
81.03422	0.5
81.07031	0.8
81.83340	0.5
91.05460	0.6
94.04179	1.2
115.05502	1.2
117.07060	0.7
122.03672	5.5
131.05016	0.5
137.05992	100.0
138.06360	0.8
141.05441	0.6
143.04942	4.9
151.03929	22.4
151.05035	1.9
151.07570	1.0
175.07571	2.0
195.69112	0.5
203.07179	1.2
205.08585	2.9
218.07503	0.5
247.07452	0.6
299.45883	0.5
321.11203	1.6
327.12256	11.8
339.12399	1.5
357.13373	26.4
358.13751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Horsfieldin
Peak:m/z	Relative Intensity
53.03945	0.5
55.01871	0.5
60.29565	0.3
65.03951	0.6
67.05493	0.5
70.29118	0.8
79.05485	0.5
81.07050	0.4
91.05502	0.5
94.04201	2.4
98.21420	0.5
108.02099	0.9
115.05443	1.0
117.07018	0.9
122.03645	7.3
137.05981	100.0
138.06322	0.6
143.04929	6.8
151.03918	23.8
151.05017	1.8
165.05432	0.7
175.07578	1.6
203.07031	1.4
205.08638	2.3
261.09253	0.6
311.12927	0.5
321.11334	2.0
327.12280	13.9
339.12296	1.4
357.13333	37.2
358.13672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1333
Annotation	Horsfieldin
Peak:m/z	Relative Intensity
51.02397	0.2
55.01865	0.3
70.55606	0.5
79.05495	0.4
81.07056	0.4
91.05480	0.4
94.04189	1.9
95.04994	0.2
110.47012	0.2
115.05461	0.8
115.49303	0.2
117.07013	1.1
122.03652	4.7
134.57045	0.2
137.05981	100.0
138.06326	0.7
143.04932	5.8
145.06451	0.6
147.91830	0.2
149.24954	0.2
151.03915	14.0
151.05013	1.1
161.03635	0.2
175.07550	2.0
191.07031	0.3
203.07043	1.7
205.08604	2.7
231.43213	0.2
245.32634	0.2
327.12274	12.5
328.12711	0.2
357.13333	30.6
358.13632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1336
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
50.36222	0.7
50.93103	0.6
53.03909	0.7
55.01880	5.3
65.03933	2.3
66.04741	0.7
67.05508	1.3
69.67403	4.1
79.05508	3.8
79.05904	0.9
81.03423	1.0
81.07062	2.8
83.08635	0.7
83.19463	0.9
85.02943	0.7
91.05499	3.4
91.48871	0.6
92.60046	0.7
93.03397	2.0
93.07065	1.3
94.04192	3.2
95.04982	0.9
95.91804	0.8
97.06568	1.0
103.05460	2.2
105.03394	0.9
105.07021	1.9
107.04961	2.1
107.08620	1.7
109.02875	0.8
109.06552	1.8
111.04444	1.4
115.05488	3.0
115.68811	0.6
116.07088	0.8
117.03400	1.1
117.06973	1.0
119.04951	2.5
120.32842	0.6
121.06506	1.4
121.10110	0.8
122.03658	9.4
123.04399	1.2
125.05984	2.3
130.04138	0.7
131.04942	2.3
133.06439	0.8
135.04372	0.9
137.05988	100.0
138.06326	1.1
143.04939	6.7
144.05701	1.5
145.02782	1.2
145.06494	1.6
146.03616	1.7
147.04434	5.7
147.08049	1.0
149.05977	3.0
151.03920	27.8
151.05029	2.4
151.07535	1.4
153.05464	7.9
155.04924	1.2
155.06105	0.8
157.06517	1.0
159.39417	0.7
160.05220	1.2
161.05965	6.5
162.06735	1.1
163.03966	1.2
163.07533	1.1
165.05508	11.5
165.06866	1.6
167.07123	1.2
171.04428	1.3
172.05231	1.6
173.06036	0.9
175.07576	5.8
177.05524	6.1
177.06973	1.1
177.09091	0.8
178.07814	1.1
179.07072	2.0
179.08583	1.6
183.04417	1.3
185.05988	1.4
187.07581	2.6
189.07016	2.7
190.07834	3.1
191.07037	1.4
191.08607	4.3
193.06534	0.7
200.04700	0.8
202.07793	1.7
203.07062	6.7
203.08727	1.0
205.06551	1.4
205.08548	1.7
206.07262	2.2
207.08098	2.5
208.08847	1.1
211.07666	0.9
215.06982	5.3
217.06572	1.6
218.07297	5.1
219.08118	7.2
220.08711	1.0
221.06073	1.1
222.06818	1.2
223.07611	1.2
224.08499	0.8
229.06560	2.2
233.06128	0.9
234.06775	2.7
235.07532	4.9
236.08337	2.6
240.07980	0.9
246.06758	4.2
247.07568	8.7
248.08359	1.9
249.09103	3.9
250.06213	1.0
251.07062	1.9
251.10768	1.3
252.07826	1.0
253.08752	1.1
257.06046	1.9
261.09100	6.7
262.06305	1.7
263.07047	4.5
264.07852	4.2
265.08603	1.7
267.10202	1.7
269.08096	1.6
274.06357	2.0
275.07025	3.6
276.07782	1.0
277.08633	6.7
278.09256	3.3
279.06812	1.3
279.10202	5.4
281.08133	1.0
289.08597	10.5
290.09314	1.3
291.06625	1.6
292.07217	1.6
294.08798	1.8
295.09683	2.3
297.11417	1.4
306.08936	2.8
307.09644	19.9
308.10217	1.0
309.11224	5.1
311.12698	1.6
321.11221	17.9
324.09842	1.0
325.10492	1.4
327.12286	15.7
339.12299	15.0
357.08960	1.6
357.13354	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	357.1334
Annotation	Horsfieldin
Peak:m/z	Relative Intensity
53.03956	0.3
55.01868	0.4
62.52806	0.2
65.03932	0.6
66.04716	0.3
67.05486	0.4
69.36390	0.9
69.36803	0.9
76.92061	0.2
79.05482	0.6
81.03420	0.5
81.07064	0.4
91.05480	0.6
94.04194	2.2
94.81496	0.2
107.04958	0.3
108.02097	0.3
109.06493	0.4
110.42789	0.2
111.04391	0.2
115.05466	1.1
117.07043	0.8
120.18877	0.2
122.03651	6.4
128.33060	0.2
129.07059	0.4
137.05983	100.0
138.06291	0.8
141.05450	0.4
143.04935	6.3
145.06479	0.5
151.03914	19.8
151.05023	1.7
157.06476	0.5
161.06001	0.4
165.05511	0.6
175.07573	1.8
177.09216	0.3
187.07648	0.4
189.09111	0.3
190.06174	0.3
203.07033	2.4
203.74863	0.2
205.08578	2.8
264.07816	0.3
265.08496	0.3
289.08575	0.3
307.09784	0.7
311.12921	0.3
321.11255	0.9
327.12262	11.7
328.12671	0.3
339.12411	1.1
346.36761	0.2
357.13342	25.5
358.13647	0.4
377.17740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1333
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
51.02391	0.3
53.03957	0.4
55.01867	1.4
56.58118	0.3
58.89938	0.4
61.51891	0.3
64.02629	0.4
65.03947	0.9
67.05502	1.2
68.63230	0.3
71.18497	0.7
77.03945	0.6
78.20000	0.4
79.05505	1.2
80.77740	0.4
81.03419	0.8
81.07039	0.7
91.05497	1.2
94.04184	2.9
95.04957	0.7
101.03857	0.4
103.05491	0.4
107.04975	1.0
108.02115	1.5
109.06540	0.9
113.98632	0.5
115.05466	1.6
117.07038	1.2
122.03654	7.2
125.06053	0.5
129.07019	0.7
131.04933	0.6
133.02859	0.4
136.01503	0.4
137.05989	100.0
138.06317	0.8
141.05475	1.1
141.70064	0.4
143.04935	5.9
144.05708	0.4
145.06488	0.8
149.05989	0.6
151.03922	62.2
151.05023	5.3
152.04285	0.4
157.06514	1.1
159.07881	0.4
161.05998	0.8
163.03967	0.6
165.05490	1.7
167.07060	0.6
175.07565	2.6
177.05481	0.6
177.09134	0.6
187.07509	0.4
189.09111	0.9
195.06541	0.8
203.07063	2.0
205.08582	2.6
215.07068	0.8
218.07234	0.5
219.08054	0.9
246.06618	0.7
247.07512	0.8
261.09171	1.4
277.08743	0.5
279.10254	0.8
284.10477	0.8
289.08569	2.0
297.11298	0.7
306.08875	1.1
307.09616	1.2
311.12888	1.5
321.11285	8.1
327.12302	10.4
339.12305	6.5
357.13342	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
51.02389	0.7
53.03946	0.8
53.99363	0.5
55.01876	1.6
57.31128	0.5
61.27586	0.4
65.03933	1.7
67.05518	2.4
68.97858	0.5
69.31319	0.5
69.86866	1.7
77.03912	0.5
77.92973	0.5
79.05489	0.7
81.07043	0.9
85.02917	0.9
91.05494	1.0
94.04200	2.6
95.04960	1.0
95.08594	0.6
97.93169	0.5
103.05524	0.7
105.04541	0.6
107.04968	1.5
108.02081	1.6
109.02864	0.8
109.06528	1.7
111.04450	1.2
115.05474	1.4
117.07039	0.9
118.09471	0.6
122.03653	8.5
123.04431	0.6
133.07489	0.5
134.68494	0.5
135.04419	1.1
137.05984	90.2
138.06326	1.0
141.05469	2.1
143.04948	4.0
145.06473	1.0
151.03917	100.0
151.05026	8.9
152.04254	1.0
155.04779	0.6
157.06549	0.6
161.06000	1.2
162.06752	0.8
163.03969	0.7
163.07588	0.8
165.05505	3.4
167.07056	1.2
170.67873	0.5
175.07527	2.7
177.05534	1.0
177.09213	1.1
187.07593	1.1
189.05423	0.9
189.09172	1.5
191.06984	0.9
191.08559	0.6
195.06586	0.6
203.07053	1.1
203.49298	0.5
205.08658	3.1
207.08134	0.7
215.07166	0.8
218.07375	0.8
219.08168	1.8
233.07959	0.9
235.07599	0.7
246.06764	1.6
247.07559	1.8
251.10736	0.5
261.09082	3.5
263.07233	0.8
264.07651	0.8
265.08597	1.1
269.08206	0.9
274.06241	0.8
275.07019	0.8
278.09561	0.5
279.10052	2.4
284.10651	1.0
289.08569	3.4
291.06543	0.8
293.11765	0.8
297.11261	1.0
298.06000	0.5
306.08887	2.6
307.09674	2.3
309.11273	1.2
311.12906	2.9
321.11200	13.3
325.10767	0.8
327.12210	4.3
339.12289	12.4
357.08917	1.3
357.13342	23.0
378.45804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
54.47545	0.9
55.01863	2.9
56.96566	53.7
57.03429	4.7
61.02932	12.0
67.05502	3.4
69.03138	1.2
69.03436	13.1
69.75311	6.4
70.06576	1.6
70.98112	3.1
71.04993	2.3
71.95261	1.8
73.02923	8.5
74.97632	2.2
79.05495	9.2
81.03413	3.1
81.07043	2.0
83.04984	1.3
84.08180	1.3
84.46566	1.1
84.96035	4.8
85.02911	24.9
87.04442	2.7
91.03925	2.5
91.05470	2.7
93.07044	2.7
94.04173	2.7
95.04961	2.1
95.08585	2.2
97.02888	11.6
97.06505	1.2
98.97591	72.9
99.04457	2.2
99.97945	1.7
101.00901	1.5
103.05449	3.4
105.00153	17.9
105.07051	1.9
107.08589	5.1
109.02874	2.8
109.06487	2.8
110.01260	1.5
110.97560	7.1
112.99126	7.7
113.00877	1.5
115.00650	1.5
115.02444	1.2
115.03901	1.7
116.98629	27.7
117.02044	1.5
119.00188	1.4
119.01852	5.1
121.06548	5.8
122.03652	4.2
123.01210	15.6
123.08167	1.9
124.99120	4.3
127.00691	2.4
127.02426	1.7
127.03916	7.6
128.98578	6.3
131.00162	4.5
131.01877	2.2
131.04948	8.0
132.99565	2.3
134.99684	9.0
135.01224	3.1
135.03134	3.1
135.04396	2.0
137.05983	100.0
137.98297	1.1
138.02556	1.5
139.00735	2.7
139.07550	1.7
139.78462	1.1
140.98647	6.7
141.02188	4.9
142.96487	1.9
143.00185	7.0
143.01883	3.3
144.03531	1.2
145.01730	1.9
145.04935	4.5
146.99693	2.0
147.01334	1.3
147.03098	4.9
149.05997	1.8
150.01794	1.7
151.00690	3.4
151.07561	2.1
153.00845	0.9
153.02190	5.6
155.01880	2.3
156.03560	2.0
157.03552	1.7
158.99678	11.2
159.00990	1.9
160.98962	1.1
161.01260	3.5
161.02805	11.0
163.03963	4.2
163.07516	6.1
164.04231	1.6
164.06885	3.4
165.02196	1.5
167.00175	2.1
167.03755	3.2
167.06966	1.6
168.03645	1.9
169.01682	3.9
169.03444	3.8
169.99779	1.1
170.99617	2.6
171.03296	3.8
172.05701	2.3
172.97520	1.3
173.01291	1.5
173.02791	1.3
174.99142	2.8
175.07503	1.4
177.00699	4.3
177.02258	10.1
177.05487	1.7
179.00136	9.2
179.03749	29.9
179.07016	1.6
180.05388	1.6
181.01862	1.4
182.03296	1.4
183.03242	2.5
185.01294	2.8
185.02898	1.7
185.04819	4.6
185.06516	1.6
187.02800	1.5
187.04387	2.2
188.05180	15.4
189.00716	2.2
189.05899	1.5
190.98677	2.1
191.02309	1.3
191.03882	4.8
193.01851	1.7
195.03291	11.9
197.01204	33.5
197.04663	13.7
198.06555	1.7
200.04451	5.4
201.00671	3.0
201.04280	6.6
203.02298	5.9
203.03883	1.6
205.01773	3.0
209.01402	1.6
211.02837	2.9
213.00925	1.4
213.04462	6.9
215.02255	30.4
215.04092	2.2
215.05887	4.3
219.01819	6.3
220.02339	3.3
220.04311	5.4
221.03265	3.4
221.05132	2.1
223.02754	21.7
226.02359	1.3
226.52586	2.2
229.04727	2.1
231.05397	1.9
231.08073	2.3
232.99594	2.2
233.03432	1.2
233.06966	1.5
235.02681	1.6
235.52943	1.7
236.03076	2.3
237.02629	5.8
239.02245	3.9
239.05777	2.0
239.07866	2.3
241.03850	54.2
244.57135	1.9
251.04416	2.2
255.05405	5.3
257.03235	1.3
259.04880	26.0
259.07590	1.8
260.07437	2.0
261.02866	2.4
262.08777	2.1
263.10532	2.6
265.03845	12.8
268.57034	2.0
269.03357	2.1
269.07953	9.4
272.06537	3.9
273.06427	3.6
278.08447	14.7
279.03738	1.8
281.06940	1.4
281.57156	1.1
283.04904	37.2
285.02869	2.0
291.10220	6.6
292.05048	1.3
299.04413	3.6
301.06009	7.3
305.11798	3.1
315.07571	3.5
323.12784	3.3
327.03876	4.1
341.13840	4.5
359.10553	10.6
360.11511	1.2
375.09717	1.9
379.12927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56057	3.6
63.65767	3.6
70.16290	14.4
70.16661	4.3
85.02872	4.2
95.62447	3.3
98.97587	8.7
135.53972	3.2
137.06009	7.2
158.99678	4.7
253.36896	3.5
269.07840	7.5
306.75082	3.1
319.86075	3.5
328.91785	3.8
359.06818	6.0
359.11020	100.0
379.16931	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	359.149
Annotation	Prestegane B
Peak:m/z	Relative Intensity
64.28945	0.3
65.03921	0.4
66.04751	0.3
67.05479	0.3
69.42007	2.3
69.42414	0.6
79.05482	1.0
81.07059	0.3
91.05469	1.3
94.04181	3.2
99.68846	0.3
103.05470	4.7
105.07030	0.5
107.04982	1.6
109.06517	0.6
119.04925	0.4
121.06525	0.8
122.03654	8.1
128.06213	0.3
129.07022	0.9
131.04941	9.8
133.06485	1.3
135.04385	0.5
135.08054	0.4
136.05109	0.3
137.05984	100.0
138.06342	0.7
145.06500	0.8
147.04440	1.0
147.08081	0.9
149.06026	1.6
151.03888	0.8
151.06442	0.5
151.07565	5.7
157.06470	0.6
159.08112	0.3
160.05249	0.3
163.07571	5.8
165.05493	1.1
174.06825	0.5
175.07555	0.9
177.05496	0.8
177.09116	1.9
179.07025	0.7
189.09090	0.8
191.07014	0.6
191.21477	0.3
198.85298	0.3
202.07785	0.6
203.08618	1.7
205.08691	0.6
223.09731	1.1
231.08083	1.2
232.08842	0.4
232.78499	0.4
236.74368	0.3
248.08403	0.9
259.07611	0.7
260.08536	0.6
263.10672	3.4
276.07904	0.4
277.08865	0.4
281.11838	0.5
291.10193	5.9
305.11615	1.8
323.12842	5.0
341.13858	6.2
341.17542	0.6
359.14786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	Negundin B
Peak:m/z	Relative Intensity
51.69827	2.2
62.88803	2.1
69.82138	2.1
71.04992	2.7
71.17870	3.3
71.18207	3.8
79.05452	2.6
81.07073	2.5
87.92833	2.2
103.05443	4.1
105.39764	2.1
119.04910	3.7
122.03587	7.0
129.07007	5.2
131.04929	7.4
137.05981	100.0
147.04404	2.6
151.03918	7.2
157.06464	4.0
160.05215	5.2
172.05167	5.4
174.06827	4.6
175.07556	25.7
179.07063	2.6
187.07539	36.0
189.09117	8.5
197.11732	3.0
199.07584	3.8
203.08643	4.3
207.08176	2.4
217.08598	8.8
219.08136	5.6
220.08664	2.5
227.07103	4.8
231.08022	6.1
247.07686	2.9
248.08282	2.6
255.06561	3.8
259.07562	3.2
263.10757	7.4
270.08951	12.4
271.09811	5.6
279.10147	6.3
283.09708	4.4
291.10135	18.6
295.22406	2.4
305.11667	2.8
311.12814	9.0
323.12784	20.6
341.13821	15.0
359.14999	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1489
Annotation	Negundin B
Peak:m/z	Relative Intensity
52.09103	2.6
54.36647	2.6
69.18478	18.1
69.18884	10.5
72.42973	3.0
72.73528	2.9
78.31450	2.8
88.70666	2.4
91.05456	4.5
103.05450	11.9
104.16500	2.4
119.04943	4.6
122.03651	5.1
129.07030	5.3
131.04938	24.0
137.05975	100.0
143.04956	3.1
144.05728	5.6
147.04344	5.0
147.75954	2.8
150.89064	2.7
151.03918	8.0
160.05183	8.3
161.06017	4.0
163.07503	5.9
172.05211	4.2
174.06776	6.1
175.07539	37.5
179.07098	4.2
187.07556	40.3
189.09062	12.5
195.25615	2.6
203.08595	6.0
217.08565	12.1
219.08095	5.9
227.06970	4.8
231.08015	7.9
247.07608	5.0
248.08342	4.9
251.10838	4.4
263.10645	7.6
267.82230	2.7
270.08902	12.9
271.09818	4.4
276.07953	6.0
279.10175	5.8
291.10141	16.0
293.07907	3.6
309.11063	3.0
311.12833	16.3
323.12808	16.6
324.13043	2.6
341.13779	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	359.149
Annotation	Negundin B
Peak:m/z	Relative Intensity
51.32082	3.6
63.56025	3.1
63.75549	4.3
65.51904	3.6
69.53733	13.9
69.54140	10.8
71.04980	3.3
71.93619	3.2
103.05521	4.7
109.02901	8.9
122.03642	12.9
129.07054	4.6
131.04973	7.7
137.05989	100.0
138.06316	6.9
151.03906	9.1
151.07574	7.5
159.06816	3.3
165.05496	17.6
165.06711	3.6
175.07574	12.4
179.07031	4.1
185.09904	3.1
187.07501	17.7
189.09100	3.5
203.08665	7.1
217.08662	5.3
219.08188	5.1
220.08893	4.7
227.07057	14.1
231.05661	3.2
231.08096	10.3
240.07826	12.2
248.08340	6.6
251.07253	4.0
253.08649	5.4
255.06494	12.7
260.07925	4.0
263.10504	8.9
270.08926	26.8
271.09583	9.8
276.07919	4.9
279.10056	3.9
281.11557	3.4
283.09589	8.9
291.10150	16.8
292.10858	4.5
297.11185	4.2
301.20200	3.9
302.19614	3.4
311.12726	3.7
313.10751	12.4
313.14130	3.5
323.12759	24.8
327.12256	8.5
341.13885	17.4
359.14780	23.5
359.23352	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	359.1488
Annotation	Negundin B
Peak:m/z	Relative Intensity
56.22143	0.3
62.23950	0.3
69.39624	0.8
69.40051	1.3
69.45207	0.3
79.05486	0.4
91.05476	0.7
93.62636	0.3
94.04185	1.7
97.37199	0.3
103.05468	3.2
107.04963	1.2
119.04942	0.5
121.06538	0.5
122.03650	4.2
129.07027	0.4
131.04941	9.9
135.04448	0.7
136.19484	0.3
137.05984	100.0
138.06300	1.2
139.06505	0.4
145.06500	0.6
147.04347	0.6
149.06026	1.5
151.03957	0.7
151.07552	1.2
157.06500	0.4
161.05989	0.4
163.07555	6.0
165.05508	1.4
175.07532	0.8
177.05482	1.2
177.09161	0.4
178.06279	0.5
179.07036	0.9
189.09116	0.9
191.07050	0.8
194.83597	0.3
201.08981	0.4
203.08612	1.6
205.08640	0.7
217.08618	0.5
223.09601	1.9
231.08112	2.2
248.08423	0.9
259.07605	1.1
260.08252	0.5
261.05322	0.3
261.09055	0.3
263.10663	2.7
276.07764	0.5
281.11646	0.9
291.10184	6.0
295.13330	0.5
305.11737	2.4
308.10480	0.4
309.11200	0.6
323.12787	6.4
323.42908	0.3
341.13837	7.6
359.14371	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1491
Annotation	Matairesinol
Peak:m/z	Relative Intensity
54.91383	0.3
55.68118	0.3
56.08102	0.3
56.49139	0.3
61.66294	0.3
69.50813	2.5
70.79623	0.3
75.40662	0.3
76.33910	0.3
81.07069	0.4
91.05498	1.0
94.04189	2.6
98.89098	0.4
103.05487	4.9
107.04943	1.6
109.06507	0.5
121.06512	0.6
122.03650	6.6
129.07045	0.6
131.04945	9.7
135.04404	0.6
137.05991	100.0
138.06326	1.0
145.06523	0.5
147.04478	0.6
149.06020	1.4
151.03880	1.5
151.07532	1.0
153.04514	0.5
157.06548	0.4
163.07549	6.5
165.05537	0.9
175.07568	0.6
177.05531	1.3
177.09077	0.4
177.69218	0.3
179.07002	1.1
189.09161	1.1
191.07034	0.5
202.07802	0.5
203.08569	1.5
205.08720	0.6
217.08604	0.5
223.09656	1.6
223.64044	0.4
231.08075	2.4
235.09514	0.4
248.08426	0.6
259.07584	1.2
263.10681	3.0
276.07916	0.4
291.10162	6.0
292.10727	0.5
295.13303	0.6
305.11731	2.3
309.11417	0.8
323.12796	6.8
341.13898	7.9
359.14716	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1489
Annotation	Matairesinol
Peak:m/z	Relative Intensity
51.78225	1.8
69.29691	16.6
81.07050	1.9
91.05464	2.0
91.90522	1.6
94.04166	2.8
94.39588	1.7
98.20723	3.5
103.05453	2.6
122.03667	5.6
131.04961	7.5
131.90782	2.1
131.97560	1.8
137.05991	100.0
138.06358	4.6
139.06570	2.7
151.03928	5.4
151.07529	6.2
163.07553	5.1
164.21951	2.2
165.05620	2.3
175.07504	6.3
187.07585	9.0
189.09045	3.3
203.08531	2.5
217.08630	3.3
227.07019	6.7
231.08080	3.7
240.07867	2.4
248.08423	5.0
253.08592	1.9
255.06615	6.9
263.10696	7.4
269.08026	2.5
270.08875	17.8
271.09653	7.3
276.07703	3.7
279.10187	3.4
283.09576	2.6
291.10120	12.4
293.08078	2.8
294.41495	2.2
296.39432	2.3
305.11777	2.9
313.14612	2.4
323.12741	16.4
341.13852	7.7
359.14737	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Matairesinol
Peak:m/z	Relative Intensity
53.03947	0.3
58.89080	0.2
59.67978	0.2
65.03938	0.3
66.04707	0.3
70.80218	0.5
77.03890	0.2
79.05506	0.7
81.07070	0.5
91.05466	0.7
94.04198	3.1
95.04968	0.3
96.89947	0.2
98.21528	0.2
103.04807	0.4
103.05469	5.2
105.38107	0.2
107.04956	1.2
109.06509	0.5
119.04921	0.5
121.06501	0.6
122.03654	7.7
129.07027	0.7
131.04932	9.6
135.04478	0.4
135.08041	0.3
137.05983	100.0
142.46674	0.2
145.06502	0.7
146.03676	0.3
147.04417	0.8
148.05208	0.4
149.05960	1.5
151.03947	0.6
151.07561	0.9
157.06488	0.6
163.07558	5.2
165.05457	1.2
174.06839	0.3
175.07578	0.9
177.05508	1.2
178.06262	0.4
179.07056	1.0
189.09189	0.4
191.07082	0.6
203.08609	1.3
205.08627	0.7
217.08601	0.7
220.08830	0.3
223.09666	1.2
231.08002	2.0
232.08849	0.5
247.07568	0.4
248.08365	1.0
249.09151	0.4
259.07562	1.0
260.08392	0.4
263.10690	2.9
273.09152	0.3
276.07971	0.5
281.11710	0.5
291.10159	6.8
295.13263	0.8
300.87015	0.2
305.11688	2.6
309.11298	0.6
323.12808	6.0
337.71884	0.2
341.13831	7.4
359.14957	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1491
Annotation	5-Deoxykievitone hydrate
Peak:m/z	Relative Intensity
53.34802	1.1
55.25996	1.2
59.97732	1.1
60.95471	1.1
67.45449	1.0
69.67138	6.3
91.05489	1.7
94.04192	2.5
103.05470	5.1
107.04976	2.0
112.17986	1.3
112.77059	1.5
113.32317	1.3
121.06480	1.7
122.03636	7.6
129.06976	2.0
131.04933	12.0
133.02817	1.2
133.06445	1.5
137.05992	100.0
138.06320	3.1
149.05957	2.1
151.03908	3.3
151.07532	4.8
163.07547	6.3
165.05478	3.5
174.06749	2.2
175.07550	4.8
177.05475	2.1
177.09113	1.9
178.21198	1.3
179.07025	3.5
187.07571	4.9
189.09099	2.4
203.08629	2.2
205.08638	2.3
211.07410	1.3
217.08611	1.9
223.09654	2.3
227.07008	4.6
231.08031	4.0
240.07761	1.5
248.08260	2.2
255.06511	4.1
257.65482	1.4
263.10724	4.2
270.08875	9.2
271.09586	3.3
281.08246	1.4
281.18353	1.3
291.10147	12.8
305.11725	2.7
313.10715	2.1
313.14188	1.8
323.12796	12.4
331.15643	1.5
341.10211	2.2
341.13647	8.8
359.14828	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	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
57.03440	1.0
61.02918	1.2
69.03416	2.5
70.46851	1.1
70.47253	1.3
73.02898	0.7
75.75581	0.6
79.05479	1.8
80.17145	0.5
81.03404	1.4
81.07031	1.5
82.51048	0.5
83.24262	0.6
85.02914	8.2
86.09737	0.7
91.05469	2.4
91.05980	0.6
93.07047	5.1
95.04972	0.5
95.08612	0.9
97.02878	1.6
103.05452	0.7
105.07036	5.3
107.08595	32.2
109.02885	0.9
109.06535	1.4
109.10154	1.6
119.04987	0.6
119.08577	4.9
121.06493	1.4
121.10139	4.9
122.03615	1.6
123.69729	0.5
124.55453	0.5
127.03921	1.1
131.04912	2.6
131.08577	0.9
133.10133	15.8
137.05980	21.0
138.06300	2.2
139.06544	0.8
139.07555	1.7
145.04926	1.1
146.07297	0.6
149.09610	3.1
151.03929	1.1
151.07542	1.1
151.11156	6.4
152.04317	0.8
153.22809	0.6
161.09637	5.9
163.07599	0.9
163.09854	0.6
167.10677	12.8
179.06973	0.6
179.10678	14.4
197.11739	100.0
198.12157	0.9
198.95090	0.5
212.06734	0.5
231.08040	0.7
263.10480	0.6
281.08157	0.9
291.10263	1.1
323.12961	0.7
329.12787	0.9
331.11804	0.8
341.10065	0.8
341.13843	1.5
359.14331	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01851	0.7
55.05524	0.8
59.04999	1.0
60.76066	0.6
61.02934	0.7
67.05493	1.3
67.52288	0.5
69.03423	2.3
69.56411	3.9
70.06593	0.8
72.08158	0.6
79.05493	1.9
81.03408	1.0
81.07057	1.4
85.02906	8.3
86.09711	0.8
91.05462	4.0
93.07047	5.6
94.04167	0.7
95.04964	2.1
95.08603	1.1
97.02879	1.9
99.96059	0.5
103.05463	3.6
105.07037	5.8
107.04958	1.4
107.08592	15.3
109.02919	0.7
109.06511	1.5
109.10152	1.2
115.05444	1.2
119.04961	1.1
119.08624	1.2
121.06507	1.9
122.02871	0.5
122.03666	3.4
123.04423	1.6
123.11727	0.9
127.03937	1.7
131.04927	7.1
133.10130	15.8
135.08058	0.8
135.11699	16.8
137.05983	50.6
137.09592	1.3
143.04921	0.6
145.04947	1.1
145.06592	0.6
147.04459	1.0
149.06010	0.9
151.11192	1.9
161.05937	1.2
161.09624	8.5
163.07555	2.7
163.68230	0.6
165.05487	1.1
167.07036	2.4
175.07510	1.2
177.05482	1.4
179.10683	31.8
189.07007	0.7
190.70862	0.6
197.11740	100.0
198.12125	1.5
203.08624	0.8
205.06674	0.9
207.08022	1.1
211.07628	0.9
221.06094	1.1
231.07994	1.7
235.07552	2.0
253.08501	1.1
255.06519	0.8
262.06479	0.8
263.07208	1.1
263.10565	1.1
281.08032	2.3
282.08789	1.0
291.10220	2.5
295.09711	0.7
305.11810	1.1
309.07578	0.6
313.10663	3.7
323.09177	2.0
323.12762	3.5
331.11890	3.1
341.10675	3.2
341.13327	3.3
359.11285	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1853
Annotation	Virolin
Peak:m/z	Relative Intensity
51.02391	0.5
53.03927	0.5
54.13436	0.5
55.01860	0.7
63.97105	0.4
71.52402	0.8
71.52775	0.5
79.05483	2.1
81.03391	0.5
81.07049	1.4
86.09688	1.4
91.05468	4.4
93.07000	0.5
94.04189	3.5
95.04955	0.7
103.05463	5.0
105.03409	0.6
105.07047	4.3
107.04967	6.1
108.05737	1.9
109.06509	1.2
109.67691	0.5
115.05463	1.6
117.07005	1.9
118.04149	0.6
119.04935	1.1
119.08556	0.5
121.06508	5.7
122.03654	8.5
123.08060	0.8
128.06181	0.7
129.07010	1.2
131.04926	8.1
133.06494	17.9
135.04395	2.1
135.08049	1.4
136.05199	4.7
137.05980	100.0
138.06339	1.2
139.07466	0.5
143.04950	0.7
143.08507	0.6
145.06473	2.8
146.07253	3.8
147.04422	0.5
147.08047	6.3
149.05962	1.7
149.09573	0.5
150.06755	2.3
151.07544	64.8
157.06477	2.3
159.08066	0.9
160.05244	0.9
160.08849	1.5
161.05942	1.3
162.06778	1.9
163.07550	8.2
163.27657	0.5
165.05473	1.0
165.09114	5.2
167.07072	0.7
171.08028	0.9
173.05948	0.5
174.06793	0.9
175.07536	2.1
176.08282	0.9
177.09116	20.9
187.07640	0.7
188.08296	0.9
189.09143	3.5
191.10634	1.2
201.09129	1.0
203.08739	0.9
203.10698	2.7
205.06592	0.6
217.12236	0.9
235.07564	1.0
253.08463	0.7
263.07144	0.6
263.10638	0.8
277.12317	0.7
278.13257	0.7
281.08154	0.8
291.10168	2.3
305.11832	0.7
309.14789	4.0
313.10745	1.9
323.09222	1.0
323.12723	1.2
326.15067	5.4
331.11804	1.8
341.10236	2.0
341.13879	2.2
341.17606	2.9
359.11371	1.3
363.05493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1108
Annotation	Kuanoniamine D
Peak:m/z	Relative Intensity
53.03930	0.6
63.19801	0.7
67.05483	0.9
69.03427	1.3
70.06573	1.1
71.50875	1.2
74.06099	1.0
79.05501	1.1
81.03403	0.9
81.07016	1.0
85.02892	2.5
86.09706	0.9
91.05487	2.3
93.07043	1.5
95.04971	1.1
109.02789	1.0
109.06550	0.8
119.04921	1.9
121.06494	3.7
123.08079	0.9
127.03931	1.5
131.04913	0.9
137.05974	5.0
138.06340	1.3
139.06549	0.9
139.07579	1.2
147.04446	1.4
149.06001	1.4
164.07060	1.4
165.05562	0.8
167.07104	7.7
173.59900	0.9
185.09674	0.7
193.05002	2.8
199.09676	3.1
211.06004	2.7
227.05257	1.3
275.11084	6.9
297.11398	0.8
299.11142	1.0
317.12085	34.5
361.11078	100.0
362.11237	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.126
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64906	1.5
69.72913	8.2
98.20852	2.6
114.83664	1.9
124.19810	1.6
172.52037	1.8
241.69203	2.2
301.92642	2.1
361.12546	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	10.7
57.03417	1.3
69.03414	2.5
69.50277	4.4
69.50686	2.5
70.98109	2.0
73.02910	1.5
79.05474	1.1
84.08150	1.4
84.96010	1.8
85.02884	4.4
91.05484	1.3
97.02886	2.0
98.97588	40.4
107.18415	1.1
110.97572	15.6
112.99118	3.6
116.98640	7.5
124.99133	1.8
127.03893	1.1
128.98607	7.4
130.93268	1.7
131.00159	1.7
137.05937	1.2
139.07411	1.0
140.98561	2.3
143.00134	3.4
144.98093	1.7
146.99689	1.2
148.03851	1.4
152.98666	1.3
153.02225	3.6
155.01866	1.1
158.99654	11.1
161.01254	1.6
162.99098	1.9
169.05374	7.2
170.99657	2.5
171.03311	5.5
171.67177	1.2
172.97481	1.2
177.00696	4.0
183.05122	1.0
185.02902	1.1
185.04898	1.2
187.06378	5.6
187.07967	1.4
189.00761	1.6
189.04303	2.4
198.56728	1.7
199.06450	4.9
200.02206	1.6
201.00739	3.3
213.04285	5.3
217.07436	2.2
219.01773	20.2
231.05382	4.7
232.93382	1.1
237.02792	10.3
237.44368	1.1
241.07487	2.8
259.08469	3.4
273.06586	1.4
277.09702	1.6
301.09567	1.2
314.47324	1.0
351.61118	1.2
361.12354	100.0
362.12811	1.4
379.12735	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	361.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69236	0.6
53.03941	1.1
55.01863	1.5
59.49281	0.6
61.02905	0.9
67.05488	1.7
69.03411	2.9
69.90004	3.1
70.06568	0.8
71.05018	0.8
74.88671	0.6
79.05493	8.5
81.03402	1.9
81.07053	2.3
83.04992	1.5
85.02904	4.5
91.05482	5.2
93.06497	0.8
93.07046	14.0
95.04966	2.2
95.08607	0.8
97.02893	1.2
97.06520	1.1
98.20829	0.8
103.05405	1.1
107.04959	1.9
109.02863	1.2
111.08096	1.2
119.12708	0.6
121.06509	19.7
123.08089	7.9
127.03887	2.6
131.04839	0.6
137.05971	4.1
139.07552	16.8
139.08638	1.0
140.04659	1.2
147.04358	0.7
149.05977	12.5
150.71123	0.7
163.07578	0.8
167.07040	100.0
168.07355	1.1
185.08086	1.5
199.09653	31.0
361.17694	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1494
Annotation	Junipediol A 8-glucoside
Peak:m/z	Relative Intensity
51.32631	0.6
53.03939	2.2
55.01873	1.3
55.05500	0.7
57.03429	0.7
61.02919	0.8
67.05511	1.3
69.03416	2.4
69.39421	4.8
70.06599	4.8
70.24756	0.6
73.02916	0.6
77.03906	0.7
79.05496	9.8
81.03412	3.4
81.07033	2.3
85.02905	4.1
89.34312	0.7
91.05472	4.7
93.06486	1.2
93.07047	15.0
95.04955	1.7
97.02897	1.9
97.06522	0.7
103.05494	0.9
107.04934	1.9
109.02871	1.2
111.08079	2.1
114.05526	2.8
115.43156	0.7
116.07111	1.8
121.06512	20.6
121.07391	1.4
123.04405	0.9
123.08087	6.9
127.03884	3.8
137.05948	3.9
139.07545	16.6
149.05972	11.3
163.07607	0.6
164.07088	4.6
167.07045	100.0
168.07431	0.9
185.08110	1.9
199.09656	30.0
361.17606	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1646
Annotation	Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether
Peak:m/z	Relative Intensity
51.41601	2.6
53.03945	6.2
55.05507	5.7
67.05505	5.5
69.07067	7.5
69.52602	17.3
71.04961	4.0
77.03944	4.5
79.05493	21.7
81.07050	8.0
91.05484	39.6
93.07057	19.2
95.04971	10.3
95.08605	7.3
97.06531	5.2
103.05473	14.3
105.04570	3.2
105.07054	15.1
107.04962	38.3
107.08611	7.3
109.06513	3.9
110.03624	3.3
115.05480	4.8
117.07014	7.2
119.04945	12.6
121.06525	20.5
123.04412	10.5
123.11739	5.0
124.05202	7.1
125.06002	4.0
128.06209	13.1
129.07042	28.7
131.04932	12.9
131.08559	15.1
133.02794	3.4
133.06487	7.1
135.04463	14.7
135.08044	10.3
137.05980	21.9
138.06775	3.4
145.02847	9.6
145.06476	5.8
146.03616	3.8
146.07315	3.0
147.04416	9.6
147.08054	3.8
148.05200	6.5
149.06021	7.2
151.03934	8.3
151.07547	21.4
152.04750	3.7
153.05495	12.5
153.06885	3.2
155.05948	3.3
155.07085	4.0
157.06490	24.0
161.05989	42.0
161.09605	15.3
163.03905	46.4
163.07571	17.4
165.07011	10.3
165.09119	14.6
166.06233	10.7
167.03416	3.1
167.07063	65.4
167.08487	3.9
174.06747	13.3
175.07549	10.4
177.05515	3.4
177.09090	9.0
179.07140	4.1
179.08604	6.0
181.06444	5.2
181.06769	5.8
181.08598	100.0
182.07292	9.5
183.08017	3.9
189.09125	86.6
191.03355	18.6
191.08551	4.1
193.04973	6.3
194.07161	3.4
195.08029	9.4
197.09619	14.5
199.07523	4.4
207.08237	5.3
207.10147	26.7
209.04440	41.9
209.06195	3.9
210.06792	7.9
211.07535	3.1
219.08130	5.9
221.05940	6.6
222.06818	3.5
223.07626	12.7
223.11179	6.1
225.09079	15.9
227.06985	6.5
235.07576	5.1
236.08324	6.7
237.09055	5.8
239.07072	7.3
240.07828	6.0
242.09464	4.1
245.12865	4.2
251.07007	5.4
251.10774	5.5
253.08598	16.5
255.11147	4.3
257.11737	15.5
268.07468	3.0
269.07971	4.9
270.08792	4.8
279.10175	4.9
283.09946	14.5
283.13300	13.5
285.08136	4.2
285.11252	33.6
301.11667	4.2
302.11322	4.9
311.12839	9.4
315.12256	19.1
315.15607	5.5
317.13876	30.8
329.14130	3.3
331.15570	6.4
343.15363	20.3
361.12271	6.6
361.16510	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.6
71.51591	4.4
79.05476	4.0
81.03409	9.8
91.05482	6.6
93.07077	2.6
100.43800	2.1
103.05476	5.7
105.07032	8.8
107.04968	5.9
109.02903	7.2
111.04416	4.0
115.05471	29.3
117.07010	3.2
119.04990	4.6
123.04432	26.2
131.04913	13.9
133.06520	12.5
135.29614	2.2
137.02350	65.9
137.03412	4.6
137.05966	14.0
138.02730	2.1
138.06294	6.7
139.03874	2.8
143.04945	30.0
145.06438	3.5
147.04401	7.3
149.05963	6.6
151.03929	7.1
152.09058	2.0
159.04405	7.5
161.06003	34.0
162.06479	2.8
163.07532	3.7
165.07007	5.1
171.04425	76.1
173.06033	3.5
177.05473	13.1
179.07143	3.2
179.08553	3.5
189.05484	100.0
189.06837	3.8
190.06264	3.6
191.07056	5.8
193.06631	2.4
195.07979	2.4
197.05974	3.1
205.04990	3.2
207.06454	14.9
211.07474	2.5
223.07539	3.8
225.08971	2.1
235.07590	5.0
239.07089	4.3
250.07095	3.6
251.07188	3.5
263.07214	3.7
281.07983	4.9
283.46640	2.2
299.09201	3.5
315.08624	29.1
317.10306	4.0
327.08609	4.3
330.56061	2.1
345.09750	58.1
362.12283	32.7
362.16122	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	362.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.05498	2.9
55.73920	1.4
65.03931	3.1
67.05509	23.3
67.05849	3.1
69.03432	2.9
71.50926	2.0
72.08155	2.1
72.26360	1.3
74.06090	1.8
79.05497	49.6
81.03426	7.9
81.07057	6.5
83.05000	3.8
84.04530	1.6
85.02882	3.5
86.09726	2.3
91.05476	7.2
97.02905	1.5
105.07040	5.5
107.08605	100.0
109.02885	1.9
109.06520	1.4
109.10165	62.6
111.04455	30.1
115.03949	1.5
115.65668	1.4
121.02887	1.8
125.09636	5.0
127.03928	3.5
132.10201	2.0
133.06458	1.7
135.08061	4.7
137.02324	1.9
139.03886	14.0
140.07091	1.5
143.10657	8.6
145.04881	1.8
153.05482	3.9
153.09158	9.1
168.07401	1.8
185.04498	12.5
193.79788	1.3
201.03989	18.0
203.05458	2.4
207.50011	1.5
213.09126	1.8
227.10481	1.5
249.11339	2.1
300.56024	1.7
309.13315	12.8
327.14420	9.1
344.19211	3.0
362.11453	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01888	0.8
55.05513	0.7
56.96562	12.3
57.03428	1.3
60.95847	1.2
61.02916	2.1
62.03249	0.5
65.03943	0.4
67.05501	1.6
68.04717	0.7
68.05033	5.8
68.05365	0.9
69.03432	4.5
69.14442	2.6
69.14861	2.0
70.06588	0.9
71.05006	0.7
71.95270	1.0
72.08163	0.7
73.02904	1.8
74.77241	0.4
79.05488	2.5
79.63777	0.4
81.03425	2.2
81.07071	1.7
82.41242	0.4
83.01366	0.6
83.04996	0.7
84.04501	1.3
84.08162	0.9
84.96030	2.3
85.02916	10.1
87.04474	1.3
89.03915	1.0
91.03954	0.6
91.05486	1.9
93.07039	1.8
95.04978	1.3
95.08602	2.2
96.04495	30.9
97.02883	5.0
98.20769	1.2
98.97589	100.0
99.04426	0.9
99.97919	0.6
102.96886	2.0
105.07024	1.5
107.04970	1.4
107.08627	0.8
109.02886	1.8
109.06518	1.6
109.08487	0.4
110.09683	7.5
110.97581	4.0
111.04500	0.6
111.97844	0.5
112.07600	0.8
112.99106	1.1
114.96871	0.8
115.03947	0.6
116.98627	34.5
117.03384	0.8
119.04975	0.8
121.06529	2.0
123.08064	1.6
124.07640	0.8
124.99182	1.1
126.97041	0.7
127.03960	2.7
128.98622	3.8
130.08629	1.4
131.00221	1.4
131.38339	0.4
132.98003	0.7
134.99670	6.8
135.04454	1.8
136.07578	1.7
137.05978	7.4
137.07845	0.5
138.06340	0.9
138.09151	23.4
139.07568	1.1
140.00200	1.1
141.02187	0.6
141.09129	1.5
143.00154	2.2
144.98111	1.5
145.01683	1.4
145.02782	0.9
145.04977	2.1
146.99641	1.6
147.04425	1.4
150.99104	0.8
152.98578	0.5
158.99667	55.5
159.03291	1.6
161.01184	1.6
162.99068	1.4
163.02725	1.0
163.03928	8.8
164.04248	0.4
164.07079	5.8
165.07454	2.3
167.07030	1.1
169.01802	0.4
170.99680	1.5
171.03281	0.7
173.01277	0.6
177.00722	45.8
177.04097	0.9
179.03781	1.3
180.05458	2.1
183.03348	1.7
185.01224	0.8
185.04906	1.7
187.02754	0.8
187.04395	0.9
189.00760	1.9
189.04213	1.2
189.06009	2.3
189.56198	1.1
191.02271	0.6
191.03896	0.6
191.54156	0.6
193.00269	0.6
195.00093	0.4
195.01701	2.2
195.03365	0.5
197.01234	1.1
197.04881	1.1
200.02345	2.0
200.04501	1.2
201.00780	1.5
201.04253	3.1
203.02351	0.7
203.05756	2.7
204.05424	0.6
205.03802	0.7
206.04480	0.6
207.01729	0.7
207.05240	1.9
208.04921	1.3
211.02820	1.5
213.04369	0.7
215.02306	0.8
215.06061	1.9
217.03754	0.5
219.01775	35.8
219.05301	1.3
221.06839	0.6
223.01047	1.0
225.04248	0.8
227.05905	0.6
229.03951	0.8
233.06995	1.1
237.02795	7.1
237.49214	0.5
239.05952	0.9
241.03940	0.8
242.07410	0.8
243.05305	7.1
253.03804	1.3
257.06961	0.6
259.04922	1.0
261.06253	1.8
267.03918	0.6
271.05103	0.6
273.06509	0.7
279.03751	0.6
283.57562	0.5
284.10074	1.7
285.02979	0.6
285.10669	0.6
289.05988	0.6
295.07217	0.6
301.15485	35.0
303.04144	0.9
303.07492	17.2
321.08572	17.7
327.03729	0.7
335.06543	0.8
345.13904	0.7
354.12939	0.5
359.10117	1.1
363.09326	14.5
363.15558	1.4
369.05069	0.6
381.10617	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	364.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
57.03424	0.7
61.02926	0.6
67.05492	0.6
69.03417	1.9
71.52010	0.7
73.02933	0.5
78.04702	1.7
79.05501	1.1
81.03404	1.2
81.07052	0.4
84.08120	0.5
85.02909	6.0
86.42352	0.4
87.04508	0.4
90.28428	0.4
91.03915	0.5
91.05443	0.6
97.02885	1.6
106.04160	1.0
107.04950	1.0
107.08597	0.6
109.02855	0.4
123.04434	4.0
124.05220	1.5
127.03922	1.6
135.04417	1.3
137.05965	1.1
140.04703	0.5
143.44827	0.4
145.04950	2.1
150.09137	0.5
151.03946	0.6
152.04691	1.6
153.05479	3.6
155.07056	1.0
155.08316	0.4
161.00145	0.4
162.88582	0.4
165.05545	0.6
167.07039	100.0
168.07384	1.0
170.05669	0.4
180.08679	0.9
184.09706	1.5
185.08076	0.9
201.12465	0.4
202.10748	0.5
364.17825	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	364.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99700	0.4
53.03937	0.8
55.01865	0.8
61.02893	0.6
67.05499	1.1
68.99780	0.7
69.03418	1.4
69.73797	2.4
71.04992	0.5
73.02898	0.4
74.06072	0.4
79.05501	4.5
81.03415	1.0
81.07042	1.1
82.03777	0.5
83.04955	0.8
85.02907	4.4
93.07047	23.4
94.06624	0.4
95.04948	0.9
95.08605	1.8
97.02901	1.6
97.06544	2.4
98.06049	0.5
103.05466	2.9
105.04534	0.4
105.07058	2.6
107.04945	0.7
107.08600	0.7
109.06520	0.6
111.04411	0.9
111.08067	1.0
119.04971	0.5
120.08121	1.0
121.06515	28.5
121.10104	1.0
121.29278	0.4
122.06068	0.6
123.08077	0.7
124.07593	1.1
125.05997	1.2
127.03919	0.7
130.34232	0.4
131.04944	0.8
131.08588	0.7
134.09637	0.6
135.08109	0.4
137.04774	0.5
137.05971	1.6
138.09131	1.4
139.07542	6.4
140.07054	0.5
145.05000	1.1
146.09673	0.8
149.05992	18.8
151.07530	0.5
159.08092	0.7
164.10721	6.3
165.05544	1.0
166.08690	2.0
167.07050	81.4
168.07390	1.2
180.10191	0.4
182.11794	0.5
184.09711	2.0
185.08156	3.0
185.09546	0.6
185.11739	0.9
192.10205	4.1
202.10765	0.5
208.09653	0.8
210.11272	25.2
211.11237	0.4
234.11250	0.7
252.12357	0.8
311.11392	0.9
318.16861	2.4
346.16479	1.8
364.17557	100.0
365.17792	1.6
373.35739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01860	1.5
55.37312	0.8
56.91520	0.8
58.84317	0.8
61.02918	1.2
67.05504	1.4
68.99794	1.4
69.03426	2.4
70.81025	0.9
71.17332	1.3
71.17656	1.1
76.57628	0.9
79.05505	7.4
81.03422	1.9
81.07062	2.5
81.51690	0.9
85.02926	7.2
91.05490	7.3
93.07051	37.2
95.04953	2.7
95.08604	5.1
97.02894	1.4
97.06526	4.2
99.71469	0.9
100.42519	1.2
103.05470	5.2
105.07048	4.6
105.28263	0.8
107.04957	1.2
111.08080	3.2
121.06516	50.9
121.10121	1.7
123.08066	2.3
125.05975	2.1
127.03889	2.0
139.07561	8.8
139.11185	0.9
145.04933	1.9
149.04799	1.8
149.06000	24.9
161.46504	1.1
165.05476	3.3
165.67693	0.9
167.07057	100.0
167.10657	2.9
180.08638	1.3
184.09694	2.0
185.08098	3.0
185.11665	3.3
311.11288	2.1
329.12466	1.8
340.55405	1.0
364.17474	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	364.1756
Annotation	Longaninine
Peak:m/z	Relative Intensity
53.03943	0.5
55.01876	0.6
56.05008	0.4
61.11928	0.4
62.06091	0.6
67.05517	0.7
68.99776	0.5
69.03437	1.0
71.41232	0.7
74.06097	0.7
79.05498	3.1
80.59177	0.3
81.03429	0.5
81.07051	0.7
85.02901	1.6
85.92108	0.3
89.82036	0.4
93.07053	10.4
95.04968	0.7
95.08592	1.2
97.02898	0.8
97.06532	0.8
101.12577	0.4
103.05472	1.3
105.04556	0.4
105.07028	1.9
108.08049	0.4
111.04476	0.9
111.08095	0.8
115.35419	0.4
117.07032	0.8
117.65984	0.4
119.08539	0.3
120.08093	0.7
121.05676	0.8
121.06518	13.6
121.07393	0.7
122.05992	0.4
124.07643	1.2
125.06009	0.6
127.03947	0.8
128.97531	0.3
131.04851	0.4
133.06563	0.4
134.09612	0.4
136.07613	0.5
137.05981	1.2
138.09111	1.4
139.07529	2.7
140.07027	0.6
145.04926	0.6
146.09628	1.3
147.08092	0.4
148.07576	0.5
149.05992	9.1
150.09183	0.7
159.08049	0.4
162.09058	0.7
162.23001	0.4
163.07420	0.4
164.10722	7.5
165.05475	0.7
166.08667	2.2
167.07050	41.2
168.07465	0.5
174.09161	0.4
184.09746	2.2
185.08156	1.8
192.10199	5.0
203.51984	0.3
208.09697	1.2
210.11267	26.9
211.11688	0.5
219.10239	0.4
229.09192	0.4
234.11354	0.5
239.10770	0.4
252.12332	1.4
269.30432	0.4
270.48523	0.4
300.15982	0.4
318.16946	1.5
346.16498	1.9
364.17563	100.0
365.18008	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90828	1.1
51.87304	1.3
53.03946	3.1
54.33959	1.3
55.05501	1.4
57.07081	1.4
59.05008	2.6
67.05502	3.1
69.03437	3.8
71.51563	2.1
75.04444	1.8
76.27655	1.3
79.05495	9.2
81.03425	2.2
81.07062	26.3
85.02899	5.8
85.68253	1.4
91.05478	2.8
93.07048	25.8
95.08619	14.2
97.02903	3.2
97.06519	2.7
102.19296	1.5
105.07024	8.2
107.08611	9.4
109.02913	1.4
119.08552	1.4
120.08159	1.8
121.10157	100.0
122.10426	1.6
123.11726	23.1
125.05997	5.5
127.03962	2.1
131.08556	1.5
133.07613	1.5
135.11737	4.4
136.06209	13.3
139.11200	13.4
149.09631	10.4
160.07594	3.4
167.10690	60.4
173.12891	1.5
185.11781	5.4
197.62477	1.4
202.08691	2.1
213.95784	1.8
311.14832	2.2
364.20184	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	364.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56082	0.9
53.03945	2.4
57.03448	4.8
61.02921	1.2
67.05496	1.5
68.29383	0.9
69.01169	0.9
69.03422	3.0
71.41425	2.2
75.04484	8.9
79.00344	1.0
79.05503	6.2
81.07066	8.1
85.02905	12.9
87.04452	2.7
91.05492	7.8
93.07050	67.5
94.07323	1.1
95.04960	2.6
95.08611	4.8
97.02888	3.7
105.07074	4.7
107.08581	4.3
107.18058	0.9
109.02917	1.3
111.08081	9.8
116.11771	1.0
119.08561	1.5
121.10150	100.0
123.08073	1.0
123.11697	4.0
125.05991	2.5
127.03920	3.7
131.08612	1.6
136.06197	7.2
139.11180	22.3
145.04996	4.9
145.99510	1.3
149.09622	11.4
155.08868	0.9
163.05989	2.4
167.10684	44.8
185.11783	1.4
225.54832	0.9
298.50864	0.9
311.14890	2.8
320.16223	1.1
364.19644	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3213
Annotation	Terminaline
Peak:m/z	Relative Intensity
53.03947	2.5
55.05320	1.6
55.05520	18.0
60.08168	3.2
65.03942	1.8
67.05512	48.4
67.24388	1.6
69.07076	18.3
70.75507	2.3
70.75844	3.2
71.04980	2.1
79.05499	30.1
81.07063	39.4
83.08606	5.5
85.06548	2.5
89.04817	1.6
91.05094	1.3
91.05502	13.5
93.07053	34.1
95.04958	1.9
95.08623	24.4
97.06512	1.9
97.10215	2.1
99.07475	1.6
104.60496	1.5
105.07020	8.0
107.08595	17.9
109.10163	8.2
119.08591	4.9
121.10124	10.1
123.08116	1.9
133.10144	2.7
135.11697	3.9
145.10220	2.1
147.11719	2.7
149.13263	3.3
202.45061	1.9
305.24774	57.6
364.32117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53001	0.4
56.04515	0.5
63.52162	0.5
63.95747	0.5
65.40152	0.5
69.80093	2.6
76.57525	0.5
78.60723	0.5
83.38284	0.6
84.67046	0.6
93.68149	0.5
98.20850	0.6
143.01828	0.5
185.02740	0.5
185.04214	2.5
203.05304	6.9
215.03610	0.6
245.04979	1.0
329.61841	0.5
365.08264	100.0
366.09015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	11.7
57.03441	1.4
61.02930	6.0
67.05492	1.0
67.22900	0.7
69.03422	1.3
69.77888	4.0
70.88270	0.7
70.98141	2.4
71.95266	1.5
73.02905	1.0
81.03448	1.0
85.02909	5.2
89.00916	1.1
95.08598	0.9
97.02921	2.5
98.97589	20.1
98.98194	1.2
101.00869	4.7
110.97585	6.8
112.99178	1.2
113.00906	1.4
116.01372	0.8
116.98601	5.6
117.02203	0.7
119.01920	6.2
121.06595	1.2
124.95464	5.0
124.99146	1.2
127.02451	0.9
127.03995	1.6
128.66916	0.7
128.98628	5.6
131.00175	1.6
131.01903	1.9
132.98120	0.9
134.99741	1.2
137.03383	0.7
137.06007	1.5
140.98645	0.9
141.00415	0.7
141.01274	3.9
142.96593	2.9
143.00198	1.7
143.01888	6.3
144.98111	0.9
145.03539	2.6
146.99702	2.5
147.01364	0.8
147.52885	0.8
148.02052	0.9
150.01851	2.2
152.95061	1.1
155.01933	3.5
155.05588	0.8
156.98096	0.9
157.03529	2.2
158.99722	2.2
160.97646	1.1
161.02960	6.1
162.99152	0.8
163.03998	1.6
164.07260	1.2
167.01933	1.6
167.07097	1.3
169.03577	1.5
170.96046	5.2
170.99777	2.7
172.97589	1.3
173.01532	1.2
173.02948	5.1
173.06610	1.0
174.99086	4.1
176.49484	0.8
177.00740	2.1
179.02014	1.2
181.07312	0.8
182.12196	0.7
184.97589	6.0
185.02965	6.6
185.04340	14.4
186.99225	1.1
187.04527	1.3
188.97099	6.8
189.00713	4.8
190.01418	1.2
190.98672	1.5
193.00301	3.2
197.03073	3.1
199.04704	1.3
199.08252	1.6
200.04478	1.2
201.00800	1.3
202.04146	1.3
202.98734	5.2
203.00374	0.9
203.05313	38.0
205.00191	1.6
205.01915	3.7
206.98241	2.8
207.01869	2.6
208.99745	1.6
212.02742	1.4
212.97203	3.0
215.04137	2.0
217.00313	2.6
219.01834	2.2
220.99863	3.6
221.05136	1.1
225.06065	0.8
226.02316	5.7
226.52739	1.0
227.04070	1.2
230.98141	10.1
235.01208	0.9
235.03015	7.5
235.53073	0.9
237.02921	2.9
242.98242	1.0
243.07205	0.9
244.03418	1.8
244.99709	4.0
245.05084	17.9
247.01309	1.3
248.99339	3.3
260.99298	1.3
263.00729	8.4
263.06152	3.8
266.08969	0.9
274.56641	0.9
275.00903	2.0
275.06149	4.1
283.57159	1.1
305.01917	1.3
305.07144	1.3
321.12045	2.3
325.69107	0.9
329.07147	0.8
333.01227	0.9
339.13242	1.5
365.10736	100.0
366.11166	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
55.01861	8.3
55.05502	8.3
57.03440	5.1
57.07053	3.5
61.02914	4.2
67.05511	14.0
68.99777	5.0
69.03431	58.7
69.07037	6.4
71.04971	4.4
71.52342	2.7
73.02903	2.9
79.05496	21.3
81.03420	28.9
81.07055	42.3
83.04966	7.8
85.02905	23.5
85.06551	3.2
87.00816	11.3
87.04447	3.0
91.05473	30.9
93.07040	80.8
95.04973	13.1
95.08607	19.2
97.02898	12.9
97.06496	4.2
99.04461	3.6
99.85814	2.6
101.02392	2.5
105.04506	2.4
105.07031	66.9
107.04944	6.7
107.05682	2.3
107.08593	95.8
107.09312	4.6
109.02855	4.6
109.06532	12.6
109.10133	8.3
111.04435	7.5
111.08050	3.9
113.02358	2.6
115.03948	4.0
115.05443	4.1
117.01868	2.7
117.07014	16.2
119.04939	5.6
119.06039	2.4
119.08586	47.4
120.78247	2.5
121.06498	17.2
121.10131	14.2
123.04408	4.1
123.08089	14.0
123.11678	5.5
127.03928	6.6
129.01881	3.8
129.07030	13.2
130.07767	3.3
131.08586	22.1
133.06450	10.3
133.10133	35.2
135.04358	3.9
135.08055	13.3
135.11690	53.5
137.05954	6.3
141.06955	4.5
142.07770	10.7
143.08569	16.2
144.09262	4.6
145.06424	8.2
145.10146	32.9
147.08018	8.1
147.11665	33.7
149.09573	7.2
151.07501	3.8
151.11147	5.0
154.07814	2.7
155.08542	6.8
156.09383	4.0
157.10147	19.2
158.07257	2.9
159.02893	3.7
159.08066	12.2
159.11676	20.1
161.05945	4.8
161.09612	5.3
161.13249	6.1
163.07550	6.0
163.11180	34.3
165.05478	6.4
165.12749	10.1
167.08511	2.5
169.10085	8.9
169.12231	8.8
171.08054	3.3
171.11670	10.8
172.08801	2.8
173.09604	10.6
173.13252	8.4
175.07571	5.2
175.11186	26.3
177.09079	5.5
177.12785	7.1
183.07968	3.8
183.11607	6.4
185.09590	9.2
187.07588	5.5
187.11206	6.4
187.13255	4.0
187.14815	4.3
189.12738	9.9
193.12257	14.3
197.13191	8.9
201.09142	5.9
201.12724	8.4
203.10683	3.0
205.12218	5.7
213.12677	3.7
215.10875	2.9
215.14297	14.7
217.12238	3.2
219.13766	6.1
225.12776	10.2
233.15356	6.8
243.13789	43.1
243.16139	3.6
261.14868	100.0
339.20682	2.4
347.15030	46.3
365.16061	61.4
374.71039	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	365.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
55.01861	8.3
55.05502	8.3
57.03440	5.1
57.07053	3.5
61.02914	4.2
67.05511	14.0
68.99777	5.0
69.03431	58.7
69.07037	6.4
71.04971	4.4
71.52342	2.7
73.02903	2.9
79.05496	21.3
81.03420	28.9
81.07055	42.3
83.04966	7.8
85.02905	23.5
85.06551	3.2
87.00816	11.3
87.04447	3.0
91.05473	30.9
93.07040	80.8
95.04973	13.1
95.08607	19.2
97.02898	12.9
97.06496	4.2
99.04461	3.6
99.85814	2.6
101.02392	2.5
105.04506	2.4
105.07031	66.9
107.04944	6.7
107.05682	2.3
107.08593	95.8
107.09312	4.6
109.02855	4.6
109.06532	12.6
109.10133	8.3
111.04435	7.5
111.08050	3.9
113.02358	2.6
115.03948	4.0
115.05443	4.1
117.01868	2.7
117.07014	16.2
119.04939	5.6
119.06039	2.4
119.08586	47.4
120.78247	2.5
121.06498	17.2
121.10131	14.2
123.04408	4.1
123.08089	14.0
123.11678	5.5
127.03928	6.6
129.01881	3.8
129.07030	13.2
130.07767	3.3
131.08586	22.1
133.06450	10.3
133.10133	35.2
135.04358	3.9
135.08055	13.3
135.11690	53.5
137.05954	6.3
141.06955	4.5
142.07770	10.7
143.08569	16.2
144.09262	4.6
145.06424	8.2
145.10146	32.9
147.08018	8.1
147.11665	33.7
149.09573	7.2
151.07501	3.8
151.11147	5.0
154.07814	2.7
155.08542	6.8
156.09383	4.0
157.10147	19.2
158.07257	2.9
159.02893	3.7
159.08066	12.2
159.11676	20.1
161.05945	4.8
161.09612	5.3
161.13249	6.1
163.07550	6.0
163.11180	34.3
165.05478	6.4
165.12749	10.1
167.08511	2.5
169.10085	8.9
169.12231	8.8
171.08054	3.3
171.11670	10.8
172.08801	2.8
173.09604	10.6
173.13252	8.4
175.07571	5.2
175.11186	26.3
177.09079	5.5
177.12785	7.1
183.07968	3.8
183.11607	6.4
185.09590	9.2
187.07588	5.5
187.11206	6.4
187.13255	4.0
187.14815	4.3
189.12738	9.9
193.12257	14.3
197.13191	8.9
201.09142	5.9
201.12724	8.4
203.10683	3.0
205.12218	5.7
213.12677	3.7
215.10875	2.9
215.14297	14.7
217.12238	3.2
219.13766	6.1
225.12776	10.2
233.15356	6.8
243.13789	43.1
243.16139	3.6
261.14868	100.0
339.20682	2.4
347.15030	46.3
365.16061	61.4
374.71039	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	365.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01876	7.0
55.05513	27.5
57.03442	11.7
67.05510	31.0
69.03436	10.2
69.07078	35.6
71.04977	2.2
71.51799	1.5
71.52209	1.8
79.05496	26.1
79.44279	1.3
81.03426	6.0
81.07066	23.3
83.04989	6.2
83.08615	8.4
85.02898	1.6
91.05495	16.1
93.07050	19.1
95.04991	8.5
95.08607	12.0
97.02891	17.0
97.06521	4.7
97.10185	19.7
105.07032	13.7
105.91553	1.3
107.04974	7.3
107.08611	15.7
109.02837	1.8
109.06527	4.5
109.10161	10.5
111.08096	3.4
112.79252	1.4
115.05408	2.0
117.07066	6.9
119.08585	10.2
121.06497	4.2
121.10139	4.3
123.04445	2.0
123.08046	3.9
125.09655	13.9
128.13095	1.4
129.07048	2.2
131.08580	5.8
133.10085	4.1
135.08025	5.2
135.11702	3.1
137.09621	4.2
138.51616	1.4
141.70187	1.2
143.08583	4.1
145.10118	4.4
147.08057	5.7
147.11723	2.5
149.09599	1.6
149.13260	4.3
153.09087	2.0
157.10081	2.4
159.11722	3.5
161.09596	2.7
165.09135	2.6
171.11691	2.2
175.11261	2.3
179.10648	1.6
189.11308	7.3
189.12767	1.6
195.13873	2.1
223.13292	34.5
263.20114	2.2
273.18509	10.6
291.19568	100.0
292.19876	2.5
347.21869	2.2
365.23257	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
52.08990	0.3
54.25568	0.2
55.05498	1.1
57.07077	3.9
60.70484	0.3
67.05504	1.1
69.07074	1.1
71.04977	0.4
71.52439	0.3
71.81813	0.3
77.90946	0.3
79.05511	1.0
81.07063	1.9
83.04959	0.4
83.08617	0.7
85.06537	1.2
89.52490	0.3
91.05494	1.1
93.07037	1.6
95.04984	0.7
95.08616	2.1
97.06519	0.6
105.07030	1.1
107.08604	1.6
109.06516	2.1
109.10166	0.7
111.08067	0.3
119.08575	1.1
121.10169	0.6
123.08068	3.0
123.11675	0.4
124.08864	1.5
125.06007	0.3
131.08563	0.4
133.10138	0.9
135.08049	1.0
135.11688	0.6
137.05962	0.9
137.09613	0.4
139.07622	0.5
143.08543	0.6
145.10139	0.7
147.08046	0.4
147.11783	0.3
149.09624	0.5
149.13193	0.4
151.07529	3.0
151.11246	0.4
152.08344	5.3
155.08543	0.3
157.10199	0.9
159.11763	0.6
161.09566	0.4
161.13301	0.3
163.11159	0.4
165.09128	7.6
166.09912	0.5
169.10190	0.5
171.11729	0.4
175.14845	0.4
177.09209	0.3
177.12799	0.4
179.10672	1.7
181.12309	0.5
185.13271	0.4
187.11115	0.4
194.13013	4.0
195.11929	0.4
197.13263	0.4
198.76450	0.3
207.13762	1.4
209.13319	0.5
211.14844	0.3
235.16936	0.4
236.97691	0.3
249.18562	0.7
263.17822	0.4
263.20126	2.6
291.19583	0.4
308.09174	0.3
319.26428	0.9
337.27274	0.6
344.28723	0.3
347.25861	17.6
348.25967	0.4
365.26907	100.0
366.27301	2.2
387.51245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13468	1.3
53.03949	4.5
55.01872	5.2
56.96570	39.2
57.03448	9.0
58.06604	2.0
61.02932	10.7
67.05508	4.4
69.03437	25.0
69.40269	7.8
69.40675	3.0
70.06605	1.9
71.05009	3.2
71.95265	2.7
73.02924	13.1
74.02458	2.0
76.51227	1.4
79.05502	25.4
81.03427	12.5
81.07078	11.5
83.01338	2.0
83.04980	2.3
84.08147	3.1
84.96049	8.4
85.02918	55.3
86.03214	1.6
86.09737	2.3
87.04475	4.4
89.03931	6.3
91.03963	4.4
91.05485	13.1
93.07030	9.0
95.04979	7.0
95.08617	15.0
97.02908	32.7
98.97597	100.0
99.04473	5.2
99.97906	2.8
101.02419	1.9
102.96953	1.9
103.05482	3.7
105.00159	1.8
105.07048	16.7
107.04984	7.3
107.08593	6.0
109.02895	14.1
109.06532	6.8
110.97572	22.5
111.04466	1.7
111.08075	2.8
112.07608	3.2
112.99184	3.4
115.03940	2.3
116.98631	34.7
117.03397	7.0
119.01835	5.3
119.04937	8.5
121.06536	7.4
122.07159	2.2
123.04474	3.0
123.08085	15.4
124.99126	5.3
125.02378	7.2
127.03915	15.1
128.02371	2.5
128.98622	22.4
130.08684	6.8
131.00189	3.1
131.04907	2.9
133.02884	6.2
133.06519	4.9
134.99692	10.0
135.04443	19.0
135.08054	3.5
136.04855	1.7
137.05986	29.9
138.05469	2.0
138.06392	2.5
140.98570	2.8
141.02177	1.9
141.05447	8.5
141.09108	13.5
143.00171	11.8
143.03436	4.0
145.02861	7.9
145.05028	8.8
146.99643	8.6
147.03386	1.8
147.04425	9.1
148.04819	1.9
149.06001	6.6
150.04424	1.7
151.07529	3.1
153.05510	3.4
154.02861	1.8
155.00182	3.0
156.03366	2.2
157.01714	3.1
158.99672	24.9
159.03288	3.0
160.99162	1.9
161.01251	6.6
161.05959	8.5
162.99210	1.7
163.03934	77.2
164.02386	2.3
164.04254	8.4
164.05840	1.7
164.07138	3.5
165.05498	2.9
166.05307	3.7
167.07083	8.2
170.03432	2.3
170.99686	7.8
171.04912	1.7
173.01234	4.1
173.02701	2.5
174.05489	3.1
175.07501	1.8
177.00740	23.5
177.05565	3.7
178.03825	2.8
179.00182	3.2
179.07030	21.3
180.05440	17.2
181.98878	2.8
182.99722	4.6
183.03197	1.6
184.03940	4.3
185.01221	4.1
185.04874	10.0
186.04297	2.2
187.02783	3.0
189.00722	6.9
189.04405	2.9
189.05986	24.0
189.56119	4.3
190.54698	2.7
191.03912	5.2
192.01949	3.7
193.00197	1.9
193.04443	16.0
197.01268	5.4
197.05049	3.6
197.08131	8.6
199.04517	8.1
200.04514	2.7
201.00749	6.2
201.04355	2.6
202.04965	6.9
203.05853	9.2
204.12355	4.0
206.04460	2.6
208.04955	10.9
209.05034	3.8
210.03055	4.6
211.02806	2.8
213.04391	3.1
215.02193	5.1
215.04051	3.1
215.05878	8.2
217.05609	7.9
217.07393	2.4
219.01756	23.8
223.02858	3.7
223.05460	1.7
227.05949	3.1
231.01842	2.5
231.05295	5.2
233.07060	6.0
235.02859	2.9
237.02827	23.7
238.10770	2.4
239.02225	2.5
239.05963	7.3
241.03775	8.5
243.05341	3.0
246.03099	2.5
249.02888	4.9
252.05783	1.8
253.03896	2.8
254.08130	5.2
255.03786	2.7
257.03415	3.0
257.07034	11.6
259.06885	2.9
261.03604	2.1
261.06174	12.5
263.05826	2.9
263.08609	50.0
263.58810	5.8
265.03772	1.8
265.10236	2.2
267.04163	3.7
269.08643	5.5
270.08640	2.8
271.04932	3.7
272.09183	2.4
273.02942	1.7
273.06406	1.6
275.08023	11.3
276.08539	4.9
276.88248	2.0
278.09195	25.8
278.58957	15.1
279.09085	2.2
283.04898	2.3
285.02805	4.1
286.10876	2.1
286.56702	2.4
287.06464	7.9
287.09653	42.7
287.59723	11.2
291.04010	7.7
301.06094	2.5
303.03888	5.6
303.07568	5.9
309.04941	5.7
313.06067	2.3
317.09106	3.3
321.05081	2.1
321.08640	4.7
324.06085	2.6
327.03952	5.2
349.08228	3.2
351.05930	3.9
359.10181	7.4
366.07211	10.9
366.11374	2.0
366.18542	1.8
367.14200	2.3
373.08145	2.8
377.11353	4.4
381.07098	2.3
385.08289	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.5
53.49746	1.1
55.01881	6.2
55.05512	2.8
57.03426	5.3
57.03672	1.0
61.02942	5.8
65.20691	1.1
68.99780	2.9
69.03435	32.9
69.19747	1.3
69.34853	2.7
69.35269	5.9
69.78033	1.0
71.04988	3.5
73.02930	6.2
73.03265	1.2
81.03423	25.0
81.07069	1.2
83.08614	1.6
85.02914	100.0
87.00835	43.8
87.04519	1.1
97.02307	1.9
97.02901	27.5
98.21519	2.7
99.04463	13.2
105.01875	77.5
108.04491	1.6
109.02887	24.3
111.08086	1.7
113.09617	1.4
115.03912	1.2
117.01866	2.0
122.27155	1.2
124.10786	1.1
125.09646	1.5
126.05509	2.0
127.03927	72.7
129.01840	3.6
141.09123	2.1
145.04974	39.3
147.02893	1.9
149.14815	1.2
151.07518	1.6
159.02901	14.8
167.10707	1.3
169.12271	2.4
189.03937	4.0
209.11810	6.0
213.03960	2.4
231.05025	23.0
248.07549	2.4
249.06108	7.9
269.13834	2.1
295.11829	5.1
313.12827	2.0
347.88943	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63628	0.5
55.05513	1.0
57.03419	0.7
62.44303	0.6
67.05506	3.8
67.94826	0.5
69.03424	0.7
69.99854	1.0
70.00253	2.4
70.06588	0.6
71.04978	0.7
79.05496	6.1
81.07062	16.7
83.04970	1.9
84.08113	0.7
85.02916	2.8
86.09697	1.2
91.05482	5.4
93.07050	22.6
95.04970	1.8
95.08616	17.1
97.02911	0.8
97.06532	0.9
98.21394	0.7
105.07045	6.8
107.08598	23.6
109.06497	1.3
111.08087	12.7
119.06095	0.8
120.08097	0.7
121.06505	1.9
123.08076	20.5
123.11678	1.3
123.77295	0.6
125.08764	1.2
125.09637	12.4
133.06499	1.1
133.10172	0.9
139.07545	44.4
145.04945	1.3
151.07555	9.6
151.11168	0.8
163.03973	0.6
163.06036	0.5
165.07224	0.6
169.08609	100.0
170.09160	0.7
186.11249	2.1
193.41954	0.6
198.09724	1.9
204.31248	0.6
220.11804	0.6
270.24106	0.7
297.27576	0.6
366.11728	0.9
366.19125	1.2
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
55.05505	0.9
61.94224	0.7
67.05498	2.9
67.27099	0.7
69.03429	1.5
69.07048	0.9
70.06594	0.9
79.05486	5.4
81.07063	13.8
85.02897	3.0
86.09689	2.8
91.04964	0.7
91.05457	4.3
93.07045	24.6
95.04954	1.0
95.08616	18.9
105.07035	6.8
107.08591	21.7
109.06515	1.8
111.08082	13.7
119.06076	1.0
121.06499	2.2
123.08076	25.2
125.09641	11.8
133.06487	1.7
139.07545	44.3
145.04991	1.3
147.04439	0.9
150.09138	0.9
151.07555	8.8
151.11137	1.2
160.77747	0.7
163.03908	1.0
163.06096	0.7
164.07108	1.9
169.08612	100.0
170.08911	1.5
180.08733	1.3
186.11302	2.3
192.06517	1.5
198.09731	1.5
204.06601	1.0
205.06841	1.0
220.11826	1.1
252.08742	1.7
302.97913	0.7
334.16608	1.0
366.15823	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	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07245	1.1
53.03926	5.6
53.93547	1.3
55.01863	5.5
55.05506	2.3
57.03423	6.1
61.02937	6.6
67.05502	2.5
68.99784	1.9
69.03432	38.4
69.07085	1.8
70.91383	3.3
71.04996	7.7
73.02916	6.6
81.03419	18.9
81.07060	15.1
85.02909	100.0
85.06491	1.7
87.00832	52.9
91.03946	1.9
93.07051	6.8
95.08614	21.4
97.02301	2.3
97.02891	31.1
97.10159	2.1
99.04465	19.8
99.08097	2.7
105.01868	86.6
107.08599	3.2
109.02888	27.6
109.10094	2.3
111.08088	7.5
117.01833	1.6
123.11708	15.8
125.09616	2.7
127.03922	70.5
129.01843	2.7
133.10135	2.7
136.06197	2.4
141.12689	2.3
145.04971	33.9
151.11156	8.6
159.02855	10.0
169.12244	80.2
187.13281	11.3
189.03915	5.0
197.28247	1.5
198.09775	2.4
231.05019	26.1
249.06093	13.2
295.75064	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.5
55.66186	1.2
57.03428	1.9
60.04528	1.4
67.05503	12.9
69.03425	3.4
69.07061	5.2
71.04611	1.3
71.05001	24.4
71.51978	1.5
72.98658	1.1
74.08459	1.1
79.05501	3.2
81.07066	14.0
83.04974	1.6
85.02923	6.8
85.06553	36.6
91.05477	12.6
91.88731	1.1
93.07051	7.1
95.04984	1.3
95.08614	6.1
97.02863	2.2
99.04497	2.5
103.07175	1.1
105.07030	8.5
107.08613	10.2
109.10165	17.1
111.08093	2.9
123.11729	8.8
125.09612	1.9
133.10150	36.2
151.11195	34.5
169.12256	52.6
187.13307	100.0
366.19067	2.3
366.28467	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	366.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20153	1.0
53.03940	1.7
54.64775	0.9
55.05518	10.0
57.03445	1.0
57.07069	3.5
59.04987	1.5
61.02913	1.2
65.03947	1.0
67.05508	13.9
69.03433	5.0
69.07063	4.6
69.38357	7.6
70.96120	1.1
71.04999	8.1
71.08630	1.0
79.05489	3.7
81.03432	1.2
81.07061	76.2
83.04999	1.0
83.08633	2.4
85.02908	10.2
85.06569	6.2
87.17475	1.0
89.06038	1.7
91.05472	2.4
93.07050	8.7
95.04993	5.4
95.08618	17.1
97.02896	3.1
97.10166	11.0
98.21505	1.9
99.04467	2.9
99.08090	1.9
103.29326	1.1
107.08595	4.3
109.06531	3.4
109.10149	2.2
111.08070	3.5
113.06063	1.8
118.06574	1.1
121.10130	1.7
123.11716	71.3
127.03918	1.1
129.09109	5.0
133.02829	1.1
133.10129	3.8
141.12776	3.1
145.04939	1.9
151.11188	15.3
169.12247	100.0
180.08661	1.6
185.07961	1.0
186.36249	1.0
187.13298	49.6
195.08481	1.5
212.09331	1.9
342.10413	1.0
366.22806	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20917	0.9
53.03927	1.5
55.05508	10.2
57.03423	2.0
57.07067	3.1
59.04990	2.0
61.02924	1.3
65.03943	0.8
67.05183	1.3
67.05511	15.4
69.03428	4.4
69.07059	3.1
69.39683	6.9
71.04999	8.7
72.60498	0.8
79.05484	3.5
81.03441	1.9
81.07063	79.0
83.08603	3.2
85.02910	11.9
85.06542	5.8
86.09641	1.0
89.06049	1.3
91.05478	1.8
92.61946	0.9
93.06488	1.3
93.07037	10.0
95.04981	5.9
95.08613	16.5
95.79472	0.8
97.02878	2.6
97.10168	9.4
99.04454	2.4
99.08069	2.3
105.07015	2.0
107.08580	3.2
109.06519	2.5
109.10149	3.2
111.04431	1.3
111.08070	4.5
113.06010	1.3
123.08121	1.5
123.11713	76.3
127.03913	1.5
127.11157	1.8
129.09126	7.5
133.10123	3.4
137.05927	0.8
141.12738	2.5
145.04936	1.8
151.11194	14.1
151.47673	0.8
152.07013	1.1
169.12248	100.0
173.12830	1.1
180.08702	1.8
187.13304	57.8
203.09070	1.1
325.19070	0.9
342.10312	1.2
343.13144	1.0
360.52972	0.8
366.22711	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	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03978	1.5
55.05515	2.7
57.03442	2.6
61.02930	1.4
67.05515	8.3
69.03444	4.2
69.07082	1.5
69.93095	5.8
70.06603	3.1
71.04994	3.3
79.05492	6.1
81.03473	1.3
81.07063	60.8
85.02914	13.5
85.46387	1.3
91.05495	5.6
91.42410	1.3
93.07053	21.9
95.08611	21.5
97.02908	3.6
98.20847	1.7
105.07040	5.5
107.08596	7.2
107.53185	1.2
109.02869	1.9
109.06506	3.3
109.10156	10.5
111.08112	10.3
118.75663	1.7
120.08088	1.8
121.10155	18.5
123.11717	67.5
127.03908	1.9
133.10143	9.8
136.06219	1.5
139.11192	31.6
142.64079	1.5
145.04991	4.5
151.11194	100.0
169.12259	56.9
182.29723	1.5
187.13316	6.1
193.04974	4.7
222.07669	1.7
253.11874	1.5
281.06482	1.8
304.86423	1.3
359.46164	1.5
366.11581	2.5
366.22821	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74172	0.5
53.03943	0.5
55.01868	0.8
55.05508	0.8
57.03429	0.9
61.02930	0.6
67.05492	1.6
69.03423	2.1
69.07070	2.6
69.88386	1.9
71.04996	7.3
81.03394	0.6
81.07057	7.3
82.63293	0.4
82.63837	0.4
85.02905	5.3
85.06547	1.2
86.99046	0.5
87.00809	0.6
93.07040	1.6
95.04986	0.7
95.08610	10.3
97.02876	1.7
98.21416	0.7
99.04459	20.5
99.08100	6.3
105.01857	1.3
107.08580	1.3
109.02845	1.0
109.10163	6.2
111.08088	21.3
113.06036	1.1
121.10128	0.6
123.11720	9.4
125.09639	2.2
127.03902	2.1
133.10133	1.6
141.12770	3.4
144.18318	0.4
145.04968	1.0
151.11183	9.7
169.12247	100.0
170.12575	1.0
186.62440	0.5
187.13303	21.6
260.21103	0.6
315.90082	0.5
365.39694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	0.9
69.28727	7.1
70.06587	0.9
73.38120	0.9
75.43777	0.9
81.07031	1.1
86.09708	59.7
91.05459	1.8
93.07021	1.1
98.27479	1.0
103.05446	2.9
107.04958	1.0
107.08546	1.3
120.08108	79.1
128.10716	34.9
131.04926	2.1
141.49942	0.8
149.06006	1.8
151.07523	1.1
156.10201	22.8
161.05995	1.3
166.08647	100.0
239.51434	0.9
246.36159	0.9
277.11664	0.9
321.18094	2.8
324.82333	0.9
343.33676	1.0
366.14069	2.0
371.60846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01862	1.4
55.05507	1.2
55.42362	0.9
56.96571	84.9
57.03432	4.6
58.06604	5.4
60.95863	1.2
61.01142	1.0
61.02925	5.4
62.03239	1.0
64.96565	1.0
67.05504	2.8
68.80223	1.1
69.03439	13.5
69.07071	1.3
69.49778	6.8
70.06604	3.2
70.98134	18.0
71.05009	1.8
71.95261	2.2
72.08173	1.6
73.02921	6.8
74.97630	3.4
79.05502	8.5
81.03418	5.3
81.07059	2.0
82.98142	1.4
83.04967	1.8
84.08143	1.6
84.96040	8.2
85.02916	29.4
86.97601	4.1
87.04467	1.9
88.99164	7.5
89.03922	2.0
91.03959	1.4
91.05474	3.7
92.16927	1.1
93.07050	3.1
95.04992	2.5
95.08612	2.4
97.02912	9.8
98.97595	77.8
99.04472	2.8
100.99162	15.9
101.00890	2.8
103.00684	2.2
105.07050	3.1
107.05000	1.9
107.08587	4.2
109.02879	3.5
109.06520	3.4
110.97576	29.8
111.04411	1.3
112.95541	1.8
112.99152	8.5
115.00732	5.0
115.02546	1.0
116.98633	26.2
117.03428	1.1
119.00219	5.1
119.01881	5.2
119.04926	2.4
121.01657	2.6
121.06520	4.0
123.01195	1.6
123.08100	3.6
124.99118	5.1
126.97055	4.8
127.00693	1.3
127.03938	9.6
127.08672	1.5
128.98628	26.0
130.96568	2.5
131.00179	7.8
131.01903	3.9
132.98064	1.8
133.01759	10.0
134.99663	4.2
135.04398	3.2
137.05977	9.8
140.98633	3.6
143.00188	12.1
143.01924	3.3
144.98102	60.7
145.01707	3.9
145.04988	7.3
146.99654	13.0
147.03247	2.4
147.04449	3.1
148.97598	1.5
149.01234	3.0
150.99133	2.5
152.98576	3.2
155.00177	1.5
155.01875	2.0
155.02950	1.7
155.08188	2.0
157.01656	1.7
157.03479	2.9
158.99680	23.4
159.03220	1.7
159.05060	1.5
161.01228	11.1
161.02960	3.1
162.99162	37.4
163.02734	5.9
163.03946	12.9
163.06007	1.5
164.04233	1.3
164.07028	2.2
165.00761	3.0
165.05519	1.5
167.07019	1.4
169.01735	1.8
170.99718	7.7
171.38208	1.2
172.05742	3.8
172.97606	1.3
173.01266	6.4
173.02850	2.5
174.99170	4.7
175.02766	4.7
175.04404	2.3
176.03503	1.1
177.00731	19.0
177.02216	1.9
178.03896	1.6
179.02293	2.8
180.05411	2.4
181.00197	5.1
181.06158	2.4
182.99782	1.4
184.03087	1.9
184.53288	1.6
185.01291	2.6
185.04973	1.7
186.00722	1.2
186.99133	17.9
187.00703	1.8
187.02791	3.7
187.04465	4.9
189.00681	9.0
189.05969	2.3
189.99722	1.7
190.98615	3.4
191.02287	3.8
191.03880	2.5
191.54054	1.1
193.00229	2.5
193.03723	1.8
195.01691	1.5
196.04173	5.6
197.01280	3.0
198.04753	1.4
200.02614	1.3
200.04468	6.7
201.00768	7.4
203.02283	4.2
203.05743	1.8
205.00224	88.8
205.03520	2.3
205.05569	2.2
207.01886	3.7
208.99625	1.5
211.02921	1.5
211.04759	1.6
215.02325	1.7
215.05824	2.4
216.22989	1.1
217.00229	1.7
217.02043	1.6
217.03905	1.6
219.01791	20.4
220.99715	1.7
221.03294	2.4
223.01263	95.8
223.04852	2.7
224.04524	1.7
225.09999	1.1
228.01810	2.1
228.42540	1.2
229.00316	1.8
229.03755	2.7
233.03352	5.2
235.01135	2.3
237.02838	20.8
239.06288	1.2
241.02113	7.5
244.99747	1.4
246.02965	2.6
247.01289	100.0
247.04803	5.3
249.02892	2.2
251.04437	37.0
254.59332	2.0
255.03882	3.0
259.01273	7.8
261.02725	2.7
261.08472	1.5
262.08942	1.7
263.00854	1.1
265.02350	69.6
265.05383	2.3
267.03943	2.6
268.07040	3.5
269.05475	9.3
271.09451	2.9
272.06592	1.4
274.05984	1.7
277.02271	14.0
277.07532	5.0
279.03995	4.3
281.06491	1.2
285.02753	1.9
288.03952	4.2
288.07657	1.2
289.02417	1.2
291.03903	1.2
291.07465	2.4
292.07062	1.3
295.03409	2.9
295.06677	1.2
303.03897	3.4
305.05423	5.4
307.03348	6.6
307.07068	6.9
309.08255	1.2
321.04846	1.3
323.12604	1.4
325.04645	1.9
325.08005	6.0
327.03735	3.0
331.03314	2.3
335.06412	1.3
349.04385	18.6
367.05551	10.2
367.09543	18.5
367.18839	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.01874	11.5
55.05505	14.0
57.03427	8.4
57.07082	2.6
59.94608	2.1
61.02916	8.0
66.50730	1.8
67.05508	18.5
68.99797	11.4
69.03430	59.0
69.07071	23.5
70.07407	1.8
71.01346	4.6
71.04980	4.6
71.16198	1.9
71.19354	3.0
73.02925	4.6
77.34718	1.7
79.05491	27.8
80.89101	1.8
81.03420	25.7
81.06596	3.3
81.07056	56.2
83.04991	13.0
83.08620	8.0
85.02435	3.7
85.02908	41.8
85.06541	14.3
87.00832	24.4
87.04452	3.2
87.50471	2.0
91.04913	2.0
91.05478	35.1
93.07047	60.6
95.04463	2.0
95.04971	11.8
95.08600	25.9
97.02909	19.0
97.06522	8.5
97.10188	2.4
98.69170	1.8
99.04445	5.6
99.08089	5.7
103.03947	5.2
103.05446	4.0
105.01846	6.2
105.07034	82.4
107.04953	17.7
107.08594	49.8
109.02876	3.8
109.06522	9.0
109.10154	9.2
111.04416	5.9
111.08091	20.0
111.11723	4.8
115.03939	6.6
115.05459	3.6
117.01840	3.1
117.07016	13.4
119.04965	3.0
119.08583	55.0
121.06491	23.4
121.10149	27.3
123.04427	3.9
123.08069	11.1
123.11718	6.3
125.05983	3.1
127.03926	3.1
127.07590	2.3
128.06227	7.2
129.01828	8.5
129.07011	10.4
130.07767	2.8
131.04881	1.8
131.08574	26.9
133.06502	11.2
133.10124	24.4
135.04414	2.1
135.08049	12.2
135.11696	15.3
137.05975	4.9
137.09627	6.0
137.13268	3.7
139.11191	3.2
142.07803	9.3
143.08556	31.5
144.09326	5.2
145.04869	3.4
145.06517	6.9
145.10129	22.4
147.02824	2.9
147.08057	17.5
147.11691	100.0
148.08786	2.0
149.05997	2.9
149.09622	20.6
149.13261	51.6
151.07549	4.8
151.11139	5.7
153.12717	4.1
154.07721	2.3
155.08546	5.9
156.09373	4.5
157.10121	20.8
158.10895	3.0
159.02908	6.9
159.08073	9.5
159.11691	48.7
161.09621	14.9
161.13258	34.1
163.07483	3.6
163.11133	12.6
163.14824	3.2
165.09108	5.0
165.12764	19.2
167.14265	3.7
169.10121	5.8
170.10951	4.0
171.02890	3.6
171.08073	9.5
171.11708	8.0
171.17433	2.1
173.09631	4.9
173.13226	15.3
175.11198	8.9
175.14838	5.9
177.09166	4.9
177.12741	37.6
179.08525	2.8
179.10635	2.9
179.14267	13.5
183.11751	5.8
185.09660	6.2
185.13266	15.1
187.11205	9.0
189.03931	4.8
189.09129	3.8
189.12738	27.3
191.10643	2.3
191.14326	25.9
193.15894	2.6
195.13892	4.8
197.13309	3.8
199.11143	4.8
199.14780	20.6
201.03883	5.7
201.12724	12.9
203.10680	5.5
203.14311	19.0
205.12253	15.9
207.13811	6.5
209.13290	6.7
212.11996	2.9
215.14323	6.7
217.15886	13.0
219.13783	6.6
221.15373	4.5
227.14308	33.4
231.14076	2.5
233.15364	4.9
235.17017	4.4
245.15379	73.4
246.15843	3.2
247.13322	2.6
263.16428	77.6
281.17636	3.1
291.12308	2.2
297.74237	2.0
305.17288	4.4
309.13565	2.6
323.18509	6.4
331.15427	3.5
349.16437	52.5
350.16928	2.5
367.11426	3.7
367.17694	53.8
368.32663	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	367.2482
Annotation	Betaenone A
Peak:m/z	Relative Intensity
51.74226	2.1
53.03954	5.0
55.01877	15.3
55.05272	2.7
55.05517	27.9
57.03442	20.1
57.07077	2.6
61.38932	1.9
65.03922	2.6
65.27650	2.1
66.12776	2.1
67.05515	65.8
69.03432	6.9
69.07075	31.1
70.64312	6.9
71.05002	6.2
79.05501	51.5
81.03449	4.6
81.07064	100.0
82.50339	2.2
83.04991	9.7
83.08630	13.3
85.02923	2.6
85.06561	5.7
91.05492	43.2
92.35382	2.1
93.07050	43.3
93.34795	2.0
95.04977	9.9
95.08619	46.6
97.06540	17.5
97.10175	6.2
99.08067	3.7
105.04491	2.9
105.07047	41.7
107.04977	8.2
107.08601	38.1
109.06573	12.7
109.10155	20.9
111.08091	7.8
114.86092	2.1
115.05457	2.9
117.07029	14.8
117.18442	2.2
119.08596	41.3
120.93531	1.9
121.06532	6.3
121.10148	21.0
123.08098	5.9
123.11744	7.9
125.09663	9.0
129.07019	5.3
130.07858	2.2
131.08588	17.5
133.10152	28.3
135.08086	6.0
135.11720	15.0
137.09650	6.2
141.06992	3.0
142.07806	2.6
143.08612	5.3
143.68842	2.4
145.10136	23.0
147.08151	2.7
147.11728	24.1
149.09647	15.8
149.13257	10.9
151.07500	2.3
151.11211	6.6
157.10164	9.5
159.11696	25.6
161.13326	5.2
163.11143	10.2
165.12770	5.3
169.10141	3.0
171.10251	3.5
171.11681	5.3
173.13272	8.4
175.11198	2.9
175.14835	2.3
177.12791	29.6
189.11229	5.2
189.12738	2.9
193.12363	2.8
195.13930	2.8
205.12209	4.2
227.12791	2.2
229.05066	3.2
229.19423	4.5
233.18907	2.1
239.17990	6.8
243.06638	6.1
247.20657	7.5
251.20059	2.5
257.19116	12.4
267.15848	2.3
269.17514	6.3
275.20078	75.2
285.17093	2.4
291.27756	2.3
293.21100	6.1
331.22928	2.9
335.09109	3.0
344.55121	2.4
349.23767	35.9
367.11710	5.8
367.24918	49.3
368.25302	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.5
55.01875	8.8
55.05514	22.6
57.03451	18.4
57.07079	3.4
67.05509	56.3
69.03418	11.9
69.07060	18.8
71.04980	4.5
71.51923	4.0
79.05504	50.3
81.03430	4.0
81.07065	100.0
82.07393	3.0
83.05006	7.7
83.08624	18.2
85.06550	6.3
91.05484	32.9
92.94579	3.4
93.07047	35.6
95.04974	12.5
95.08622	34.9
97.06517	9.3
97.10180	3.7
105.07040	38.8
107.04929	7.2
107.08598	28.6
109.06525	13.7
109.10163	24.5
111.08083	7.0
116.16685	3.5
117.07018	12.7
119.08583	35.5
121.06534	4.9
121.10166	15.7
123.08083	8.5
123.11687	5.8
125.09727	3.9
129.07013	4.5
130.07860	3.5
131.08600	16.1
133.06531	3.6
133.10149	28.8
135.08038	6.8
135.11705	10.1
137.09669	4.8
143.08586	5.1
145.10173	17.1
147.11661	18.1
149.09608	9.0
149.13319	8.7
151.11153	4.8
157.10225	7.0
159.11725	14.4
161.13304	3.1
161.56386	3.4
163.11192	5.0
165.12776	7.4
165.32941	3.4
173.13261	7.0
175.11134	4.0
175.14896	3.5
177.12689	7.2
188.08600	3.5
229.04945	4.1
229.19563	4.0
243.06631	5.3
247.20546	5.3
255.16095	3.7
257.19019	8.6
269.17517	7.4
275.20123	61.4
293.21246	4.9
349.23779	23.6
367.11798	9.8
367.24863	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.9
55.05510	27.1
56.23247	2.8
57.07063	12.6
59.04959	4.1
64.23672	2.5
67.05508	40.6
69.03430	3.9
69.06744	2.7
69.07070	21.8
70.10456	8.8
70.10877	5.5
71.04976	8.5
79.05491	42.5
81.07059	57.8
83.04979	5.2
83.08614	8.5
85.06552	9.2
91.05484	62.1
93.07043	73.5
95.04968	31.6
95.08602	55.1
97.06520	11.7
100.39507	3.2
103.05466	4.9
105.07034	90.3
107.08598	62.3
109.06532	17.0
109.10165	49.6
111.08055	5.2
115.05443	5.2
117.07020	24.7
119.08588	100.0
121.06481	9.6
121.10136	55.3
123.08035	5.5
123.11689	15.9
128.06215	14.1
129.06996	12.2
130.07788	10.4
131.08583	58.9
133.10133	67.0
135.08041	22.5
135.11696	23.2
137.09607	7.9
141.07001	6.5
142.07779	21.3
143.08559	42.5
144.09358	14.0
145.10129	73.4
146.07307	9.3
147.08025	12.9
147.11661	23.0
149.09610	17.1
155.08580	11.8
156.09366	14.8
157.10141	63.4
158.10886	10.4
159.08093	5.7
159.11714	44.2
161.09627	46.8
161.13280	8.2
163.11166	4.6
165.07013	3.3
167.08478	4.0
168.09326	3.7
169.10132	11.6
170.10840	6.4
171.11696	30.4
172.12442	5.8
173.09598	7.3
173.13258	24.9
175.11206	9.9
175.14850	20.7
177.12799	5.5
179.08566	9.1
181.10124	8.7
182.10863	6.6
183.11728	25.5
184.12515	4.6
185.09587	5.0
185.13226	14.3
187.11140	4.4
187.14812	14.8
189.12856	5.6
193.10144	6.5
194.10924	8.8
195.11670	10.6
196.12415	4.7
197.13173	16.3
198.13995	4.9
199.14789	8.9
201.12662	8.7
201.16393	13.5
205.15878	4.0
207.11699	4.6
209.13222	25.5
210.14061	4.8
211.14796	10.8
213.16315	4.6
217.15924	4.2
223.14824	5.7
227.14345	21.5
227.17888	3.0
231.11816	4.4
237.16335	4.1
239.17990	8.0
251.17905	3.9
255.17432	7.5
257.19034	7.0
265.19421	5.1
267.17413	6.0
269.18921	6.0
331.24115	4.0
345.01425	3.2
349.25159	13.4
367.26276	20.7
393.77850	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	368.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
55.01871	9.5
55.47145	1.3
57.03433	7.1
59.04982	1.9
61.02933	7.9
69.03437	36.1
69.60879	8.0
71.04987	6.3
71.57142	1.3
73.02930	12.5
81.03421	30.9
83.01379	1.5
85.02912	95.4
85.06541	2.1
87.00837	41.8
87.04467	2.4
91.03983	2.8
97.02896	44.2
98.20752	1.8
99.04460	16.7
101.02398	1.8
103.07555	1.8
105.01870	71.1
109.02887	36.0
115.03991	1.6
117.01864	5.4
127.03928	100.0
129.01840	4.1
145.04976	57.9
147.02913	3.5
159.02905	31.5
171.10237	2.8
177.03947	2.3
189.04005	2.4
213.03932	4.2
231.05006	32.0
249.06047	10.2
304.08871	1.4
308.43274	1.5
356.11813	1.6
368.13257	1.5
368.17392	2.4
368.21198	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.4
55.01873	11.4
55.05516	2.5
57.03428	6.4
61.02924	7.4
67.05500	2.8
68.99783	2.8
69.03432	39.4
70.06596	3.0
71.04988	6.8
71.51284	2.1
72.08156	1.3
73.02921	8.1
81.03420	29.0
81.07045	1.8
83.01346	1.6
83.04980	1.6
84.08142	3.6
85.02910	100.0
85.06541	10.2
87.00832	37.1
87.04463	2.8
90.36570	1.4
91.03942	3.0
91.05476	2.0
93.07044	5.1
97.02898	46.7
97.03526	2.3
99.00780	1.4
99.04454	20.7
103.07601	3.2
103.21255	1.3
105.01868	59.1
105.07043	2.4
107.08585	1.7
109.02885	27.9
111.08044	2.0
115.03927	3.1
117.01852	4.4
117.03380	1.9
121.12879	1.5
123.04395	1.8
125.09626	2.0
127.03922	85.4
129.01823	3.4
135.08009	1.9
137.05984	2.2
143.10725	1.4
145.02942	3.5
145.04962	55.2
147.02962	2.5
147.04338	2.0
153.09071	3.7
155.06914	1.8
159.02899	24.7
163.03856	3.1
163.07553	1.7
166.08604	1.4
167.07028	5.8
171.10165	8.8
177.05453	6.8
180.10210	1.7
189.04036	1.8
190.60863	1.3
194.09355	7.0
206.15402	3.2
208.09746	3.8
213.03952	3.0
221.07806	1.4
231.04984	28.6
231.24684	1.3
242.90042	1.3
249.06024	7.2
324.11487	1.9
333.11264	2.1
351.11807	1.8
368.14145	6.2
368.20731	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	368.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05494	1.8
59.04990	1.9
67.05502	1.4
69.03432	1.5
69.07056	1.9
70.06596	2.4
70.89059	2.5
71.04996	13.5
72.08151	1.1
72.35561	0.9
73.06547	3.4
79.05476	3.9
81.03421	2.1
81.07059	17.2
84.08159	2.7
85.02898	4.4
85.06530	1.8
86.09711	1.5
91.05476	2.3
93.07038	10.7
95.08620	2.3
97.06508	1.2
105.07007	1.3
107.08612	8.2
109.02890	1.2
109.10169	2.1
131.04909	1.0
135.11708	18.5
137.05983	1.2
145.04977	2.0
153.12753	100.0
154.13103	1.4
164.06995	1.6
171.13844	1.3
172.49939	1.0
177.05489	1.8
200.24213	1.0
301.68021	0.9
368.20831	2.0
369.14676	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51499	0.5
55.01889	0.5
56.96561	0.4
66.13801	0.4
69.03419	1.5
70.01701	1.8
71.05000	0.4
73.02902	0.4
81.03406	0.8
81.07070	0.6
83.38844	0.4
83.81226	0.4
85.02888	1.5
91.05456	0.8
97.02880	0.8
98.97619	0.7
99.00594	0.4
105.01897	0.4
105.06980	0.4
109.06511	0.4
116.41846	0.3
119.04916	0.5
122.07123	0.6
127.03949	0.9
133.06529	0.5
133.21362	0.4
137.02106	0.5
137.05969	3.2
145.02798	0.5
145.31284	0.4
147.04414	1.0
148.62201	0.4
155.07045	0.5
157.13429	0.4
163.03868	0.6
163.07491	0.4
164.07059	0.5
167.07082	0.9
172.06879	0.5
177.05357	2.0
194.09381	0.6
201.03705	3.4
207.06523	0.8
231.04698	0.5
251.06961	0.5
259.07864	1.0
285.02759	0.6
298.94531	0.4
319.07919	0.6
327.03854	0.8
337.08920	13.8
337.12988	0.8
369.11560	100.0
370.11755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1181
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03936	1.6
57.03416	0.8
58.15373	0.5
65.03948	1.2
69.03431	4.6
69.38132	1.1
69.38541	2.5
71.05028	0.5
77.03925	0.7
77.18661	0.5
81.03422	8.9
81.07029	0.6
85.02906	5.1
89.03911	0.7
91.05487	25.3
97.02867	1.2
98.20777	1.1
99.04441	0.8
103.05460	0.8
105.03415	0.7
107.04996	0.6
109.02890	3.1
118.04124	0.9
119.04951	36.6
127.03944	1.4
131.04887	0.6
132.02045	1.5
135.04378	0.6
136.05147	0.6
137.05972	0.7
145.02859	0.8
146.03688	0.7
147.04417	31.3
149.02325	1.3
157.04010	3.8
164.04715	1.4
175.03918	52.1
178.79793	0.5
179.07031	2.7
192.04175	1.9
207.06537	100.0
208.06883	1.0
225.07573	1.8
239.49118	0.5
309.09818	0.7
351.10773	11.1
369.12180	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	369.1184
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03953	2.5
53.28386	0.5
55.01869	0.7
57.03443	0.9
61.02945	0.6
65.03939	1.0
67.05498	0.5
69.03430	8.0
69.86129	2.2
71.05014	0.5
73.02903	0.9
77.03918	0.7
77.43807	0.4
81.03423	14.5
85.02914	6.4
85.94152	0.4
89.03917	0.9
91.05488	21.6
94.97239	0.4
95.04966	0.5
97.02892	1.8
99.04436	1.6
102.61542	0.4
103.05407	0.9
105.03387	0.5
107.08561	0.5
109.02892	5.9
118.04185	0.6
119.04946	31.9
119.08566	0.7
121.06550	0.7
127.03920	2.5
129.03331	0.6
131.08569	0.4
132.02065	2.0
133.06506	5.9
133.10176	0.6
135.04436	0.5
140.43605	0.5
145.02869	0.5
147.04419	25.5
149.02330	1.4
157.03975	3.1
163.11171	1.5
164.04637	1.3
167.07051	0.5
175.03918	49.8
176.04312	0.9
179.06998	2.3
189.12723	2.0
191.14333	2.5
192.04204	1.9
207.06541	100.0
207.13864	3.3
208.06859	0.8
224.06821	0.6
225.07587	2.7
309.09729	0.6
351.10751	21.8
369.11673	6.2
379.75970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1184
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
53.03946	5.1
55.01871	5.6
57.03433	5.7
61.02929	4.2
68.99786	5.9
69.03436	21.6
71.02006	3.1
72.19868	2.1
73.02928	4.0
78.86845	2.0
79.05493	7.0
81.03433	23.2
81.07077	4.9
83.05000	3.2
85.02431	3.5
85.02911	37.5
87.00381	2.1
87.00828	12.7
89.03946	2.4
91.05492	25.1
93.07053	8.7
95.04963	4.4
97.02898	4.2
99.04464	4.6
103.03938	5.8
103.05479	8.8
105.01859	2.4
105.07043	23.6
107.04941	7.2
107.08614	10.7
109.02888	8.8
109.06600	2.6
109.10136	2.5
110.07821	1.9
115.05491	10.8
117.03377	5.4
117.07024	28.8
118.06519	6.5
119.04932	11.0
119.08589	5.5
120.84447	1.9
121.06512	40.0
123.04439	2.3
123.05531	2.0
124.07606	2.8
126.36521	2.1
127.03936	25.1
128.06227	2.7
129.01845	5.0
129.06964	4.8
131.04958	3.6
131.08627	3.8
132.08052	2.8
133.06517	17.3
135.08054	28.5
137.05974	7.1
139.03902	3.9
141.07010	3.1
145.02835	11.8
145.06497	47.0
145.10127	2.6
147.02919	2.8
147.04407	12.7
147.08025	4.8
147.11687	5.3
149.05980	10.2
151.07539	9.1
153.06958	3.7
155.06075	5.6
155.08519	4.0
156.06520	3.5
157.06477	14.0
158.07285	2.5
159.08026	9.3
159.11729	2.7
161.06023	5.1
161.13263	5.9
163.03958	3.3
163.07556	100.0
164.07068	20.8
165.05609	2.4
165.06918	5.4
171.02870	2.7
171.08044	2.8
173.09540	3.0
174.07730	2.6
175.03967	14.6
175.07532	13.8
177.05502	18.4
177.07857	7.2
178.04997	3.6
179.03450	4.5
179.06967	2.3
183.08096	10.3
185.05988	5.6
187.07593	14.9
189.03952	5.8
189.12721	7.9
191.65952	2.1
194.09377	2.9
196.05995	2.9
201.09152	11.5
203.07072	3.8
204.06421	2.2
207.06554	31.4
207.13797	23.2
211.07509	11.3
229.08606	31.6
247.09718	8.0
283.11786	8.3
307.09424	3.7
315.08582	2.8
323.13937	16.7
333.10135	2.4
351.10834	5.8
369.14737	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.05510	4.2
57.03435	2.5
57.07065	2.4
58.90174	1.6
59.04993	2.4
61.02927	3.8
67.05523	11.3
69.03436	20.9
69.07088	2.1
69.09203	1.8
69.67085	10.5
69.67451	3.5
71.04987	4.8
71.59352	1.7
76.50716	1.7
79.05502	3.1
81.03423	12.3
81.07045	5.3
83.04970	8.3
85.02441	2.9
85.02912	30.3
85.06537	1.9
85.52573	2.1
85.95433	2.0
89.03886	2.0
91.05497	12.2
93.07043	7.5
95.04974	5.4
95.08620	36.7
97.02891	10.3
99.04480	4.2
105.07034	18.5
107.04932	1.7
107.08593	14.3
109.02863	7.5
109.06507	6.7
109.10149	3.3
113.05997	4.1
117.03368	6.5
119.04979	8.9
119.08599	22.5
121.06505	3.4
121.10162	10.8
123.08076	15.5
123.11725	2.5
127.03918	6.1
131.08563	4.3
133.06506	3.5
133.10133	17.2
135.08051	5.0
135.11736	3.9
137.09654	9.9
143.08556	3.2
145.02866	15.3
145.04959	5.0
145.10114	4.8
147.04378	5.5
147.08086	8.3
147.11713	8.5
149.06036	2.9
149.09631	48.9
151.07610	2.2
151.11212	30.3
156.09338	6.8
159.08095	9.5
160.08835	3.6
161.09642	5.4
161.13272	12.2
163.11185	17.8
165.09091	2.2
165.12749	3.3
171.11655	10.5
174.10426	27.3
175.03896	12.4
177.05481	31.6
179.10710	2.8
187.11186	2.1
189.12764	100.0
191.14311	22.1
207.06558	20.6
207.13826	77.4
209.15413	1.7
289.27490	1.9
306.27603	2.0
351.10748	4.1
352.94522	1.7
369.18823	9.6
394.52905	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	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01863	4.5
57.03439	6.1
59.04989	6.6
61.02932	6.0
65.03947	2.5
67.05502	6.7
69.03094	2.9
69.03436	37.3
69.07059	2.6
71.04985	8.9
71.51878	4.0
79.05496	4.5
81.03415	10.3
81.07053	8.6
83.04971	4.1
85.02460	3.5
85.02918	49.9
85.06547	3.0
87.04471	3.7
91.05492	25.9
93.07034	8.3
95.04973	17.6
95.08599	7.2
97.02901	14.5
97.06566	2.9
99.04463	3.4
105.07032	18.2
107.04951	3.5
107.08601	17.5
109.02882	7.5
109.06521	56.3
109.10154	5.8
111.08086	6.0
111.49428	2.3
117.07028	3.0
119.04915	14.6
119.08585	23.7
121.10150	11.3
123.08077	41.9
123.11669	6.4
127.03923	17.9
129.06989	5.7
131.08577	33.9
133.06468	6.1
133.10132	6.3
135.08131	2.7
137.06012	18.7
137.09587	8.1
143.08562	4.9
145.02859	3.3
145.04955	9.2
145.10121	14.3
147.04401	14.2
147.08054	38.3
147.11710	16.3
149.05988	4.7
149.09648	25.0
151.07555	67.5
152.37901	2.4
156.09416	11.8
158.59384	2.3
159.08090	4.7
159.11728	5.1
161.09613	6.5
161.13275	8.4
163.03922	3.0
163.11188	11.1
165.12689	5.3
167.07104	4.0
171.11681	20.1
174.10403	4.3
175.03897	23.2
177.05467	5.0
177.12714	3.9
189.09082	3.5
189.12747	100.0
201.12701	2.8
201.53017	2.5
205.12271	4.8
207.06549	38.2
207.13814	71.3
222.11407	2.9
244.11127	2.5
247.14886	2.6
313.12808	3.6
333.16806	4.1
351.10791	5.9
351.17975	6.9
369.15158	9.7
369.19186	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	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.05502	6.0
67.05496	4.2
69.03439	26.5
69.07069	4.1
71.52058	3.1
73.02915	3.0
73.95750	1.8
79.05508	10.4
81.03415	13.6
81.07082	3.0
83.04976	8.7
83.08604	4.4
85.02911	21.2
91.05483	24.7
91.34776	1.8
93.07056	4.7
95.04964	5.5
95.08600	4.2
97.02888	9.2
97.06556	2.5
103.05460	3.1
105.07027	11.8
107.04914	3.1
107.08608	13.1
109.02856	6.3
109.06552	3.1
114.57781	1.6
119.04945	23.3
119.08591	8.2
121.06535	14.9
121.10152	5.8
123.08076	6.3
127.03902	6.8
128.06862	1.9
130.10225	1.7
131.08568	4.1
133.06500	100.0
133.10153	8.3
135.08058	7.0
137.05959	4.2
137.09639	2.4
143.08496	2.2
145.04938	3.2
145.10138	5.6
147.04388	21.3
147.05418	3.0
147.08099	4.9
147.11670	5.5
149.09624	3.8
151.07571	5.4
157.03961	2.5
158.10922	2.7
159.08000	3.2
161.09581	3.5
161.13187	2.3
163.11209	16.4
173.13254	7.1
174.10361	2.9
175.03931	34.3
189.12767	43.7
191.14322	55.9
207.06549	68.7
207.13828	55.8
215.65208	2.1
249.14885	2.9
315.08646	3.5
316.51511	1.8
351.10724	15.1
369.12933	6.6
369.18616	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01865	5.1
55.05506	7.4
57.03440	2.7
57.07066	4.6
59.04999	14.0
61.02931	2.5
63.19941	2.3
63.60236	2.2
63.61658	2.3
64.13342	2.3
65.03938	2.2
66.33380	2.1
67.05513	11.4
69.03439	16.8
69.07073	22.9
69.57524	14.6
70.06576	5.8
71.04990	8.2
72.08165	5.0
72.40185	2.1
73.02904	2.9
79.05485	6.4
81.03415	7.2
81.07060	12.3
83.08618	5.5
84.04499	2.7
84.08142	5.5
84.16088	2.3
85.02909	27.6
85.06550	3.0
86.03207	3.0
86.09734	2.1
86.17776	2.2
87.00804	4.7
87.04462	7.4
89.03893	3.3
89.06058	3.1
91.05497	13.2
93.07037	10.7
95.04959	3.0
95.08619	80.6
97.02904	7.3
97.06548	8.4
99.04421	4.7
105.01882	4.8
105.07037	6.6
107.04980	2.8
107.08625	14.4
109.02888	5.5
109.06500	2.9
109.10170	6.2
111.08130	3.7
113.09647	70.8
115.05358	2.6
115.07593	5.7
117.03379	6.4
117.07059	2.4
119.04947	7.5
121.06542	8.7
123.04424	3.3
123.11749	7.3
127.03929	12.4
127.08651	2.7
128.04274	4.4
128.06293	2.8
129.06862	2.6
131.08603	4.0
131.10678	56.0
133.06512	2.5
135.08035	3.9
135.11697	9.6
137.06004	20.7
138.05531	3.3
139.58556	2.3
141.12808	2.6
145.02872	16.0
145.04971	3.6
145.06523	6.2
145.10176	2.4
147.04449	11.0
150.05556	2.4
153.12744	10.4
155.07050	5.1
159.81059	2.4
163.03914	6.9
163.07587	12.4
167.07089	14.4
169.68767	2.3
171.13812	100.0
171.15295	5.2
175.03896	10.3
177.05464	28.5
179.06938	3.0
187.07532	3.3
189.12831	3.6
189.14900	4.8
194.09378	6.4
201.91673	2.2
207.06499	22.3
207.13997	3.0
207.15932	9.2
216.37802	2.2
229.08612	4.8
245.08107	2.8
273.78842	2.5
283.22324	2.3
291.10397	2.4
307.09677	4.1
309.11157	3.8
311.09265	3.3
337.10733	2.9
339.12274	4.3
351.11655	3.8
369.13721	12.0
369.20941	4.6
370.18369	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	369.264
Annotation	Carboprost
Peak:m/z	Relative Intensity
53.03940	3.2
54.69037	2.3
55.05509	6.9
57.07067	4.3
64.05540	2.4
67.05522	16.4
69.03418	3.4
69.07072	32.2
71.04987	6.8
71.52081	3.7
79.05498	11.3
81.07063	39.0
83.04987	4.7
83.08625	10.1
85.06558	3.8
87.97439	2.4
91.05498	5.0
93.07050	24.0
95.08609	31.6
97.06527	7.9
97.10146	3.5
99.04435	8.9
104.47784	2.6
105.07032	11.1
107.08595	25.0
109.06531	11.6
109.10164	18.0
111.11733	3.1
117.07054	2.5
119.04958	2.6
119.08577	7.8
121.10162	14.9
123.08078	7.8
123.11713	11.4
127.07545	6.3
131.08585	3.3
133.10159	20.6
135.08078	3.9
135.11725	23.9
143.08597	2.7
145.10129	4.9
147.11716	8.0
149.09564	3.0
149.13191	4.8
151.07555	7.9
151.11182	55.4
151.14851	2.8
153.09029	2.8
153.12749	11.0
157.10136	3.0
159.11725	7.2
161.09593	3.5
161.13220	6.4
163.11230	3.1
163.14851	3.6
171.11711	3.3
175.11221	5.0
175.14818	3.7
177.12785	3.5
179.10617	13.9
185.13275	2.4
189.12790	6.3
189.16370	4.2
191.17986	3.5
193.12213	3.5
199.14867	3.0
207.06522	3.9
207.13823	12.8
227.76753	2.6
245.08122	4.9
269.22644	6.4
287.23685	8.3
305.21371	3.9
305.24768	65.7
315.23251	7.1
323.25809	100.0
333.24237	34.5
351.25262	9.9
369.12866	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	370.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.5
57.07062	4.2
67.05502	6.9
69.03400	1.8
69.07074	9.4
70.76167	5.4
71.08643	10.1
75.30864	1.5
76.32763	1.7
79.05496	5.2
79.70644	1.6
81.07042	10.7
83.04967	1.9
83.08627	3.1
91.05471	4.5
93.07030	8.1
95.04955	5.3
95.08591	10.3
97.06537	3.0
97.10169	2.2
99.08100	11.6
105.07022	7.6
105.43028	1.7
107.08592	6.7
109.06503	13.1
109.10195	4.0
119.08556	6.1
121.06544	3.8
121.10160	5.4
123.11713	3.6
125.77942	2.1
131.08565	4.6
133.10167	3.1
135.08066	3.7
135.11610	2.2
137.05995	2.9
139.11115	2.7
145.10152	3.8
147.11772	2.3
149.09570	2.2
149.13275	2.1
151.07524	5.8
161.13301	2.2
163.11189	1.9
165.12755	28.9
166.13081	3.0
173.13210	2.2
176.08292	2.5
177.12738	4.4
181.15842	5.6
237.11208	3.8
251.16388	3.9
261.22180	13.2
262.22406	2.6
265.30569	2.1
279.23102	5.8
289.21637	40.9
290.21988	4.3
293.17343	3.7
307.22675	100.0
308.23019	2.4
325.23721	2.5
334.24564	2.3
352.25635	7.4
355.35294	1.9
370.32446	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	371.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
55.05515	1.7
56.05038	1.2
57.03432	1.1
61.02945	1.0
67.05511	1.6
69.03429	2.7
69.07072	1.4
69.47771	6.5
70.06597	2.6
72.08151	1.3
73.02926	1.0
73.04765	4.3
79.05494	3.2
81.03424	2.2
81.07063	3.1
83.04977	1.9
83.08624	2.3
84.08168	1.6
85.02901	3.5
89.03926	4.3
91.05882	7.5
93.07052	2.5
95.01349	1.5
95.04988	9.1
95.08624	1.5
97.02909	2.7
98.06065	1.0
99.04482	1.2
101.06028	1.5
103.05506	2.2
105.07043	2.8
107.04964	7.5
107.08607	1.6
109.02871	2.5
109.06538	2.2
109.10155	2.2
111.04472	2.2
117.03383	5.9
117.06978	1.0
119.04948	3.5
121.02803	1.2
121.06495	1.9
121.10145	2.6
123.04443	3.9
123.11754	1.3
126.25810	1.0
127.03915	2.3
129.05533	1.4
129.07022	1.2
131.04938	2.7
133.06509	2.1
133.10141	2.2
134.06021	7.1
135.04436	17.8
135.08096	1.3
137.02351	10.5
137.06003	3.8
138.03181	1.5
139.03917	4.2
141.01816	1.5
145.02852	10.4
145.05115	1.1
147.04411	10.4
147.06535	1.4
149.02318	2.4
149.05943	1.0
149.13249	1.4
150.09149	14.0
151.03955	1.2
153.05476	80.0
153.09103	1.9
157.06418	1.3
159.04417	1.7
161.06004	1.2
163.03917	100.0
163.09946	9.8
165.05460	1.7
167.03516	1.3
167.07051	2.6
167.14366	2.9
175.03937	1.9
177.01866	3.1
177.04024	1.7
177.05479	3.4
179.03368	1.9
179.84790	0.9
181.05026	3.4
187.03943	2.3
189.05504	1.6
190.08707	1.3
191.14351	1.2
193.05020	4.4
195.06543	22.1
195.08980	2.0
197.04469	2.3
203.03416	31.9
205.05029	4.0
208.09702	2.3
209.15388	4.4
215.03401	6.7
217.05058	1.3
217.08661	2.2
231.02902	4.8
233.04552	3.8
235.54076	0.9
237.02887	1.0
247.65453	1.1
257.04385	1.4
261.03931	4.3
267.08868	1.2
268.97998	2.9
275.05460	2.4
279.05017	10.5
285.00974	3.6
291.05042	7.8
299.06351	1.4
310.12051	1.1
311.12885	1.9
311.74597	1.1
321.06046	3.1
323.12756	1.6
325.15405	12.7
339.07196	12.9
353.13828	3.9
355.06970	4.0
371.16055	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01871	2.8
55.05500	2.8
57.03427	2.0
57.07067	3.0
59.04983	2.5
60.22556	1.0
63.56832	0.9
65.83157	0.9
67.05514	3.1
69.03432	7.5
69.07057	3.2
70.06583	3.0
71.05003	2.6
71.51584	1.2
72.08141	1.4
73.02897	1.3
79.05506	5.7
81.03416	6.0
81.07053	10.1
83.04992	6.1
83.08616	5.4
84.08108	1.2
85.02455	1.2
85.02921	14.7
85.06533	1.7
86.03241	1.6
87.00834	1.2
87.04460	1.2
89.03925	4.2
91.05459	2.5
91.88247	0.9
93.07072	6.0
95.01340	1.3
95.04978	18.1
95.08619	5.3
95.94680	1.1
97.02901	5.0
97.06562	2.1
99.04493	5.1
101.35198	1.1
105.01878	2.1
105.07020	5.5
107.04979	4.9
107.08608	6.9
109.02903	5.4
109.06503	6.0
109.10165	6.7
111.04417	3.3
111.08107	2.4
117.03384	6.0
117.07011	1.7
119.04968	1.2
119.08617	2.4
121.06487	1.4
121.10182	5.7
122.03628	1.0
123.04444	2.6
123.08074	3.9
123.11694	3.0
125.09618	1.8
125.13273	1.1
127.03930	10.4
128.04327	1.1
129.05487	1.1
129.07011	1.6
131.04936	1.6
131.08606	2.0
133.10139	3.6
135.04431	16.3
135.08072	4.2
135.11707	1.6
137.05954	7.9
137.09630	1.5
138.03101	2.0
139.03888	2.8
145.02859	10.6
145.04961	2.8
147.04430	7.6
149.02335	2.3
149.05911	1.3
149.09738	1.0
149.13223	6.1
151.11203	3.0
153.05481	81.5
153.09062	6.5
155.79756	1.1
156.05730	2.1
159.04431	2.3
161.09590	1.2
163.03914	100.0
163.14749	1.4
164.07219	1.4
165.07864	1.2
167.07042	8.9
167.14328	7.9
173.13271	2.6
175.03882	1.6
175.07498	1.4
177.01848	3.7
177.03998	2.0
177.05482	2.9
180.10182	1.0
181.04959	3.0
187.03972	2.7
187.07588	1.8
189.05463	2.6
189.12700	1.3
191.03365	1.6
191.10669	2.2
191.14297	5.6
193.00441	1.0
195.06560	25.0
195.08241	0.9
201.05627	1.1
203.03404	37.7
205.04987	4.7
205.06946	1.5
208.09647	2.1
209.11919	1.2
209.15399	12.8
215.03311	6.0
217.04961	1.2
217.08551	5.0
221.04373	1.8
229.04955	1.8
231.02864	4.9
231.08485	1.8
233.04427	2.8
235.07643	1.7
247.09740	1.6
250.09991	1.2
257.04370	1.1
261.04047	4.9
261.09058	2.3
275.05399	2.3
277.08646	1.3
279.05020	13.4
280.07123	1.1
285.07489	2.7
291.05011	7.4
291.09976	1.7
295.09695	2.6
300.09598	1.9
300.12610	1.4
309.11072	1.9
311.12714	1.4
313.10715	1.3
321.06012	2.9
321.11066	3.1
323.09152	1.2
323.12778	1.5
327.12366	1.6
328.56363	1.0
339.07068	9.4
339.12073	1.6
353.13721	6.4
371.16803	11.3
371.21127	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
53.65842	0.9
53.67497	0.9
67.05479	1.4
79.05482	2.4
81.07069	1.2
84.71301	1.0
85.02900	1.4
91.05484	2.5
92.62705	1.0
98.21640	2.0
103.05492	1.2
105.07087	1.0
107.04951	5.1
107.08557	1.3
111.06804	1.0
115.05492	1.6
121.06528	1.1
122.03654	1.2
124.05170	1.4
128.06180	1.6
129.07010	3.4
131.04927	1.2
131.08591	3.1
137.05984	16.0
144.05701	1.1
145.06487	2.2
147.04420	1.2
151.03914	2.1
151.07512	2.1
156.05704	3.7
157.06535	2.7
159.08069	4.0
160.05092	1.4
165.06923	1.6
166.07800	1.5
167.07077	14.9
175.07570	2.4
177.05504	2.5
178.07802	3.3
179.08559	1.7
179.65134	1.1
181.06483	2.8
186.06725	1.1
187.07541	5.3
189.07149	1.7
190.07793	2.0
191.08582	1.4
193.06517	1.2
194.07358	3.5
195.08063	2.5
199.07446	1.5
202.07887	1.8
203.08549	2.4
205.06509	2.6
205.10158	1.9
206.07253	3.2
207.08070	4.8
209.06134	1.7
211.07542	1.6
215.08693	2.8
217.08568	10.9
218.07300	4.3
219.08087	2.4
219.10153	1.7
221.06049	3.4
221.09601	3.9
222.06830	4.6
223.07556	4.7
224.08337	3.5
231.07973	2.3
232.08896	2.1
232.16701	1.0
233.06039	1.4
233.09634	4.1
234.06726	8.3
234.10406	1.8
235.07617	8.1
236.08391	3.5
237.05414	2.7
237.09128	4.0
238.10019	1.1
239.07106	3.5
241.08746	1.7
246.06779	2.3
247.07661	1.9
247.09703	3.9
248.08493	2.8
249.05342	1.8
249.09142	15.6
250.06181	4.8
250.09943	4.3
251.06985	6.1
252.07840	12.3
253.08673	2.5
260.08423	2.4
261.09198	4.7
263.07114	6.5
263.10861	1.5
264.07745	6.4
265.04993	3.0
265.08655	21.5
266.09393	13.8
267.09995	2.5
267.39511	1.1
268.07379	1.3
271.62302	1.0
275.10620	1.3
277.08609	9.5
278.09467	4.6
279.06705	1.7
279.10193	2.0
280.07358	13.0
280.10416	1.3
281.08133	7.4
281.11581	2.4
281.76401	1.1
283.09845	1.3
285.07584	9.8
289.08606	1.9
291.10471	1.1
292.07300	1.2
292.10809	1.9
293.08151	4.8
293.11765	13.2
294.08774	2.7
295.09720	5.5
296.10364	11.1
300.09894	11.0
301.10620	2.5
306.08957	2.8
307.09708	2.6
309.11292	6.6
310.11942	1.5
311.09525	1.7
311.12793	11.0
312.10013	1.3
313.10760	2.8
321.11224	11.8
323.09009	1.7
324.10059	2.5
325.10779	2.3
326.11517	3.3
327.17361	1.1
338.11584	4.0
339.12280	100.0
340.13010	8.2
341.13983	4.9
353.09967	2.0
353.13828	12.0
371.14935	59.4
372.15286	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.8
66.84051	2.9
70.39159	8.5
79.05499	7.7
91.05479	6.8
93.03405	2.5
93.07080	2.4
94.04176	2.8
95.04964	2.6
107.04971	21.8
109.06532	3.0
115.05495	3.7
116.06189	3.3
120.66099	2.5
122.03659	8.0
125.05984	4.3
128.06223	8.6
129.07010	17.4
131.08569	11.8
133.02789	2.9
137.05984	100.0
141.07040	6.4
143.04865	2.6
144.05687	10.7
145.06512	3.3
149.06003	3.7
151.03918	14.2
151.07491	13.3
153.05443	3.3
156.05705	27.5
157.06482	8.1
158.07309	3.5
159.08043	18.4
165.91557	2.4
167.07053	48.3
169.06442	4.0
172.05186	5.2
173.54121	2.3
174.06726	4.7
175.07559	9.2
177.05487	6.4
178.07820	4.0
181.06444	3.3
184.05257	3.1
186.06767	3.0
187.07544	25.4
189.07356	2.9
189.09145	8.8
190.07811	3.5
193.10202	2.9
195.08182	3.5
197.05957	2.6
201.09093	4.9
202.06262	7.6
202.07869	3.9
203.08597	10.3
204.07834	2.8
205.06540	3.1
205.08604	6.1
206.07281	5.3
207.08029	4.7
209.06064	2.5
211.07570	5.7
215.06854	5.1
215.08624	8.1
217.06682	4.1
217.08604	87.6
218.07294	13.6
218.09050	2.9
219.08083	9.6
219.10095	5.1
221.09557	11.2
222.06828	2.9
223.07497	4.2
224.04588	2.7
226.06256	3.7
231.08087	9.9
232.09010	3.0
233.09601	19.2
234.06743	9.5
235.07481	14.3
237.05344	2.8
238.09782	5.7
239.07040	24.8
240.07863	2.8
241.08569	14.9
242.05736	6.4
246.06880	3.7
247.07414	8.2
247.09703	30.7
248.08337	3.4
249.09163	21.6
250.09848	4.6
251.07065	7.0
251.10750	4.9
252.07787	8.5
257.08194	7.9
260.08344	7.9
261.09158	28.5
262.06308	3.4
263.07056	11.5
263.10794	4.4
264.07849	3.8
265.08557	5.2
266.09384	6.7
269.08087	7.8
271.06079	6.3
274.06339	2.6
275.10834	2.9
277.08606	27.3
278.09372	17.1
279.06534	5.9
279.09991	3.6
280.07388	8.4
281.11801	7.3
283.09717	4.3
285.07568	67.7
289.08636	13.0
290.09445	3.3
291.06503	5.6
291.10117	6.8
292.10590	2.4
293.08249	5.2
293.11700	19.5
294.08838	5.6
295.09650	6.9
298.08472	4.7
300.09946	76.8
300.13348	4.9
301.10669	15.9
306.08829	7.4
307.09720	9.9
308.06833	4.2
308.10272	3.9
309.11191	29.6
310.11914	2.4
311.09100	4.3
313.10669	11.9
321.11185	35.4
322.11841	4.2
323.09201	7.4
326.11542	24.1
338.11453	5.2
338.93417	2.4
339.12143	6.1
341.13773	21.2
343.15631	4.2
353.13849	80.4
353.64508	2.4
371.14883	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83852	0.8
52.88217	0.9
53.03945	1.0
58.51239	0.8
58.75989	0.8
62.58624	0.9
64.17492	0.8
69.03415	1.0
70.48013	2.4
71.04968	1.3
78.04715	1.8
79.05500	5.6
80.67759	0.8
81.07050	2.9
85.02913	2.2
85.06579	1.3
91.05476	6.2
93.07037	1.3
95.04968	17.6
95.08621	1.0
97.02894	0.9
99.04457	4.7
100.11229	1.3
103.05492	2.2
105.07037	7.6
106.04160	2.5
107.04961	12.3
111.08961	1.0
115.05462	4.1
117.07077	1.0
118.04139	1.2
119.08614	2.4
121.06564	1.9
122.03658	1.7
123.04450	4.8
124.05226	3.8
128.06244	3.4
129.07007	10.8
131.04935	3.0
131.08559	1.9
132.05705	3.7
133.06508	5.1
133.10136	5.8
135.04413	1.1
137.05978	4.1
140.04712	1.6
144.05673	1.7
145.06509	2.2
147.04382	1.2
147.08075	3.0
149.05934	0.9
151.03914	2.0
151.07628	1.4
152.04735	2.8
153.05530	1.8
153.09090	6.4
153.10181	1.0
155.04898	1.8
156.05734	2.4
159.08070	8.0
160.05206	1.7
161.05981	8.8
167.07048	100.0
171.08159	1.2
172.05267	2.1
173.13297	2.2
175.07555	23.7
175.09048	1.5
177.05438	1.6
178.07773	1.6
179.07014	1.2
181.04962	2.6
187.07556	25.4
189.06964	1.6
189.09140	2.1
190.07896	1.1
191.07031	6.3
191.08511	1.6
191.14355	3.6
193.10107	1.1
193.52182	0.9
195.08134	1.0
199.07549	6.7
202.07796	2.0
203.08548	3.4
205.06400	1.6
206.07323	4.0
207.10210	1.0
209.08110	2.1
209.15359	8.9
215.08592	2.0
217.08615	2.3
218.07269	2.7
219.08064	4.0
221.09633	4.9
231.08078	2.8
232.08862	1.6
233.09669	2.3
234.06703	4.6
235.07552	3.9
243.08011	1.7
246.06815	2.0
247.07431	1.6
248.08455	1.5
249.09059	7.1
251.06972	2.8
252.07979	0.9
260.08514	1.2
261.09030	2.6
263.07104	2.3
265.08597	2.1
266.09326	1.6
276.07727	1.2
277.08694	3.4
278.09381	2.1
279.06500	1.0
281.11740	12.3
289.08524	2.9
293.11743	2.2
295.09717	1.5
300.09979	1.3
306.08887	1.3
307.09637	1.5
309.11209	13.3
310.85071	0.9
311.09244	1.8
314.52750	0.9
321.11136	4.7
322.11816	1.1
326.11542	3.8
329.53732	0.9
341.13831	17.6
353.13757	5.6
362.27509	1.1
371.14801	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	371.1493
Annotation	(2S)-5,7,4'-Trihydroxy-3'-methoxy-6-(1,1-dimethylallyl)flavanone
Peak:m/z	Relative Intensity
52.20039	0.4
52.27592	0.4
53.03958	0.8
55.01878	1.9
65.03944	1.6
67.05497	1.8
72.35265	0.4
77.03898	0.4
79.05502	1.1
85.02898	0.5
91.05486	1.7
94.04219	0.6
95.04951	1.0
97.84697	0.4
107.04961	5.3
108.02109	2.0
108.05742	1.7
109.02827	0.4
109.06505	0.5
111.04444	0.5
115.05453	0.8
117.07027	0.6
121.06538	0.4
122.03671	1.2
135.04416	1.8
136.01537	0.5
136.05197	4.2
137.05989	19.5
141.05466	1.6
141.65599	0.4
143.04932	1.8
145.06529	0.7
151.03922	100.0
151.05025	10.1
151.07542	53.6
152.04269	1.3
152.07904	0.5
158.07298	0.5
160.08746	0.4
161.05994	0.4
163.07504	0.4
165.05486	6.7
167.07074	1.6
167.90237	0.4
172.08846	0.4
175.07539	1.5
177.09102	0.7
179.07166	0.5
188.08417	0.7
189.09082	0.9
191.10655	0.6
195.06544	1.1
201.09142	1.6
203.07072	1.2
203.10695	1.7
205.08633	1.7
217.08559	0.5
219.10216	1.4
229.08598	0.6
231.08188	0.6
232.06601	0.4
232.09006	0.4
233.09763	0.6
234.10490	0.4
247.07465	0.8
247.09772	1.0
248.08273	0.4
249.09149	0.6
259.07416	0.6
261.09140	1.4
262.09772	0.8
263.10938	0.4
265.12347	0.5
275.10611	0.7
276.11401	0.4
277.08670	1.0
279.10153	0.4
283.09583	0.4
289.08612	1.1
291.10147	1.3
292.11026	1.0
293.11682	1.1
294.12552	0.6
296.10471	0.5
298.12070	1.7
303.10245	0.9
304.11038	1.8
305.08121	0.9
311.12860	1.1
320.10468	2.6
321.11249	1.2
322.11993	0.5
325.14301	2.2
335.12796	12.8
341.13712	2.9
353.13864	12.4
371.14914	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	371.1491
Annotation	LETESTUIANIN B
Peak:m/z	Relative Intensity
55.01851	1.7
57.70012	1.9
69.10003	1.9
69.94093	6.9
79.05501	10.4
81.07060	3.7
91.05483	9.3
94.04192	3.1
95.04974	3.6
98.21435	2.1
103.05492	2.6
104.81605	1.8
105.07069	2.1
107.04960	21.2
109.06534	2.2
115.05469	4.4
116.06178	3.0
120.34449	2.1
122.03637	8.9
124.05222	2.7
124.88350	1.8
128.06178	5.2
129.07008	10.3
131.04941	3.8
131.08583	8.9
135.04424	2.0
137.05983	100.0
141.07013	5.1
141.14552	1.7
144.05724	9.8
145.06487	3.6
149.05998	5.2
150.80904	1.9
151.03938	33.6
151.05070	3.5
151.07536	24.8
153.05518	2.3
156.05685	24.4
157.06459	7.0
158.07285	3.5
159.08064	17.2
161.06003	4.6
163.07651	1.9
165.05486	6.8
165.06793	2.1
167.07033	49.9
171.04462	2.3
172.05188	3.9
173.06010	2.6
174.06763	7.2
175.07561	11.7
175.12813	1.8
177.05478	5.9
177.21860	2.0
178.07747	2.9
179.07036	8.5
184.05206	3.2
186.06821	4.1
187.07556	19.9
189.07040	3.7
189.09142	9.5
190.07774	3.4
191.07062	3.8
191.08601	2.2
193.10103	2.2
195.08202	2.2
196.05292	2.2
198.06769	4.1
202.06261	7.1
203.06987	2.5
203.08611	6.1
205.06824	2.4
205.08594	7.3
206.07356	5.8
207.08034	4.0
211.07584	5.2
215.06857	4.1
215.08662	5.7
217.08585	71.8
218.07231	7.6
219.08026	7.2
219.10178	6.1
221.09572	5.8
223.07448	4.4
224.04718	3.7
225.32072	1.9
226.06218	3.0
229.08574	4.7
231.08083	8.6
232.08795	4.7
233.06110	3.5
233.09619	13.2
234.06789	11.4
235.07562	11.9
239.07037	21.6
241.08665	9.7
242.05772	6.0
246.06801	7.7
247.07469	4.7
247.09702	25.9
248.08209	5.0
249.09198	15.8
250.09995	4.0
251.07077	7.4
252.07903	8.1
253.04996	2.8
256.03781	2.7
257.08026	4.6
260.08319	6.3
261.09103	20.6
262.06198	5.2
262.09970	3.6
262.34097	2.0
263.07059	14.2
263.10651	5.3
264.07785	3.3
265.08578	4.2
266.09286	6.2
267.10172	2.8
269.08176	8.2
271.05997	5.6
275.10614	2.1
276.07874	3.2
277.08676	19.4
278.09460	13.0
279.06683	3.8
279.10037	4.4
280.07346	3.5
280.10349	1.8
281.11700	7.6
285.07578	60.7
289.08569	9.9
290.09262	2.4
291.06674	2.4
291.10175	5.0
292.10898	4.9
293.08340	3.5
293.11627	17.3
294.08676	3.5
295.09744	4.5
300.09937	62.7
300.13361	3.5
301.10681	14.2
304.11307	1.8
306.08878	7.6
307.09506	10.0
309.11163	24.9
311.09109	3.9
311.12582	2.5
313.10611	14.8
316.82028	2.4
321.11218	33.0
322.11768	3.1
323.09161	7.5
326.11487	14.6
335.12857	5.8
338.11447	7.8
339.12143	5.1
341.13864	19.5
353.13849	68.5
371.14902	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	371.1495
Annotation	LETESTUIANIN B
Peak:m/z	Relative Intensity
53.03947	1.0
55.01871	2.2
65.03936	2.3
67.05497	2.3
69.07072	1.0
71.08613	0.7
76.56107	0.5
79.05512	2.5
80.06260	0.8
81.03439	0.6
81.07069	0.8
83.04985	0.7
85.02917	0.7
91.05490	2.3
93.07053	0.9
94.04178	0.7
95.04979	1.9
95.08575	0.6
97.06578	0.6
103.05489	1.1
105.07045	1.6
107.04967	5.6
107.08603	1.2
108.02098	2.2
108.05745	1.7
109.06535	1.1
111.04450	0.9
115.05486	1.2
117.07024	1.6
121.06516	1.6
121.10130	0.6
122.03663	1.8
129.05557	0.7
129.06982	1.0
131.04932	0.9
131.08607	0.9
133.02878	0.8
133.06499	1.2
135.04449	2.0
135.08051	0.5
136.05203	5.2
137.05995	25.8
141.05469	1.7
143.04944	2.8
145.06525	1.6
145.10155	0.6
149.05992	0.8
151.03931	100.0
151.05032	9.3
151.07555	69.0
152.04236	0.9
153.05502	1.8
157.06534	1.2
158.07268	1.4
159.08014	0.8
160.08784	0.7
161.05998	3.0
163.03979	1.1
163.07610	1.0
165.05516	6.4
167.07117	2.7
171.08194	0.8
172.08853	3.2
173.06009	2.6
174.06769	1.4
175.07547	2.8
176.08318	4.0
177.05466	1.0
177.09149	2.5
179.07118	1.2
186.06741	0.6
187.07526	0.9
188.08319	4.3
189.09164	5.1
191.10741	1.2
195.06589	1.2
199.07481	0.7
201.09123	3.8
203.07050	1.7
203.10681	5.3
205.08667	1.8
215.06998	0.7
217.08694	1.5
218.07349	0.7
219.08176	1.2
219.10173	5.9
225.09154	0.6
229.08707	2.0
231.08090	1.5
233.09749	1.6
234.10393	0.6
235.07539	0.8
239.07112	1.1
247.07544	0.8
247.09720	9.6
249.09190	1.1
250.09967	0.6
251.10452	0.6
252.08044	0.5
260.08475	0.7
261.09119	2.6
262.10025	1.9
263.10654	0.6
265.08652	0.6
270.08945	0.6
274.10052	0.6
275.10751	1.2
277.08798	1.4
278.09439	1.3
279.06952	0.5
279.10150	1.7
285.11392	3.9
289.08661	2.1
291.10413	1.4
292.11014	1.5
293.08713	0.5
293.11630	2.7
294.12494	1.2
298.12177	2.0
300.09988	0.6
303.10156	0.8
304.11026	2.7
305.08194	1.9
307.09702	0.9
310.12033	0.7
311.12885	1.0
320.10516	2.2
321.11188	3.5
322.12100	1.2
325.14395	4.7
335.12817	14.2
335.16644	1.1
338.11813	0.6
339.12225	1.3
341.13916	2.3
353.13895	13.3
371.14966	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	371.1493
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
69.07082	0.7
69.51135	1.8
69.51579	1.7
79.05527	0.9
85.02920	0.9
88.64669	0.6
91.05505	1.7
93.07072	0.6
98.20702	1.0
103.05505	0.9
105.07043	2.8
107.05000	1.7
107.08682	0.6
115.05489	1.5
116.73301	0.5
117.07069	0.8
119.04962	1.0
121.06552	1.8
122.03719	0.5
123.04474	0.4
128.06216	0.8
129.06975	1.2
131.04958	1.8
133.06564	1.9
133.10159	0.7
137.05994	7.5
145.06528	0.7
146.07317	0.6
147.04395	0.7
147.08078	0.8
147.11714	1.6
149.06070	0.6
151.03949	1.5
151.07610	1.7
159.08084	1.0
161.05989	2.8
163.07611	0.6
165.05595	0.5
165.07057	1.0
166.06290	1.3
166.07782	0.9
167.07051	7.4
175.07564	1.9
177.09161	0.8
178.07802	2.9
179.08594	1.7
181.06526	2.6
181.08585	3.7
187.07603	2.1
190.07834	1.2
191.08591	1.3
191.14302	4.6
193.06531	1.2
193.08664	1.2
194.07278	2.5
195.08098	1.3
196.08881	0.9
202.07899	1.2
203.08600	0.9
205.06493	1.8
205.10217	0.7
206.07329	2.7
207.08127	3.3
207.10002	1.0
208.08755	1.0
209.06010	1.8
209.09705	1.2
210.06715	0.6
211.07695	0.7
215.08618	1.2
217.08585	0.9
218.07404	1.7
219.08105	2.2
220.08917	1.0
221.05995	3.4
221.09627	1.3
222.06755	4.9
222.10300	0.9
223.07542	2.6
224.08376	3.7
225.09213	0.7
231.08104	1.3
232.08867	1.7
233.05998	1.0
233.09712	1.5
234.06781	4.3
234.10358	1.2
235.07553	5.5
236.08354	3.4
237.05510	2.4
237.09148	3.5
238.06303	0.8
239.07117	1.0
239.10757	0.7
240.07820	1.0
246.06984	0.6
247.07632	1.8
247.21701	0.6
248.08391	2.1
249.05467	1.3
249.09125	13.0
249.11539	0.8
250.06247	3.4
250.09966	3.0
251.07045	3.7
251.10857	0.5
252.07863	11.3
252.10570	0.6
253.08614	1.8
261.09143	1.8
262.09943	0.8
263.07095	3.2
263.10559	0.8
264.07819	4.8
265.02585	0.5
265.05164	1.9
265.08606	16.8
266.09393	11.9
267.06552	0.9
267.10156	1.3
269.08246	0.7
275.10791	0.7
277.08658	5.6
278.05814	0.7
278.09396	2.4
279.06476	1.5
279.10172	1.1
280.07327	12.3
280.10632	1.1
281.08160	7.1
281.11465	1.2
283.09778	0.8
291.06485	0.7
292.07477	0.6
293.08179	2.3
293.11642	12.3
294.08810	1.1
295.09619	4.5
296.07159	0.4
296.10443	9.3
297.07745	0.7
297.11249	0.8
300.10074	0.9
303.10498	0.5
306.08981	0.6
307.09601	0.9
309.11246	3.5
310.11972	0.9
311.09268	0.9
311.12787	8.7
313.10699	1.2
321.11273	6.4
324.10004	2.0
325.10559	1.2
326.11484	0.6
338.11404	0.7
339.12289	100.0
340.12903	5.2
340.16757	0.8
341.13785	1.4
353.13864	1.9
356.12427	0.6
356.16260	0.8
371.14874	54.7
371.18332	3.2
372.15118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89417	1.1
53.03952	2.2
53.91037	1.2
55.01871	2.2
67.05492	1.8
68.52271	1.2
69.03431	5.5
69.07064	2.2
69.30622	8.8
71.04990	1.7
78.04699	3.6
79.05502	12.2
81.03419	2.8
81.07050	4.5
83.04958	3.0
83.08567	1.3
85.02913	6.0
85.06528	2.2
91.05470	9.8
93.07043	3.7
95.04972	9.8
95.08604	5.5
97.02892	2.7
98.20824	2.8
103.05466	3.5
105.07025	13.0
106.04166	2.2
107.04967	18.5
107.08636	7.2
109.02850	2.9
109.06508	3.6
111.04462	1.6
111.08054	1.9
115.05466	3.9
117.07014	2.9
119.04922	2.0
119.08617	5.8
121.06509	2.1
121.10136	3.6
122.03645	2.9
123.04436	8.4
123.08020	1.8
124.05226	3.6
125.05988	1.5
125.09634	3.1
127.03857	2.5
128.06229	5.1
129.07004	10.3
130.06544	1.4
131.04935	6.6
131.08566	7.9
132.05756	3.3
133.06500	5.4
133.10146	6.9
135.04433	1.5
135.08061	4.3
135.11696	1.7
137.05984	22.9
144.05698	4.9
145.06537	1.6
145.10114	4.2
147.04407	5.4
147.08026	3.8
147.11707	7.0
149.05988	3.9
149.09627	5.5
149.13258	5.2
151.03922	4.6
151.07570	2.3
152.04703	3.1
153.05473	1.8
153.09134	2.4
155.04936	2.3
156.05687	4.8
157.06538	2.3
159.08075	10.5
160.05183	1.9
161.06006	11.4
161.09587	1.5
163.07536	2.2
163.11147	2.7
163.14789	3.1
167.07057	100.0
168.07396	1.4
169.06328	1.4
172.05194	3.7
173.13261	11.1
175.07564	21.7
177.05475	4.8
178.07782	3.3
179.06973	2.0
179.08539	1.5
181.05029	2.6
184.05321	1.3
187.07568	30.6
189.07088	2.1
189.09106	3.6
190.07791	2.2
191.07047	7.4
191.08569	1.8
191.14314	37.2
192.07852	2.7
193.10201	1.4
199.07573	7.4
202.07803	3.3
203.05276	2.0
203.08545	5.0
205.06557	2.4
205.10361	1.6
206.07269	6.8
207.08055	2.6
209.08080	1.6
209.15401	39.3
214.82103	1.3
215.08542	3.8
217.06616	2.5
217.08586	13.6
218.07260	4.3
219.08139	5.9
219.10062	2.1
221.09657	6.3
231.08078	3.6
232.08847	1.8
233.05946	1.7
233.09618	5.0
234.06819	5.1
235.07568	4.7
246.06783	2.3
247.07509	2.8
247.09743	4.2
248.08400	3.3
249.09171	11.8
250.09929	1.8
251.07013	2.9
251.10712	1.3
259.07626	1.8
260.08337	2.2
261.09198	7.5
262.09616	1.2
263.06979	3.8
265.08664	2.4
266.09421	3.3
267.09943	1.3
269.08154	1.8
276.07849	1.9
277.08646	9.0
278.09360	5.0
279.06665	2.4
279.09946	2.7
281.08737	1.9
281.11746	11.9
285.07562	3.0
289.08533	6.9
290.09338	2.1
291.10040	2.3
292.07077	1.4
293.08386	1.9
293.11749	4.1
294.08838	2.9
300.09842	3.4
306.08990	2.6
307.09586	3.9
309.11249	15.0
311.08926	2.4
321.11194	14.9
322.12161	2.9
326.11646	6.2
338.11649	1.9
341.13834	20.1
353.13754	15.6
371.11411	2.1
371.16455	18.7
371.20831	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	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01864	3.9
62.49298	3.2
65.92678	2.9
67.05519	6.9
69.03420	12.0
69.07096	4.5
70.06586	6.8
71.04996	5.6
71.11918	6.2
72.08167	4.1
79.05494	20.8
81.03436	10.0
81.07053	11.0
82.68283	3.0
83.04999	7.7
85.02914	14.6
85.06552	14.0
91.05475	24.2
93.07060	12.3
93.58656	3.5
95.04971	23.8
95.08617	6.1
97.02891	5.7
97.06561	5.7
99.04455	7.6
99.08136	3.2
103.05482	5.3
104.52612	3.6
105.07036	24.1
107.04961	29.9
107.08598	17.5
109.02905	18.9
109.06534	6.6
111.04437	12.2
115.05473	4.5
116.06273	3.9
117.07021	8.1
119.04955	8.2
119.08602	14.1
121.06535	8.4
121.10140	8.3
122.03642	4.8
123.04429	7.7
123.08054	5.0
124.05235	5.6
127.03930	11.0
128.06261	10.4
129.07010	20.4
129.07823	3.2
131.04962	8.5
131.08565	25.1
133.06519	6.1
133.10146	26.3
135.08087	9.2
137.05991	97.1
137.09627	3.8
141.06993	5.8
144.05754	8.0
145.06491	5.4
145.10141	11.0
147.04442	17.6
147.08063	5.9
147.11696	20.5
149.06012	7.3
149.09628	20.2
149.13234	8.3
151.07600	5.1
153.09175	6.8
156.05676	23.5
159.08113	18.2
160.05164	5.3
161.05963	10.9
163.11168	6.9
165.09142	4.2
167.07054	100.0
167.10732	8.1
172.05222	8.0
173.09555	3.9
173.13246	20.9
174.06837	5.9
175.07576	23.2
175.14803	3.6
177.05498	6.6
181.04950	6.0
184.05064	5.2
187.07571	38.5
189.09132	16.9
191.04874	3.2
191.06920	6.1
191.08923	3.8
191.10696	15.4
191.14317	54.6
192.07837	4.7
199.07541	7.9
201.09164	3.5
202.06229	7.1
203.05295	3.3
203.08626	13.2
204.61458	3.6
205.10356	4.1
206.07335	6.0
209.11707	10.7
209.15378	67.9
215.08725	6.6
217.06548	7.2
217.08575	58.2
218.07263	10.6
219.08118	8.4
219.10104	7.6
221.09657	11.8
226.06265	4.7
231.08138	9.4
232.08855	4.0
233.09637	12.9
234.06752	12.1
235.07620	10.0
239.06985	14.1
241.08618	13.5
246.06712	4.5
247.07390	5.6
247.09724	20.3
248.08279	4.4
249.09137	20.7
251.07077	9.3
252.07758	6.7
257.08002	4.3
260.08298	4.4
261.09128	22.9
263.07114	8.8
263.10974	3.4
264.07819	5.0
265.08664	5.0
266.09427	5.5
269.08264	4.7
277.08575	17.8
278.09354	13.1
279.06534	4.7
279.10205	5.5
281.11792	11.1
285.07553	39.1
289.08655	14.4
291.10123	6.5
293.08405	5.6
293.11578	16.2
294.08939	7.9
295.09689	6.8
297.49042	3.4
300.09940	42.1
301.10742	13.8
306.08801	9.6
307.09659	8.3
309.11255	27.8
311.09445	4.5
313.10629	6.2
321.11194	31.7
322.11972	6.9
323.09152	7.6
326.11487	19.2
338.11731	9.5
339.12207	6.9
341.13879	27.7
353.13794	69.1
371.10736	6.4
371.16443	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	371.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.7
52.97544	2.8
53.03959	3.0
55.05505	3.6
57.03436	3.9
63.19002	3.1
65.03945	3.2
67.05483	4.6
69.03432	10.1
69.37135	18.0
71.04996	4.2
78.04799	3.1
79.05479	11.4
81.03429	4.9
81.07060	14.1
83.05003	3.5
85.02894	8.1
91.05478	11.1
93.07044	7.4
93.54795	3.1
94.04159	5.3
95.04961	8.7
95.08616	7.4
97.02893	4.6
99.04402	2.8
99.81456	2.9
103.05476	2.9
105.07027	9.2
107.04968	19.6
107.08591	9.2
109.02888	5.2
109.06512	12.2
109.10159	3.7
115.05453	6.9
117.18617	2.7
119.08558	4.2
121.02851	3.1
121.06483	3.7
121.10153	7.8
122.03661	5.0
123.08063	3.8
123.11678	6.0
124.05280	3.4
127.03948	4.5
128.06209	3.2
129.07002	10.2
131.04948	5.7
131.08543	11.5
133.06483	3.6
133.10135	48.3
135.08063	6.8
135.11668	3.1
137.05988	100.0
137.09627	20.1
141.12837	3.2
144.05719	7.8
145.06476	5.3
145.10150	3.4
147.11687	4.2
148.74803	3.2
149.13245	5.7
151.03920	7.7
151.07562	11.4
151.11188	8.5
153.05502	7.1
154.64516	3.2
156.05693	17.1
157.06511	7.4
159.08037	13.0
160.05161	4.7
161.05940	7.1
163.11215	3.9
165.05490	11.8
167.07068	54.6
172.05235	3.9
173.05995	3.4
173.13339	7.6
174.06754	6.5
175.07541	10.9
177.05539	4.6
177.09154	2.8
181.04927	7.7
181.06462	4.2
187.07597	26.1
189.05386	2.8
189.07077	4.1
189.09128	9.7
191.06992	3.3
191.14325	35.8
196.05116	3.0
202.06235	8.1
202.07878	3.9
203.06830	3.2
203.08591	7.0
205.08606	7.2
205.10309	4.7
206.07269	6.1
207.06551	3.2
207.08260	5.4
209.15421	17.7
211.07619	4.8
217.06583	4.8
217.08620	69.4
218.07242	12.2
219.08171	6.7
219.10144	3.2
221.09682	6.7
226.06241	3.0
231.08028	8.3
232.08850	4.6
233.05827	2.7
233.09618	11.5
234.06795	12.0
235.07588	12.9
238.09824	3.9
239.07091	19.0
241.08604	12.7
242.05716	5.5
245.06021	2.9
246.06813	4.1
247.07458	5.2
247.09669	24.7
248.08298	3.6
249.09007	21.6
251.07104	3.9
252.07794	8.4
257.08044	5.4
260.08395	4.3
261.09146	22.7
262.09909	3.7
263.07004	9.0
264.07608	3.9
265.08722	2.8
266.09506	5.1
269.08038	4.4
271.05930	4.8
276.07886	3.0
277.08640	16.3
278.09442	10.2
279.06729	4.1
279.10132	3.9
281.11685	6.6
285.07666	45.0
286.07895	2.8
289.08633	11.4
291.10260	4.2
292.11081	3.9
293.08521	4.9
293.11713	15.3
300.09979	56.0
301.10727	9.6
306.09015	6.3
307.09677	7.9
309.11136	20.4
311.09274	5.1
311.12878	3.3
313.10733	9.2
321.11218	29.9
322.11966	4.3
323.09235	6.8
326.11493	16.4
335.92377	3.1
338.11450	4.9
339.12198	9.1
341.13791	20.5
353.13889	54.1
371.14310	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.4
55.01875	1.2
55.05505	2.8
57.03433	2.1
57.07078	2.7
67.05499	3.0
69.03436	16.2
69.07067	4.5
70.06590	0.9
70.10345	1.0
71.01321	1.1
71.04977	2.7
71.41278	1.8
73.02918	1.0
73.72606	1.0
79.05487	4.1
81.03420	3.6
81.07054	4.8
83.04980	7.8
83.08624	2.2
85.02916	10.5
85.06552	4.1
91.05485	2.7
93.07052	5.0
95.05018	1.9
95.08611	8.1
97.02892	3.5
97.06518	2.1
99.04438	1.5
99.08074	1.6
100.07634	1.0
100.11275	1.8
105.07036	5.7
107.08595	14.8
109.02897	1.5
109.06534	6.7
109.10168	2.5
111.04462	1.6
111.08089	8.4
113.79227	1.0
119.08587	6.1
121.06509	1.8
121.10155	14.3
123.08078	4.6
123.11703	2.5
125.09637	22.4
127.03915	4.7
129.07024	1.1
131.08557	9.2
131.09222	0.8
133.10167	7.6
135.08051	19.9
135.11728	6.5
137.05966	2.3
137.09625	1.9
143.08549	1.3
145.10141	3.6
147.11694	3.8
149.09627	11.3
149.13251	3.6
150.10362	1.8
151.11194	3.3
153.09129	6.8
158.10883	3.3
161.13301	3.6
163.10007	1.1
163.11159	5.6
163.14853	5.6
165.12784	1.4
167.10710	2.2
173.13274	25.4
176.12025	3.1
179.14374	2.0
182.15395	3.7
187.07582	1.2
187.15050	1.0
191.14311	97.8
192.14755	1.7
193.12675	1.0
203.05327	2.3
209.15366	100.0
210.11317	1.5
210.14926	1.6
219.10155	1.1
321.11346	1.7
336.22888	1.2
353.14044	1.5
353.19583	6.1
354.23914	1.8
356.44788	1.0
371.16364	2.8
371.20651	25.2
371.26144	2.1
372.16635	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	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94233	0.8
53.03942	1.5
55.01864	1.0
55.05511	2.9
57.03428	2.3
61.02946	1.6
65.03926	1.2
67.05500	3.1
67.58678	1.0
69.03445	6.1
69.07065	1.2
69.27455	1.0
70.06590	3.2
71.05000	5.0
71.51521	1.2
72.08147	2.4
73.04760	2.5
79.05498	4.2
81.03409	3.9
81.07072	3.1
83.04990	3.0
84.08167	1.1
85.02917	11.9
85.06527	1.5
91.05483	4.8
93.07051	5.9
95.04977	100.0
95.08617	1.5
95.63046	1.0
97.02897	3.8
97.60919	0.9
98.97601	1.4
99.04459	21.5
103.05457	1.0
105.07048	3.3
107.04943	3.3
107.08606	4.4
109.02883	3.2
109.06520	1.8
109.10155	2.3
109.99362	0.9
111.04455	2.3
111.08070	1.3
116.98629	1.1
119.04935	4.7
119.08601	2.3
121.06505	2.6
121.10158	15.6
123.04437	1.5
123.08092	1.1
127.03913	3.9
129.05516	2.6
129.07057	1.4
133.06519	1.9
133.10144	4.7
135.08076	2.4
136.07523	1.0
137.06001	14.6
145.04958	1.8
147.04459	4.7
147.11665	1.0
149.13300	1.4
150.05513	1.3
150.09125	1.7
151.03911	1.3
151.07533	2.1
153.05519	1.0
153.09122	31.2
156.05698	2.3
163.03915	3.9
163.07527	1.5
163.09888	1.2
163.14854	2.9
164.07094	2.4
165.05580	1.7
165.07849	3.8
167.07016	7.5
173.13272	3.8
179.03401	1.0
180.10197	5.4
191.07033	2.3
191.14320	5.4
193.04977	10.5
202.06384	1.6
207.08273	1.0
208.09740	14.0
209.04343	1.1
209.15390	36.4
210.11255	1.1
217.08533	5.5
237.09526	1.3
241.08542	1.2
249.09242	1.9
250.09795	1.2
251.10829	1.1
261.09161	1.3
263.07031	1.1
265.08688	1.0
268.97882	1.5
277.08655	3.1
278.09448	1.1
279.10196	2.2
285.01031	3.5
291.10242	3.6
293.08289	1.2
293.11664	2.1
295.09641	3.6
296.10623	1.4
297.11008	1.0
308.10718	1.3
309.11261	1.1
310.11963	3.9
311.12750	5.2
321.11203	2.3
321.77429	1.0
323.12747	5.7
325.14557	3.3
335.12662	1.8
353.13892	7.6
355.06921	3.7
371.16351	7.2
371.20300	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48354	1.0
53.03946	2.1
55.05499	2.4
57.03427	1.7
61.02914	2.8
65.11178	0.9
67.05489	3.5
68.80715	0.8
69.03432	6.1
69.07055	2.7
71.04973	3.5
71.52124	1.3
71.62926	0.9
79.05479	2.7
79.72092	1.0
81.03398	3.6
81.07051	4.0
83.04980	2.4
85.02913	15.3
85.06546	1.4
91.05501	5.0
93.07059	7.5
95.04967	5.0
95.08612	48.4
97.02900	5.1
97.06534	8.7
99.04425	2.0
99.08105	1.8
105.07032	11.6
107.04977	2.1
107.08606	8.7
107.76952	1.0
109.02907	2.0
109.06512	2.3
109.10167	4.7
115.05426	1.3
115.07566	1.6
117.07007	1.5
117.44875	0.9
118.07765	1.0
119.08599	5.1
121.06500	2.7
121.10161	9.0
122.80048	1.2
123.08045	2.0
123.11701	2.9
125.09587	2.1
127.03888	2.8
129.07008	1.5
130.44432	1.2
131.04910	1.9
131.08580	8.7
133.10138	100.0
135.04361	1.3
135.08029	4.3
135.11681	2.6
137.05963	3.2
139.11247	1.6
143.08568	1.8
145.04945	4.1
145.10114	3.7
147.02008	0.9
147.04419	1.3
147.11665	6.2
149.09625	3.9
149.13257	4.9
151.07545	2.0
151.11194	13.2
158.10919	4.1
159.08023	1.2
161.06038	1.5
163.11209	1.4
163.14853	6.2
164.43616	0.9
167.07066	6.2
173.13269	32.7
177.05466	1.1
187.07495	2.9
191.07060	1.2
191.14320	45.2
192.14542	0.9
193.08714	1.8
209.15385	9.6
217.08644	1.5
281.11691	1.8
327.14206	2.2
341.13788	1.7
353.13693	1.9
371.12589	8.7
371.17224	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.05499	0.8
55.81861	0.4
57.03424	0.6
61.02912	0.4
67.05498	0.8
69.03415	1.4
70.06567	0.3
71.09805	0.5
71.10143	0.3
72.08175	0.4
73.02918	0.4
79.05078	0.4
79.05491	5.4
81.03401	0.7
81.07068	1.8
83.04965	0.4
83.08633	0.4
85.02919	1.6
91.05458	2.5
93.07050	5.3
95.04969	1.2
95.08624	0.9
97.02882	0.7
98.97577	0.3
103.05481	0.9
105.07040	10.4
106.07815	0.5
107.04956	3.8
107.08515	0.4
109.02901	0.5
109.06532	3.9
109.10169	0.4
111.04414	0.8
117.03375	0.6
119.04925	0.7
119.08564	2.1
120.05741	0.4
121.06534	3.2
121.10150	15.1
122.90912	0.3
123.08070	1.6
123.11691	1.0
127.03885	0.7
128.55988	0.4
131.08537	0.9
133.06537	0.5
133.07605	1.5
133.08577	0.4
133.10023	0.5
135.04408	0.9
135.08083	0.5
137.06012	2.0
145.02870	1.1
147.04413	0.8
149.09624	100.0
150.09961	1.0
151.07553	0.5
151.11166	2.4
157.05078	0.4
161.30611	0.3
163.03906	4.0
163.07533	1.7
166.74686	0.4
167.07076	1.1
167.10667	0.6
177.05496	0.6
179.03450	0.7
180.03760	0.6
191.07014	2.5
191.14313	40.9
192.04759	0.4
192.14566	0.5
197.01315	0.4
203.05215	0.9
209.08138	1.5
209.15414	1.5
217.08551	0.4
219.10255	0.4
247.09782	0.5
249.09184	0.5
251.06976	0.4
277.08524	0.6
278.09592	0.4
281.00754	0.3
321.11166	0.5
330.65201	0.4
353.13977	1.2
371.16400	1.7
371.20871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01880	2.8
55.05503	1.8
57.03442	1.4
57.07083	1.5
66.11653	1.0
67.05510	2.9
69.03443	8.3
69.07082	3.6
69.30124	3.3
69.30546	4.0
70.06595	0.9
70.86581	0.8
79.05506	4.6
81.03414	2.5
81.07062	3.8
83.04989	4.1
83.08656	1.6
84.68856	0.9
85.02917	8.0
85.06548	2.7
91.05486	5.1
93.07057	7.3
95.04958	5.0
95.08611	8.3
97.02928	2.6
97.06532	1.6
99.04462	1.6
99.08084	1.0
105.07033	5.4
107.04996	4.5
107.08604	14.5
109.02848	1.0
109.06532	6.2
109.10182	1.7
111.04397	1.3
111.08097	3.2
117.07032	1.9
119.04948	1.6
119.08607	6.4
121.06525	3.1
121.10150	6.3
123.04421	2.3
123.08076	3.5
123.11686	1.1
125.09645	9.8
127.03937	3.3
129.07022	1.7
131.04942	1.6
131.08582	7.0
133.10156	9.6
135.08057	10.6
135.11713	2.9
137.05995	5.1
137.09641	2.0
145.10144	4.1
147.04373	1.7
147.08095	1.6
147.11697	16.6
149.09605	10.1
149.13283	6.5
150.10437	1.7
151.03928	1.8
151.07564	1.4
153.05542	1.2
153.09125	4.2
156.05812	0.9
158.10847	2.1
159.08025	2.6
161.05984	2.9
161.09619	1.2
163.11186	5.1
163.14856	2.0
167.07062	20.7
173.13277	15.7
175.07558	5.2
176.11978	2.8
187.07530	6.3
191.07030	1.8
191.14320	88.8
192.14673	1.4
199.07629	1.4
203.08577	1.1
209.15378	100.0
210.15683	1.2
215.65309	0.9
217.05016	0.9
217.08543	3.5
219.08035	1.2
219.10190	1.3
221.09666	1.4
233.09731	2.1
235.07495	0.9
249.09245	2.7
250.94690	1.0
251.07143	1.3
261.09222	1.2
263.07181	1.3
271.06070	1.1
277.08496	1.5
281.11765	3.3
285.07608	1.2
286.49585	1.0
289.08539	1.3
296.07272	1.2
309.11221	3.7
321.11191	2.2
326.11676	1.8
339.12393	1.2
341.13791	4.3
353.13916	2.8
371.16663	23.7
371.20813	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	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
55.05499	1.8
65.71790	1.0
67.05502	2.0
69.03420	3.3
69.07063	2.0
69.67287	5.7
74.77702	1.2
79.05500	5.3
81.07045	5.4
85.02895	4.7
88.36166	1.2
91.05479	4.5
93.07059	2.6
95.08607	1.4
97.02852	1.2
97.06612	1.2
98.21519	1.5
105.01879	1.0
105.07002	7.3
107.04922	1.9
107.08611	13.8
109.06512	4.5
109.10141	3.7
115.05493	1.8
117.07013	2.4
119.08572	3.1
121.10159	9.3
122.07287	3.5
129.07031	2.8
130.57921	1.0
131.08560	4.2
133.10133	100.0
135.08022	8.4
137.05974	3.8
137.09621	47.8
145.10152	1.7
147.11662	2.9
149.09669	1.6
149.13272	9.6
157.06502	2.3
158.10977	1.5
163.14827	1.4
167.07011	6.8
173.13245	11.4
181.04953	2.7
187.07607	1.4
189.09123	1.4
191.14311	35.3
192.79138	1.4
209.15343	11.2
212.46613	1.1
217.08430	1.5
300.09940	1.4
309.44339	1.1
353.13773	2.1
371.14883	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	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
61.02914	1.4
61.88533	0.8
62.25690	0.9
64.28236	0.9
65.03935	1.3
67.05509	1.3
68.71896	0.9
69.03437	2.7
70.85423	2.0
70.85780	1.5
71.04993	3.7
71.79134	1.0
81.03408	1.4
85.02909	8.1
85.06538	1.8
93.07089	1.2
95.04974	100.0
96.05343	1.2
97.02895	3.6
99.03853	1.7
99.04467	22.1
102.52474	1.1
109.02839	1.0
109.10177	2.1
127.03963	1.6
131.08618	1.1
133.10170	4.8
135.08055	2.0
145.05006	1.2
153.09120	33.1
167.07132	1.1
173.13297	5.0
191.14291	5.4
209.15387	35.6
209.17390	1.8
254.71994	0.9
261.09317	0.9
269.91577	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
55.05486	1.7
61.02914	1.7
67.05505	3.7
69.03449	3.1
69.07044	1.6
70.64130	3.6
71.04971	1.5
79.05494	1.7
81.07050	3.2
83.04944	3.0
83.08629	1.7
85.02909	12.2
85.06542	1.7
86.24627	1.6
91.05478	4.2
93.07043	7.3
95.04978	1.6
95.08613	44.5
97.02885	4.1
97.06539	10.4
99.04442	1.6
100.20560	1.2
105.07033	6.4
107.08614	7.4
109.10155	3.2
119.08576	4.2
121.10152	7.8
121.74117	1.3
123.11716	4.0
127.03935	2.8
131.08549	5.6
133.10135	100.0
135.08028	3.3
135.11688	1.7
145.04942	3.0
145.10086	3.1
147.11652	3.7
149.09622	5.3
149.13234	4.4
151.11179	11.1
158.10936	5.6
159.32530	1.2
163.14818	5.4
165.61823	1.3
173.13275	29.9
184.98888	1.3
191.14305	42.5
209.15361	7.3
371.16504	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	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
53.63250	1.0
55.01858	1.4
55.05505	1.9
57.03429	1.8
60.57108	0.9
61.02926	1.5
62.11806	1.0
65.03943	1.7
67.05499	3.4
69.03430	8.8
69.07066	1.8
69.42989	6.8
69.43394	2.3
71.04986	1.1
79.05485	3.8
81.03407	4.5
81.07059	7.4
83.04970	2.7
85.02459	1.0
85.02918	16.0
85.06520	2.0
85.20288	1.1
91.05499	7.0
93.07043	5.9
95.04952	4.3
95.08607	3.8
97.02895	4.6
97.06548	5.4
99.04475	2.4
103.05402	1.1
105.07040	11.3
107.04951	2.9
107.08601	12.1
109.02832	2.9
109.06535	5.4
109.10136	4.9
111.04416	1.5
117.07024	2.5
119.04932	2.1
119.08569	7.2
121.06527	1.5
121.10149	10.1
122.07278	1.9
123.04440	1.3
123.08049	2.4
123.11704	1.7
127.03911	4.6
129.07021	5.8
131.04933	1.7
131.08597	10.0
133.10147	100.0
135.04427	1.1
135.08073	6.2
135.11656	2.5
137.05994	5.3
137.09627	21.1
143.08586	2.3
144.22437	1.1
145.04980	2.6
145.10123	5.5
147.11765	5.3
149.05974	1.3
149.09631	4.7
149.13271	7.0
151.07513	3.8
151.11221	5.3
157.06491	4.6
158.10938	3.9
159.07941	1.1
161.05919	1.7
163.11238	1.3
163.14819	2.7
165.12770	17.0
167.07101	11.9
173.13278	33.5
174.06743	2.4
175.03883	1.3
175.07603	1.8
175.14854	2.8
177.05542	1.6
181.04959	5.1
187.07532	2.8
189.09143	6.3
191.14330	40.2
192.07678	1.3
193.15926	2.1
203.05234	1.7
207.06555	1.7
209.07042	1.8
209.15384	49.6
217.08644	2.6
245.24231	1.2
249.09241	1.5
261.09033	2.1
277.08429	1.8
285.07367	2.0
300.09882	1.5
309.11218	1.6
321.11154	1.7
322.85562	1.2
339.12421	2.1
341.13892	1.4
353.13785	4.6
371.14838	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74811	1.9
67.05515	2.8
68.61555	1.7
69.03442	4.0
70.53665	5.5
72.67102	1.9
78.62754	1.9
79.05478	2.1
81.07046	4.4
81.72797	1.8
85.02950	2.1
88.17216	1.8
90.37635	1.9
91.05500	4.8
105.07047	2.5
105.43742	1.9
107.07964	2.0
107.08571	9.7
109.06508	5.0
109.10152	3.4
121.10144	8.4
122.07346	2.3
131.08534	2.5
133.10138	100.0
133.27034	1.7
135.08049	10.0
137.05981	7.4
137.09627	48.5
149.13269	12.0
153.41208	1.9
163.14862	3.5
167.07065	5.2
173.13344	4.2
187.07513	2.1
191.14328	40.0
209.15425	5.8
217.08644	4.8
258.01364	2.1
282.85315	2.1
285.07568	3.1
300.09958	3.7
309.11133	2.7
326.11554	2.5
341.13950	3.2
353.14285	4.1
371.14783	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75143	0.6
55.05484	1.7
65.08047	0.6
67.05483	1.0
69.03398	1.2
70.06586	1.6
71.02308	1.4
71.02673	0.7
71.04977	0.7
72.04500	1.9
72.08131	1.0
79.05475	2.5
81.03412	0.7
81.07000	0.6
83.08595	0.7
84.08117	1.2
85.02884	2.2
86.09729	0.7
87.21557	0.6
89.03900	1.0
91.05451	2.8
91.05982	0.6
93.07033	1.9
95.04946	1.3
95.08633	0.8
96.04498	1.0
96.05280	0.8
97.02932	0.8
100.07603	1.4
100.11242	2.5
101.07930	0.8
101.11597	1.4
103.05486	0.6
105.07009	2.7
107.04945	2.3
107.08559	0.9
111.04413	1.1
117.03365	1.7
119.04904	0.9
119.08585	1.1
120.08089	2.0
121.06503	1.3
121.10160	1.5
122.10427	0.7
124.07597	1.2
128.07094	0.8
134.09673	1.0
135.04437	3.1
135.07936	0.7
137.05997	3.8
138.06271	2.1
138.09135	0.9
140.07080	6.3
141.27237	0.7
145.02821	2.0
146.09631	2.0
147.04370	1.4
148.07541	0.8
149.09615	7.6
150.10031	7.7
151.07626	0.6
153.09009	0.8
162.09155	1.1
162.65906	0.6
163.03909	20.9
163.07549	1.2
164.06984	1.2
164.10732	19.0
166.08597	1.0
167.07025	1.2
168.07401	1.9
174.09137	0.6
180.10030	0.6
182.15402	1.5
183.15732	2.2
184.76901	0.7
191.07047	1.2
191.14317	1.8
192.04781	0.8
192.07455	1.0
192.10191	13.1
192.14685	3.2
204.05653	0.9
208.09731	1.9
210.05887	1.7
210.11267	100.0
211.11568	0.7
211.15262	3.9
217.08649	1.3
218.09013	1.8
228.17894	1.3
236.09230	1.2
240.12549	0.8
245.20667	1.0
248.10025	0.7
262.09573	0.9
264.07376	0.8
278.09116	1.0
279.09698	0.7
286.08011	0.9
301.10483	1.4
310.11407	0.9
322.11639	1.3
338.21652	1.3
340.13928	50.7
341.14236	0.9
342.14505	0.9
354.14621	4.0
354.18903	0.7
355.24274	4.1
372.16586	99.1
373.12646	0.9
373.16830	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	9.5
57.03437	5.5
61.02923	10.0
69.03437	21.5
69.44675	30.6
73.02900	8.1
85.02896	44.6
87.53478	4.5
91.03977	5.1
91.05485	6.7
97.02888	24.3
98.97588	37.0
99.04461	4.7
103.66837	4.2
109.02869	6.5
110.97576	6.9
116.98608	7.7
127.03913	8.1
137.05991	51.2
145.04988	8.2
158.99675	13.1
164.07117	6.1
180.05417	5.0
187.04439	6.6
205.55084	4.3
211.02789	8.9
219.01723	7.7
229.03909	5.6
237.02849	6.1
253.03754	9.0
258.52106	4.7
268.06876	5.3
283.07248	15.0
284.92099	4.4
303.03906	6.6
327.03830	9.1
373.08722	100.0
373.12762	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1285
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
50.94338	0.5
53.03947	0.8
54.46011	0.5
55.01874	3.3
65.03940	3.2
67.05497	1.7
68.99793	1.0
71.18007	1.5
80.08495	0.6
81.03408	0.6
89.03894	1.1
91.05499	1.6
93.03416	6.9
94.04194	2.3
95.04989	1.0
103.05479	1.5
107.04956	1.5
108.02107	1.3
109.10108	0.7
110.03645	1.3
111.04464	3.0
115.05517	1.3
117.03397	4.8
119.04952	2.4
119.08576	0.6
121.06511	1.7
122.03651	6.3
125.05997	5.3
127.03921	0.7
131.04915	3.9
133.06454	0.8
133.43352	0.5
135.04453	1.0
137.05989	100.0
138.06294	1.1
141.05508	1.2
141.36833	0.5
143.04945	0.7
145.02863	12.9
145.06508	0.8
146.07291	1.2
147.04466	1.7
149.05974	3.1
151.03925	75.4
151.05034	7.3
151.07509	5.2
153.05505	7.5
159.04411	1.0
160.05264	0.7
161.05988	2.8
163.07591	3.3
165.05481	0.9
167.07095	1.4
173.06056	1.0
175.07570	3.4
177.05499	19.4
177.09087	3.0
179.07066	2.2
187.07515	0.7
189.05476	0.8
191.06989	3.3
191.10739	0.8
193.05005	1.3
193.08629	0.8
201.05429	4.3
201.09041	0.8
203.07056	1.1
205.08507	0.7
211.17128	0.7
219.06528	10.3
221.08125	2.8
237.09105	0.7
237.11302	2.1
247.07481	0.6
265.08554	1.5
277.08551	0.7
293.08014	0.8
295.13419	0.9
297.11307	1.5
305.08670	0.7
305.11719	4.2
323.12708	1.0
325.10828	1.6
327.12140	1.1
337.14417	1.6
343.11703	7.5
355.11646	1.4
355.15543	1.9
373.12854	60.0
374.13058	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24359	1.2
53.03949	4.5
55.01874	3.7
57.03437	2.5
57.21591	1.4
63.14832	1.3
65.03938	1.9
67.05511	13.1
67.28094	1.5
69.03157	1.1
69.03441	14.7
69.62138	7.5
71.01353	5.0
71.04980	2.0
73.02917	1.8
78.04732	1.4
79.05503	15.4
81.03430	16.8
81.07060	8.8
85.02916	15.0
91.05476	39.3
93.07072	14.6
95.04985	9.1
97.02900	13.2
99.04465	5.0
101.78192	1.5
103.04890	1.8
103.05486	19.3
105.03395	1.5
105.07034	8.8
106.16636	1.3
107.04967	86.9
109.02884	10.9
109.06521	7.6
109.57919	1.3
115.05453	6.2
115.49852	1.6
117.07003	2.9
119.04951	35.3
120.05693	4.2
121.06523	25.2
123.03053	1.6
123.04436	9.9
127.03894	10.8
131.04893	7.0
133.04996	1.5
133.06480	2.5
135.04457	1.6
135.08069	24.3
137.05997	29.8
139.07561	3.4
141.05481	2.7
145.04959	4.5
145.07596	3.1
147.04427	31.0
149.06004	16.6
153.05525	1.4
154.06187	1.8
156.76651	1.7
161.05952	1.7
163.03941	2.8
163.07564	100.0
165.05493	30.3
167.07057	69.9
175.03915	6.2
177.05429	1.7
181.08607	2.7
183.06555	8.1
187.16512	1.5
193.03293	2.7
193.04988	38.7
193.08698	2.6
195.10190	55.6
211.06041	85.5
229.07083	7.5
233.79819	1.7
329.11862	3.0
337.09070	7.0
355.10400	8.0
373.10999	17.0
381.27551	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1648
Annotation	Arctigenin
Peak:m/z	Relative Intensity
52.63045	0.4
63.46350	0.4
66.04728	0.6
67.10378	0.3
68.54665	0.4
70.67191	1.3
79.05482	0.6
81.07043	0.5
91.05484	1.1
94.04190	2.9
107.04952	1.3
108.05740	0.4
114.89632	0.4
117.06988	0.4
121.06503	3.3
122.03659	7.5
124.81065	0.3
129.06992	0.3
131.04947	1.0
136.05180	0.7
137.05986	100.0
138.06334	1.1
145.06503	0.9
146.07285	3.1
147.08012	0.6
149.05997	4.1
151.06319	0.4
151.07549	8.3
159.08066	0.4
161.06047	0.4
162.06822	0.5
165.05466	1.5
172.08858	0.5
173.05917	0.4
175.07578	0.4
177.05492	2.3
177.09114	7.3
179.07007	0.5
189.09258	0.5
191.10690	0.7
201.09129	1.6
205.08537	0.5
219.10187	1.1
233.05797	0.4
237.11244	3.1
245.09714	0.7
246.10364	0.5
247.07562	0.8
261.09415	0.4
263.10593	0.7
274.09869	1.2
277.12289	0.7
290.09476	1.1
291.10220	1.1
295.13199	2.0
305.11740	8.6
306.12329	1.0
322.12073	0.6
323.12881	2.4
337.14359	3.7
355.15396	2.3
373.16666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1645
Annotation	Aristelegin C
Peak:m/z	Relative Intensity
69.52859	12.7
87.64917	1.9
91.05476	3.7
94.04193	1.8
103.05468	4.6
107.04958	5.4
108.05700	4.8
109.06545	1.7
120.21753	1.8
121.06499	2.4
122.03658	6.9
131.04947	14.5
132.24614	1.7
135.04390	2.3
137.05977	67.9
149.05923	2.3
151.03928	2.4
151.07550	100.0
157.06505	4.4
158.07315	3.5
163.07545	6.8
165.09042	2.0
172.08826	3.4
174.06764	3.6
175.07597	5.9
177.09094	4.2
179.07008	3.7
185.56619	1.9
188.08363	5.4
189.09167	4.1
191.07190	2.0
201.09135	16.3
203.08801	1.7
203.10684	6.3
231.08109	3.5
231.10184	8.4
241.08583	5.5
245.09691	2.5
246.10457	3.1
247.07556	2.1
254.09471	2.9
261.09094	2.2
262.09860	4.2
269.08151	4.4
270.08865	2.7
274.09927	5.1
275.10706	1.9
277.12241	3.4
284.10410	9.1
285.11221	7.3
290.09509	2.4
291.10120	6.0
291.13132	2.3
294.12585	2.8
297.11441	2.8
305.11646	13.9
306.12534	4.3
312.45236	1.9
322.11691	2.2
325.14441	7.2
337.14252	22.0
355.15445	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	373.1645
Annotation	Arctigenin
Peak:m/z	Relative Intensity
51.02395	0.2
53.03947	0.2
54.16267	0.2
63.29741	0.3
65.03941	0.3
66.04710	0.5
67.37566	0.2
69.29101	2.0
69.29488	0.4
79.05496	0.7
84.49061	0.2
91.05506	1.2
94.04188	3.5
103.05465	0.4
107.04964	1.5
107.30505	0.2
108.05751	0.3
109.06504	0.5
115.05472	0.3
117.07021	0.5
121.06524	2.9
122.03654	8.7
129.06978	0.4
131.04903	0.8
135.04388	0.5
136.05269	0.6
137.05978	100.0
138.06400	0.5
145.06468	1.1
146.07278	2.9
147.04396	0.4
147.08051	0.7
149.05978	3.8
149.51132	0.2
151.07544	8.9
159.08070	0.5
161.05936	0.3
162.06783	0.8
165.05476	1.4
165.09132	0.4
174.06822	0.3
176.08241	0.4
177.05563	1.6
177.09109	7.7
179.07039	0.6
187.07576	0.4
188.08315	0.4
189.09157	0.8
191.10669	0.8
199.07602	0.2
201.09169	0.7
203.08606	0.3
203.10674	0.2
205.08592	0.5
217.08607	0.6
219.10162	0.9
231.08037	0.7
235.11369	0.3
237.11220	3.4
245.09563	0.9
246.10547	0.4
249.11473	0.3
259.07498	0.3
261.09244	0.3
262.10010	0.6
263.10699	0.7
273.09094	0.6
274.09924	1.0
275.10672	0.3
277.12277	0.9
290.09448	0.7
291.09998	0.5
295.13333	2.4
305.11722	9.0
306.12537	0.8
322.12140	0.3
323.12735	2.1
337.14346	3.9
355.15421	2.3
373.16550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1644
Annotation	Arctigenin
Peak:m/z	Relative Intensity
50.01598	0.1
51.02376	0.2
53.03942	0.1
55.01850	0.1
58.84967	0.1
60.14956	0.1
65.03941	0.3
66.04720	0.4
69.61745	0.5
77.03922	0.2
79.05501	0.6
81.07054	0.3
91.05479	1.5
93.56728	0.1
94.04182	3.2
94.04786	0.2
95.04950	0.2
96.38078	0.1
103.05457	0.3
105.03407	0.1
107.04958	0.9
108.05743	0.3
109.06506	0.3
115.05465	0.3
117.07028	0.7
119.04945	0.4
121.06506	3.1
122.03645	8.3
128.06232	0.2
129.07024	0.3
131.04955	0.7
133.06485	0.2
134.03699	0.1
135.04399	0.4
136.05223	0.7
137.05975	100.0
138.06331	0.3
139.07574	0.1
145.06465	0.8
146.03610	0.1
146.07257	2.4
147.04425	0.3
147.08034	0.8
149.05977	3.6
149.09656	0.1
150.06725	0.1
151.07541	9.0
157.06470	0.3
158.07281	0.2
159.08089	0.5
159.20699	0.1
160.05237	0.1
160.08823	0.4
161.06001	0.5
162.06784	0.7
163.07547	0.3
165.05469	1.7
165.06734	0.2
165.09084	0.2
172.08865	0.2
173.06053	0.1
174.06778	0.3
175.07552	0.4
176.08295	0.2
177.05516	1.9
177.09097	7.4
179.07016	0.8
179.08203	0.1
180.88330	0.1
187.07578	0.5
188.08261	0.2
189.09103	0.8
191.07002	0.2
191.09035	0.2
191.10602	0.7
193.08751	0.1
199.07584	0.1
201.09142	1.3
202.07883	0.3
203.08781	0.2
203.10675	0.4
204.09390	0.2
205.08510	0.6
215.08636	0.2
217.08582	0.5
219.08035	0.3
219.10175	1.0
220.08839	0.1
231.08121	0.6
231.10144	0.2
233.09599	0.2
235.11243	0.4
237.08992	0.1
237.11217	3.6
245.09575	0.7
246.10330	0.5
247.07539	0.3
248.08292	0.2
249.09044	0.1
249.11288	0.4
259.07590	0.2
260.08450	0.1
261.09067	0.5
262.09818	0.7
263.10690	0.7
264.11453	0.2
271.91074	0.1
273.09033	0.6
274.09882	1.0
275.07144	0.2
275.10678	0.5
277.12244	0.8
279.10104	0.1
284.10275	0.2
290.09390	0.7
291.10168	0.7
295.13245	2.4
304.10828	0.2
305.11719	9.5
306.12491	0.7
307.09796	0.2
319.13492	0.1
322.11871	0.5
323.12781	1.9
335.12527	0.1
337.14349	3.9
355.15390	2.6
357.82037	0.1
373.16428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1649
Annotation	Arctigenin
Peak:m/z	Relative Intensity
65.03945	0.2
65.28864	0.2
66.04721	0.5
71.25063	0.5
79.05500	0.7
81.07067	0.5
91.05496	2.0
94.04190	2.2
103.05506	0.7
107.04961	1.1
108.05791	0.4
115.05511	0.4
117.07015	0.7
119.04985	0.3
121.06528	2.9
122.03660	6.7
131.04951	1.5
133.06534	0.4
135.04445	0.3
136.05280	0.7
137.05994	100.0
138.06317	2.4
139.06505	0.9
145.06520	1.2
146.07266	2.4
147.04414	0.3
147.08049	0.9
149.06007	3.2
151.03954	0.6
151.07561	14.9
152.07858	0.2
157.06577	0.6
159.08102	0.4
160.08867	0.4
161.06030	0.5
162.06801	0.7
163.07530	1.1
165.05528	2.2
166.05882	0.4
175.07501	0.4
177.05513	1.9
177.07657	0.5
177.09123	7.1
178.57570	0.3
179.07025	0.7
189.09146	1.0
191.07051	0.5
191.10703	0.8
201.09114	1.1
203.10757	0.5
205.08649	0.5
217.08678	0.6
219.08260	0.3
219.10231	1.1
231.08078	0.4
231.10309	0.3
235.11359	0.5
237.11234	3.4
245.09731	1.0
246.10545	0.7
247.07600	0.3
248.12299	0.2
261.09192	0.4
262.09961	0.8
263.10651	0.5
264.11618	0.3
273.09207	0.9
274.09897	0.7
275.10748	0.6
277.12347	0.9
290.09393	0.7
291.10214	0.9
293.11819	0.3
295.13284	1.9
305.08237	0.6
305.11731	8.8
306.12381	0.7
306.81143	0.3
322.12030	0.5
323.12668	2.0
337.14413	3.7
343.14600	0.4
355.15448	3.9
373.15884	2.4
385.23120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1646
Annotation	Aristelegin C
Peak:m/z	Relative Intensity
53.71627	0.4
54.46674	0.4
54.80983	0.4
58.91891	0.4
60.17688	0.3
65.03941	0.4
66.04709	0.6
69.93318	1.5
69.95518	0.4
74.20618	0.4
79.05485	1.0
81.07074	0.8
91.05483	2.0
94.04177	3.0
96.57405	0.3
98.88918	0.4
103.05470	0.7
105.07026	0.7
107.04959	0.8
109.06506	0.6
115.05468	0.7
117.07042	0.7
119.04934	0.8
119.08581	0.5
121.06510	2.2
122.03651	6.7
123.11713	0.5
129.07018	0.5
131.04916	1.1
131.08632	0.5
133.10144	0.5
135.11688	0.8
136.05200	0.8
137.05978	100.0
138.06284	0.6
145.06497	1.2
146.07260	2.7
147.04456	0.7
147.08041	0.6
149.05952	3.3
149.13368	0.4
151.03897	1.4
151.07550	10.5
157.06538	0.5
158.07256	0.9
159.08110	0.5
161.06006	0.6
162.06718	0.5
165.05493	1.6
167.07089	0.6
172.08820	0.7
174.06749	1.2
175.07544	1.5
175.14891	0.7
177.05521	1.2
177.09094	7.4
179.07060	1.4
187.07552	1.7
188.08302	0.7
189.09106	4.9
191.10590	0.9
193.15904	0.7
201.09090	4.9
203.10722	2.0
211.16943	2.0
217.08633	1.2
219.10153	0.9
231.08128	0.5
231.10196	1.3
235.11189	0.7
237.11220	3.3
241.08675	0.7
242.55447	0.4
245.09532	0.6
246.10500	0.6
248.08270	0.8
257.48969	0.5
261.09146	0.9
262.09842	1.0
263.10693	0.6
273.09137	0.7
274.09900	1.1
275.10757	0.8
277.12418	1.0
279.10223	0.6
284.10492	1.3
290.09344	1.3
291.10159	1.4
293.11679	0.9
294.12549	0.4
295.10095	0.7
295.13300	2.3
305.11743	9.2
306.12512	1.1
310.11978	0.7
313.11035	0.5
322.12115	0.9
323.12817	2.3
325.14456	1.4
328.01141	0.5
337.14337	6.1
355.15414	4.7
373.12469	0.7
373.16403	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1647
Annotation	Aristelegin C
Peak:m/z	Relative Intensity
53.25823	0.5
55.01854	0.9
62.50816	0.6
65.03933	0.7
69.03429	0.8
69.07038	0.9
70.85421	1.1
72.59370	0.5
79.05495	1.5
81.03416	1.4
81.07067	1.1
91.05473	2.3
93.07033	0.5
94.04190	2.1
95.04961	0.6
96.94390	0.5
97.06527	2.1
103.05466	0.8
105.07026	0.8
107.04970	2.1
107.99035	0.5
109.02876	0.6
109.06519	0.9
109.10147	0.6
111.04489	0.7
115.05431	0.8
117.07012	1.2
119.08587	0.8
121.06471	2.9
122.03651	6.1
123.04453	0.5
129.07021	0.8
131.04927	1.7
131.08563	0.6
133.10136	2.0
134.10445	0.5
137.05978	100.0
138.06339	0.8
145.06517	1.4
146.07231	2.7
147.08121	0.5
149.05998	3.7
151.03905	1.4
151.07550	11.8
153.05411	0.8
155.29523	0.6
157.06573	1.1
158.07330	0.7
159.08023	1.0
161.06004	0.6
162.06786	0.9
163.07552	1.1
165.05481	1.4
165.09109	0.6
165.12727	0.6
167.03426	1.2
167.07068	3.0
172.08823	0.8
173.05911	0.6
174.06804	2.1
175.07579	1.9
177.05510	1.8
177.09119	5.7
179.07106	0.9
185.10156	0.5
187.07555	1.8
188.08295	1.9
189.09157	5.0
193.12314	0.7
193.15878	0.7
201.09132	9.5
203.06963	0.7
203.10713	2.0
205.08585	0.9
207.53511	0.5
209.11824	0.6
211.13286	1.4
211.17009	1.5
217.08614	1.2
219.06282	0.7
219.08211	0.8
219.10089	1.1
231.07999	1.3
231.10237	1.6
235.07635	0.8
237.11198	3.1
241.08673	1.0
245.09673	0.8
253.08646	0.6
261.09052	1.0
262.09894	1.3
263.10751	1.2
265.08847	0.5
265.12125	0.6
269.08136	0.8
274.09891	1.2
275.10645	0.5
277.12332	1.2
283.96918	0.5
284.10565	2.2
285.11111	1.1
290.09265	0.9
291.10159	2.2
293.11700	0.9
294.12515	0.7
295.09979	0.6
295.13083	1.0
297.11282	1.1
305.11707	8.7
306.12543	1.5
307.09692	1.0
310.12085	0.8
322.12109	0.8
323.12787	1.7
325.14249	2.8
337.14301	5.6
343.11771	1.6
355.15253	5.0
373.12445	2.6
373.16800	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1648
Annotation	MEGxp0_001756
Peak:m/z	Relative Intensity
53.30353	0.4
63.86524	0.4
67.05490	0.5
68.49331	0.3
69.56316	1.7
69.56734	0.9
71.01350	0.4
79.05495	0.6
81.07054	0.6
91.05501	1.9
93.06988	0.4
94.04197	2.5
95.04990	0.4
103.05480	0.5
107.04939	1.0
109.02840	0.4
115.05503	0.7
117.07060	0.8
119.04922	0.6
121.06512	3.3
122.03651	7.5
123.01582	0.4
131.04893	1.1
133.06496	0.7
135.04387	0.5
136.05217	0.5
137.05986	100.0
138.06357	0.8
145.06485	1.0
146.07265	2.8
147.04454	0.7
149.05989	3.6
151.03923	1.4
151.07544	10.0
153.05478	0.9
160.08774	0.5
161.06023	1.3
162.06770	1.0
163.07524	0.7
165.05519	2.3
167.07094	1.0
173.05957	0.4
175.07591	0.8
177.05504	2.8
177.09123	6.9
179.07083	2.2
179.08372	0.4
187.07687	0.7
189.09102	0.9
189.20647	0.4
191.07109	0.5
191.10712	0.9
193.08540	0.9
201.09164	1.4
203.10623	0.7
205.08583	0.8
211.06050	0.6
217.08705	0.5
219.10164	1.0
231.08194	0.5
235.11191	0.9
237.11214	3.4
245.09587	0.8
247.07570	0.6
261.09131	0.5
262.09888	0.6
263.10733	0.8
274.09970	0.8
277.12115	0.6
290.09445	0.7
291.10123	0.6
295.10309	0.6
295.13208	2.0
305.11722	8.9
305.15073	0.6
306.12433	1.1
323.12817	2.2
327.12369	0.6
337.14355	4.3
355.15335	3.2
373.17169	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1647
Annotation	Arctigenin
Peak:m/z	Relative Intensity
52.86167	0.3
66.04733	0.5
70.42368	0.5
70.42765	0.6
76.08195	0.3
79.05486	0.9
81.07044	0.5
91.05478	1.1
94.04192	2.5
95.04953	0.3
96.47192	0.3
103.05499	0.4
107.04956	0.9
109.06506	0.3
115.05449	0.4
117.07025	0.9
121.06497	2.9
122.03649	6.9
131.04919	0.7
135.04285	0.3
136.05202	0.8
137.05980	100.0
138.06325	0.7
145.06473	1.5
146.07259	2.8
147.04468	0.4
147.08051	0.5
149.05989	2.9
151.07555	9.7
160.08809	0.6
161.05981	0.7
162.06761	1.1
165.05475	1.6
175.07599	0.4
177.05507	1.8
177.09103	6.9
179.07091	0.6
189.09160	0.9
191.06932	0.3
191.10620	0.8
201.09135	0.7
203.10605	0.5
205.08604	0.6
208.61699	0.3
217.08633	0.7
219.10211	0.9
237.11234	3.3
242.68443	0.3
245.09659	0.9
246.10399	0.7
247.07680	0.4
261.09369	0.3
262.09921	0.7
263.10675	0.7
273.09109	0.5
274.09891	1.1
277.12274	1.0
290.09442	0.8
291.10190	1.3
295.13278	1.9
305.11740	9.3
305.15115	0.7
306.12427	0.5
323.12793	1.9
337.14359	3.7
355.15439	2.8
373.16586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24232	1.6
59.96681	1.9
65.03944	1.6
65.91663	1.7
66.11967	1.4
67.05482	2.0
70.71340	4.5
72.47325	1.8
79.05477	3.0
82.56970	1.5
91.05477	5.3
93.21128	1.5
94.04140	1.9
95.04947	2.3
98.20741	2.0
98.33836	1.5
103.05493	2.6
105.03419	1.9
107.04948	5.6
108.05806	1.6
117.07029	2.3
121.06522	4.9
122.03633	2.6
123.04446	41.1
123.05328	2.0
128.06183	3.3
129.06992	3.9
131.04918	7.0
133.06503	1.8
135.04430	2.8
136.05196	5.6
136.88713	1.6
137.05989	53.3
138.06302	32.1
143.08615	2.1
145.06490	7.2
146.07237	5.2
149.06020	3.9
150.06209	1.8
151.07545	100.0
152.07864	8.4
157.06497	6.2
158.07278	5.3
159.08025	5.1
160.05156	2.5
160.08844	4.1
161.05937	7.3
163.03886	2.0
172.08850	18.5
173.05994	14.6
174.06735	8.5
175.07545	10.7
176.08368	9.7
177.09129	15.7
179.07036	4.3
188.08330	39.2
189.09100	28.4
191.10712	4.7
191.95842	1.7
193.04938	2.0
195.06523	3.8
201.09096	7.1
203.06937	3.2
203.08800	2.1
203.10681	47.9
212.08308	2.8
217.08569	2.6
218.07303	2.0
219.08151	3.0
219.10156	31.1
221.09674	2.2
227.07109	3.1
228.07813	2.2
229.08603	2.9
231.08058	2.5
232.08626	2.0
233.09659	2.9
234.10439	4.5
235.07530	3.2
237.11273	2.0
239.07034	2.6
240.07709	4.1
241.08592	1.9
247.07570	3.8
247.09665	82.6
249.09047	1.8
250.09894	4.2
256.07315	7.2
261.09061	5.9
262.09973	9.3
263.07004	3.0
263.10620	10.5
265.08890	2.1
265.12253	5.6
271.09650	33.6
275.10626	3.1
277.08551	4.1
278.09286	5.1
279.10275	4.1
280.10907	5.8
290.09308	2.2
291.09772	2.0
293.08319	2.8
293.11697	27.2
306.12027	5.8
307.09674	2.3
308.10403	27.8
311.12762	22.5
321.11212	19.6
324.13184	2.2
338.14667	5.3
339.08624	1.7
339.12238	43.0
356.15671	4.4
357.13287	19.5
393.41815	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	375.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01867	0.7
56.95568	0.2
57.03426	0.6
61.02923	0.2
62.45262	0.2
68.99789	0.3
69.03435	2.2
70.68227	0.5
71.05007	0.2
73.02909	0.7
81.03421	2.7
85.02905	3.6
87.00826	2.0
97.02890	1.4
99.04443	0.8
105.01865	0.7
109.02885	2.9
117.01851	0.3
122.19964	0.2
127.03918	100.0
128.04271	0.6
129.01830	0.3
137.05984	0.4
145.04968	1.2
147.02895	0.3
153.68980	0.2
159.02911	1.7
159.53596	0.2
231.05045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01872	0.9
55.05495	0.3
55.98396	0.3
56.96565	0.9
57.03430	1.0
60.53754	0.3
61.02924	0.9
64.79653	0.3
69.03435	3.0
70.33087	1.2
71.04994	0.6
73.02907	0.8
76.99288	0.3
79.05500	0.5
81.03411	3.1
84.04506	0.5
84.08139	0.3
85.02908	6.0
85.03382	0.5
86.09695	0.3
87.00829	1.8
88.09286	0.3
97.02920	2.1
98.97601	1.8
99.04467	1.4
101.00865	0.4
105.01863	1.0
109.02875	2.6
110.97581	0.3
116.98632	0.5
117.01823	0.4
119.01907	0.3
121.06531	0.4
127.03923	100.0
128.04268	0.7
128.98511	0.3
129.01816	0.3
131.00229	0.3
137.05942	0.7
143.01878	0.4
145.05008	1.6
147.04379	0.4
158.99702	0.7
159.02902	1.4
161.02942	0.3
163.03912	1.1
164.92654	0.3
172.05725	0.4
189.00764	0.3
189.04182	0.4
189.05960	0.4
191.03877	0.4
219.01756	0.6
231.05244	0.5
239.05824	0.4
249.70659	0.3
263.04037	0.4
314.60657	0.3
359.10266	0.5
375.06213	0.7
375.10349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56161	3.0
59.51902	2.9
61.02908	4.0
69.88387	14.2
74.88206	3.1
85.02888	5.3
96.32704	2.8
143.01891	3.4
210.44208	3.0
249.42694	2.8
285.09082	3.4
343.11774	4.1
373.46158	3.2
375.10349	88.0
375.14255	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	375.1438
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.03948	1.2
55.01874	1.7
65.03941	1.8
67.05508	1.6
70.79678	1.3
81.03423	9.0
91.05508	0.9
93.03426	1.4
94.04160	1.3
95.04948	0.7
96.79585	0.7
107.04957	0.8
108.02096	2.2
109.06532	1.3
115.05465	2.7
117.07002	1.0
119.10539	0.7
121.06461	0.8
122.03651	2.9
125.06013	2.1
128.06230	2.1
129.06999	7.5
131.04910	1.7
137.05984	43.4
138.06375	1.4
141.05484	1.9
143.04927	3.4
147.08049	2.2
151.03917	100.0
151.05017	9.3
153.05464	3.3
157.06494	9.2
160.05151	1.5
161.05998	2.9
161.09697	1.3
165.05467	1.6
171.04427	4.4
174.06789	1.3
175.07544	4.6
176.04655	1.2
187.07582	1.2
188.04762	1.3
189.09125	9.0
191.07034	5.8
203.07051	20.0
205.08603	4.9
215.07137	1.5
219.08075	1.3
221.08109	6.2
233.08154	3.7
247.07500	1.5
248.08780	0.8
249.09109	1.0
251.10660	0.8
261.09192	1.6
277.08640	1.7
279.10205	3.2
286.08450	2.2
289.08444	0.8
295.09702	1.6
297.11212	1.1
307.09637	2.7
308.10312	0.9
309.11398	1.4
311.12643	1.2
312.09991	1.0
321.11176	4.5
323.30298	0.7
327.12317	9.2
329.91672	0.8
339.12244	6.8
345.13376	1.4
357.13373	6.7
375.14417	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1439
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.03954	0.8
55.01868	2.7
57.02550	0.8
57.87635	0.6
65.03935	2.3
67.05497	2.0
69.03439	1.2
69.40804	0.7
70.15679	2.5
79.05485	1.1
80.42175	0.7
81.03423	8.7
81.07055	0.8
83.04961	1.0
85.02881	1.8
91.05477	1.2
91.16901	0.8
93.03402	1.0
94.04176	0.9
95.04973	1.3
95.08593	0.7
103.05477	1.6
105.27736	0.8
107.04970	2.0
108.02091	2.4
109.02897	1.1
109.06515	1.2
111.04462	2.0
115.05430	2.1
117.07021	1.1
121.06541	1.0
122.03641	2.9
123.04343	0.7
125.06008	1.6
128.06250	2.1
129.07018	8.5
130.05023	2.1
131.04933	2.7
136.01625	0.9
137.05986	48.2
137.20641	0.7
138.06320	2.1
139.06563	1.0
141.05481	2.1
143.04932	3.0
145.06499	1.7
147.04411	1.0
147.08092	1.0
149.06099	0.7
151.03918	100.0
151.05025	9.2
152.04195	1.1
153.05484	5.6
157.06494	9.9
160.05161	1.9
161.06000	3.0
161.09624	1.4
163.03899	1.1
163.07561	1.5
165.05484	2.6
165.06764	0.7
167.03465	1.3
167.07076	1.8
171.04445	3.5
175.07578	5.2
176.04727	0.9
177.05527	0.8
177.09166	2.1
179.07065	1.8
179.11835	0.8
183.04469	0.9
187.07675	1.6
188.04681	1.5
189.05453	0.8
189.09103	8.8
191.06998	6.6
195.06577	1.7
203.07053	17.9
205.08629	4.6
215.07030	1.6
219.08101	2.2
221.08138	6.3
233.08099	4.5
235.07645	1.0
237.09070	1.0
239.10732	1.2
246.06796	1.0
246.14923	7.5
247.07495	1.0
253.08507	0.8
261.09238	1.2
264.07800	0.9
267.10181	1.9
272.10565	0.9
277.08627	1.5
279.10214	2.2
286.08411	1.9
289.08649	1.0
295.09659	2.9
297.11151	1.7
306.08826	1.0
307.09454	3.4
309.11063	1.0
311.12805	1.9
320.12817	0.7
321.11224	4.1
327.12314	9.9
329.13834	3.8
339.12299	8.0
345.13235	1.2
357.13324	11.4
375.14395	3.0
375.19131	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	375.1438
Annotation	Vladinol D
Peak:m/z	Relative Intensity
51.02378	0.8
53.03936	0.9
55.01874	1.4
55.91289	0.7
59.30578	0.7
65.03929	2.4
67.05495	2.5
69.48470	5.0
72.74397	0.7
81.03421	51.7
85.02923	1.6
91.05476	2.6
93.03381	1.1
94.04156	1.2
95.04956	0.9
105.07024	1.0
107.04940	1.5
108.02112	3.2
109.06520	1.5
115.05479	1.6
117.07028	2.2
119.04960	0.8
122.03643	3.4
123.04484	0.7
125.05949	1.8
128.06235	2.9
129.07024	9.0
130.04997	1.4
131.04958	1.0
133.06458	1.2
136.01509	0.8
137.05983	59.3
141.05501	2.4
143.04913	2.9
143.05937	0.8
145.06543	2.2
147.08069	1.5
151.03915	100.0
151.05034	10.5
152.04218	1.3
153.05469	2.1
155.04977	0.9
157.06488	10.2
160.05205	1.2
161.06013	2.2
161.09674	1.4
165.05498	2.4
167.06976	1.1
171.04411	4.1
175.07520	5.0
176.04851	0.9
177.05501	0.8
177.09138	5.6
187.07613	1.5
188.04736	0.9
189.05476	1.6
189.09120	6.5
190.07797	0.7
191.07054	3.1
191.08691	0.8
193.08597	2.5
203.07042	14.1
205.08594	22.1
215.07097	2.1
219.08249	0.9
221.08144	2.8
233.08052	6.0
243.06615	2.2
246.06520	0.8
246.14941	3.1
247.07564	1.2
261.09143	1.0
263.07010	1.4
269.08130	0.8
271.06107	1.7
277.08691	1.7
279.10202	0.8
285.07693	1.0
286.08319	7.8
289.08698	0.9
294.08533	0.8
295.09818	1.0
297.11099	1.0
307.09613	1.7
321.11304	3.7
321.66074	0.7
327.12366	7.0
339.12405	4.6
357.13391	8.4
375.14508	1.4
375.19116	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1436
Annotation	Vladinol D
Peak:m/z	Relative Intensity
50.27424	0.4
53.03952	0.9
55.01862	1.4
65.03930	2.1
67.05501	1.8
69.40891	3.1
71.11906	0.4
76.32133	0.4
79.05479	0.8
81.03423	7.7
81.07049	0.6
91.05495	0.9
93.03413	1.5
94.04175	1.2
95.04976	1.1
98.20805	0.9
99.05801	0.4
101.24650	0.4
103.05501	0.9
105.07036	0.5
107.04959	0.8
108.02120	2.3
109.06529	1.1
111.04443	1.6
115.05444	2.8
117.07024	0.7
122.03651	2.9
123.99738	0.5
125.05988	1.2
128.06224	2.6
129.07004	8.1
131.04909	1.8
136.01599	0.5
137.05983	45.5
138.06320	2.0
139.03877	0.5
139.06532	0.8
141.05470	1.3
143.04922	3.7
144.05753	0.5
145.06549	1.0
147.08061	1.6
149.06023	0.6
151.03915	100.0
151.05017	9.2
152.04234	1.1
153.05467	3.3
155.06081	0.7
157.06500	9.2
160.05223	2.0
161.05954	2.4
161.09665	1.3
163.07550	1.0
165.05453	2.2
167.07059	2.0
171.04420	3.9
172.05211	0.5
174.06747	1.1
175.07532	5.1
176.04649	0.7
181.27209	0.4
187.07544	1.5
188.04765	1.1
189.05443	0.6
189.09109	9.0
191.07076	5.7
191.08609	0.8
203.07039	19.3
204.07401	0.6
205.08626	5.5
215.07042	1.3
218.07219	0.6
219.08009	1.3
221.06032	0.4
221.08087	7.1
233.08116	4.2
234.06740	0.9
234.50882	0.5
235.07501	0.5
243.06654	0.7
247.07462	1.4
251.10823	0.6
261.09253	1.6
263.07104	0.8
264.07867	0.9
265.08542	0.9
269.08273	0.6
277.08649	0.6
279.10217	2.0
284.10287	0.9
285.07788	0.7
286.08435	1.7
289.08548	1.0
294.08710	0.5
295.09763	2.2
295.13055	0.5
306.09012	1.0
307.09674	3.5
309.11301	1.3
311.12885	2.3
312.09930	1.0
321.11182	4.1
327.12314	8.8
328.12793	0.5
339.12210	5.6
345.13092	1.3
357.13278	7.8
375.14432	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	375.144
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.03941	1.3
54.10109	0.6
55.01867	1.4
56.67937	0.6
65.03949	1.5
67.05508	1.6
69.03417	1.4
69.72490	3.8
80.58086	0.6
81.03427	7.7
84.73364	0.6
85.02896	1.3
91.05485	2.7
92.05779	1.2
93.03413	1.7
94.04192	0.7
95.04961	1.6
97.02861	1.2
101.07187	0.6
108.02105	2.9
109.06497	2.1
109.10230	0.8
111.04441	1.3
112.68336	0.8
115.05449	3.3
117.07066	1.0
122.03651	2.5
123.04420	0.7
125.05994	1.5
125.09526	0.7
127.03931	1.4
128.06216	3.9
129.07025	9.3
131.04889	1.6
137.05983	42.8
141.05466	2.1
143.04909	3.2
145.06503	1.7
147.08057	1.9
149.05983	0.9
151.03915	100.0
151.05035	10.8
152.04221	1.2
153.05467	3.2
157.06497	10.1
159.04420	1.1
160.05150	1.3
161.06001	2.1
161.09613	1.6
163.07527	0.8
165.05519	1.9
171.04445	4.1
174.06808	1.3
175.07582	4.0
176.04718	0.9
177.05455	0.8
179.08643	0.7
187.07536	2.0
188.04710	1.2
189.09082	8.8
191.07007	7.2
191.08563	1.0
203.07034	20.8
205.08650	5.6
215.07030	1.1
219.08020	1.0
221.08099	6.3
233.08113	4.8
235.07561	1.4
247.07602	1.3
249.09099	0.9
261.09210	1.3
263.07053	0.7
277.08658	1.5
278.09439	0.8
279.10352	1.2
283.09634	0.8
285.07709	1.2
286.08340	3.1
289.08694	1.1
295.09708	1.5
297.11246	1.0
307.09616	3.7
309.11359	1.4
311.12564	1.2
321.11099	3.2
327.12302	8.5
328.12991	0.7
339.12222	7.8
345.13528	1.3
357.13342	5.4
375.14774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	5.5
66.80719	0.6
67.05506	0.9
68.02324	0.6
69.30739	1.9
69.31152	3.5
79.05496	1.0
81.03423	1.0
91.05478	1.1
92.04997	2.8
93.07037	1.6
94.06557	1.9
95.07344	1.5
96.08127	3.2
97.06547	0.7
103.05466	1.0
108.08135	6.3
110.09693	5.5
116.04978	1.0
120.04478	6.5
120.08086	3.4
122.06040	3.1
124.07589	1.4
136.07588	2.9
137.06010	6.9
138.06351	1.5
138.09143	7.0
144.04462	3.7
146.06020	0.8
147.08060	0.8
148.03937	100.0
149.04268	1.1
151.03908	6.5
153.04337	0.7
162.05527	3.7
163.07587	1.3
166.05017	12.7
166.08667	14.4
167.07132	2.1
171.04279	0.7
172.03951	17.4
177.16431	0.9
190.04994	8.6
193.08580	0.7
203.07089	1.2
204.06560	30.5
205.06914	1.1
221.08090	0.7
222.07660	1.6
227.11815	1.7
237.19412	0.9
255.11295	14.5
273.12326	11.7
283.10809	12.8
301.11838	81.5
302.12015	1.3
319.12943	1.8
325.11832	2.1
327.12271	0.7
339.13055	0.7
343.12891	21.5
357.14291	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
67.05508	0.6
69.22223	4.4
69.22624	1.3
78.04692	0.6
79.05504	1.8
81.07056	0.7
91.05466	2.3
93.07043	0.6
98.20721	0.8
103.05485	0.6
105.07049	8.5
107.08630	0.6
115.05450	2.0
117.07012	3.5
119.04939	1.1
121.06513	2.1
123.04432	1.5
123.08075	2.5
128.06323	0.6
132.05672	1.0
133.06509	8.8
135.08060	0.7
136.05246	0.7
136.24940	0.5
137.05956	1.7
143.08545	0.9
144.05711	0.5
145.06508	1.0
147.40520	0.6
148.03938	1.7
149.09692	0.9
151.03886	2.1
151.07559	9.7
153.05498	0.7
160.05298	0.7
161.05997	6.4
162.06755	2.5
167.07059	12.4
172.03831	0.6
175.07513	1.4
177.09126	100.0
178.09517	1.7
182.25690	0.5
193.08626	40.1
194.08969	0.5
195.10165	7.4
203.10693	1.4
204.06636	0.8
221.11755	7.5
283.34995	0.5
301.11731	2.4
375.18784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01867	1.0
65.03935	0.9
66.04285	0.7
67.05506	1.2
69.28770	6.0
73.79853	0.8
78.04692	1.2
79.05502	2.1
81.03425	7.3
81.07080	1.1
89.80434	0.8
91.05474	3.1
93.07053	1.3
95.04973	0.9
98.21563	1.2
103.05482	1.8
105.07039	6.2
106.04189	0.8
107.04952	2.3
108.02046	1.1
109.06538	1.0
111.04480	1.4
115.05465	3.5
117.07049	3.9
119.04933	1.6
121.06507	1.6
122.03677	1.0
123.04450	1.8
123.08061	1.1
123.11703	0.8
125.06033	1.1
128.06238	1.7
129.07039	3.2
131.04947	1.4
133.06514	8.7
135.08119	1.5
137.05994	23.2
141.05481	1.3
143.04944	2.2
145.06506	1.7
147.08086	0.9
149.06003	1.0
149.09679	0.9
151.03928	45.9
151.05031	4.2
151.07550	10.2
153.05469	2.9
157.06490	3.7
160.05202	1.0
161.06000	8.5
162.06763	2.5
163.03911	1.0
163.07536	1.3
165.05469	1.1
165.21265	0.7
167.03424	1.4
167.07056	15.2
171.04420	1.7
175.07516	4.9
177.09129	100.0
178.06288	1.0
187.07494	1.0
189.09169	4.0
191.07054	3.0
193.08638	41.2
195.06543	1.4
195.10196	7.3
203.07059	9.1
203.10698	2.0
205.08698	4.2
215.07059	1.0
221.08087	2.9
221.11758	9.0
233.08185	1.8
246.14999	0.8
279.10281	1.1
286.08481	1.4
307.09583	1.8
321.11267	2.1
327.12183	3.8
339.12265	2.8
357.13245	3.6
375.14450	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	375.2379
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03942	2.0
53.75329	1.3
55.01875	2.5
55.05500	5.8
57.10005	1.3
63.59537	1.4
64.79658	1.2
67.05515	7.1
69.03419	6.0
69.07076	9.1
69.37982	10.9
71.04969	3.6
79.05485	5.9
81.03391	4.5
81.07067	12.6
83.08635	6.8
85.02898	7.5
85.06531	3.7
91.05464	4.8
93.07049	11.4
95.04974	1.6
95.08062	2.4
95.08615	27.6
97.02856	2.5
97.06520	2.5
97.10139	4.8
99.08101	19.7
105.07021	4.8
107.04954	2.1
107.08605	26.6
109.02917	1.9
109.06554	1.6
109.10187	8.5
111.04430	2.0
111.08090	6.8
113.09654	1.5
115.05497	1.3
119.08557	2.4
121.10150	45.2
122.03615	2.0
123.04468	1.6
123.08048	1.7
123.11748	2.0
125.09634	4.3
127.03943	2.7
129.06993	2.3
133.06487	1.6
135.08028	1.4
135.11755	7.0
137.05991	28.8
137.13231	7.4
138.06310	6.1
139.06490	2.7
143.04927	2.1
148.03922	2.0
149.13252	3.2
151.03922	32.5
151.05043	3.4
151.07524	4.7
153.05492	3.1
157.06480	3.4
158.97391	1.6
161.05942	2.6
163.07547	2.1
165.05484	1.8
167.07074	17.5
171.04451	1.4
175.07556	3.3
177.09131	8.1
177.16397	100.0
178.16801	1.5
181.04999	1.4
187.07603	1.6
189.09126	2.5
191.07042	4.3
193.08658	3.7
195.17458	20.0
199.08664	1.5
203.07051	6.1
205.08569	2.0
213.18500	40.3
222.06638	1.7
227.08101	4.1
234.99086	2.7
255.07658	6.0
265.08514	1.8
283.07208	12.1
295.09796	1.7
296.10349	1.5
297.11172	2.4
301.08112	9.2
311.09244	1.9
313.10757	2.3
325.10611	2.5
325.76923	1.6
327.12216	3.4
339.12048	1.9
345.13275	2.3
357.13043	6.8
375.07312	4.6
375.14514	6.7
375.18597	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	375.2378
Annotation	Manglieside C
Peak:m/z	Relative Intensity
52.20935	1.6
55.00880	1.7
55.01868	3.2
55.05504	4.6
57.07078	3.2
61.02900	1.6
61.77549	1.3
65.13123	1.7
67.05508	4.7
69.03423	3.6
69.07056	10.0
69.38939	10.9
71.04988	2.7
78.24977	1.6
79.05487	5.5
81.03400	4.8
81.07046	14.5
83.08624	6.3
85.02899	5.2
85.06538	4.3
91.05497	4.1
93.07055	12.8
95.04951	2.4
95.08607	26.5
97.10162	4.6
99.08094	19.5
105.07027	3.8
107.05009	1.6
107.08595	26.5
109.02888	3.3
109.10129	7.7
111.08090	9.9
113.09645	2.0
115.05456	2.1
118.92764	1.8
119.08613	1.7
121.10146	47.0
123.11741	2.1
125.09630	5.1
127.03943	1.9
129.06975	2.1
131.04933	3.2
135.11700	6.8
137.05978	26.0
137.13264	5.3
138.06306	8.5
139.06499	2.7
149.13249	2.8
151.03912	16.4
151.04994	2.4
151.07553	6.0
153.05434	3.5
158.97395	2.3
167.07080	17.1
175.07524	3.2
176.25288	1.7
177.09138	10.6
177.16389	100.0
191.07079	2.5
193.08664	1.9
195.17447	24.3
203.07095	3.6
205.08643	2.9
213.18513	41.4
221.08145	1.7
227.08054	2.3
234.99008	4.3
255.07704	2.9
265.08258	1.6
283.07037	7.2
301.08170	6.5
313.10980	1.8
325.10498	4.2
345.13113	2.5
357.13315	6.2
375.07251	4.6
375.14117	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01880	8.4
55.05295	1.5
55.05520	12.9
57.03431	6.5
57.07061	2.4
58.79326	1.5
59.04994	2.1
61.02930	8.9
61.92222	1.3
65.03940	4.9
67.05515	9.8
69.03429	27.1
69.07074	28.8
69.16764	3.4
69.17178	11.5
71.05000	9.7
71.08630	1.7
73.02906	3.5
79.05486	9.8
81.03424	18.0
81.07060	22.7
83.04979	6.6
83.08620	5.2
85.02914	67.5
85.06557	17.1
86.09695	1.9
87.04464	5.5
91.03948	3.3
91.05482	10.8
93.07050	12.3
93.94424	1.5
94.04145	1.8
95.04963	3.7
95.08611	36.4
97.02898	24.9
97.06569	7.0
97.10185	7.0
99.04458	6.4
99.08105	17.9
103.05473	5.4
105.07021	5.9
107.04961	4.5
107.08598	22.6
109.02883	8.7
109.06517	3.1
109.10149	12.9
111.04450	3.3
111.08086	3.1
111.11709	5.7
113.09654	6.4
115.05474	3.0
117.07021	2.4
119.04941	13.7
119.08588	1.8
121.06470	2.2
121.10158	27.5
122.03645	6.7
123.04446	4.6
123.11709	6.7
124.07561	2.3
125.06011	3.1
125.09631	4.3
125.13252	2.8
127.03930	18.6
127.11190	2.4
128.06175	1.7
129.07019	9.3
130.04996	3.0
131.04930	3.9
133.06497	2.0
135.11671	9.8
137.05984	100.0
137.13275	15.7
138.06310	2.6
139.11177	6.0
143.04910	5.4
144.26393	1.5
145.04956	11.8
145.06522	3.5
146.03658	2.6
147.04424	25.8
149.05981	6.9
149.13301	4.0
151.03917	85.6
151.05026	8.3
151.07549	2.4
151.14822	4.8
153.05482	37.9
153.12764	9.3
157.06467	9.7
160.05220	2.2
161.05995	10.6
163.07567	6.6
164.04829	1.6
165.05498	17.8
167.07071	15.2
171.04391	3.3
175.07541	6.6
177.05489	6.1
177.09097	7.7
177.14830	3.5
177.16389	71.0
179.07059	24.1
179.08556	3.1
181.04964	2.7
181.08711	2.0
187.07559	1.9
189.09108	10.3
191.07050	7.5
193.08575	4.3
195.17465	32.1
199.07594	1.4
203.07031	21.5
205.08659	5.7
207.08037	2.8
213.18500	43.2
219.08055	2.2
221.08092	5.9
233.08075	4.0
235.07568	5.0
237.09151	1.9
241.08659	1.5
244.13531	1.6
245.13676	2.1
246.14703	2.4
247.07425	2.1
263.06998	1.9
264.08255	2.0
270.05545	1.6
277.08548	2.2
279.10257	4.6
289.48019	1.5
295.09686	6.4
307.09680	6.9
311.12973	3.6
312.10062	3.7
321.11194	7.1
327.12189	11.0
339.12366	10.3
345.13531	3.0
346.71127	1.6
357.13416	18.0
375.14813	9.1
375.18851	4.3
375.23816	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	377.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55365	3.6
55.01883	6.0
56.96568	44.1
57.03423	7.5
61.02922	14.1
67.05500	4.1
69.03432	22.6
69.13590	27.3
69.14011	9.6
70.98106	3.9
73.02902	19.2
73.79025	3.8
79.05493	6.1
81.03436	5.4
84.96030	8.9
85.02916	65.7
85.81944	3.4
89.03897	5.7
91.03962	9.3
93.07079	3.8
95.05001	4.6
96.98542	3.7
97.02898	24.3
97.86198	3.4
98.97585	67.8
99.04469	5.1
101.00876	9.0
105.00127	5.0
109.02854	5.3
110.97575	15.3
116.98624	14.0
117.03375	5.0
119.01896	6.3
119.04920	6.4
124.99140	12.7
127.02415	6.2
127.03942	25.5
128.02332	4.8
128.04256	6.1
128.98587	8.6
131.01837	5.6
132.45576	4.2
132.98125	4.7
135.04413	11.6
137.05963	10.5
140.98610	6.3
142.96524	5.5
143.00203	21.5
143.01918	8.1
145.04973	10.7
155.02895	8.2
158.99677	22.1
161.01210	8.0
161.02928	9.1
163.02599	6.6
163.03909	61.0
164.04292	4.1
169.01688	5.3
170.99657	10.1
173.01392	4.7
173.02890	7.3
177.00735	10.5
179.03796	8.1
185.01285	6.4
189.00754	6.2
191.03912	13.8
191.05586	4.9
195.01451	9.5
197.01181	14.1
200.04399	19.5
201.00745	7.2
203.02231	4.3
205.00204	7.2
209.05061	4.4
215.02257	6.9
215.06081	5.1
215.54027	6.6
219.01790	23.9
221.03055	4.0
224.04387	8.0
231.03551	7.7
237.02850	17.7
241.03889	16.0
243.01967	4.7
249.02818	11.4
255.03894	5.3
259.04950	6.3
267.03940	8.5
272.06461	5.3
275.02570	6.0
279.03787	7.8
279.35080	4.6
281.07108	23.2
283.04831	11.7
285.02621	4.7
287.06287	5.8
291.03842	9.2
303.04068	5.4
309.05054	6.4
309.08594	12.2
327.03726	8.7
345.01297	5.7
363.02246	4.3
377.08395	100.0
377.12262	34.2
378.08469	5.1
381.10709	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61487	0.6
51.74702	0.6
56.96550	0.6
58.28312	0.6
69.03386	0.6
70.25053	1.7
73.02919	1.1
85.02890	1.4
92.52505	0.8
97.02892	1.0
98.97560	1.2
101.37335	0.5
127.03922	0.8
158.99770	0.7
191.03915	1.0
281.07053	1.0
377.12085	100.0
378.12506	1.4
395.12131	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1443
Annotation	4-Methylantirrhinoside
Peak:m/z	Relative Intensity
53.03949	3.4
55.01867	2.5
57.01773	2.3
57.03440	2.7
59.37815	1.8
67.05502	5.5
69.03425	4.9
70.63670	6.4
71.53747	1.7
74.76937	1.9
79.05500	19.0
81.03429	3.4
81.07063	28.5
83.01373	2.6
83.04967	2.3
85.02915	10.5
87.00878	2.2
91.05472	6.3
93.07056	9.5
95.05000	3.2
95.08607	9.0
97.02894	2.1
101.02357	3.4
103.05466	3.7
105.07034	25.6
107.04972	3.5
107.08576	6.5
109.02845	2.9
109.06520	14.8
111.04446	4.7
115.05461	4.5
117.07034	3.2
121.06529	9.7
123.08062	11.8
125.05952	2.6
127.03912	14.0
127.07536	3.5
128.04282	3.7
129.04355	4.1
129.05481	8.1
132.69051	2.1
133.06488	28.8
135.04422	4.6
135.08015	5.6
135.79898	1.9
137.06003	14.8
139.07558	4.0
149.05971	22.0
151.07561	13.6
153.09085	14.3
161.05984	24.0
169.08630	2.5
179.07037	46.5
197.08096	100.0
215.05675	2.0
215.09180	43.3
243.71747	2.1
377.08398	11.2
377.13895	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	377.1445
Annotation	4-Methylantirrhinoside
Peak:m/z	Relative Intensity
53.03946	2.9
55.01878	2.8
57.03439	2.9
62.22472	1.6
67.05499	4.0
69.03425	4.6
71.01344	2.4
71.51099	2.1
72.08152	3.1
72.90224	1.8
73.73502	2.0
79.05501	22.8
81.03431	5.8
81.07071	26.7
83.01351	4.2
83.05023	3.2
85.02911	11.3
91.05485	9.8
93.07042	10.6
95.04991	3.6
95.08614	7.1
98.97616	2.4
101.02387	7.5
103.05458	3.2
105.01850	2.3
105.07034	28.3
107.04966	4.4
107.08601	5.9
109.02865	3.4
109.06518	20.0
111.04458	3.2
115.05471	2.7
117.07015	3.8
119.04951	2.8
121.06524	9.3
123.08070	10.1
127.03931	34.4
127.07583	2.5
128.04274	6.3
129.04410	9.5
129.05478	7.4
129.10228	2.6
133.06520	22.0
135.04404	3.7
135.08054	6.2
137.05986	20.7
138.06372	2.5
139.07597	3.1
143.03394	2.5
145.05025	2.6
149.06001	25.0
151.07538	17.1
153.09114	14.3
161.04530	2.8
161.05969	19.6
169.08635	3.2
179.07048	49.5
191.41853	2.1
197.08113	100.0
211.05975	3.4
215.09172	45.3
223.99890	1.8
254.36020	2.2
343.10223	7.5
377.08463	13.3
377.13306	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	377.1457
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
50.24357	0.3
50.91201	0.4
53.03942	1.5
55.01866	0.6
55.05512	1.9
57.03443	6.7
59.05000	0.9
61.02936	3.4
69.03432	12.1
69.07075	2.4
71.01003	0.3
71.01346	2.0
71.05003	2.9
71.43052	0.4
71.43360	0.3
72.08160	8.0
73.02911	2.1
75.04478	2.0
81.03435	3.3
84.88985	0.4
84.94924	0.3
98.06072	2.3
99.04447	4.9
116.07083	1.0
117.05463	1.0
118.06528	1.6
118.08656	1.5
119.07346	1.8
126.09158	0.6
136.05167	0.4
136.92944	0.4
137.06007	0.6
145.07590	1.7
157.06345	0.7
157.07578	0.5
164.07077	36.2
170.07156	1.0
172.08702	27.6
174.10364	0.4
186.10219	0.7
190.09775	1.1
198.06627	6.4
200.08194	4.9
207.00380	0.4
214.09825	0.6
216.07704	14.6
243.08791	63.9
244.07182	1.1
244.09378	0.4
316.12949	0.7
331.20114	1.0
359.13541	3.2
377.14554	100.0
377.20633	31.8
378.14978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	15.4
55.01868	8.0
55.05515	22.8
57.03426	2.7
59.44976	2.6
65.03934	9.0
67.05508	15.7
69.03434	15.8
69.07066	12.1
69.59892	16.6
71.04983	11.9
73.92068	2.1
79.05071	3.4
79.05497	42.5
81.03422	57.7
81.07059	51.8
83.04984	100.0
85.02890	4.8
85.06527	2.4
91.05488	24.2
93.03393	5.1
93.07048	18.6
95.04973	28.7
95.08633	7.4
97.02907	27.3
97.06556	17.7
98.20761	3.9
99.04458	22.6
103.05481	3.4
104.15605	2.6
105.07037	50.8
107.04964	63.8
107.08611	12.7
108.05593	2.1
109.02885	88.6
109.06538	29.8
109.10098	2.3
110.78974	2.4
111.04439	23.7
113.06046	4.1
115.05457	4.8
117.07034	16.6
119.04947	10.4
119.08606	25.9
121.06516	21.7
121.10088	5.7
123.04425	8.9
123.08074	3.0
125.02339	5.2
125.06013	18.4
127.03920	12.2
128.06197	8.8
129.07021	13.3
130.07767	4.5
131.04919	3.2
131.08574	22.6
133.06493	11.6
133.10144	35.4
135.04407	21.1
135.08070	5.9
135.11716	4.5
137.05977	15.2
138.06297	3.7
141.06953	2.9
142.07785	11.5
143.07013	9.1
143.08569	33.2
144.09315	4.2
145.06470	10.6
145.10127	45.7
146.07169	2.4
147.08055	14.1
147.11699	6.1
149.05954	5.3
149.09590	5.3
151.03960	4.3
151.07520	6.5
153.05464	15.7
153.06749	4.1
155.08553	6.2
157.06465	4.0
157.10146	31.0
158.07169	3.4
159.06711	4.0
159.08061	16.4
159.11688	22.6
161.05960	6.6
161.09627	28.3
163.07550	4.9
163.11227	11.8
169.10123	7.8
171.08072	11.2
171.11736	4.3
172.08929	2.2
173.05927	3.4
173.09627	34.5
175.07545	7.3
175.11208	15.9
177.09117	5.1
179.10669	25.4
181.10135	3.3
182.07263	2.5
183.08052	5.8
185.09584	17.5
187.07603	6.6
187.11182	41.8
189.09099	19.3
189.12762	2.9
191.10669	8.4
197.09616	5.1
197.13184	2.9
199.07538	4.1
199.11198	4.4
201.09068	7.7
203.07143	3.3
203.10678	47.5
205.12187	19.3
207.10164	8.4
209.11714	8.6
211.07555	2.5
211.11096	3.8
213.09076	14.9
215.10677	30.9
216.70181	2.3
217.08565	3.0
217.12323	3.3
219.10007	4.1
221.11702	22.5
225.12770	3.8
227.10570	5.1
231.10120	24.8
233.08162	2.6
233.11707	14.3
235.09547	3.5
241.12112	4.1
245.08090	3.9
249.11218	31.9
251.12729	4.7
253.12131	7.3
257.11774	2.6
257.35379	2.5
259.09549	4.7
261.11273	2.9
267.09647	4.3
267.12234	47.2
268.12958	6.6
269.11746	2.9
287.12894	3.6
289.14484	5.7
295.13214	7.8
299.12738	7.5
305.11423	3.5
311.12601	3.6
313.14252	7.1
317.13873	7.6
323.12799	8.3
331.15439	7.7
341.13882	14.8
347.14984	5.7
359.14911	17.4
377.15982	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	377.1958
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
55.01857	1.7
55.05499	7.5
58.64215	1.6
67.05482	7.0
69.03443	2.5
69.07050	4.8
69.43237	3.0
69.43637	11.8
71.04990	2.9
79.05480	6.5
80.50253	1.7
81.07056	20.2
83.08614	4.1
85.02889	3.4
85.06541	2.5
91.05490	10.9
93.07030	6.5
94.04175	3.4
95.04947	2.2
95.08607	25.4
97.06528	5.8
97.10155	3.0
99.08072	2.6
103.05505	2.7
105.07067	10.5
107.04942	6.5
107.08560	3.7
108.05736	2.9
109.10122	3.2
117.07088	3.6
119.08578	14.1
121.06505	6.1
121.10125	4.9
122.03643	10.0
123.04433	5.1
123.08090	1.6
128.06204	2.3
129.33997	1.6
131.04910	4.9
131.08656	2.1
133.06496	21.5
133.10117	7.6
135.04425	2.8
135.11696	3.5
136.05171	5.0
137.05981	100.0
137.13269	5.5
145.06505	3.0
146.07222	5.3
147.08037	9.5
151.07545	80.9
152.07893	2.6
157.06444	2.9
157.40984	2.1
161.13249	29.0
163.07565	11.4
165.09125	7.8
171.08087	2.8
174.06815	2.5
175.07608	4.0
176.08153	1.7
177.09120	27.3
179.14336	29.7
188.08209	1.9
189.09146	4.6
191.10710	3.5
195.32642	1.5
197.15392	5.6
198.87082	1.6
203.10667	6.7
217.12314	2.4
309.14923	3.8
320.33505	1.8
326.14984	8.4
341.17535	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	378.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01865	3.2
57.03420	1.9
59.04982	2.5
61.02914	2.8
63.94139	1.3
67.05492	3.9
69.03419	3.4
70.06615	1.7
71.01349	3.5
71.51337	1.1
71.51701	1.4
72.08165	1.1
73.02569	1.9
73.02928	21.6
75.04463	2.4
79.05501	8.9
79.54805	1.0
81.03393	1.7
81.07061	19.5
83.01344	7.4
83.04996	3.3
84.04496	3.5
84.08165	2.2
85.02896	4.9
87.04473	16.7
89.02416	1.4
91.05480	2.1
93.07028	2.7
95.04991	6.3
97.02915	2.9
101.02385	96.1
103.03925	3.9
105.06988	2.1
107.04925	4.0
109.05812	2.2
109.06526	38.5
111.00828	9.1
112.07630	1.6
115.03912	2.9
121.06485	2.3
123.04398	2.9
127.03941	2.6
128.04245	2.2
129.01768	2.0
133.04977	7.1
133.06503	1.9
135.04437	2.9
135.08092	1.3
137.05986	94.8
143.03407	18.2
149.05959	2.4
150.09138	10.8
153.05449	4.3
155.07013	3.5
161.03136	1.4
161.04474	24.1
161.54558	1.1
163.07512	1.7
163.36613	1.4
164.07060	5.8
179.06918	2.2
180.07332	2.3
181.08601	7.9
189.03870	1.6
197.08073	3.9
198.08434	6.1
215.09157	1.3
216.09418	2.2
343.10260	100.0
344.10541	2.3
365.05222	1.4
378.02188	2.1
378.09598	1.2
378.13968	4.8
378.20105	17.0
383.58670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	3.8
69.03436	8.6
70.06599	6.9
70.62103	3.7
70.62466	7.6
79.05514	6.1
81.03431	5.6
84.08180	4.8
85.02899	24.9
87.00832	6.3
91.05522	4.6
93.07055	10.7
95.79926	2.8
96.37100	3.0
97.02889	8.1
105.01866	4.9
109.02850	6.0
112.07632	8.0
114.37588	2.9
116.07114	4.5
121.06499	15.6
123.08083	6.6
127.03928	38.1
128.04262	22.8
129.04391	9.1
130.04715	5.1
130.08647	6.1
137.05991	100.0
139.07524	13.5
149.06023	5.8
163.03937	15.3
163.07507	3.9
164.04242	3.3
167.07059	78.2
181.08604	30.5
194.71582	3.0
199.09677	57.3
303.31094	3.2
378.08765	17.6
378.19394	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	378.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
56.96587	0.4
57.03416	0.4
69.03432	1.4
70.23480	0.4
71.48002	0.6
72.08154	1.6
74.02451	0.3
79.05488	0.4
81.03405	0.5
81.07079	0.3
83.05005	0.4
84.08160	0.4
85.02924	4.8
91.05479	0.8
94.04192	0.7
97.02904	1.8
98.97601	1.1
103.05466	0.5
107.04958	0.9
109.02921	0.7
109.06497	0.5
116.98678	0.5
119.04947	0.8
122.03663	2.1
127.03902	0.9
131.04932	0.9
137.05992	100.0
138.06317	1.5
140.35696	0.4
141.08995	0.3
147.04428	0.7
151.07581	0.7
163.03871	1.0
163.07559	2.9
164.07054	3.6
165.05473	0.9
169.72301	0.3
175.07538	0.9
179.07014	0.4
181.08609	12.3
187.19804	0.3
198.42282	0.4
205.08653	0.8
219.01962	0.4
235.90086	0.4
265.10684	0.4
275.13977	0.7
319.12714	0.4
361.14105	0.4
365.05508	0.6
370.10425	0.4
378.12103	0.7
378.16278	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	378.1915
Annotation	Stephasunoline
Peak:m/z	Relative Intensity
63.51777	0.3
67.05490	0.8
69.03442	0.4
69.61251	1.6
70.73464	0.3
72.04524	13.6
74.06059	0.4
79.05491	1.3
81.07059	1.2
91.05486	0.8
93.07036	0.8
94.02977	0.3
95.04993	0.4
100.07650	0.3
105.07025	1.0
107.04933	0.3
107.08600	0.5
109.06541	0.3
111.04364	0.4
117.07047	0.7
119.08599	1.2
120.08083	0.6
121.10182	0.4
123.04449	0.3
129.07004	0.6
129.27567	0.3
129.53809	0.3
131.08586	1.3
132.08130	0.5
133.10124	0.4
134.09619	0.5
135.08083	0.5
138.09137	0.4
141.06989	0.3
147.07968	0.4
148.07584	0.3
155.84743	0.3
159.08029	0.3
162.09183	0.4
164.07033	0.3
164.10826	0.6
167.08635	0.4
169.10101	0.7
171.11720	0.4
175.07635	0.3
176.07050	0.4
176.10718	0.6
177.07799	1.4
178.08673	0.6
181.10147	0.4
187.14876	0.7
188.10698	0.9
188.43933	0.3
190.08522	0.4
190.12331	0.8
195.11662	0.3
197.13312	1.7
207.11713	0.8
208.09682	1.5
215.14328	2.4
216.10152	0.3
218.11702	0.3
221.10469	0.6
222.11261	2.2
224.14407	0.5
225.12816	1.0
238.10774	0.8
240.12228	0.5
243.13838	1.0
253.12318	0.4
261.14886	4.6
270.14987	1.3
270.51096	0.3
271.13297	0.5
286.14368	0.4
286.18039	0.6
288.15985	0.3
289.14371	0.8
292.15390	0.4
304.15482	8.2
304.18723	0.3
314.17587	1.2
316.15466	1.1
316.19199	0.7
330.16968	0.7
332.14932	6.0
332.18628	4.4
342.17020	1.1
360.18097	20.0
361.18515	0.6
371.91275	0.3
378.19144	100.0
379.19608	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	379.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91851	1.0
53.03939	3.7
55.01867	3.3
55.05503	1.4
56.05025	5.0
57.03424	4.1
58.06586	1.2
61.02914	4.4
68.99766	1.3
69.03090	2.1
69.03432	29.9
69.07079	6.0
69.51650	7.9
70.06582	2.8
71.04980	3.8
72.08156	1.4
73.02908	3.2
74.06078	6.7
75.36034	1.3
79.05475	1.8
81.03432	13.6
84.04490	1.9
84.08144	2.1
85.02910	71.9
87.00317	2.3
87.00836	38.1
90.72453	1.2
92.91007	1.1
95.04980	2.0
97.02898	25.2
97.06519	2.2
99.04442	9.0
102.05546	3.6
103.03951	1.3
105.01871	48.4
105.02582	2.8
107.04916	1.6
109.02887	16.9
110.06117	1.1
115.04002	1.2
116.07179	1.0
118.06540	5.1
119.07346	4.0
120.06573	3.2
121.06523	1.3
123.42960	1.2
125.06002	1.1
127.03922	46.4
129.01852	1.9
129.04407	1.1
130.05009	1.7
131.07056	1.9
133.02855	2.0
135.04405	2.2
136.07535	1.1
137.05972	4.7
141.26001	1.1
145.04984	19.0
147.04411	1.5
150.09145	2.6
159.02916	4.6
163.03932	5.8
164.07080	96.4
165.05457	1.4
168.07504	1.9
183.06589	2.5
190.05884	1.1
190.08765	1.5
191.03131	1.1
194.08177	5.1
199.09790	1.2
200.09973	1.6
213.03964	1.6
231.05009	9.0
249.06207	2.4
317.18674	1.6
333.14459	3.0
333.18460	2.0
335.16016	2.8
361.18207	1.6
364.33218	1.2
379.14954	8.4
379.18845	100.0
380.19128	1.3
403.17578	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.7
55.05512	3.2
59.09012	1.3
62.10522	1.3
67.05514	10.1
67.50030	1.4
69.03426	3.5
69.07065	1.5
70.06596	2.9
71.05012	3.0
79.05493	8.4
79.29126	1.4
81.03420	5.1
81.07055	11.6
83.04994	7.4
84.08140	1.8
85.02914	10.3
86.09723	1.8
87.04467	1.4
91.05470	8.8
91.42719	1.3
92.30162	1.5
93.07053	9.4
95.04971	13.5
95.08614	37.2
97.02917	3.6
97.06528	5.3
98.16827	1.6
98.97562	1.9
105.07034	13.4
107.04999	2.4
107.08598	5.2
109.02882	17.8
109.06528	3.0
109.10167	5.9
111.08125	2.0
112.60927	1.3
117.07038	1.7
119.04993	1.7
119.08591	21.0
119.09390	2.2
121.10175	2.1
123.04412	3.3
123.08067	11.8
123.11676	2.2
125.09647	1.4
127.03928	33.2
127.07596	8.4
132.11111	1.5
133.06502	1.4
135.08084	3.2
136.07571	1.4
137.05960	1.9
137.09618	15.7
141.05499	3.3
141.09129	2.3
145.04961	1.9
147.04457	3.3
147.08061	5.1
147.11711	1.4
148.04742	1.9
151.07541	8.5
153.09128	1.8
155.07083	2.6
165.09126	78.7
169.08612	80.9
183.06604	11.3
183.10179	25.4
183.86078	1.5
201.11234	100.0
380.20682	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	380.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.0
57.03416	1.0
58.12682	0.7
67.05507	5.3
69.03426	1.9
69.07064	2.9
69.27556	1.5
69.27954	4.7
71.04994	2.1
71.52900	0.6
79.05482	2.1
81.07055	27.4
83.08620	8.0
85.02908	5.1
85.06545	2.2
87.74400	0.7
91.05476	1.5
93.07044	3.8
95.08607	7.6
97.02875	1.4
97.06535	0.8
97.75386	0.8
105.07033	12.4
107.08588	4.6
109.06530	1.5
113.05994	1.3
119.08574	2.9
121.10148	11.1
123.11710	100.0
124.12047	1.4
127.03933	0.8
127.07533	0.8
130.20340	0.7
137.13243	4.9
147.11696	37.1
152.05666	0.9
165.12758	44.7
177.05441	1.2
183.13809	48.5
187.77678	0.7
191.09467	0.8
201.14861	27.3
230.46796	0.7
243.99159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05475	5.9
70.04511	4.3
70.70046	13.1
74.09694	7.6
76.19144	3.3
79.05502	8.2
81.07031	9.0
86.79326	3.4
91.05475	6.4
93.07063	17.6
95.08609	4.3
105.07040	4.6
107.08601	23.9
113.00346	4.2
116.74925	3.5
117.06919	3.8
119.08570	12.2
121.10162	100.0
135.08090	17.9
145.60182	3.8
163.07547	63.8
181.08588	30.0
194.04567	3.9
199.09785	8.2
317.20938	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	381.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01265	1.9
56.96559	3.8
61.43980	1.9
67.70046	1.9
77.06794	2.1
85.02941	2.7
92.69883	2.0
98.97576	12.2
105.70383	2.1
110.69612	1.8
110.97569	3.2
128.98573	2.5
131.01894	2.4
143.00166	3.6
158.99590	2.9
170.99736	3.7
177.00520	2.0
182.99670	2.1
189.00787	2.1
201.01033	2.4
219.02560	3.7
237.02742	5.3
261.02795	4.1
279.03961	2.9
307.55029	2.1
370.83331	2.0
381.07938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36389	2.4
56.91988	2.0
58.76793	1.8
69.41415	12.7
69.41827	3.6
77.90980	2.3
84.57175	2.3
96.54372	2.2
145.87688	2.1
146.65079	1.8
237.02827	5.7
255.03885	3.7
261.10114	2.2
381.07947	100.0
382.08090	2.8
389.26968	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	382.1709
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
57.03423	0.9
57.07074	1.8
59.04992	2.5
67.05492	2.1
69.03408	1.0
69.07050	3.2
70.02931	1.4
70.51802	2.4
72.04528	6.7
72.10522	0.8
73.02925	1.7
74.02422	1.1
82.40485	0.8
83.05025	1.2
85.02904	4.6
85.06559	4.0
86.09702	1.1
87.08105	1.2
88.07628	1.7
90.05563	52.4
93.07056	1.2
95.04967	3.9
95.08607	0.8
97.02866	1.8
98.02427	7.8
99.08089	2.6
100.03952	1.0
103.07576	3.9
113.05998	1.6
116.03461	6.8
124.07575	7.4
142.08612	4.4
160.09679	1.7
164.00290	0.8
166.08627	1.8
174.11241	1.9
184.09698	9.7
202.10765	15.9
220.11823	100.0
254.80009	0.8
343.42810	0.9
366.42270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1717
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
51.09312	0.6
53.03957	1.7
55.01867	0.7
57.03431	1.7
61.02920	1.3
64.47820	0.7
64.77468	0.8
67.05502	2.5
69.03432	3.5
69.07074	1.6
70.06618	1.0
71.04986	0.7
72.08144	1.5
73.02914	1.2
79.05493	3.0
81.03422	2.1
81.07053	2.1
84.08129	1.7
85.02915	9.3
86.09732	0.7
87.00827	2.9
91.05495	2.1
93.07053	6.6
95.08611	6.7
97.02889	3.8
99.08101	14.1
105.01871	4.4
105.07009	0.9
107.08587	1.5
109.02876	2.5
109.06515	1.3
111.08086	1.4
117.09136	2.9
121.10134	3.1
123.08082	1.6
125.09602	1.1
127.03918	4.2
131.08580	1.7
136.06195	100.0
137.04723	0.7
137.09691	1.0
139.11212	1.6
145.05009	2.0
148.06178	2.2
149.09595	3.4
150.14072	0.6
152.13647	0.7
159.06700	1.5
163.03918	2.2
164.07104	2.4
167.10710	2.6
169.34816	0.7
174.12834	1.0
185.08263	5.9
185.11745	34.2
202.10886	7.9
203.12706	1.7
208.09724	1.1
220.11946	93.7
230.29344	0.7
246.28435	0.7
249.06096	0.8
275.02515	0.7
350.63583	0.7
382.17194	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	382.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43616	17.4
63.04276	17.1
70.84202	14.3
71.06933	12.9
71.52216	18.2
74.39980	13.6
81.07043	28.3
85.15552	15.0
93.07044	38.4
104.69814	12.9
105.06989	15.2
109.10136	26.3
119.08599	27.9
121.10138	100.0
139.04321	12.6
163.57265	17.4
165.09149	31.9
168.89888	16.1
179.59157	13.9
301.21637	21.5
345.55865	15.7
355.02777	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	382.999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98663	0.4
56.96301	0.4
56.96569	6.5
69.44627	1.6
69.45038	0.5
71.95272	1.8
74.78400	0.2
74.96906	0.2
85.71835	0.2
94.46819	0.3
98.97592	100.0
99.97949	0.6
116.98630	40.5
134.99667	8.7
140.00218	1.1
153.00693	0.5
174.97635	0.6
181.97343	0.3
189.00320	0.5
207.01387	0.5
216.98647	1.7
217.99008	0.5
234.99797	1.7
235.99997	0.6
240.98685	5.0
243.03630	0.3
243.67665	0.3
256.96481	0.3
257.96738	0.7
258.99783	68.7
259.99927	1.3
261.02991	0.6
274.97574	1.3
275.97803	0.4
277.00836	67.9
278.01074	1.7
279.01093	0.4
282.01385	1.0
282.99963	1.0
284.00116	0.3
292.98599	0.7
295.01843	0.4
298.97681	0.7
299.97919	1.1
300.02325	1.4
301.01019	0.7
303.00958	0.3
316.98956	0.6
317.98950	1.6
330.02344	0.3
340.98483	0.3
341.98822	1.6
359.00165	0.5
360.00043	2.0
362.04865	0.4
378.17651	0.7
382.99762	1.9
401.00995	7.6
402.01035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79556	0.4
57.03435	0.5
61.02930	0.5
67.05502	0.7
69.03431	1.3
69.55466	2.0
70.06590	2.3
71.04990	0.9
72.08141	0.7
73.02903	0.8
79.05505	0.8
81.03429	0.9
83.59232	0.4
84.08148	0.8
85.02922	2.3
85.06538	1.4
91.05490	0.9
93.07030	0.8
95.08637	0.5
97.02897	1.1
99.04478	0.8
99.08115	1.2
100.08432	0.5
105.07031	0.5
107.08641	0.6
109.02840	0.6
115.03920	0.6
119.08636	0.4
121.10194	0.6
121.68929	0.4
127.03926	1.1
129.10281	0.7
134.66368	0.4
135.04396	0.4
136.06187	1.7
137.05907	0.7
145.04970	0.7
145.10089	0.4
147.04419	0.5
160.77731	0.4
163.03908	1.3
164.07016	0.6
165.05542	0.5
168.11076	0.6
181.05016	0.7
185.11713	0.9
185.15352	1.3
186.12053	1.1
203.14357	1.2
203.16399	0.4
207.06607	0.4
213.03978	0.4
221.07884	0.8
221.12146	1.6
221.17511	0.5
222.13513	1.0
328.99762	0.4
347.09818	0.5
383.13159	100.0
384.13370	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	383.1491
Annotation	Octahydroeuclein
Peak:m/z	Relative Intensity
51.02411	0.3
55.05516	0.4
66.04722	0.3
67.05495	0.6
69.01555	0.2
69.03410	0.4
74.74414	0.3
79.05504	1.0
81.03436	0.4
81.07053	0.9
83.05028	0.3
85.02941	0.3
91.05491	1.9
93.06995	0.6
94.04202	2.8
95.04971	0.5
95.08613	0.6
97.06530	0.3
98.21638	0.4
103.05466	4.7
105.03341	0.3
105.07040	1.1
107.04954	0.7
107.08575	0.3
109.06475	0.5
109.10120	0.3
115.05466	0.3
116.06287	0.3
118.04169	1.1
119.04974	0.4
119.08609	0.3
122.03656	7.5
126.71407	0.3
128.06229	0.9
129.07005	1.0
131.04930	11.2
131.08603	0.5
135.08029	0.4
137.05980	100.0
138.06319	1.0
142.09831	0.2
143.05054	0.3
143.08562	0.5
144.05698	0.7
145.06479	0.7
145.10217	0.3
146.03632	0.6
147.04443	0.6
147.07985	0.4
149.05997	0.6
151.03918	1.6
151.07555	1.1
156.05701	0.3
157.06503	0.3
157.10144	0.3
159.04446	0.8
159.08076	3.2
160.05190	0.7
161.05981	26.7
162.06290	0.3
163.07549	5.4
165.05437	0.4
172.05247	0.3
173.05960	0.3
173.09644	0.7
174.06760	0.3
175.07561	3.6
177.05458	0.5
185.09576	0.4
186.06656	0.3
187.07545	13.1
189.05505	0.8
189.09044	0.4
191.07007	0.5
198.06769	0.6
199.07561	0.8
201.05478	1.7
201.07442	0.3
201.09125	2.5
202.06245	0.5
203.07063	1.1
213.09064	1.0
215.07158	0.5
217.14679	0.2
222.34818	0.2
227.07039	0.4
229.08540	2.6
241.08629	1.0
247.09682	7.6
255.08105	0.4
256.09058	0.3
272.08295	0.3
273.09091	0.6
284.08249	0.4
287.10687	1.2
300.07550	0.4
301.08658	0.8
304.10938	0.3
305.11752	0.7
315.10202	2.7
316.10760	0.7
319.13315	0.7
329.11710	0.6
332.10471	0.5
333.11188	0.9
334.70715	0.3
347.12827	6.2
351.12177	0.4
365.13870	11.9
365.26639	0.3
383.10474	0.4
383.14941	5.2
383.27740	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.2
55.01877	11.5
55.05509	9.1
57.03428	8.3
57.07066	5.5
59.05000	1.5
61.02914	4.7
63.20641	1.7
65.03928	3.5
67.05506	18.7
68.99790	7.2
69.03432	47.8
69.07060	5.7
71.01344	2.9
71.05012	9.2
71.53005	2.5
73.02914	6.8
77.03898	1.5
79.05498	27.0
81.03422	35.5
81.06590	3.0
81.07056	43.1
83.04987	11.4
85.02907	43.8
87.00824	25.8
87.04499	1.8
91.03944	2.0
91.05480	33.4
93.07046	100.0
95.04980	20.2
95.08611	30.0
97.02894	24.7
97.06535	5.7
99.04453	8.5
103.03926	7.4
103.05493	2.9
105.01880	7.2
105.04539	1.7
105.07032	57.5
107.04978	7.8
107.08600	83.2
109.02883	14.4
109.06538	13.0
109.10157	20.4
111.04443	13.2
111.08087	3.6
115.03947	7.2
116.06219	1.5
117.01849	3.5
117.07032	12.7
118.02761	1.6
119.04961	1.5
119.06078	1.7
119.08596	32.0
121.06504	12.5
121.10147	32.2
123.04443	11.6
123.08055	7.4
123.11701	9.6
125.02400	1.7
125.06004	4.9
127.03928	20.7
128.06219	3.4
129.01837	8.0
129.05504	2.2
129.07001	5.5
130.07822	2.7
131.08565	19.6
133.06537	7.7
133.10138	29.1
135.04398	2.3
135.08058	9.2
135.10704	3.1
135.11699	48.6
137.05991	8.7
137.09651	5.7
137.13260	5.9
139.03931	1.9
139.07567	2.6
141.06998	2.1
142.07809	5.7
143.08580	12.9
144.09323	1.7
145.04930	3.7
145.06491	3.9
145.10127	22.0
147.02916	3.8
147.08069	7.1
147.11702	30.4
149.05988	4.9
149.09604	6.0
149.13274	6.9
151.07553	4.4
151.11221	7.4
153.12775	2.0
155.08588	6.0
156.09340	5.0
157.10136	10.2
159.02927	8.0
159.08064	7.4
159.11705	19.2
161.06009	3.2
161.09645	6.7
161.13286	6.2
163.07538	3.3
163.11200	26.1
165.05469	5.4
165.09122	1.8
165.12730	23.1
167.07031	2.3
169.10101	3.6
171.02971	2.6
171.08101	1.8
171.11676	6.9
173.09656	6.9
173.13264	5.6
175.07513	2.2
175.11217	13.0
175.14880	2.6
177.09183	1.9
177.12721	18.5
179.10686	2.0
181.10121	2.5
183.08052	2.5
183.11679	6.2
185.09633	5.5
187.07576	2.7
187.11191	5.7
187.14795	3.5
189.03964	5.4
189.09132	2.2
189.12813	11.0
191.10600	2.3
191.14380	2.3
193.12241	10.3
195.11755	2.1
197.13284	5.6
199.07553	4.8
199.11195	3.6
201.03958	5.5
201.11098	1.6
201.12639	7.4
203.10744	2.2
203.14330	5.4
205.12254	5.0
207.13763	3.4
215.14345	10.1
217.12178	4.4
219.13823	8.3
221.11740	2.4
225.12762	7.3
231.05067	4.2
231.13840	4.9
233.15370	6.6
237.14804	2.2
243.13802	28.9
261.14850	48.8
279.15887	10.7
285.10083	2.0
297.16983	2.3
321.16953	3.8
347.14932	21.2
365.15991	25.7
383.17072	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	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03944	6.4
53.19784	2.5
55.05513	13.5
56.87706	2.6
57.07079	8.9
59.05001	4.5
67.05511	29.6
69.03439	17.4
69.07060	9.9
69.25010	10.8
69.25437	14.3
71.05000	6.8
79.05502	23.1
81.07059	35.0
83.04986	5.6
83.08622	7.6
85.06545	4.5
91.05475	36.5
93.07049	79.8
95.04970	27.7
95.08612	38.4
97.06519	13.9
97.18063	2.5
98.20763	5.3
102.10894	2.6
103.05481	3.2
105.07041	78.6
105.07702	5.7
107.04977	3.5
107.08606	40.3
109.06517	21.1
109.10167	17.6
111.08076	5.8
116.06229	2.8
117.07010	12.0
119.08586	49.1
121.06519	14.6
121.10159	41.4
122.69985	2.6
123.08102	23.2
123.11674	2.9
128.06219	7.9
129.07022	11.7
130.07814	5.1
131.08560	32.8
133.06517	10.0
133.07475	2.9
133.10141	33.2
135.08038	22.8
135.11688	6.9
137.05995	4.5
137.09634	8.4
142.07796	15.7
143.08571	19.6
144.09328	7.2
145.10130	37.0
147.08060	26.1
147.11710	15.5
148.08791	3.1
149.09627	21.7
151.07545	26.1
151.11143	3.9
153.09142	3.1
155.08609	8.3
156.09393	7.2
157.10133	44.5
158.10988	3.7
159.07985	5.4
159.11740	15.0
160.08844	3.3
161.09651	17.0
161.13289	10.1
163.11183	7.1
165.09125	27.7
168.09302	3.0
169.10155	7.4
170.10881	5.1
171.11707	7.3
173.09636	14.9
173.13272	11.1
175.11191	19.4
175.14859	9.6
177.09116	11.5
179.08580	4.9
181.10091	3.8
182.10953	3.4
183.11694	10.7
185.13318	14.5
187.11246	5.8
187.14848	6.4
189.12773	10.7
193.10172	3.2
195.11755	3.6
196.12624	3.1
197.13278	5.6
199.11284	3.6
201.12776	9.2
202.08174	3.1
203.14314	27.4
207.11929	3.6
207.13857	11.1
208.12482	4.0
209.13438	6.3
209.15359	6.1
213.12611	6.3
213.16336	3.4
215.10738	3.4
215.14371	13.7
219.13951	5.1
221.13443	3.3
221.15372	62.1
221.17366	5.1
223.14673	3.1
227.14279	8.3
231.13889	4.1
233.15483	10.5
234.16251	10.7
237.14809	3.6
243.13840	4.6
263.57172	2.8
281.18954	6.7
286.19336	4.8
287.20203	7.5
299.19904	4.2
303.19647	7.9
347.23715	6.2
365.24792	16.8
383.25815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.7
55.05520	16.8
57.07066	15.4
59.04992	8.2
65.03933	4.4
67.05510	36.2
69.03431	14.4
69.07061	12.9
70.69977	4.2
70.70313	7.9
71.04985	10.0
76.01254	3.3
78.34486	2.9
79.05487	36.2
81.03420	4.5
81.07058	40.5
83.04972	6.5
83.08620	6.9
85.06531	7.8
87.96901	3.0
91.05484	55.8
92.94743	3.2
93.07053	99.1
95.04970	28.4
95.08619	41.6
97.06535	21.0
103.05457	4.0
105.07038	100.0
107.08597	53.3
109.06531	22.2
109.10172	22.8
111.08083	7.9
115.05435	5.9
117.07031	12.1
119.08600	75.8
121.06501	20.1
121.10157	54.9
123.08065	32.9
123.11680	7.1
128.06204	8.7
129.07007	13.0
130.07793	7.0
131.08577	35.5
133.06483	6.9
133.10138	43.1
135.08095	20.4
135.11659	11.0
137.09653	16.7
141.06981	11.1
142.07790	19.6
143.08556	31.1
144.09349	4.6
145.10130	38.3
146.07317	4.2
147.08060	22.0
147.11691	19.5
149.09601	24.7
149.28798	3.3
151.07535	35.4
155.08542	9.0
156.09384	7.8
157.10133	50.8
159.08098	8.5
159.11732	20.2
161.09641	27.6
161.13274	10.5
165.09123	37.6
169.10139	9.8
170.10796	4.4
171.11650	14.4
173.09613	7.6
173.13246	10.5
175.11209	25.6
175.14780	6.5
177.09085	14.9
178.09863	5.3
181.10172	5.2
183.11664	6.0
185.09720	3.6
185.13274	24.5
187.11256	6.0
187.14827	7.6
189.12726	11.9
189.16371	6.1
191.14337	5.8
195.11732	7.7
197.13271	11.0
201.12796	11.3
203.14374	22.3
207.13795	12.4
207.17479	12.9
209.13295	6.5
209.15318	5.6
211.14857	9.8
213.12761	6.8
213.16389	3.4
215.14386	9.6
216.15103	5.6
219.13779	8.0
221.13295	3.3
221.15375	93.0
227.14285	4.1
231.14059	4.0
233.15359	9.6
234.16109	15.6
251.11246	4.7
263.17941	4.2
269.12399	5.4
286.19327	8.0
287.20010	5.9
298.39655	3.8
299.20197	7.0
303.19534	12.3
347.23718	5.4
365.24582	12.4
365.28616	6.0
383.25766	94.3
383.29752	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03939	7.2
54.52045	2.4
55.05526	14.0
56.96557	4.1
57.07062	9.8
57.09573	2.1
59.04992	8.0
65.03942	3.2
67.05508	27.9
69.03442	15.2
69.03754	3.4
69.07059	9.7
70.70120	6.2
70.70475	2.1
70.98105	7.5
71.04973	6.4
79.05490	25.5
79.44651	2.4
81.06602	2.7
81.07061	37.3
83.04970	9.4
83.08613	6.2
85.06539	7.9
90.71886	2.6
91.05491	44.9
92.22329	2.1
93.07050	85.7
95.04976	21.3
95.08613	35.0
97.06521	14.8
105.07038	75.8
107.08601	47.2
109.06528	21.8
109.10160	22.3
111.08069	9.2
115.05443	3.1
117.07024	14.1
119.08595	60.0
121.06515	12.5
121.10151	37.4
123.08075	23.4
123.11674	3.8
127.76196	2.4
128.06226	8.7
129.06998	12.4
130.07768	3.9
131.08582	28.0
133.06519	7.2
133.10153	34.0
135.08057	20.0
135.11697	9.7
137.05908	2.6
137.09616	9.0
141.07027	3.4
142.07829	16.8
143.08559	22.4
144.09332	5.5
145.10133	39.1
146.07262	3.2
147.08087	19.8
147.11722	15.1
148.08772	3.6
149.09628	22.2
149.13187	2.8
151.07538	33.2
153.09113	3.7
155.08549	8.6
156.09322	7.8
157.10150	37.8
159.08026	8.1
159.11667	18.4
160.08914	4.2
161.09630	19.7
161.13254	9.7
163.11186	6.4
163.14784	2.3
165.06990	2.6
165.09120	36.5
167.08514	6.2
169.10162	8.1
170.10889	5.7
171.08183	2.6
171.11658	7.5
173.09673	11.5
173.13327	12.2
175.11212	20.2
175.14771	10.6
177.09126	9.6
181.10141	5.1
181.12146	3.9
183.11659	7.3
185.09749	3.1
185.13255	22.0
187.11177	4.7
187.14848	4.8
189.12752	10.0
191.17862	2.9
193.10172	3.1
195.11726	6.1
197.13261	6.9
199.11188	5.0
201.12726	8.4
203.14288	28.8
207.11818	2.9
207.13779	11.5
209.13293	3.0
209.15427	5.3
211.15016	4.9
213.12726	2.9
215.10715	2.3
215.14317	7.3
217.19513	2.3
219.13765	4.8
221.13446	3.6
221.15361	69.9
223.14903	2.7
225.12700	3.4
227.14412	5.9
229.15826	2.9
231.13795	5.2
233.15305	6.7
234.16139	11.7
237.14781	4.5
239.17772	2.4
243.13812	3.9
263.17899	3.0
265.15869	3.0
281.19119	3.8
286.19061	3.4
287.19995	12.9
299.19962	6.2
303.19495	9.0
309.18549	2.8
322.59299	4.3
323.09396	2.7
359.61020	11.2
360.10895	8.1
365.24808	13.1
383.11633	6.0
383.25769	100.0
383.33524	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	383.3312
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
53.03946	5.2
55.05516	19.2
55.77515	2.2
57.03432	1.9
57.07074	4.9
65.03960	2.8
67.05175	3.2
67.05511	35.7
69.07072	23.4
69.50906	13.9
71.05001	3.5
79.05496	17.8
80.89647	1.9
81.07069	64.5
83.08624	10.1
85.06552	22.0
91.05488	24.0
93.07053	65.8
95.04977	9.3
95.08618	92.3
97.06534	5.2
97.10182	5.9
98.97133	2.1
103.82001	2.0
105.07043	72.5
107.08609	72.4
109.06540	4.4
109.10170	68.2
111.08121	4.2
117.07020	5.0
119.08600	100.0
121.06570	2.4
121.10163	77.1
121.11047	3.8
123.08105	4.9
123.11710	16.2
125.09539	2.9
129.07031	4.4
131.08563	16.5
133.10147	55.9
134.79579	2.1
135.08063	4.2
135.11713	42.8
137.09634	2.5
137.13287	12.1
142.07796	3.0
143.08559	6.6
145.10133	26.7
147.11707	35.5
149.13278	49.8
151.07553	4.2
155.08553	2.6
157.10138	10.3
158.10992	2.0
159.11731	34.2
161.09621	2.4
161.13275	51.3
163.11127	2.8
163.14859	22.7
165.09184	3.8
165.12874	3.0
171.11694	7.1
173.13248	15.6
175.11339	2.8
175.14838	47.0
177.12813	2.1
177.16388	6.7
179.14378	4.6
183.11687	2.5
185.13287	6.9
187.14851	14.3
189.16411	22.6
191.14368	6.8
191.16208	3.4
191.17963	72.3
193.15877	6.1
199.14853	4.2
201.16429	10.7
203.14333	3.7
203.17953	22.1
205.16068	3.0
205.19563	7.4
211.14902	2.9
213.16373	4.5
215.18001	10.9
217.19533	16.3
221.15428	8.6
229.19583	7.9
231.21118	3.6
233.19031	3.4
241.19458	3.4
243.21138	4.0
247.20578	2.5
255.21169	4.3
257.22656	10.9
303.19586	2.3
365.32111	23.9
383.20432	11.1
383.25690	10.7
383.33136	97.7
384.33801	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	385.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01862	3.2
57.03417	1.2
61.02916	1.7
64.08080	0.9
66.10670	1.1
67.05498	1.1
69.03420	1.9
70.25265	2.3
70.25655	2.1
77.83039	1.1
79.05499	6.0
79.95330	0.8
81.03381	1.2
81.07031	1.2
83.01352	1.9
85.02909	7.6
89.03961	0.9
91.05475	4.2
95.01328	1.3
95.04969	4.3
97.02882	3.0
98.97561	1.1
103.05456	5.5
105.07039	55.9
106.07413	1.1
107.04967	2.3
115.05462	12.6
117.07014	3.5
118.04166	2.5
119.04952	2.0
123.04446	5.8
124.05216	1.1
127.03893	2.0
128.06250	1.2
129.07016	1.7
131.04919	4.3
132.05688	3.1
133.06502	53.8
137.05922	4.8
140.04688	2.2
143.03433	1.3
143.05031	1.8
143.06039	5.0
145.04945	1.0
145.06479	6.7
147.04411	3.0
147.08084	1.6
151.03894	2.7
155.07047	3.7
157.06476	1.7
160.05186	2.4
161.05997	100.0
162.06483	1.3
163.03873	2.7
163.07523	1.1
165.05415	2.8
167.07050	26.7
169.04977	1.1
171.04436	1.6
171.08147	1.0
172.05266	1.1
173.06029	4.8
175.03912	2.2
175.06131	1.6
175.07457	4.7
177.05428	1.5
178.06349	1.3
179.07051	2.3
181.04948	1.7
183.06497	3.4
185.05933	1.5
187.07608	1.4
189.05540	2.8
190.06270	2.9
191.07047	2.7
192.07803	2.1
193.08624	64.5
197.06070	2.0
199.07506	1.3
201.05487	5.8
203.07042	3.7
205.08609	4.9
206.09291	1.2
207.06552	6.5
207.10170	1.5
213.05400	1.1
217.08575	1.8
219.06532	5.3
220.07434	1.5
221.08113	4.5
223.09773	1.1
229.05003	2.5
231.06589	7.6
233.04507	4.8
233.08151	5.1
235.06017	1.3
235.09526	1.4
245.04465	1.2
245.08104	4.4
247.06023	2.1
249.07652	3.0
251.09172	24.8
260.06818	2.2
261.07623	13.0
263.09158	5.4
275.09137	4.8
277.07141	3.0
279.08514	1.7
281.10132	1.0
287.09183	1.3
289.07043	2.3
293.10165	3.2
305.10199	1.9
307.08209	7.4
319.08145	1.8
349.09140	1.5
367.10336	2.0
385.13016	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54183	1.5
53.03944	3.4
53.75940	1.4
55.01873	3.1
56.96567	100.0
57.03446	8.2
59.04966	1.4
59.16078	1.4
61.02932	9.5
65.03945	1.9
67.05509	4.5
69.03429	14.9
69.14156	13.2
69.14562	2.7
70.06575	4.8
70.98125	2.8
71.04976	2.2
71.95258	2.8
72.08150	14.9
73.02920	8.9
74.97604	7.3
77.44260	1.5
79.05071	2.3
79.05499	28.7
80.05836	4.0
81.03434	8.5
81.07056	12.5
83.04998	1.6
84.08169	3.4
84.96050	14.4
85.02906	39.6
86.03204	1.8
86.97596	3.6
87.04459	3.9
88.02205	3.9
89.03925	2.6
91.03929	2.5
91.05478	12.8
92.05821	1.7
93.07043	5.6
95.04961	5.2
95.08604	4.8
97.02898	22.0
97.99232	1.7
98.03272	1.9
98.97588	88.7
99.04453	3.7
99.97926	3.8
102.96939	2.3
103.05466	3.2
103.14828	2.0
105.00171	1.6
105.07015	6.0
107.04963	5.2
107.08594	17.9
108.08897	3.9
109.02888	5.7
109.06536	11.7
110.07098	2.1
110.97557	15.3
112.99132	3.6
114.97034	4.6
115.00695	1.6
115.02296	1.8
116.98626	29.5
117.03376	3.8
119.01786	3.8
119.04964	3.8
121.06492	8.6
122.06898	1.5
123.04423	1.8
123.08081	10.4
124.99129	5.3
127.00693	2.2
127.03945	10.6
128.98624	13.7
129.02237	5.4
131.00153	3.4
131.04999	1.6
132.98090	10.5
133.06546	2.0
134.02722	5.2
134.99680	6.1
135.04427	6.6
136.06172	10.1
137.05980	53.8
138.06354	3.4
139.00629	1.7
140.00243	2.0
140.98616	3.6
143.00153	13.7
143.10686	2.1
144.98097	3.6
145.02823	2.2
145.04962	5.1
146.99638	4.9
147.03275	15.0
147.04372	2.9
149.05984	6.2
150.09120	2.3
150.99158	18.7
152.98619	4.2
155.04623	3.8
155.07025	1.7
156.03564	1.9
158.99672	34.0
159.03326	3.1
160.03845	1.9
161.01266	9.0
161.02467	1.5
161.05971	1.8
162.99167	4.0
163.03929	21.6
163.05200	3.0
163.55400	1.9
164.07039	7.0
165.04335	3.6
166.08618	1.9
167.00195	3.1
167.07008	13.6
168.07434	3.0
169.00212	6.1
170.99611	9.5
171.03276	3.4
171.54695	1.5
172.05713	13.8
172.55864	4.6
173.01300	3.8
174.99222	2.0
176.98521	3.3
176.99269	1.8
177.00735	20.3
177.05473	7.9
178.03909	5.4
178.05719	1.9
179.00195	3.2
180.05414	2.1
180.55736	1.8
180.98128	3.3
181.01715	3.5
181.06287	8.2
181.56329	3.3
182.99681	2.3
185.01216	4.4
186.99191	2.4
187.02859	2.3
187.04391	47.0
187.06168	2.1
187.54558	5.7
189.00725	7.6
190.06723	3.8
191.03839	1.8
193.00223	1.9
193.01801	6.9
194.99670	9.6
196.04906	9.1
197.01244	5.2
197.04863	3.3
198.55211	1.8
198.99184	3.4
199.02826	3.2
199.99902	3.4
201.00723	5.9
203.02217	2.4
205.00175	2.7
205.03812	4.6
206.99661	4.6
209.01151	2.0
209.03416	1.5
210.08321	1.8
211.02806	39.7
213.00705	13.5
213.04266	1.6
215.02275	5.4
215.05843	2.0
217.07487	3.5
219.01740	19.6
220.02122	2.6
222.11255	4.6
223.01126	3.7
223.02956	3.5
223.05215	3.6
223.11588	9.6
223.55568	2.3
224.11395	2.7
225.00714	13.5
225.04340	2.4
226.56157	4.3
227.02391	2.1
227.06830	16.9
227.08920	3.3
227.56995	1.7
228.05757	5.9
229.03856	58.7
231.01797	4.2
235.02884	2.9
237.02765	23.7
237.09485	2.8
238.03174	2.8
239.02327	2.5
239.07491	3.0
241.03815	5.6
242.98341	1.9
243.01839	16.2
247.04939	3.7
247.07288	3.1
248.06300	2.8
248.99182	2.3
249.02774	9.9
252.05548	2.4
253.03822	9.8
253.09396	2.0
255.03825	3.0
257.03311	3.7
261.02750	3.7
261.07120	7.9
262.08951	2.2
265.03781	5.1
267.03906	3.9
268.07068	3.0
269.03354	8.5
270.07443	9.1
270.59378	1.7
271.04837	3.7
271.09390	6.4
277.08762	2.1
281.06937	1.8
283.04807	3.3
283.10141	3.1
285.60040	8.1
286.10025	3.4
287.04333	19.4
291.07813	2.3
294.10336	4.8
294.60574	17.8
295.04977	2.2
295.10648	2.9
295.58008	2.6
296.06876	2.5
296.10751	1.8
304.08200	3.6
307.04999	2.3
307.16412	3.5
309.08920	2.5
313.05939	2.2
325.06152	3.8
327.07510	14.3
346.06543	5.1
355.07059	9.2
361.11829	5.7
362.12064	3.4
366.62732	8.9
367.06763	3.6
367.12585	3.9
367.17935	2.3
373.08075	13.3
375.63312	25.3
376.13431	12.4
379.12753	4.4
380.13171	2.7
384.63431	3.7
385.08737	24.6
385.13300	14.4
385.16336	5.5
385.19778	11.5
386.16705	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	385.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60347	1.4
54.87102	1.3
59.96066	1.2
65.09311	1.4
66.04741	1.4
66.50076	1.5
67.05502	2.2
69.03418	2.0
69.19533	1.4
69.72500	6.9
79.05474	6.4
81.07032	1.6
91.05490	8.1
93.07007	2.7
95.04979	3.4
98.20811	1.7
103.05466	2.2
103.54476	1.4
105.07033	3.0
107.04311	1.6
107.04972	17.1
109.06522	1.6
115.05457	2.9
117.06956	1.7
119.04939	1.5
121.06493	2.0
122.03653	3.8
123.04388	2.1
124.05152	1.9
125.05974	1.5
128.06186	3.2
129.07018	9.2
131.04930	4.6
131.08588	7.9
132.05637	1.4
135.00273	1.3
135.04411	3.4
136.05232	8.1
137.05981	17.0
139.07495	2.5
141.06987	3.9
144.05693	4.7
145.06479	3.9
147.04379	2.3
149.05957	3.5
151.07553	74.9
153.05420	2.0
156.05678	9.3
157.06482	4.9
157.10027	1.6
158.07268	2.7
159.08057	12.8
161.05960	4.7
162.06570	1.8
163.03938	1.6
163.07545	3.1
165.05428	4.0
165.06862	1.9
165.09116	4.9
167.07050	38.6
169.06514	3.0
171.04404	1.8
172.08842	4.0
173.05936	4.1
174.06688	3.8
175.07474	2.8
176.08333	6.1
177.05463	3.4
177.09084	2.2
179.07050	8.9
181.04965	2.8
181.08571	4.3
182.07231	3.2
184.05157	2.5
186.06789	2.0
187.07552	8.2
188.08331	4.7
189.09138	7.3
191.07069	7.9
195.06474	2.4
195.08023	2.3
201.05489	4.3
201.09158	7.9
202.06241	4.9
203.06978	2.3
203.10640	5.7
205.06815	2.0
205.08665	4.5
207.06438	3.0
207.10132	8.1
209.05981	2.5
210.06773	2.8
211.07509	5.3
213.05486	2.3
215.07039	3.5
217.08609	28.8
218.07317	1.7
219.08218	2.6
219.10066	3.3
221.09616	2.4
222.06721	2.1
223.07559	3.7
225.09131	4.8
229.08583	2.1
231.08034	3.9
231.10179	6.1
232.08826	2.1
233.09587	4.1
234.06659	2.6
235.07478	3.8
236.08344	1.8
237.09070	1.7
238.06316	1.9
239.07008	5.9
240.07890	3.6
241.04999	2.2
241.08496	2.3
245.09615	3.1
247.07436	3.3
247.09592	16.9
248.08269	3.4
249.09073	8.3
251.07042	3.3
253.08618	28.7
255.06494	2.9
255.10190	5.9
256.07327	6.6
257.08057	2.0
259.07562	2.4
260.08359	3.7
261.09125	11.7
262.06235	1.8
262.09836	3.5
263.07043	3.2
263.10593	5.1
264.11465	3.0
265.08612	6.0
266.09366	11.9
267.06516	3.4
269.08139	6.8
270.08768	2.3
271.09625	8.8
274.09906	3.5
275.06985	2.7
275.10678	8.8
276.08157	2.6
276.11453	10.0
277.08603	11.4
277.11591	2.5
278.09305	3.6
279.06635	1.7
279.09787	1.6
280.10986	3.2
281.08133	1.9
283.09579	4.4
284.10394	6.2
285.07587	8.7
289.08517	3.0
291.10123	8.2
292.07504	1.6
292.10858	7.0
293.08035	4.7
293.11591	3.4
294.08856	5.0
295.09949	2.2
295.13187	2.7
297.11133	2.7
299.09143	80.6
300.09753	5.0
303.10056	5.3
304.10889	3.6
305.08145	3.4
305.11700	4.3
306.08978	2.3
306.12219	2.0
307.09692	4.2
307.13263	11.5
308.10406	3.3
309.11261	5.0
312.10052	3.0
314.11496	100.0
315.12201	16.4
320.10355	6.8
321.11060	8.9
323.12744	9.3
324.13702	1.7
325.10623	3.5
325.14304	3.1
327.12347	17.0
335.12756	27.7
336.13477	10.4
337.10684	5.7
339.12189	1.9
340.13107	8.9
341.13837	2.7
352.12958	7.1
353.09970	2.9
353.13821	9.9
355.15442	12.0
357.13199	2.5
357.17010	1.9
367.15433	41.2
385.12683	4.8
385.16693	33.3
395.97766	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	385.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	15.6
55.05501	21.5
57.03442	12.1
59.11039	5.0
65.03903	4.3
67.05501	21.3
68.99812	11.6
69.03093	5.9
69.03431	53.1
69.07076	43.0
69.56976	33.4
71.04997	9.1
73.02926	7.9
78.72896	4.9
79.05500	23.5
81.03418	23.4
81.07061	81.8
83.04975	16.0
83.08590	9.8
85.02917	52.4
85.06535	10.8
87.00825	25.6
91.05475	32.8
93.07043	71.7
95.04960	22.5
95.08614	49.7
97.02886	35.5
97.06531	21.2
98.20782	10.9
99.04446	7.1
99.08076	5.5
103.03962	6.2
105.01857	9.3
105.07040	80.1
107.04957	16.7
107.08588	42.2
109.06510	15.8
109.10139	10.6
111.04436	6.1
111.08079	12.1
111.11730	17.3
115.03946	12.4
117.07034	10.1
119.08587	45.9
121.06532	27.8
121.10123	33.2
123.04462	12.6
123.08060	8.1
123.11701	13.7
127.03915	11.0
128.06247	5.2
129.01869	7.4
129.07007	10.3
131.08543	13.2
133.06502	17.8
133.10133	16.9
135.08051	10.8
135.11688	21.9
137.06021	7.1
137.13258	9.0
139.11224	11.5
142.07762	5.4
143.08571	24.2
145.10136	19.2
147.02887	6.2
147.08041	9.8
147.11703	63.7
149.09627	10.9
149.13269	100.0
151.07532	28.5
153.12766	8.1
157.10094	12.4
159.02867	5.3
159.08145	7.4
159.11702	43.4
161.09653	8.8
161.13264	35.8
163.11191	12.2
163.48749	5.7
165.12779	26.0
167.07066	8.6
167.14285	6.1
171.08092	6.1
173.13264	18.0
175.11214	8.0
175.14775	8.6
177.12785	19.3
179.14342	16.7
183.11649	5.7
185.13223	15.5
189.03969	7.3
189.12747	12.5
191.14331	19.5
195.13779	6.7
199.14816	16.7
201.03854	8.0
201.12796	9.8
203.14319	21.9
207.13812	10.9
209.15367	7.0
217.15874	11.8
219.13818	8.6
227.14336	22.6
233.15358	8.7
245.15417	78.5
246.54169	6.4
263.16415	51.3
281.17520	10.2
349.16519	15.7
367.17685	27.0
385.18674	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	385.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	17.2
55.01862	18.8
55.05495	22.4
61.02901	9.1
67.05494	29.8
69.03432	60.2
69.07072	54.8
69.21243	60.0
69.21670	29.5
79.05466	35.1
81.03406	33.4
81.07050	96.9
83.04991	15.4
83.08607	13.3
85.02905	63.7
87.00829	24.3
91.05466	30.8
93.07051	71.3
95.04973	25.8
95.08588	50.0
97.02895	43.6
97.06554	10.8
99.04414	10.3
99.08050	9.7
105.07030	97.8
107.04963	24.6
107.08614	48.8
109.02855	10.2
109.06504	18.9
109.10157	20.4
111.04443	12.3
111.08099	13.8
111.11756	18.0
115.03951	10.9
115.05451	12.9
117.07030	12.9
119.08603	48.3
121.06493	31.0
121.10139	43.4
123.08112	16.4
123.11734	20.6
127.03935	13.3
128.06210	8.0
131.04897	9.4
131.08588	24.2
133.06462	17.4
133.10098	16.0
135.11652	19.6
137.05923	20.3
137.09662	11.9
137.13240	14.6
139.11194	12.2
143.08505	25.0
145.10065	21.5
147.08023	14.8
147.11679	67.4
149.05994	8.2
149.09581	11.7
149.13246	100.0
151.07524	40.0
157.10074	10.0
159.02820	8.1
159.11700	37.0
161.09673	11.9
161.13289	25.2
163.07426	9.2
163.11212	26.1
165.09126	13.7
165.12752	21.7
167.07004	25.5
171.11679	14.9
173.13356	12.1
177.12825	15.7
179.14236	23.0
185.13283	11.8
189.04033	10.7
189.12752	12.6
191.07083	9.3
191.14326	19.2
199.14749	18.6
201.12767	10.0
203.14342	24.5
204.20422	9.9
205.12271	16.5
207.13858	18.8
213.05698	9.9
217.15860	13.1
227.14322	31.0
245.15363	73.8
256.13321	8.5
263.16461	58.6
281.17502	15.0
349.16296	25.6
367.11694	9.0
367.17654	39.7
385.18546	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	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99284	1.6
53.03943	3.6
53.57189	1.4
55.01858	5.5
55.05521	12.1
57.07069	6.1
66.38969	1.6
67.05509	21.0
69.03428	8.1
69.07082	9.7
71.08643	11.1
71.52383	2.4
74.06856	1.4
79.05499	19.6
81.07064	27.3
83.04988	4.9
83.08615	4.0
85.06549	8.7
91.05489	20.2
93.07052	30.6
95.04974	9.8
95.08611	20.3
96.05740	2.4
97.02892	11.8
97.06538	10.2
99.04450	2.7
99.08119	8.3
103.05517	1.9
105.04522	1.8
105.07036	13.5
107.08614	13.1
108.05762	1.7
109.06526	18.2
109.10167	9.7
111.04443	14.7
111.08092	4.7
113.05995	5.0
117.06998	2.2
119.08587	10.8
121.06511	14.7
121.10143	12.8
123.04427	8.7
123.08076	7.2
123.11660	3.8
125.06010	4.5
129.07039	2.3
131.08575	14.3
133.06470	1.7
133.10123	5.0
135.08037	6.1
135.11650	2.1
137.05983	5.4
137.09593	4.0
137.13231	2.1
139.11191	2.7
143.08562	4.1
145.10097	4.6
147.08051	2.9
147.11699	3.9
149.09616	13.4
149.13284	2.6
151.07469	3.3
151.11148	3.8
155.08620	2.9
161.13275	6.0
161.16998	1.6
163.11201	6.4
165.12770	18.1
167.10715	5.1
171.11708	2.8
174.97984	1.7
175.11229	1.9
175.14809	1.9
177.09242	1.9
177.12766	2.0
179.10706	1.8
179.14346	2.2
181.12247	100.0
182.12523	1.9
183.08052	2.5
189.12714	3.7
191.14325	4.6
191.17931	3.6
199.07538	4.3
205.12349	2.6
207.13840	2.9
211.67543	1.7
213.12859	2.2
251.16197	2.0
261.22168	2.4
263.16312	2.0
277.21771	3.2
287.20016	2.5
289.21683	10.3
305.21078	20.6
311.16705	1.8
311.59567	1.5
349.24106	1.8
351.25327	69.3
352.25558	1.6
367.24963	2.8
385.23752	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	386.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63498	0.9
53.03934	1.0
55.01865	1.4
57.02041	0.8
57.03441	10.8
59.05000	1.1
60.04511	1.6
61.02937	7.1
67.84651	1.0
68.45503	1.0
69.03439	17.4
70.06605	5.4
71.01345	1.2
71.04996	2.0
71.51017	1.5
72.08144	1.5
73.02924	23.9
81.03408	3.4
84.08154	1.9
85.02913	48.2
86.09716	1.5
87.04465	3.9
89.03912	1.5
91.03956	2.4
91.05495	2.6
93.07050	1.2
97.02901	23.3
99.04472	3.1
103.03970	1.2
104.04976	1.5
105.07008	1.1
106.06564	40.0
107.05003	1.6
109.02884	3.7
115.03956	13.0
115.05479	1.0
117.03358	1.2
117.05769	2.6
118.61013	1.0
120.08106	1.6
123.04459	1.5
127.03909	13.4
130.06523	2.3
132.08105	100.0
133.04982	10.0
134.06018	1.9
135.04451	2.1
137.06020	1.5
145.04974	23.6
146.06038	1.2
147.04393	1.9
149.09663	1.4
150.07809	1.9
150.09120	14.4
160.07600	38.3
161.06010	1.2
162.63675	1.0
163.03995	5.5
163.06041	12.2
164.04234	6.4
167.07043	4.7
178.08656	53.9
196.09718	15.2
223.06071	1.0
224.09201	37.2
224.12564	7.7
225.14955	1.1
226.59325	1.0
237.13371	3.1
241.07185	2.0
259.08163	1.7
295.10275	3.1
386.13852	3.1
387.16232	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63498	0.9
53.03934	1.0
55.01865	1.4
57.02041	0.8
57.03441	10.8
59.05000	1.1
60.04511	1.6
61.02937	7.1
67.84651	1.0
68.45503	1.0
69.03439	17.4
70.06605	5.4
71.01345	1.2
71.04996	2.0
71.51017	1.5
72.08144	1.5
73.02924	23.9
81.03408	3.4
84.08154	1.9
85.02913	48.2
86.09716	1.5
87.04465	3.9
89.03912	1.5
91.03956	2.4
91.05495	2.6
93.07050	1.2
97.02901	23.3
99.04472	3.1
103.03970	1.2
104.04976	1.5
105.07008	1.1
106.06564	40.0
107.05003	1.6
109.02884	3.7
115.03956	13.0
115.05479	1.0
117.03358	1.2
117.05769	2.6
118.61013	1.0
120.08106	1.6
123.04459	1.5
127.03909	13.4
130.06523	2.3
132.08105	100.0
133.04982	10.0
134.06018	1.9
135.04451	2.1
137.06020	1.5
145.04974	23.6
146.06038	1.2
147.04393	1.9
149.09663	1.4
150.07809	1.9
150.09120	14.4
160.07600	38.3
161.06010	1.2
162.63675	1.0
163.03995	5.5
163.06041	12.2
164.04234	6.4
167.07043	4.7
178.08656	53.9
196.09718	15.2
223.06071	1.0
224.09201	37.2
224.12564	7.7
225.14955	1.1
226.59325	1.0
237.13371	3.1
241.07185	2.0
259.08163	1.7
295.10275	3.1
386.13852	3.1
387.16232	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
55.97882	0.5
57.03432	1.2
58.06590	1.5
61.02918	1.7
69.03436	4.6
70.49383	1.3
73.02924	1.0
77.03915	0.5
79.05482	1.1
79.94209	0.6
81.03414	2.7
84.08141	0.5
85.02910	12.7
87.04464	0.7
91.03944	0.8
91.05476	2.1
97.02889	4.7
99.04471	0.8
99.06808	0.6
103.05475	3.8
105.06330	0.6
105.07041	11.7
107.04946	2.2
109.02895	1.6
118.06544	4.0
120.08109	10.0
127.03927	2.1
128.06244	1.3
131.04921	2.3
131.07278	0.9
131.08565	0.6
132.08064	1.2
133.10124	0.5
143.08594	1.8
145.05002	1.5
147.04391	0.8
159.56804	0.5
160.11230	47.4
161.11549	0.6
163.03885	0.6
178.12282	49.4
206.11784	9.4
224.12827	100.0
225.13277	0.9
350.16071	1.1
386.14194	0.7
386.18201	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	386.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
57.03440	26.0
57.07092	1.2
60.04508	1.5
61.02933	12.4
69.03435	28.3
69.49434	2.2
69.49837	7.3
70.06590	3.6
71.01350	2.8
71.04999	2.2
72.08150	1.7
73.02921	54.9
81.03436	7.7
81.03876	1.2
81.49660	1.1
84.08138	1.5
85.02908	100.0
87.04462	2.9
90.79651	1.0
91.03943	6.3
97.02896	44.8
99.04451	3.8
103.03979	1.4
106.06555	7.5
107.08618	1.6
109.02882	10.3
115.03938	32.2
121.06512	2.7
127.03912	30.5
127.32085	1.3
132.08078	19.6
132.09023	1.5
133.04967	12.4
136.04735	1.4
137.05995	2.9
145.04964	58.0
150.07631	1.5
150.09142	2.0
160.07597	8.2
163.03995	6.2
163.06024	32.8
164.04260	3.8
167.07011	1.5
177.05319	1.3
178.08614	11.6
196.09703	2.7
207.13693	1.5
217.07208	1.3
223.06038	3.9
224.09172	6.8
224.12784	1.8
237.13319	10.1
241.07133	4.1
258.79205	1.3
259.08102	6.2
295.10242	5.1
364.35248	1.3
368.13095	3.5
386.14188	5.6
387.16071	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12738	1.3
55.01874	2.2
57.03440	35.8
61.02931	15.5
63.44985	1.1
69.03435	26.7
71.01343	2.4
71.04987	2.2
71.06037	2.2
73.02921	67.4
78.81314	1.3
81.03417	5.8
82.10614	1.3
85.02909	100.0
87.04452	2.9
91.03952	4.9
96.94943	1.1
97.02901	45.4
99.04460	4.7
109.02901	6.7
115.03938	35.7
127.03926	28.6
132.06572	2.0
133.04971	12.1
145.04967	62.7
150.07603	4.0
163.03963	2.1
163.06029	44.5
164.04256	1.5
167.07086	2.1
223.06003	2.7
237.13278	8.7
241.07094	4.5
249.92267	1.5
259.08044	4.3
279.12320	1.2
295.10223	3.7
302.42184	1.7
346.85022	1.2
384.24246	1.2
387.16653	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	386.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	13.2
56.05016	16.5
57.07064	34.8
64.09794	9.6
67.05490	14.7
69.07055	18.0
69.30674	63.7
69.31081	23.8
71.08607	20.2
73.88562	11.9
83.08640	27.2
84.04510	90.8
95.08614	29.3
99.18721	10.6
102.05550	26.6
109.10172	13.3
110.34113	11.9
129.91678	12.1
130.05043	87.0
137.13194	11.6
148.06053	100.0
179.14268	11.5
183.13719	15.8
224.37361	12.2
305.28531	16.0
323.29034	14.3
341.30557	13.3
386.29611	31.2
386.39856	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	386.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	85.1
69.07057	36.7
69.55692	19.8
71.08616	57.7
74.06084	23.8
75.28522	19.3
81.07069	35.6
83.08614	51.3
85.10187	45.1
86.42951	19.8
95.12461	19.6
97.10175	38.6
107.08574	22.6
109.10189	32.6
111.11722	30.6
117.84693	21.5
125.13203	24.1
157.88605	21.3
171.13689	21.5
179.14380	31.5
183.13857	56.0
193.15796	26.1
197.15457	40.2
305.28363	26.1
323.29245	100.0
386.39926	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	387.144
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
51.02393	0.3
54.29552	0.2
65.03941	0.8
66.04729	0.4
67.05509	0.3
69.03419	0.5
70.06577	0.4
70.48419	0.5
73.15187	0.2
73.47509	0.2
79.05507	0.8
81.03432	0.2
81.07047	0.5
85.02904	1.3
86.09698	0.3
88.29930	0.2
91.05512	1.0
93.03430	0.4
93.59142	0.2
94.04181	2.4
95.04975	0.3
97.02903	0.4
97.06554	0.3
103.05479	0.5
105.07066	0.4
107.04958	0.9
109.02926	0.3
109.06496	0.3
109.10189	0.2
110.03724	0.4
111.04440	0.3
115.05473	1.5
117.07032	1.5
117.80930	0.2
119.08554	0.3
121.10152	0.3
122.02759	0.4
122.03661	7.7
123.04469	0.5
123.08105	0.5
123.11713	0.2
125.06033	0.3
131.04922	0.5
131.08574	0.2
137.05989	100.0
138.03119	0.3
138.06329	0.7
142.02625	0.4
143.04930	2.9
145.06482	2.5
147.08057	0.4
147.11664	0.2
149.09641	1.0
151.03923	2.4
151.04996	0.3
151.07613	0.3
153.05507	0.7
155.06071	0.9
155.19559	0.2
160.05330	0.2
164.07286	0.2
167.07051	9.7
168.37491	0.2
171.04395	0.4
171.06557	0.4
173.06007	3.3
175.07571	1.1
179.07043	0.2
181.04971	12.5
189.12773	1.1
203.07021	1.5
205.08620	2.2
207.13867	2.2
221.08067	0.3
225.14882	1.5
233.08043	1.1
235.09656	2.0
357.13376	13.0
369.13245	0.3
381.00314	0.2
387.14413	35.4
388.14841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
50.94534	0.4
51.78042	0.3
53.66197	0.3
55.01863	0.7
65.03938	1.4
66.04721	0.5
67.05503	0.8
69.03431	0.4
79.05477	1.5
81.07055	0.4
85.02898	0.7
91.05479	1.5
93.03397	0.6
94.04189	2.4
95.04976	0.9
103.05460	4.5
105.07024	1.0
107.04948	1.8
108.02082	0.7
110.03666	0.4
115.05451	1.9
117.07025	1.6
118.04152	1.0
119.04942	0.7
122.03654	8.1
123.04435	0.9
124.05147	0.4
125.06031	0.4
130.04134	0.3
131.04939	3.9
133.02875	0.5
133.06491	1.0
133.41905	0.3
135.04436	0.3
135.08119	0.4
137.05983	100.0
138.03098	0.4
138.06285	0.6
142.02582	0.6
142.22218	0.4
142.66626	0.4
143.04942	4.2
145.06480	2.1
146.03616	0.4
147.04448	0.4
148.05206	2.6
149.05968	0.7
151.03918	12.5
151.05034	1.3
152.04768	0.4
153.05472	0.9
155.06093	0.8
161.05966	0.7
163.07555	4.2
167.07045	12.9
171.06548	0.8
173.05986	3.3
175.07562	0.9
181.04971	17.8
191.07031	14.5
201.09195	0.5
203.07034	2.0
205.08589	2.3
207.06609	0.4
209.08138	0.5
221.08147	0.7
233.08080	1.1
235.09656	1.8
263.09229	0.4
277.08389	0.4
327.12286	0.4
351.12234	0.5
355.12164	0.6
357.13364	12.5
369.13336	1.1
387.14407	34.9
388.14508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1441
Annotation	Magnolone
Peak:m/z	Relative Intensity
55.01886	0.7
60.61342	0.6
63.37500	0.4
65.03948	1.3
66.04695	0.4
68.93622	0.4
69.03430	0.8
69.59109	1.3
69.59499	1.2
79.05489	1.2
81.03435	0.5
81.07045	1.1
82.04205	0.7
85.02914	1.3
91.05478	1.6
94.04199	3.5
95.04979	0.4
96.44534	0.4
97.06526	0.5
99.04482	0.4
103.05487	2.3
105.07020	0.6
107.04964	1.7
110.03661	0.8
115.05450	1.8
117.07047	1.9
122.03668	7.4
123.04443	1.6
125.06003	0.8
131.04980	2.3
133.06493	0.6
137.05994	100.0
143.04944	2.3
145.06522	1.9
148.05191	1.9
151.03926	8.1
151.05019	0.8
153.05492	1.6
155.06059	1.4
163.07513	2.4
165.05508	1.9
167.07062	16.0
171.04434	0.8
173.06030	3.0
175.07536	1.9
181.04971	26.1
187.07526	0.4
189.05592	0.5
191.07048	9.8
193.08661	0.7
195.06529	0.5
203.07060	1.8
205.06888	0.7
205.08513	2.2
215.07100	0.5
233.08101	1.6
235.09695	1.6
242.41692	0.5
249.05319	0.5
280.07648	0.5
299.09286	0.6
314.11566	0.6
325.10861	0.6
339.12265	0.6
351.12350	1.5
357.09622	0.8
357.13367	13.5
369.13425	2.0
387.14429	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1804
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
53.03949	0.3
55.01865	0.3
55.38653	0.3
65.03943	0.4
66.04718	0.3
66.83144	0.3
69.03406	0.3
69.07082	0.3
69.80756	1.0
76.01093	0.2
77.03913	0.4
78.04735	0.4
79.05492	1.1
79.62003	0.2
81.07034	0.5
91.05487	1.8
94.04198	3.0
95.04951	0.5
96.67749	0.3
103.05469	0.9
105.07033	0.8
106.04172	0.5
107.04944	1.2
107.08583	0.3
109.06508	0.6
115.05479	0.8
117.07037	0.6
119.04930	0.4
119.08643	0.3
121.06522	0.4
122.03662	6.1
123.04431	1.0
123.45103	0.3
124.05206	0.5
129.07011	0.5
131.04961	1.5
131.08542	0.3
133.06525	0.5
135.04379	0.4
137.05988	100.0
138.06351	0.9
141.06996	0.7
143.04922	0.6
144.05667	0.3
145.06490	0.9
146.06075	0.3
147.04391	0.3
148.05226	1.2
149.05997	0.3
151.03932	1.0
151.07567	1.0
155.06078	0.4
157.06488	0.4
158.07230	0.4
159.08006	0.3
160.05241	0.9
161.05995	1.1
163.07552	1.0
165.05486	0.4
166.06287	1.0
167.07047	8.0
169.06514	0.4
172.05089	0.2
173.06009	1.2
174.05472	0.5
174.06807	0.5
175.07562	2.9
176.08301	0.4
177.05458	0.4
179.07132	0.3
180.07800	0.3
181.05008	2.0
181.08607	7.3
187.07570	0.9
188.08344	0.3
189.05466	0.3
189.09116	0.8
191.07056	0.7
195.06502	0.4
195.08342	0.3
195.10199	1.1
201.09117	2.6
202.04974	2.2
202.09953	0.4
203.07065	0.6
204.07787	0.4
205.08559	1.3
207.10205	0.7
217.08533	0.4
218.09424	0.3
219.06448	0.4
219.10219	0.9
225.14851	0.3
233.08031	1.2
233.11772	0.4
234.07632	5.2
237.07544	0.3
249.09134	0.4
251.12776	0.3
263.12729	2.6
270.74683	0.2
277.08627	0.4
290.06061	0.3
294.09064	0.3
309.11151	0.4
323.09094	0.3
325.10596	0.3
327.12302	1.4
337.10629	0.4
339.12219	0.3
341.14163	0.4
357.13333	1.8
369.13312	0.9
369.17062	0.9
378.39526	0.3
387.14282	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	387.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20912	0.3
53.03940	0.4
55.01866	0.5
56.96563	0.4
57.07077	0.3
65.03942	0.5
66.04718	0.4
71.52903	0.3
78.04715	0.3
79.05488	1.7
81.03429	0.5
81.07053	0.9
85.02892	0.4
91.05490	1.7
93.07023	0.5
94.04189	2.8
95.04980	0.5
95.08599	0.4
103.05474	1.3
105.07024	0.5
107.04956	1.9
107.08525	0.4
109.06528	0.8
111.04423	0.5
113.16074	0.3
115.05437	0.8
117.07012	0.6
118.04158	0.4
119.04978	0.4
121.06487	0.5
122.03652	7.7
123.04403	0.5
124.05204	0.5
125.06000	0.4
128.06242	0.4
129.07016	0.9
130.04196	0.4
131.04947	1.6
131.08592	0.3
133.06560	0.3
137.05981	100.0
138.03154	0.4
138.06284	1.4
141.06993	0.6
143.04965	0.4
144.05722	0.5
145.06461	1.2
147.04431	1.2
148.05193	1.5
149.05980	0.4
151.03885	1.6
151.07542	3.0
153.05484	0.8
157.06538	0.8
158.07320	0.6
159.08083	0.4
160.05219	0.8
161.05971	1.2
162.06766	1.3
163.03854	0.3
163.07518	1.2
165.05453	1.1
166.06219	0.7
167.03381	2.0
167.07045	7.6
169.06508	0.5
172.05251	0.5
173.06012	1.1
173.09596	0.4
174.06766	0.9
175.07547	4.3
176.08339	0.4
177.05508	0.4
178.99948	0.3
179.07076	0.3
181.05013	3.0
181.08603	9.7
187.07550	1.7
188.08324	1.0
189.05476	0.5
189.09076	2.3
191.07047	1.0
195.06480	0.3
195.10217	0.9
201.09074	2.1
202.09885	0.6
203.07002	0.5
203.10765	0.3
205.08624	2.0
206.07213	0.4
207.06493	0.8
207.10136	1.0
215.07047	1.2
217.08563	0.5
218.07327	0.3
219.08232	0.5
219.10172	1.4
233.05920	0.4
233.08101	3.5
233.11794	0.8
234.06799	0.7
235.07457	0.4
240.07797	0.3
247.07562	0.3
248.08296	0.5
249.09157	0.7
251.06953	0.4
251.12921	0.4
256.56046	0.3
262.06238	0.5
263.06982	0.4
263.12781	2.9
265.08557	0.9
277.08633	1.0
279.06696	0.3
281.08252	0.3
291.10202	0.7
293.08090	0.6
295.09512	0.5
305.08075	0.6
307.09561	0.4
309.11105	1.0
319.09741	0.5
323.09097	0.8
327.12363	0.4
336.09711	0.8
337.10678	1.7
338.11246	0.5
339.12375	0.3
341.13748	0.6
351.12308	1.2
357.13251	2.2
357.17075	0.3
369.13129	2.3
369.17337	0.5
374.30338	0.3
387.14374	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	387.2013
Annotation	Macarangioside D
Peak:m/z	Relative Intensity
54.54720	2.4
55.05511	2.7
57.03429	3.1
57.56823	2.2
60.35460	2.4
67.05502	4.7
69.03418	7.7
69.07059	5.3
70.06590	2.3
70.62971	6.8
71.04996	7.7
79.05479	6.5
81.03431	3.8
81.07053	6.2
83.04953	2.7
85.02885	9.9
85.06532	3.1
86.09698	3.1
91.05466	8.6
93.07024	8.6
95.04949	8.2
95.08620	22.2
97.02866	4.3
97.06512	6.9
105.07028	15.9
106.07378	2.7
106.80348	2.7
107.04915	2.3
107.08607	22.3
109.06522	43.4
109.10200	2.7
117.06975	7.0
119.08556	23.7
121.06521	3.0
121.10182	5.3
123.08067	8.3
127.03977	3.5
129.07010	2.9
131.08627	12.0
133.06468	2.4
133.10071	7.1
135.08049	13.0
135.11679	7.2
137.05972	15.3
137.09634	13.2
139.07542	10.0
143.05005	2.9
143.08553	8.9
145.10089	13.6
147.08043	8.2
147.11694	15.1
149.09637	19.3
151.03954	3.1
151.07512	4.6
156.09319	6.6
159.11671	15.7
161.09668	3.3
161.13258	12.4
165.09064	9.6
165.12752	5.1
167.07039	16.6
167.10672	5.4
171.11676	16.4
173.05878	2.7
177.12790	17.7
181.04883	5.4
181.12190	4.8
188.82173	2.5
189.12741	53.8
189.14439	3.3
207.13803	100.0
225.14862	22.0
251.33795	2.4
267.61447	2.4
317.08655	2.6
356.13516	3.5
387.14246	12.9
387.19562	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	387.2016
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
55.05508	9.3
57.03425	2.8
69.03423	7.9
70.17439	2.0
71.05022	2.7
71.32668	2.0
71.40208	2.5
79.05494	3.3
81.07075	5.6
85.02895	6.7
91.05479	8.9
93.07085	9.9
94.11311	1.9
95.04960	5.6
95.08611	7.7
97.06577	2.5
99.04433	5.2
105.07046	18.8
107.08611	24.9
109.06516	4.5
109.10161	10.2
119.08586	35.8
121.06499	6.2
121.10150	4.1
123.08083	45.8
127.39293	2.0
131.08594	5.0
133.10106	9.6
135.08047	8.9
137.05977	2.5
137.09622	15.7
141.95425	2.2
145.04898	2.1
145.10149	2.9
147.08061	6.0
147.11691	29.8
153.09122	3.4
156.09335	4.7
159.11722	24.2
161.09596	2.2
161.13286	23.6
171.11636	4.5
177.12755	15.6
189.12727	21.4
207.13821	100.0
208.14235	2.1
225.14888	16.2
379.81635	1.9
387.16275	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	387.2014
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
65.03947	3.3
67.05487	9.3
69.03436	7.5
69.54053	21.8
71.04994	6.5
79.05501	11.1
81.07045	12.6
81.31896	3.3
83.04996	3.3
85.02895	15.9
85.06538	12.1
91.05463	11.8
93.07040	30.5
95.08616	38.2
97.02884	3.7
97.06532	6.1
99.08090	5.1
105.07024	29.7
107.08591	83.5
109.06522	14.4
109.10171	10.0
111.08064	4.1
113.06041	3.4
119.08587	37.9
121.06506	18.3
121.10148	28.1
123.08072	14.5
131.08571	14.3
133.10144	4.8
135.11707	10.9
137.09634	52.8
137.64853	3.2
143.08560	4.9
145.10141	5.9
147.08067	7.2
147.11682	40.3
149.09627	54.7
149.13258	14.4
156.09375	7.1
159.11714	9.5
161.13260	35.4
163.11150	6.6
165.12776	13.3
167.10686	85.8
169.08687	4.5
171.11729	11.5
177.12743	57.7
189.12749	76.9
195.13818	8.8
206.56850	3.2
207.13803	100.0
207.15775	5.0
225.14880	95.8
249.81216	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	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05524	13.0
57.03436	1.7
61.02893	1.5
67.05506	4.0
69.03424	5.9
69.07066	4.1
71.02206	3.1
71.04980	3.8
79.05485	3.5
80.67662	1.4
81.07045	2.8
85.02903	6.0
91.05491	6.4
93.07036	7.8
95.04971	4.5
95.08622	8.3
97.06577	2.3
99.04439	4.4
105.07042	15.2
107.08602	21.2
109.06518	3.2
109.10168	10.4
117.07001	1.7
119.08591	38.6
121.06493	7.0
121.10162	5.4
123.08078	50.0
130.58182	1.2
131.08562	5.4
133.06458	1.6
133.10155	9.8
135.08040	9.0
135.11742	3.1
137.09642	9.8
143.08589	2.7
144.09348	1.7
145.10062	2.1
147.08060	6.0
147.11705	30.7
149.09636	5.6
153.09131	2.6
156.09360	4.8
159.11707	21.4
161.09705	1.7
161.13275	25.2
161.26379	1.3
163.11240	1.4
171.11737	5.0
174.10411	2.2
177.12772	12.2
189.12770	19.9
191.97105	1.4
207.13823	100.0
219.64650	1.6
225.14885	16.4
225.16991	1.9
240.00436	1.4
356.30850	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
53.05166	0.7
55.01867	2.0
56.96570	97.8
57.03432	3.5
57.07066	1.6
59.97873	0.8
61.02943	4.5
65.03913	1.0
66.04228	0.8
66.61099	0.8
67.05500	3.9
69.03091	0.9
69.03437	12.1
70.06590	1.6
71.51049	1.1
71.95273	1.6
72.08141	1.9
73.02908	3.9
74.97625	1.7
75.32347	0.7
76.07994	0.8
79.05489	8.2
81.03418	3.8
81.07050	3.5
83.04967	0.9
84.04512	1.7
84.08149	14.8
84.96027	4.0
85.02911	22.4
86.03265	1.0
86.09734	4.4
87.04456	1.9
89.03868	1.1
91.03949	2.6
91.05476	3.5
93.07033	3.3
95.04984	2.1
95.08589	1.3
97.02899	11.6
97.96881	0.9
98.97595	35.1
99.04453	2.9
99.97925	2.2
100.97098	1.0
103.05479	0.9
105.00170	0.9
105.07065	2.0
107.04926	1.6
107.08610	5.0
109.02886	3.3
109.06510	2.9
110.97578	6.1
112.99138	1.0
114.05573	1.2
116.98626	11.6
117.03413	1.0
119.04932	1.9
121.06521	7.4
123.08080	2.2
124.99152	1.8
127.03893	5.8
128.98665	4.8
129.10254	21.0
131.00211	2.0
134.99663	3.1
135.04369	1.8
137.05034	1.2
137.05995	17.1
138.06320	2.9
141.02243	1.2
143.00159	3.8
143.10687	1.5
144.98062	1.9
145.04942	3.1
146.99678	1.9
147.04417	5.8
148.04749	1.6
151.00687	1.1
151.07530	0.9
152.98569	2.4
153.02145	1.4
156.03377	5.2
156.04543	1.0
158.99672	14.6
160.97774	0.8
160.99126	1.7
161.01213	1.9
161.04651	1.3
162.96986	0.9
162.99295	1.1
163.00705	3.0
163.03935	8.1
163.97762	2.2
165.05472	1.2
167.00217	2.6
167.07080	1.8
168.03439	1.6
169.01738	1.9
170.99646	4.4
171.03346	1.7
171.04823	1.3
172.05682	3.9
174.04393	3.6
175.00642	2.1
176.98579	6.9
177.00751	8.0
177.04353	1.1
179.00140	6.7
179.04698	1.2
179.07065	1.5
180.05482	3.1
180.98096	2.7
181.01729	3.7
181.06177	1.8
181.98814	7.4
185.01260	4.1
185.04820	2.4
186.04376	5.9
187.02856	1.2
187.04451	1.8
189.00697	3.7
189.04161	1.1
189.05933	2.4
189.12383	1.4
190.06725	3.4
191.00298	1.3
193.01694	10.6
194.99681	25.9
195.03354	1.7
197.01245	13.1
197.04868	2.2
198.99168	6.9
199.02766	3.3
199.04477	1.2
199.99956	10.2
200.13995	4.9
201.00597	2.6
201.04364	1.1
203.02275	1.6
203.05888	2.0
204.05457	3.9
206.99663	13.3
208.04942	1.2
209.01184	3.5
209.05806	1.2
209.55519	1.4
211.02795	62.9
213.00722	39.0
213.02765	1.9
215.02240	3.6
217.00304	1.5
217.03810	2.3
218.01154	2.2
219.01740	8.6
219.05260	0.9
220.02303	1.4
223.02843	1.2
225.00735	34.1
225.08875	1.2
226.01529	1.2
226.05972	1.3
226.10858	1.2
226.56183	1.2
227.02403	5.5
227.06866	8.0
228.05565	7.0
229.03870	100.0
230.04308	1.8
231.01778	5.3
233.06972	1.6
234.04395	2.0
235.02753	2.6
237.02739	8.9
239.05878	1.4
241.03897	2.6
243.01810	25.2
246.06544	3.7
247.04897	8.2
252.05322	2.9
253.03770	2.4
253.06465	1.1
255.05487	1.5
259.04834	1.5
260.07413	1.3
261.02740	4.4
262.08905	1.1
270.18173	1.2
271.04947	1.6
273.09723	1.3
280.07056	1.4
280.57092	1.3
289.07745	1.6
297.58362	3.3
298.08374	1.1
299.05853	1.4
303.04196	1.3
303.07693	1.7
305.07010	2.8
311.10590	6.6
311.60953	1.5
312.11316	1.0
313.62476	2.0
317.06918	8.2
319.04871	1.2
335.08075	10.3
347.08044	49.4
357.08649	2.1
363.73657	1.0
365.09137	24.8
370.14969	1.0
373.08258	1.0
375.09583	1.4
378.60757	4.7
379.12256	1.9
388.10117	1.3
388.15329	3.4
388.25494	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	388.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.7
62.84590	2.0
65.54525	1.6
67.05496	2.6
69.03436	38.0
69.07066	5.1
71.51778	1.7
77.61158	1.8
79.05489	5.7
81.07063	5.4
83.05007	2.6
85.02898	5.9
85.06539	2.1
91.05489	3.0
93.07065	3.8
95.08611	6.5
97.06530	4.4
103.05463	2.8
105.07022	5.3
107.04942	3.9
107.08620	13.1
109.02798	1.9
109.06526	6.6
116.91600	1.8
119.08599	3.9
121.06484	3.9
121.10152	10.0
122.03648	4.2
123.04475	3.8
123.11706	4.6
125.09639	18.9
131.04947	11.3
131.08595	5.5
133.10085	3.5
135.08063	9.3
135.11700	4.0
137.05988	31.6
138.06349	12.6
145.10136	3.9
149.09628	5.6
149.13200	2.6
151.03932	8.7
151.07576	3.7
151.11206	2.3
152.04649	2.9
153.09125	6.8
158.10954	3.5
163.07483	2.2
163.14824	4.1
165.12723	3.6
167.07069	46.5
168.07387	4.4
173.13268	15.0
181.04962	5.3
191.14326	60.5
209.15387	100.0
309.84750	1.9
340.94269	2.2
353.13879	2.7
358.13736	4.4
371.14822	10.8
388.14954	12.1
389.15698	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.1
53.03952	3.0
55.01880	4.5
56.96556	1.2
57.03424	1.7
58.16441	0.9
61.02938	1.0
65.03934	1.3
67.05508	17.1
69.03447	5.2
69.03769	0.7
70.06614	1.0
70.94628	1.2
70.94949	1.2
71.01353	3.9
72.08163	2.3
73.02911	2.9
78.45467	0.8
79.05494	11.6
81.03425	4.0
81.07070	7.9
84.04498	2.1
84.08150	1.7
85.02915	6.7
86.09713	3.5
87.04445	1.0
91.05486	37.7
91.40672	0.7
93.07046	14.8
95.04964	9.3
95.08600	1.6
97.02901	6.3
97.06564	1.4
98.97602	1.5
99.04436	1.2
103.05463	9.1
105.03419	1.9
105.07016	1.9
106.02924	2.7
107.04996	1.2
109.02876	4.1
109.06530	5.9
115.03941	4.1
116.98609	1.1
119.04949	37.8
121.06512	21.9
123.04465	6.0
123.08065	1.4
124.03970	3.7
127.03889	1.9
129.10262	1.2
131.04964	1.0
133.04970	3.6
133.42705	0.9
137.05991	36.2
139.07544	2.3
141.05544	1.1
147.04417	36.8
149.06004	10.5
161.04538	1.1
165.05495	22.1
167.07037	17.2
175.03925	6.4
179.07025	1.1
183.06577	2.7
193.04973	100.0
194.05357	1.3
209.15479	1.2
211.06020	46.4
231.04907	1.0
237.02798	1.3
255.08786	1.7
268.08258	2.3
325.09079	2.8
353.08789	3.2
371.09830	9.8
389.10745	4.1
389.17847	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	389.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03713	1.3
53.03946	3.8
55.01862	5.8
55.05507	3.8
57.03429	2.9
58.32116	1.6
59.04994	5.2
61.02928	2.1
67.05502	20.1
69.03442	9.2
69.07095	3.2
70.06604	3.3
71.01354	5.0
71.04999	2.9
72.08161	6.6
73.02914	3.3
74.09718	1.4
75.33281	1.3
76.06155	1.3
77.03943	1.5
79.05495	17.7
81.03417	4.3
81.07075	14.8
83.05014	1.9
83.08652	2.0
84.08145	3.4
85.02904	15.1
86.09711	18.5
87.04464	6.1
91.05484	45.8
93.07046	16.5
95.04967	26.4
95.08609	4.5
97.02885	10.9
97.06526	9.9
99.04465	5.9
103.05474	8.1
105.03382	2.0
105.05516	4.3
105.07039	6.6
107.04952	2.2
107.08609	3.3
109.02885	7.3
109.06518	16.1
111.04416	2.0
111.08068	2.3
115.03942	5.8
119.04115	3.1
119.04940	39.7
119.08579	3.2
121.06504	25.5
121.10147	4.7
123.04427	10.0
123.08089	7.2
125.02322	1.8
125.09700	1.8
127.03919	10.8
128.06219	1.4
130.05002	1.9
131.04912	2.8
133.04973	3.9
133.10124	9.4
135.08032	2.0
137.05988	39.2
139.07559	1.7
141.05469	5.4
141.09151	5.5
145.04953	5.0
147.03249	2.3
147.04416	37.1
147.11705	5.5
149.05995	12.2
150.48344	1.5
153.09102	10.5
161.05981	2.6
163.07494	1.3
163.14655	1.9
164.07132	2.7
165.05490	22.0
165.09146	3.9
165.12674	2.0
167.07050	20.2
173.13266	4.5
175.03908	9.2
175.07530	2.2
177.05457	4.2
178.79611	1.5
179.07048	1.8
183.06538	2.9
191.14255	9.5
193.04968	100.0
193.08597	3.8
203.13983	2.2
205.08682	2.2
209.15387	25.3
211.06027	50.1
220.03125	1.5
227.16423	15.4
231.08623	1.9
255.08743	3.2
295.09790	2.0
321.11310	1.7
325.09161	4.6
353.08664	3.1
357.15436	7.3
371.09784	11.4
389.17853	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	389.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	64.5
57.03447	1.1
61.02929	1.4
67.05491	1.0
69.03424	2.4
70.06598	1.2
70.98113	2.0
71.95277	1.7
72.08141	1.3
73.02933	1.9
74.97610	7.0
79.05485	3.7
81.03423	2.2
81.07055	1.3
82.41957	0.8
84.08141	2.0
84.96051	6.0
85.02911	6.3
86.09708	2.4
86.97587	5.5
91.05531	1.1
93.07053	1.0
95.04977	2.0
95.08594	3.3
97.02909	5.1
98.20759	2.2
98.97591	17.4
105.07042	3.3
109.02897	1.1
110.97593	4.0
114.97066	8.0
115.00690	1.3
116.98602	4.3
121.06507	1.4
123.08053	3.6
124.99136	1.6
127.00709	5.0
128.98615	1.1
129.02264	7.7
132.98099	13.8
137.05980	8.2
139.00696	1.5
141.02238	6.6
141.09123	2.1
143.00166	4.2
144.98059	1.0
145.01740	2.9
147.03291	10.2
147.04384	1.4
150.32919	0.8
150.99153	11.5
153.02098	1.1
156.03369	1.7
157.01752	2.1
158.99677	3.3
159.03284	8.5
161.01234	1.7
163.02715	1.1
163.03949	1.9
165.04356	1.1
167.03815	15.1
167.07002	2.7
168.03345	1.0
169.00221	2.3
169.01746	1.6
170.99680	1.3
171.03357	1.9
171.04802	1.3
177.00719	2.8
177.05550	1.7
179.03830	3.5
180.05458	10.0
180.55653	1.3
183.03339	2.0
185.04869	100.0
186.04367	2.2
187.02835	3.5
187.04358	1.0
189.05960	15.6
189.56142	1.6
195.03302	1.6
197.01497	0.9
197.04875	23.2
200.56862	1.3
201.00717	1.2
201.04413	1.6
203.05930	58.5
204.05411	1.6
205.03871	6.6
213.04279	1.8
215.05925	40.4
219.01804	3.0
221.06853	1.6
223.05377	1.7
225.04245	1.8
226.07648	1.4
229.06123	1.2
231.03148	1.2
231.05432	1.1
233.06979	52.5
234.98993	1.6
237.02834	1.9
239.05974	1.8
241.09245	1.4
243.05363	2.1
244.99873	1.1
248.95938	0.9
249.03854	2.6
251.08075	5.9
256.08640	1.5
257.07050	1.6
257.10626	3.1
259.10150	1.9
263.08575	4.3
267.03812	1.6
272.09109	3.5
273.06458	31.3
275.08157	1.2
279.10016	1.0
283.08453	2.1
287.11591	4.4
291.07532	62.1
292.07986	1.1
301.09683	2.1
303.00522	1.2
303.07532	1.0
309.08636	1.7
313.09552	20.2
314.09125	1.9
327.07587	1.2
327.11111	3.0
331.10654	57.6
332.11011	1.5
345.12283	1.9
346.99829	1.0
349.11807	2.1
353.09286	1.5
359.10199	2.6
365.00571	2.5
371.10275	3.1
377.11197	3.2
389.11676	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	389.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.01883	6.5
57.03420	4.7
65.03928	6.6
67.05498	9.7
69.03435	11.1
69.07070	15.1
70.06601	7.3
71.04984	6.5
71.51086	5.0
72.08175	6.0
73.02926	19.8
79.05504	9.8
81.03420	11.0
81.07067	8.1
83.04989	6.1
84.08123	7.0
85.02914	26.1
85.06535	4.8
86.09711	88.3
91.05473	8.3
93.07030	7.4
95.04978	35.5
95.08603	14.0
97.02888	10.5
97.06550	5.9
99.04443	11.0
101.02371	3.8
103.05470	6.9
105.07041	7.8
107.04973	10.5
107.08621	13.1
109.02895	4.3
109.06512	10.5
109.10173	13.7
117.07039	8.2
119.04910	4.7
119.08585	7.5
121.06523	5.3
121.10143	7.2
122.03651	4.2
123.04399	5.2
123.08102	6.2
123.11714	8.2
127.03908	11.3
129.06979	5.1
131.04936	11.3
131.08592	10.0
133.10136	25.0
135.08067	6.4
137.05991	85.7
140.04710	26.3
141.05426	6.1
141.09116	10.2
143.11832	11.0
145.05110	4.1
147.04456	12.6
147.07961	4.8
149.05991	4.4
149.13266	4.6
151.11227	7.1
153.09142	15.3
155.07047	55.6
156.05746	9.2
163.03911	5.0
163.07542	7.7
164.07109	5.7
167.07083	36.5
171.11436	8.1
173.06061	4.5
173.13275	7.7
175.07542	9.5
177.05522	14.0
179.07065	6.8
181.04959	58.6
187.07599	8.3
191.10616	5.0
191.14339	12.3
202.06252	4.3
205.08603	9.2
209.08128	18.4
209.11865	5.4
209.15410	34.0
217.08537	27.8
219.08089	4.0
219.13376	9.2
227.09167	100.0
227.16313	7.0
233.09790	3.8
241.08733	4.3
247.09714	11.1
261.09058	6.0
278.09268	6.5
285.07681	8.1
293.11710	4.5
300.09952	15.6
321.11273	7.5
341.13651	7.2
353.13818	16.6
371.15082	13.5
389.18164	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	389.1596
Annotation	Renealtin A
Peak:m/z	Relative Intensity
51.02365	1.1
53.03928	1.4
55.01873	6.0
65.03937	1.9
67.05482	0.8
69.03422	3.0
69.07075	1.5
69.32334	5.9
78.04700	2.8
79.05478	3.3
79.64000	0.9
81.03391	1.5
81.07085	1.0
85.02901	1.8
91.05476	3.5
93.03373	1.3
93.07047	1.1
94.04166	1.5
95.04972	2.1
95.08604	2.0
96.05762	0.8
98.20790	1.2
103.05473	9.0
105.07022	1.5
106.04179	1.6
107.04948	5.8
107.08575	1.1
108.90159	0.7
110.03671	0.9
111.04413	1.4
115.05433	1.4
119.48551	0.7
121.06509	2.0
121.10155	1.5
122.03654	3.6
123.04415	6.9
124.05208	2.3
129.06992	3.1
131.04932	22.0
131.08606	1.8
133.10091	1.2
135.04428	0.9
135.11722	0.7
137.05980	36.4
141.07025	0.8
145.06480	2.5
147.04434	1.2
147.07980	0.8
147.11755	1.0
149.05968	1.9
151.03925	13.3
151.05045	1.2
151.07561	4.1
152.04681	1.6
153.05458	2.4
157.06453	3.8
159.04453	0.9
159.08072	1.9
160.05165	1.5
161.06013	1.4
162.06686	0.8
163.07556	11.2
165.05554	1.9
167.07043	100.0
168.07364	1.3
171.06505	1.2
173.06041	1.2
173.13194	0.9
174.06763	3.3
175.07559	5.4
177.05498	7.0
177.09148	1.4
179.07083	1.3
181.04961	16.6
181.08533	2.2
187.07536	2.5
189.07504	1.2
189.09102	7.6
191.07013	1.3
192.14615	1.4
201.09106	2.0
203.07047	2.1
203.10638	1.4
205.08644	1.7
207.06454	1.8
209.08089	13.8
209.09937	1.1
209.15292	1.4
210.15714	1.8
217.08614	2.5
219.08128	1.4
219.10092	8.4
221.08119	2.1
233.09740	1.5
234.06732	0.8
235.09653	1.4
247.09622	1.3
249.09055	1.2
261.09180	3.1
262.09973	0.8
263.07028	0.9
277.08618	2.2
278.09335	1.8
279.10034	1.0
285.07562	1.0
289.08469	1.3
293.11853	4.4
300.09946	2.6
306.08786	1.1
307.09665	1.6
309.11301	1.2
311.12744	0.9
321.11337	4.9
327.12323	0.9
339.12357	5.1
341.13937	1.6
353.13797	4.5
364.72253	0.9
371.14868	28.5
372.15375	1.1
389.15930	10.1
389.20120	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	Simulanol
Peak:m/z	Relative Intensity
55.01867	14.7
61.48103	3.6
65.03923	8.6
67.05489	8.1
69.32594	19.1
69.33016	12.0
79.05481	7.6
81.03415	8.6
81.07035	7.4
87.92770	4.0
91.05488	24.2
94.04193	5.8
95.04959	7.6
96.42747	3.5
98.20863	8.8
103.05480	9.3
107.04951	14.4
108.02069	4.4
115.05388	4.5
117.06932	4.9
118.03969	3.9
118.81203	3.8
122.03644	6.0
123.11710	9.9
129.06999	16.7
131.04916	11.9
131.08569	9.6
133.06496	4.8
133.10153	5.8
137.05984	100.0
140.04797	5.0
143.04828	4.6
145.06509	8.7
149.06012	6.2
151.03914	73.0
151.05029	7.1
151.07527	21.4
153.05466	11.5
156.05725	7.7
157.06485	11.7
158.15228	4.5
159.08063	10.0
161.05959	5.9
161.09705	4.5
163.07533	7.1
165.05467	9.3
167.07053	48.9
173.06018	7.2
174.06740	9.1
175.07588	21.2
177.05518	21.1
179.07069	5.3
181.04958	47.0
181.08559	4.8
187.07564	15.5
188.08308	4.8
189.09102	21.0
191.07062	5.7
201.09036	5.3
203.07025	9.8
203.10789	7.1
205.08591	11.1
209.08046	24.5
211.07462	6.7
215.08620	5.3
217.08607	31.8
218.07201	4.4
219.08086	8.7
219.10179	23.3
221.08022	7.9
231.07854	5.1
239.07123	19.5
241.08554	6.9
247.07501	7.0
247.09700	13.9
249.09076	11.5
252.07866	7.1
260.08478	4.5
261.09052	18.1
263.06952	6.4
266.09399	4.5
271.05811	5.3
275.10376	4.4
277.08563	16.2
278.09329	11.1
281.73245	4.0
285.07574	74.9
287.10446	4.1
289.08725	5.8
293.08368	5.0
293.11581	11.1
300.09912	96.7
301.10687	8.6
309.11047	8.8
311.12842	5.3
313.10532	7.2
321.11108	22.5
339.12289	18.3
341.13815	11.0
353.13858	37.0
357.10889	6.3
371.14844	43.0
389.15973	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
65.46582	0.7
66.04733	1.6
66.23708	0.7
69.03436	1.3
77.03922	1.2
79.05503	4.1
80.70152	0.7
81.03426	10.3
81.07049	1.5
91.05482	3.5
94.04190	5.9
95.04958	2.3
103.05464	1.5
105.04492	0.9
105.07046	1.2
107.04949	1.0
109.06525	5.6
115.05441	2.3
117.07018	1.6
119.70138	0.7
121.06538	1.9
122.03653	9.2
124.05155	1.0
128.06210	2.9
129.07010	7.0
131.04947	1.8
133.06494	2.4
135.04407	0.8
136.05206	3.2
137.05989	75.9
139.07549	3.4
143.04924	2.3
145.06503	1.5
148.05167	1.8
149.06007	1.0
151.03923	11.3
151.05002	1.2
151.07559	24.7
153.05490	2.0
155.07056	3.4
157.06529	8.6
158.07213	1.8
160.05202	1.9
161.05968	3.3
161.09676	1.8
163.07552	2.9
165.05486	100.0
166.06293	3.6
167.07048	2.7
171.04436	4.6
172.08861	1.2
173.05992	2.6
174.06758	4.3
175.07497	3.8
176.08441	1.0
177.09084	2.4
179.07043	3.5
181.08604	17.1
187.07526	2.5
189.05565	1.1
189.07422	1.2
189.09123	17.0
190.06271	2.1
190.09691	0.9
191.07019	2.4
191.10762	2.2
193.08658	1.6
201.09053	1.2
203.07054	9.5
203.10649	4.1
205.08597	10.1
207.08096	0.8
207.10144	2.3
217.08607	27.9
219.10112	4.0
221.08054	1.9
229.08665	2.1
233.08060	2.4
235.07585	1.4
235.09663	5.2
247.07704	0.8
247.09718	6.6
257.08057	1.9
261.09082	1.5
262.09698	1.0
277.08643	1.1
285.07364	1.1
289.08530	1.3
290.09250	1.0
291.10022	1.0
293.11658	2.3
294.12628	1.2
298.11945	1.1
300.09988	6.0
307.09659	1.0
309.11401	1.3
310.11911	1.4
320.10480	1.0
321.11288	4.2
322.11798	2.3
323.12949	0.9
325.14236	2.4
326.11475	1.8
335.12784	3.4
341.13770	9.7
353.13794	8.1
356.16220	3.0
359.14886	1.2
371.14880	11.0
371.18759	3.4
386.32813	0.9
389.15756	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1597
Annotation	Simulanol
Peak:m/z	Relative Intensity
51.36172	0.7
53.03942	1.8
54.33998	0.6
55.01863	1.8
55.75852	0.6
65.03936	1.4
66.04717	1.3
69.03457	0.8
69.86180	3.3
77.03963	0.8
79.05506	4.5
81.03426	8.2
81.07047	1.3
88.53880	0.7
91.05468	2.4
93.05555	0.7
94.04174	3.0
95.04969	2.2
98.20744	0.7
101.53699	0.6
103.05486	1.3
105.04477	1.0
107.04968	2.6
108.05750	0.7
108.96293	0.6
109.02866	0.8
109.06529	4.2
115.05472	2.9
120.65833	0.7
121.02917	0.9
121.06521	1.3
122.03654	6.3
126.03136	1.0
128.06226	3.1
129.07007	7.0
131.04898	1.9
136.05188	2.8
137.05984	38.9
139.07579	3.0
143.04889	3.2
145.06419	1.4
146.07301	1.1
148.76971	0.6
149.05923	0.9
151.03931	11.8
151.05019	1.2
151.07550	24.0
151.97661	0.6
155.07103	3.8
157.06525	10.4
158.07330	1.4
159.08051	1.0
160.05177	1.4
161.05975	1.5
161.09624	2.8
165.05486	100.0
166.05893	0.8
167.07033	1.9
171.04434	3.6
173.06046	1.6
174.06760	5.5
175.07516	3.8
177.05460	1.1
177.09111	1.6
179.07036	2.6
181.04922	2.2
187.07581	1.2
188.08395	0.7
189.09125	15.2
190.06238	1.4
191.07074	1.9
195.06485	0.9
201.09085	0.7
203.07074	8.7
203.10704	2.5
205.08607	10.8
209.08090	1.7
217.08614	34.4
219.10104	5.8
221.08121	2.3
229.08601	1.7
229.76802	0.8
232.08890	0.8
233.08055	1.9
235.09633	4.7
247.07477	1.0
247.09688	8.9
249.09247	1.1
257.08167	1.8
261.09015	0.8
263.07059	1.0
277.08673	1.6
279.10211	0.9
285.07800	0.8
291.10181	1.7
293.11685	1.3
294.12491	0.9
298.12003	1.0
299.09113	1.2
300.09885	3.7
307.09460	0.8
309.11237	1.6
310.12057	1.8
311.12894	1.4
321.11237	4.6
322.11902	2.3
323.12753	1.3
325.14386	2.5
326.11554	1.6
335.12677	3.3
338.11557	1.1
341.13812	10.1
353.13931	8.9
359.14844	1.1
363.76343	0.7
371.14905	16.6
389.16113	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	389.1596
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
51.02409	0.6
53.03952	0.7
55.01889	0.7
56.68052	0.5
66.04715	0.6
68.06651	0.5
69.25484	4.3
78.04710	2.7
79.05492	3.4
81.07062	0.7
82.18483	0.5
91.05489	1.8
94.04189	2.8
95.04980	1.2
97.02922	0.7
103.05472	7.7
105.07033	6.8
106.04156	1.4
107.04960	4.9
115.05446	1.7
119.04946	0.9
119.43193	0.7
121.06561	0.7
122.03654	7.6
123.04433	6.1
124.05231	2.2
129.07024	0.6
131.04932	22.3
133.06497	7.7
134.03680	1.0
134.26810	0.5
137.05981	89.7
139.07521	0.6
140.93739	0.5
143.04985	0.8
143.06015	0.8
145.06480	1.3
147.04414	0.9
147.08069	0.7
149.05972	2.2
151.03940	2.0
151.07568	1.9
152.04700	1.8
157.06570	0.9
159.08073	0.8
161.05988	13.4
162.56418	0.5
163.07552	9.1
165.05542	3.6
167.07042	100.0
168.07391	1.1
174.06763	0.7
175.07568	3.6
176.04724	1.0
177.05457	2.1
177.09096	0.6
178.06218	0.6
179.07011	2.7
181.04926	1.0
181.08594	0.6
187.07507	1.2
188.04758	0.6
189.09102	1.4
190.04660	0.5
193.08632	7.4
195.06548	0.6
205.08524	0.8
207.06512	2.4
207.10110	1.0
209.08063	4.2
218.07289	0.8
219.08119	0.6
221.08096	0.7
231.08075	0.6
233.09612	1.4
235.07535	0.7
235.09697	2.4
247.07504	0.9
247.09801	1.2
253.10689	9.4
253.13010	0.4
261.09125	3.9
262.09912	1.4
263.06992	0.6
277.08557	0.8
278.09229	1.4
289.08566	2.3
290.09573	0.6
292.10794	0.6
293.11713	5.1
295.96359	0.6
307.09549	1.4
311.12738	1.1
321.11191	6.6
325.14465	1.3
335.12830	2.3
339.12112	1.5
353.13779	7.2
371.14896	29.7
389.15866	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1596
Annotation	Renealtin A
Peak:m/z	Relative Intensity
53.03955	2.5
55.01874	7.6
65.03939	4.3
66.04708	2.7
67.05502	4.4
67.60767	1.5
69.03439	8.3
69.52598	10.2
78.04704	1.6
79.05503	9.8
81.03429	12.0
81.07073	4.1
91.05483	6.1
93.03403	2.6
93.07037	2.7
94.04180	4.9
95.04958	6.8
95.08610	2.1
98.20758	1.8
102.44949	1.6
103.05468	16.0
105.04541	1.4
105.07037	7.5
107.04968	8.1
107.08614	2.7
108.02093	3.9
109.06516	5.1
112.39516	1.4
115.05451	4.6
117.07058	2.5
118.04147	4.3
119.04973	4.2
119.08620	1.7
121.06528	2.4
121.10094	1.8
122.03653	9.0
123.04440	3.3
123.11698	3.2
124.40580	1.4
125.06062	1.7
128.06206	1.7
129.07004	8.0
131.04938	18.3
131.08531	1.8
133.06508	4.4
133.10071	2.4
135.04405	1.9
135.08052	3.2
136.05193	5.1
137.05983	79.0
139.07590	4.1
143.04944	4.5
144.05640	1.7
145.06479	3.3
147.04457	2.7
148.05177	8.2
149.06009	2.0
151.03920	85.7
151.05028	9.0
151.07553	39.8
153.05492	4.1
155.07082	4.3
156.32629	1.6
157.06505	13.1
158.07254	2.5
159.11742	1.7
160.05176	4.4
161.05934	8.5
161.09579	2.9
163.07565	15.8
165.05481	100.0
167.07011	14.5
171.04468	4.2
172.08859	3.0
173.05962	5.7
173.13187	1.8
174.06758	4.6
175.07533	7.3
176.04691	2.3
177.05466	4.0
179.07018	5.4
179.62810	1.6
181.04968	6.3
183.06560	1.9
186.06723	1.8
187.07536	2.0
188.08311	2.4
189.09116	17.1
190.06238	3.2
191.07042	77.0
192.07437	2.0
193.08611	2.2
201.09085	3.0
203.07034	18.4
203.08633	2.3
203.10641	9.6
205.08586	13.9
209.08101	3.3
211.11110	1.7
217.08595	32.4
219.10165	6.5
221.08069	3.8
229.08699	2.8
233.08150	5.1
235.09619	5.9
247.07330	2.0
247.09647	6.1
249.09166	2.8
253.10690	2.8
261.09387	2.6
263.07315	2.0
265.08664	1.7
277.08633	3.0
289.08588	2.6
291.10281	1.8
293.11725	3.3
299.09189	2.5
300.09946	9.0
310.12033	2.2
321.11206	5.9
322.12183	3.0
325.14136	3.7
335.12808	6.3
341.13870	17.2
353.13800	15.0
359.14664	2.3
371.14899	21.0
389.15582	9.7
389.19797	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2172
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.05507	10.1
57.03428	4.9
61.05446	3.7
67.05501	12.3
69.03420	13.3
69.07082	9.4
71.04991	11.6
71.35694	8.4
79.05471	10.2
81.07076	30.4
83.04970	11.6
85.02900	18.4
85.06547	13.4
86.09714	5.5
91.05485	9.9
93.07057	31.5
95.04974	40.7
95.08603	31.0
97.06506	20.7
99.04445	14.0
99.08098	12.1
103.05458	8.8
103.52273	4.3
105.07034	29.0
107.08604	52.7
109.06532	24.6
109.10170	15.8
117.07021	6.2
119.08588	21.6
121.06516	10.5
121.10152	33.5
123.08096	22.7
123.11711	5.9
131.04945	14.8
131.08565	20.6
133.10143	59.8
135.08054	12.6
135.11711	7.5
137.05977	5.9
137.09642	10.1
138.91919	4.4
139.11200	5.2
141.09087	10.5
145.10141	14.4
147.11720	31.0
149.09659	20.2
149.13277	36.3
151.11182	14.5
153.09129	28.4
163.07524	7.4
163.14841	26.6
165.12758	5.2
167.10699	6.2
173.13280	39.8
191.14311	100.0
209.11836	6.8
209.15369	73.0
227.12897	7.5
227.16455	70.0
330.46225	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	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
50.35535	2.6
55.05512	6.1
56.12754	2.3
57.03429	7.1
59.04995	7.3
59.48653	2.9
63.05256	2.7
67.05502	9.0
69.03426	12.1
69.07064	8.6
70.06573	3.8
71.04984	9.4
71.52233	3.0
72.08155	9.4
74.22803	2.9
75.38129	2.3
78.24649	2.4
79.05483	14.3
81.03414	7.3
81.07065	15.9
83.04967	4.9
83.08614	8.0
84.08150	3.9
85.02909	27.8
85.06564	3.1
86.09704	22.6
87.04465	6.7
91.05493	20.8
91.90926	2.7
93.07072	15.6
95.04974	64.0
95.08597	10.1
97.02888	10.3
97.06535	28.0
99.04469	19.6
99.08104	4.5
103.05455	3.0
104.31432	2.3
105.05485	3.7
105.07030	20.7
107.08604	16.9
109.02878	6.3
109.06511	34.9
109.10168	5.9
111.08073	3.9
119.04950	10.1
119.08563	11.0
121.06522	9.4
121.10147	20.0
121.14371	2.3
123.08066	13.6
125.09615	3.2
127.03909	10.6
131.04953	3.0
131.08589	9.4
133.10127	52.7
135.08057	7.1
135.11661	4.0
136.19452	3.3
137.06007	27.1
139.11208	3.6
141.09111	7.8
141.62360	2.3
145.04933	5.6
145.10117	5.6
147.04413	8.6
147.11711	25.8
149.06000	4.4
149.09682	3.0
149.13264	4.9
151.07491	3.2
151.11188	3.2
153.09108	43.4
161.05980	5.2
163.14825	6.0
164.07091	3.0
165.05434	4.6
165.09012	2.5
165.12804	6.4
167.07040	6.1
171.10152	4.2
173.13232	22.4
175.03888	4.0
177.05577	3.1
177.09201	3.2
180.14021	2.5
191.06976	2.9
191.14299	44.8
191.15901	4.5
193.04979	25.5
193.08569	5.2
203.03558	2.8
203.05324	3.1
209.15366	100.0
211.06035	8.7
214.36848	3.1
226.14458	4.6
227.14249	3.4
227.16411	68.4
357.15167	13.8
373.16629	2.9
389.17758	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	389.2172
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.05500	8.7
66.89413	3.1
67.05499	10.4
69.03419	10.4
69.07062	9.8
71.04974	4.5
71.39346	7.2
78.95609	3.0
79.05503	5.2
80.68774	3.7
81.07063	27.7
83.05009	5.0
83.08630	3.4
85.02934	16.0
85.06556	8.6
91.05479	10.2
93.01461	3.0
93.07060	25.8
95.04969	22.9
95.08612	24.4
97.02911	4.7
97.06524	13.6
99.04469	8.4
99.08087	7.1
105.07044	19.9
107.07887	4.4
107.08604	67.1
109.06506	15.2
109.10162	19.5
111.08058	5.7
119.08559	10.6
121.06508	5.9
121.10148	42.9
123.08092	13.4
127.03904	6.1
131.04939	4.3
131.08522	15.6
133.10159	39.4
135.08051	12.1
135.11650	5.2
137.05952	4.6
137.09621	7.0
139.11162	7.2
141.09099	9.6
145.10106	4.1
147.11662	17.5
149.09618	14.2
149.13295	27.7
151.11189	19.7
153.09096	9.5
161.13278	3.7
163.07411	3.6
163.14856	31.8
166.38861	4.3
167.10660	5.9
173.13281	36.8
179.14426	4.6
189.12628	3.7
191.14333	100.0
209.15393	59.9
227.13029	4.9
227.16454	60.0
346.99246	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2172
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.01870	2.8
55.05517	5.7
55.33039	2.6
57.36038	2.6
64.08750	2.7
67.05496	3.7
69.03427	7.3
69.55254	15.7
81.07055	6.4
83.01327	3.5
85.02916	13.7
93.07035	4.1
95.08623	6.2
97.02882	4.2
97.06538	5.3
97.10188	2.5
99.04464	4.3
99.08125	14.5
101.06033	3.9
105.07018	3.8
107.08598	8.6
109.10168	4.8
119.08556	3.8
121.06515	3.5
121.10146	16.1
123.08082	2.3
123.11663	4.1
125.09619	5.2
131.08612	3.2
133.10143	11.2
135.08081	3.5
135.15913	2.4
137.05998	8.3
137.09705	3.1
139.07498	4.1
148.04771	2.7
149.09644	19.3
149.13234	4.1
151.04008	4.3
151.11214	7.9
155.58092	3.0
161.13509	2.5
163.14787	3.6
173.13277	8.0
181.04951	5.5
191.14307	15.7
192.99019	3.0
209.15385	100.0
227.16458	14.7
389.15656	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	389.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.1
57.03428	4.9
61.05446	3.7
67.05501	12.3
69.03420	13.3
69.07082	9.4
71.04991	11.6
71.35694	8.4
79.05471	10.2
81.07076	30.4
83.04970	11.6
85.02900	18.4
85.06547	13.4
86.09714	5.5
91.05485	9.9
93.07057	31.5
95.04974	40.7
95.08603	31.0
97.06506	20.7
99.04445	14.0
99.08098	12.1
103.05458	8.8
103.52273	4.3
105.07034	29.0
107.08604	52.7
109.06532	24.6
109.10170	15.8
117.07021	6.2
119.08588	21.6
121.06516	10.5
121.10152	33.5
123.08096	22.7
123.11711	5.9
131.04945	14.8
131.08565	20.6
133.10143	59.8
135.08054	12.6
135.11711	7.5
137.05977	5.9
137.09642	10.1
138.91919	4.4
139.11200	5.2
141.09087	10.5
145.10141	14.4
147.11720	31.0
149.09659	20.2
149.13277	36.3
151.11182	14.5
153.09129	28.4
163.07524	7.4
163.14841	26.6
165.12758	5.2
167.10699	6.2
173.13280	39.8
191.14311	100.0
209.11836	6.8
209.15369	73.0
227.12897	7.5
227.16455	70.0
330.46225	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	390.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01867	3.8
55.05508	2.5
57.03438	1.5
61.02924	3.1
67.05464	1.5
69.03420	4.4
69.61650	3.1
69.62051	6.6
70.06586	5.1
79.05494	6.0
81.03411	2.7
84.04538	2.3
84.08174	1.9
85.02912	11.4
86.09706	3.5
91.03955	1.5
91.05478	8.7
95.04965	2.5
97.02870	4.0
97.06550	1.4
99.04472	2.1
103.05470	5.5
105.03415	1.5
105.07037	48.6
107.04963	4.3
107.08584	1.6
109.02896	2.6
109.06506	3.1
114.05552	2.0
115.05463	8.7
118.04153	2.5
118.06453	1.4
119.04943	6.4
121.06511	4.4
122.03661	2.8
127.03921	3.4
131.04915	1.8
133.06506	51.4
133.10126	1.4
137.05991	66.1
141.09248	1.6
143.04953	1.9
143.06082	3.1
145.04939	5.4
147.04393	2.6
149.05957	6.7
151.07567	13.6
153.05449	3.3
161.05991	100.0
163.64716	1.4
167.07068	4.0
168.07777	2.1
177.09109	6.2
179.07104	1.9
180.08727	2.2
192.14754	1.8
193.08627	76.2
210.15720	2.3
211.06154	1.7
211.09705	19.2
212.12828	1.7
228.12373	2.6
237.11084	2.7
243.61745	1.6
261.60968	1.4
272.49905	1.4
295.13080	2.0
305.11722	5.7
322.11624	1.6
323.12784	3.4
337.14307	3.1
355.15356	9.0
372.14938	2.0
373.16461	7.0
390.18588	7.5
391.14493	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14822	1.3
51.98464	1.3
55.01865	4.0
57.03441	1.6
61.02915	1.8
69.03416	4.6
70.06580	4.0
71.47297	1.8
72.08098	1.6
79.05492	5.6
81.03426	1.9
84.04459	1.6
85.02905	15.3
91.03993	1.6
91.05481	6.1
93.07045	1.3
94.04160	1.6
95.05016	2.6
97.02888	5.2
103.05457	6.3
105.07031	47.9
107.04923	3.7
108.68865	1.4
109.02904	1.8
109.06495	2.1
115.05450	10.6
118.04174	3.9
119.04955	6.5
121.06506	5.8
122.03654	4.1
123.08065	2.2
124.07564	2.5
127.03915	4.3
129.10298	1.5
131.04926	3.1
133.06499	46.4
137.05984	82.8
138.06300	1.5
143.05043	1.5
143.06047	5.1
145.04939	2.7
146.07230	3.2
147.04369	2.6
149.05962	8.1
151.03954	1.6
151.07542	13.4
153.05504	3.0
161.05986	100.0
165.05467	3.3
167.06943	3.6
168.07729	2.3
177.05495	1.5
177.09122	5.7
179.06958	2.3
180.08690	2.0
185.51564	1.3
189.09140	2.2
193.08614	70.7
201.08989	1.4
205.02039	1.2
210.15744	2.3
211.06039	2.7
211.09673	13.3
212.12782	1.6
219.10150	1.3
228.12013	1.9
237.11102	1.7
262.09720	1.4
266.49475	1.6
291.10266	1.5
305.11685	7.1
306.12527	1.6
323.12769	3.2
337.14282	5.0
355.15488	13.9
373.16495	7.3
373.64618	1.4
390.18381	9.3
391.15524	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88934	0.4
53.51712	0.4
55.46952	0.4
66.04710	0.5
69.53761	3.1
77.36781	0.4
91.05485	1.3
94.04183	1.8
113.83194	0.5
116.33926	0.4
117.07002	0.6
121.06484	3.3
122.03657	5.6
125.94261	0.5
131.04951	0.6
137.05981	100.0
138.06358	0.7
145.06473	0.9
146.07294	2.6
147.08047	0.6
149.05960	4.3
149.07037	0.6
151.07539	10.2
162.06786	0.7
165.05511	1.9
174.06776	0.7
177.05475	1.8
177.09100	9.8
179.07060	1.1
189.09105	1.4
191.10680	0.9
201.09081	1.3
205.08623	0.6
208.61156	0.5
213.86757	0.4
217.08572	0.6
219.10229	1.0
226.38570	0.5
231.08055	0.6
237.11160	4.2
245.09711	0.8
259.07648	0.6
261.09186	0.7
262.09967	1.0
263.10681	0.7
264.21786	0.4
273.09106	0.9
274.09842	1.6
275.07407	0.5
275.10590	0.8
277.12317	1.8
279.10278	0.6
290.09412	1.6
291.10159	1.4
295.13370	1.8
305.11703	12.5
306.12302	0.9
322.12125	1.0
323.12772	6.3
337.14291	5.9
355.15424	15.6
373.16537	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39523	0.3
59.61340	0.3
65.03940	0.5
79.05495	0.4
89.25610	0.3
91.05480	1.1
94.04190	1.4
98.21489	0.8
107.04965	0.6
109.06560	0.3
115.05488	0.4
117.07008	0.6
119.04955	0.5
121.06501	3.7
122.03661	5.1
129.07051	0.3
131.04964	0.5
136.05247	0.8
137.05991	100.0
138.06337	1.3
145.06503	1.2
146.07260	2.4
147.04437	0.3
147.08052	0.6
149.05995	4.1
151.03941	0.3
151.07562	10.6
159.08084	0.4
161.06102	0.3
162.06737	0.7
165.05490	2.2
167.07069	0.3
175.07530	0.4
177.05519	2.9
177.09128	9.2
179.07071	1.3
181.05022	0.3
182.05339	0.3
187.07516	0.5
188.08221	0.3
189.09120	1.2
191.10699	1.0
201.09116	1.0
204.14760	0.3
205.08586	0.6
217.08665	0.7
219.08115	0.4
219.10234	0.8
231.07956	0.4
235.11362	0.4
237.11201	3.4
245.09702	1.0
246.10487	0.4
247.07591	0.6
251.94801	0.3
259.07690	0.4
261.09180	0.4
262.09967	0.7
263.10721	1.1
273.09146	1.0
274.09921	1.2
275.07254	0.4
275.10519	0.6
277.12323	1.1
288.22305	0.3
290.09387	1.1
291.10202	1.2
295.13297	2.7
305.11755	10.5
305.49673	0.3
306.12408	1.2
307.09763	0.3
322.12045	0.5
323.12854	6.3
324.86334	0.3
327.16013	0.3
337.14429	5.9
355.15442	16.6
373.16510	11.3
373.21277	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	390.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98111	0.7
55.01867	1.3
56.96566	5.9
57.03437	2.0
61.02926	3.6
65.11483	0.8
67.05499	2.1
69.03417	3.8
69.66144	5.3
70.06603	1.2
73.02909	3.2
79.05505	4.7
81.03406	2.0
81.07050	1.6
84.04490	1.4
85.02909	10.4
89.03937	2.0
91.05487	3.8
93.07044	1.6
94.04193	1.5
95.04942	1.1
95.08634	1.2
97.02892	4.8
98.97598	12.4
99.04446	1.1
99.97947	0.9
103.05471	0.8
105.07024	1.9
107.04955	1.9
109.02899	1.4
109.06494	1.8
110.97591	2.2
112.99181	0.8
116.98626	3.8
117.03345	1.5
119.01913	2.3
119.04951	1.9
121.06487	6.5
122.03650	4.8
123.08096	1.7
124.99155	1.1
125.02347	3.5
127.03918	3.0
128.02312	1.7
128.98636	2.3
131.01830	0.9
132.10184	0.9
135.04388	1.8
137.05984	100.0
138.06357	1.9
139.07561	1.0
143.00197	1.4
143.01877	1.4
143.03447	4.4
145.02824	1.5
145.04945	1.6
146.07280	3.2
146.99696	1.0
147.04398	3.4
149.05959	5.7
151.07532	13.1
158.99614	4.5
161.01305	1.2
162.06682	1.2
163.03912	13.6
165.05484	3.7
167.00191	1.1
167.07030	1.5
170.99663	0.8
172.05600	2.4
173.01378	1.0
174.06749	1.0
175.07550	1.9
177.00737	2.6
177.05519	2.6
177.09105	8.2
179.07002	1.6
180.05508	1.1
182.08131	1.5
186.99039	1.1
187.07654	1.1
187.54491	1.0
189.00677	1.4
189.09113	2.5
191.03841	1.6
191.10768	1.4
193.04985	1.2
197.01181	1.5
200.04459	1.9
200.54608	1.3
201.00644	1.4
201.09218	1.6
205.08586	1.3
209.55344	0.9
211.05945	1.6
213.03253	1.2
219.01758	2.0
219.10109	1.7
223.02948	0.9
229.07198	1.3
233.03351	1.1
237.02844	2.6
237.11244	3.3
249.02733	1.3
259.04892	1.2
263.10675	1.1
270.07294	1.3
274.09839	1.4
277.12067	1.4
284.08435	2.1
285.08035	1.6
288.08398	2.3
290.09265	1.4
291.04004	1.5
291.07303	1.5
294.05902	1.6
295.13348	2.0
305.11740	11.0
306.12567	1.4
323.12778	4.9
337.14429	5.8
355.15472	15.5
373.16446	9.5
384.97772	1.0
390.16736	1.4
398.86127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84192	1.3
55.01868	1.6
55.05511	5.2
57.10234	1.5
67.05495	2.8
69.07072	7.3
70.85880	4.2
71.04986	6.6
79.05491	3.8
80.18234	1.3
81.07078	9.4
83.08621	2.2
85.02902	5.0
91.05489	9.9
91.68309	1.4
93.07050	3.7
95.08624	7.5
105.07047	19.7
107.08601	18.7
109.10169	2.1
117.07064	4.1
119.01357	1.5
119.08595	100.0
120.08977	1.5
121.10162	3.0
122.03670	3.0
123.11630	2.4
127.03927	2.7
131.04944	3.0
133.10149	16.5
137.05983	33.7
137.06967	2.7
138.06322	4.1
147.11676	2.8
151.07524	3.6
152.04358	1.9
163.07463	2.2
167.07068	8.5
168.07445	7.3
175.14828	67.6
179.06891	1.9
182.05315	2.0
215.09050	1.9
233.10091	1.7
305.11703	3.8
323.12775	2.0
354.39078	1.5
355.15439	3.4
372.15219	6.4
373.16403	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	391.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01894	1.4
56.93314	0.5
56.96569	0.5
57.03441	1.3
58.50523	0.5
58.65358	0.5
68.99798	1.0
69.03437	5.6
70.17754	1.2
70.18107	1.4
71.01357	1.3
71.05006	1.1
73.02903	1.2
81.03429	7.5
85.02914	9.4
87.00832	5.0
89.85153	0.5
91.03969	1.0
97.02901	30.3
98.20907	0.7
98.97598	0.7
99.04480	1.9
105.01888	2.3
109.02888	4.9
110.97614	0.7
117.01855	0.9
125.02366	100.0
126.02718	0.8
127.03925	6.8
129.01961	0.6
130.96872	0.5
137.05930	1.4
143.03412	99.5
144.03722	0.7
145.05014	3.3
149.02432	0.7
159.02881	3.9
163.03946	1.1
231.05089	0.8
237.25308	0.5
327.04056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1237
Annotation	Monotropein
Peak:m/z	Relative Intensity
53.03938	2.2
55.01867	2.1
57.80340	1.1
65.03934	1.9
67.05510	13.2
69.84489	6.3
71.01342	4.1
79.05500	8.8
81.03418	2.8
81.07079	7.9
85.02919	1.7
91.05489	36.2
93.03376	2.2
93.07067	9.9
95.04969	10.5
99.00848	1.4
103.05457	5.3
107.04958	2.0
109.02860	5.1
109.06520	7.9
111.04462	1.4
119.04954	65.0
121.06509	19.8
123.04439	5.4
127.03902	1.9
137.02373	1.9
137.05997	37.5
138.06293	5.5
141.05498	1.4
143.03395	2.1
145.06448	1.8
147.04419	62.4
149.02333	10.6
149.06006	15.5
153.05495	2.4
165.05502	51.4
165.06905	2.7
167.07034	5.3
175.03918	8.0
183.06551	33.3
193.04991	28.3
201.05658	1.3
211.06032	95.2
229.07091	100.0
297.22214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1237
Annotation	Scandoside
Peak:m/z	Relative Intensity
53.03936	3.2
53.45517	1.2
53.61312	0.9
54.30843	1.0
55.01863	2.6
55.05507	1.3
55.45832	1.1
56.72078	1.0
57.03421	3.3
58.60153	1.1
60.93168	1.0
61.64785	1.1
65.03938	1.2
67.05510	15.2
69.03421	2.6
69.20998	9.4
69.53881	1.0
70.06570	2.4
71.01356	6.2
71.04979	3.6
72.64962	1.0
72.69719	1.0
73.02908	1.5
79.05495	14.3
81.03403	3.7
81.07057	9.3
83.04980	2.1
84.04496	1.1
84.08121	2.1
85.02931	5.7
86.09689	3.9
91.04907	1.9
91.05486	38.9
93.07050	19.1
95.04985	6.0
97.02858	2.0
97.06537	1.5
98.20738	2.0
99.04432	5.0
102.05549	1.7
103.05468	10.7
105.07015	1.5
106.07389	1.0
107.04961	1.9
107.08610	2.1
109.02856	3.5
109.06506	5.8
109.81026	1.3
110.48962	1.2
117.05502	6.6
117.41001	1.0
119.04954	33.6
119.05783	2.1
121.05682	1.8
121.06516	33.5
122.03642	1.4
123.04430	9.4
125.02448	1.5
125.05989	2.2
125.09628	5.1
127.03910	3.6
130.04984	4.5
131.04922	3.3
133.02838	1.4
133.06435	1.1
134.03613	1.1
137.05989	67.2
139.07547	3.9
141.05431	1.7
143.10660	3.2
145.05013	1.5
145.06522	1.1
147.03238	1.7
147.04420	28.3
149.02368	11.5
149.05984	24.5
151.07527	1.9
153.06955	1.3
161.05952	3.6
162.06255	3.1
163.06036	1.5
163.07454	1.2
164.07068	1.7
165.05482	19.5
167.03409	1.7
167.07062	26.6
175.03914	4.6
177.05481	1.5
179.06987	3.2
181.06554	1.6
182.42989	1.0
183.06534	7.1
191.07051	2.2
193.04979	51.5
194.08925	2.0
195.08122	1.1
207.06592	1.7
211.06020	100.0
213.09155	1.4
219.06473	1.4
229.06989	3.1
233.09184	1.4
237.07437	1.6
241.08643	1.8
253.08412	2.1
262.14401	11.4
273.11322	5.2
285.11179	3.4
299.09225	2.7
307.50098	1.1
311.09213	1.5
325.10767	2.4
326.10379	1.1
329.10178	3.1
343.11609	1.6
345.12900	1.2
355.10339	3.5
373.11652	1.7
391.15509	44.8
392.17026	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	391.336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72530	1.1
55.05500	5.0
57.07061	3.3
60.43988	1.1
63.17797	1.1
66.34250	1.1
67.05508	7.7
69.07073	11.5
69.28450	2.2
69.28854	8.6
71.08630	1.9
79.05486	5.3
81.07065	23.9
83.08619	4.0
87.21883	1.1
87.46478	1.2
91.05477	5.3
93.07049	13.2
95.08610	34.3
97.10177	2.8
105.07034	15.9
107.08587	15.2
109.10168	15.1
117.07012	2.1
119.08584	22.7
121.10147	12.3
122.03665	2.0
123.11710	8.7
129.07043	2.1
131.08595	8.4
133.10144	12.0
135.11700	9.1
137.05981	27.5
137.13258	8.6
138.06332	17.8
140.70473	1.1
141.06950	1.3
142.07762	1.3
143.08563	5.9
145.10127	17.7
147.11705	8.1
149.02354	13.7
149.13274	6.7
151.07556	2.8
151.14708	1.1
152.07875	1.8
155.08572	3.8
156.09286	1.5
157.10133	10.3
159.11708	12.2
161.13254	8.7
163.14825	7.0
167.03455	1.7
169.10135	4.0
171.11713	11.3
172.12347	1.6
173.13289	8.9
175.14806	12.9
177.09116	1.4
177.16423	4.1
178.09468	2.1
181.10115	1.7
182.10977	1.5
183.11728	6.4
185.13269	10.0
187.14818	14.7
189.16393	8.1
191.17923	3.1
197.13327	5.9
199.14856	7.8
201.16415	7.8
203.17973	3.4
211.14850	12.1
213.16403	14.7
215.17958	1.9
217.19479	2.3
225.16492	5.6
227.18002	5.7
229.19536	4.5
237.16415	1.6
239.17943	9.3
241.19481	7.9
243.21074	2.1
251.18178	1.5
253.19505	15.1
255.21104	6.5
267.21118	10.2
269.22736	6.6
275.80618	1.3
279.21042	2.8
281.22562	2.6
293.22601	2.4
294.71558	1.3
295.24155	7.2
306.12030	4.2
307.24341	1.7
321.25705	3.1
324.13141	2.7
335.27158	1.5
338.14700	2.0
348.28043	2.5
349.29022	1.4
356.15741	7.4
365.91296	1.3
374.16803	4.7
391.33594	100.0
392.34012	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	392.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01858	3.3
55.05518	2.4
57.03439	2.7
61.02920	1.9
65.03939	3.9
65.23687	1.3
67.05508	100.0
69.03429	12.4
69.33575	1.4
70.83087	2.1
70.83411	2.0
71.04990	2.4
73.02910	2.8
79.05492	2.1
81.03412	9.6
81.07059	11.7
85.02907	47.1
87.00839	16.8
91.05485	1.7
97.02893	19.6
99.04470	8.2
105.01866	36.9
105.07081	1.6
107.08623	1.9
107.26498	1.5
108.04468	1.8
109.02897	11.9
109.10162	64.2
115.32003	1.4
126.05582	1.9
127.02985	2.2
127.03915	35.6
137.05980	6.5
138.06287	2.5
145.04961	20.4
159.02893	6.5
189.03925	2.2
213.03989	1.7
220.99702	1.5
231.04996	14.9
249.06049	5.3
328.27103	1.6
355.85406	1.6
377.79382	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32269	0.7
51.30733	0.9
53.03946	1.9
55.01870	3.8
55.05508	3.2
57.03436	3.2
61.02927	1.3
62.11111	0.7
65.03932	4.0
65.33549	0.7
67.05513	100.0
68.44615	0.9
68.50292	0.8
68.99801	1.0
69.03442	16.4
69.07050	1.1
71.04996	1.5
71.51917	1.6
73.02922	3.1
79.05502	2.3
81.03429	13.0
81.07070	13.6
85.02916	43.0
85.20588	0.8
87.00309	1.4
87.00838	20.3
87.01361	1.5
91.03973	0.8
91.05492	1.3
93.07081	1.0
94.47086	0.8
95.04966	1.0
95.08631	1.2
97.02903	19.2
97.06554	0.9
99.04474	6.7
105.01880	43.1
105.07066	1.2
107.08617	2.1
108.04491	2.5
108.65372	0.8
109.02895	11.2
109.10169	72.8
127.03933	34.1
129.01872	1.0
137.05975	2.0
145.04979	21.7
147.02892	1.3
157.33830	1.0
159.02896	7.5
189.04005	2.7
204.16084	0.9
213.03918	1.9
217.12187	1.3
230.06570	1.0
231.05014	12.9
248.07758	1.4
249.06097	5.4
272.39307	0.9
313.58957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.9
52.61369	1.5
53.03951	8.1
54.99426	1.4
55.01880	28.0
57.03436	6.0
59.79502	1.8
65.03929	4.5
67.05502	7.6
68.02697	1.9
68.99785	2.8
69.03432	37.8
70.06591	3.7
71.01376	2.1
71.04972	2.9
71.51389	1.5
72.08168	7.9
73.02903	3.1
79.05506	25.5
81.03425	11.2
81.07065	16.5
83.01341	4.3
83.04978	4.9
84.08137	6.4
85.02924	10.7
86.09715	2.8
87.00821	3.9
91.05495	31.6
93.03387	2.2
93.07057	10.6
95.04984	21.0
97.02910	28.9
97.06563	2.7
99.04409	3.0
100.16388	2.0
101.02370	5.1
103.05463	4.6
105.04494	2.5
105.07069	10.1
107.04970	39.0
107.08617	2.3
109.02885	5.5
109.06500	17.8
109.10171	2.4
111.04433	5.3
113.02354	5.1
115.03944	3.3
115.05465	8.1
116.06200	2.7
117.07007	9.5
118.06554	2.1
119.04944	13.4
119.07310	2.0
121.02870	4.8
121.06516	29.1
123.04446	10.9
125.02370	33.4
125.06032	7.8
127.03931	7.0
128.06238	4.0
129.01854	3.6
129.07016	3.4
129.10202	4.0
131.04933	5.7
131.08611	8.7
133.06485	11.2
135.04417	5.5
135.08055	5.6
136.05179	1.6
136.69626	1.6
137.02332	1.7
137.05994	100.0
139.03912	3.0
141.06987	5.2
142.46782	1.7
143.03395	22.9
144.05698	2.5
145.06483	6.6
147.04408	6.8
149.02364	1.7
149.05969	9.0
151.03923	6.5
151.07524	6.7
157.06483	3.0
159.08092	9.0
161.05988	5.4
163.03889	4.8
163.07558	19.9
164.07080	32.4
165.05542	3.9
167.07077	3.7
169.06462	4.7
171.02890	5.0
171.07993	1.9
173.05968	8.1
175.07664	3.7
177.05496	3.3
177.09093	4.1
179.07079	3.8
184.09726	5.6
185.06035	1.8
187.07532	14.9
189.09074	1.6
191.06950	2.5
193.08528	1.8
199.07610	2.2
205.08617	20.5
215.07031	16.6
216.07497	2.1
217.08553	2.8
221.08107	2.0
225.03923	2.6
230.10292	2.8
233.08131	9.7
237.09494	3.1
259.08313	6.9
275.09088	2.4
329.10098	2.0
369.97296	1.7
375.10715	2.6
375.16550	1.7
393.11899	8.2
393.16983	49.5
393.25131	3.5
413.93311	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01872	2.7
55.05518	2.5
56.96568	27.3
57.03448	10.1
57.07079	9.5
60.95857	6.2
61.02934	9.3
67.05498	10.2
69.03434	22.0
70.06577	2.6
71.51563	2.6
71.95280	2.7
72.08154	8.8
73.02928	10.0
79.05505	10.4
81.03414	8.5
81.07074	3.5
83.01335	1.9
83.05013	2.1
84.04533	3.5
84.08154	5.2
84.96046	7.8
85.02908	38.0
85.06557	5.3
86.09747	1.8
87.04481	5.3
89.03920	5.0
91.03964	4.4
91.05492	10.5
93.07035	4.4
94.89297	2.1
95.08605	7.0
97.02897	24.9
98.97591	100.0
99.04440	3.0
99.97877	2.1
102.96923	2.5
103.05508	2.3
105.07016	7.2
107.04964	3.8
109.02884	6.4
110.97570	18.4
112.99121	5.1
115.03976	1.7
116.98621	34.4
117.03371	3.3
117.98977	2.3
118.06548	6.3
119.01836	2.6
119.04977	10.6
119.05772	1.7
119.07324	3.9
121.06489	9.7
123.08105	10.9
124.99159	3.3
125.02357	12.6
126.02714	5.2
127.02842	3.5
127.03925	10.1
128.98608	17.4
130.05005	3.8
131.00203	4.5
131.04987	2.0
134.99649	6.5
135.04428	7.9
137.05980	34.0
141.09088	5.0
143.00159	10.0
143.03436	12.9
144.03757	2.5
144.98091	3.0
145.02800	3.9
145.03857	8.1
145.04953	4.4
146.99655	5.7
147.04419	18.1
149.05983	10.5
150.09207	2.3
152.98717	2.3
156.07159	2.0
158.99675	28.5
159.03223	2.0
161.01277	9.3
161.02538	1.9
161.04785	3.8
163.03900	27.9
164.04305	11.7
164.05676	3.7
164.07083	60.4
165.05536	2.8
165.07407	6.6
167.07051	26.0
170.03419	3.8
170.99698	9.0
171.03188	2.7
173.01364	1.8
177.00740	23.0
177.02191	3.3
177.05527	10.9
179.00288	2.7
179.06978	9.6
180.05481	10.4
180.55510	2.9
182.03398	3.5
184.03830	2.1
184.09746	7.5
185.04932	3.4
189.00771	5.9
189.04169	9.8
189.05997	8.8
189.56242	2.1
191.03915	12.3
191.05365	2.0
197.01317	3.7
197.05058	3.9
197.08234	3.7
199.06361	2.8
200.04445	7.2
201.00751	7.2
201.04253	3.0
203.05943	3.9
207.05231	5.1
208.04903	2.4
209.08159	3.5
213.04402	2.6
214.04971	5.6
215.05963	3.5
217.05615	3.0
219.01799	45.8
219.05115	2.8
223.05452	12.7
223.55667	3.0
224.04367	2.4
230.10313	3.1
231.01945	2.0
231.05875	3.1
232.05936	4.5
233.06769	86.1
233.56924	9.0
235.02829	4.6
237.02815	38.9
237.06348	4.9
239.05913	9.3
242.07306	10.1
243.01715	2.3
243.05397	2.0
243.11290	2.6
249.02708	3.8
253.03798	5.2
253.58133	4.3
257.06982	5.6
261.02856	12.7
261.08203	26.4
261.12311	20.9
261.58377	4.7
265.03931	6.8
270.08594	5.3
271.04587	2.6
272.08682	2.3
273.04166	2.9
275.07870	2.6
277.06018	2.1
279.03839	34.6
280.07086	8.4
283.04932	5.1
285.02957	6.6
290.15878	3.6
293.59610	2.2
295.07397	13.7
295.57788	6.4
303.03915	5.2
303.07715	4.5
304.08231	2.6
304.58493	3.7
312.08554	51.8
312.11661	8.7
312.58768	7.1
313.11957	2.2
314.11102	4.1
317.08856	3.0
321.04999	26.7
321.08517	3.6
325.06003	2.5
327.03946	8.3
328.04309	2.8
335.10086	4.5
345.05042	2.3
351.11407	8.8
359.10153	5.7
360.10541	2.5
363.10034	2.5
369.04883	3.6
374.62427	3.3
377.11154	7.2
392.63422	2.4
393.11276	26.8
393.16788	60.6
393.22275	3.1
393.60895	8.7
394.16559	2.7
415.09109	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	393.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55576	0.4
55.01849	0.5
56.74858	0.4
60.61980	0.4
67.05475	1.6
68.05002	1.8
69.03397	0.6
69.46858	2.9
73.02899	0.9
78.27803	0.5
80.81296	0.4
81.03398	0.5
83.04981	0.4
85.02877	1.7
87.00832	0.5
93.07062	0.5
96.18539	0.5
97.02880	0.7
97.06528	0.4
98.87925	0.4
99.04376	0.5
100.51843	0.4
101.90369	0.4
106.69917	0.4
109.02871	0.4
109.10142	1.8
125.05978	1.5
127.03899	0.8
130.05017	1.0
137.05919	0.6
140.03389	1.0
149.04559	0.5
150.09093	0.9
151.03922	3.2
151.05016	0.6
166.07224	0.6
168.24155	0.4
172.05997	1.0
175.41281	0.4
179.06975	1.1
189.10051	0.4
197.08104	1.9
201.06435	1.3
202.07234	1.7
203.07991	1.3
204.08803	7.3
215.08092	2.2
216.08810	100.0
217.09509	3.1
218.10367	4.5
225.06456	9.6
226.07274	2.9
227.07979	1.3
228.08803	0.9
229.09592	1.1
230.10376	10.1
231.05168	0.6
240.08806	56.4
241.09413	2.9
242.10400	0.7
246.09848	7.2
258.09879	2.9
268.08264	4.6
270.09988	0.5
272.11435	4.0
283.09366	0.9
286.09216	0.4
295.38730	0.5
300.10913	55.1
301.11276	0.9
311.08862	1.0
315.12030	0.7
333.13153	3.0
343.11575	2.7
361.12582	5.6
375.14133	7.1
393.15195	38.9
393.19360	1.7
394.15182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1887
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
53.03944	0.6
55.05504	0.8
67.05521	1.5
69.03442	0.9
69.62941	1.3
69.63362	1.7
71.04973	0.8
79.05498	1.0
81.03424	1.3
81.07065	3.1
83.04985	0.6
83.08642	0.7
83.43060	0.5
85.02917	0.9
91.05514	0.5
93.07043	1.5
95.08624	1.2
97.06522	1.3
105.07047	0.7
107.04975	0.7
107.08619	0.9
109.10193	1.2
119.08613	0.8
124.22787	0.5
127.03900	0.7
127.11165	0.6
133.10136	0.4
135.11736	0.6
149.13286	0.9
154.76677	0.5
159.11703	0.9
167.14340	0.8
177.12801	0.9
195.13753	4.1
195.17531	0.7
197.79042	0.5
211.13356	0.5
213.14844	3.3
213.18549	1.8
393.18869	100.0
394.19028	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	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75669	2.3
51.02394	2.8
52.58929	2.3
53.03939	9.2
55.05513	18.0
57.07079	9.9
59.04997	3.9
62.79964	1.8
65.03947	3.2
67.05512	32.2
69.03430	4.2
69.07072	19.5
69.98257	8.5
71.08604	2.1
77.03938	3.2
78.68654	2.0
79.05498	41.8
81.07066	69.2
83.04995	4.6
83.08626	5.9
84.67805	1.8
85.06541	5.6
90.79301	1.9
91.05492	55.0
91.61494	2.0
93.07053	83.6
95.04977	55.1
95.08620	60.2
97.06531	10.7
97.10155	3.4
103.05482	4.3
105.04560	5.3
105.07039	97.8
107.04951	2.9
107.08604	54.2
109.06522	14.6
109.10163	34.0
115.05466	5.7
116.06284	2.7
117.07030	22.2
119.08595	100.0
121.06516	23.7
121.10162	40.0
123.08091	3.9
123.11726	13.5
128.06248	12.3
129.07027	15.0
130.07794	9.8
131.08572	41.8
133.10146	55.1
135.08072	5.5
135.11696	22.4
137.09634	5.2
139.11130	2.5
141.07004	7.3
142.07799	24.3
143.08574	38.9
144.09335	11.2
145.10138	63.3
146.07281	2.9
147.08078	3.9
147.11690	24.6
149.09642	4.0
149.13232	5.3
154.07777	6.1
155.08539	12.9
156.09373	17.5
157.10143	59.5
158.10904	6.5
159.08064	7.5
159.11705	49.7
161.09662	19.6
161.13260	9.9
163.11272	3.5
165.07028	4.0
166.07837	2.6
167.08589	8.1
168.09367	6.1
169.10158	20.9
170.10922	6.4
171.11696	24.8
172.12505	5.3
173.09622	4.4
173.13281	21.8
175.11188	11.1
175.14862	14.3
179.08565	6.6
180.09338	4.6
181.10109	8.7
182.10959	4.6
183.11705	20.9
185.13307	12.3
186.14056	3.6
187.11223	8.7
187.14894	14.7
189.12680	3.2
193.10146	4.7
194.10913	6.2
195.11650	13.4
197.13261	14.3
199.11200	3.6
199.14886	9.9
201.12775	3.8
201.16403	7.8
207.11740	5.6
208.12514	2.5
209.13264	15.8
210.13997	2.9
211.14940	10.9
213.16414	6.2
217.15886	2.9
221.13251	6.5
222.14079	2.2
223.14731	7.0
223.23833	2.2
224.15599	2.7
225.12758	3.0
225.16461	6.4
235.14886	4.3
237.16496	3.9
241.19504	4.1
247.14944	3.0
249.16307	3.3
251.17940	2.8
253.15982	4.2
253.19496	4.9
262.28885	2.4
263.17929	4.2
265.19513	6.1
269.43283	2.0
271.20593	3.1
281.19125	2.9
283.20557	2.6
295.20639	2.4
375.26804	7.2
393.27731	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	393.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05508	5.6
57.07068	4.6
58.74304	0.7
61.36087	0.7
67.05510	12.3
69.07068	14.4
71.08622	2.0
71.52632	0.9
71.53033	0.7
79.05485	6.0
81.07061	39.9
83.08620	6.5
89.06007	0.8
91.05468	5.3
92.48408	0.7
93.07048	16.8
95.08611	61.8
97.10155	3.3
97.93095	0.7
105.07028	13.2
107.07882	1.3
107.08598	26.5
107.24894	0.7
109.10162	22.0
111.11694	1.0
117.06978	1.6
119.08581	20.6
121.10146	19.2
123.11707	10.9
129.06996	2.7
131.08565	7.0
133.10141	10.1
135.11694	9.3
137.13260	17.4
139.09665	0.7
143.08548	8.3
145.10127	9.3
147.11696	8.2
149.13264	36.5
151.14778	1.7
157.10123	4.8
158.10919	0.9
159.11710	10.5
161.13261	6.2
163.14816	23.4
171.11685	4.3
172.12500	1.0
173.13283	10.1
175.14838	13.5
177.14894	0.7
177.16393	18.3
179.18015	1.3
183.11699	1.0
185.13252	2.8
186.14000	0.8
187.14827	12.3
189.16383	7.5
191.17944	4.4
195.12354	1.2
199.14822	7.8
201.16402	6.4
203.17963	10.5
205.19455	1.3
213.16393	34.1
214.16986	1.4
215.17960	31.4
217.19598	3.7
227.17957	8.2
229.19492	6.1
231.21040	4.2
241.19525	17.8
243.21068	12.8
255.21101	21.0
257.22723	3.1
269.22647	7.3
295.89557	0.8
297.25690	1.0
323.27277	2.7
337.28705	1.1
351.30441	1.7
376.26099	1.0
393.35162	100.0
394.35599	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	393.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
54.88791	1.2
55.05504	8.0
57.07059	4.9
67.05502	14.1
69.07073	15.0
69.54959	4.4
69.55367	3.3
71.08627	1.2
79.05494	8.4
81.06598	2.2
81.07061	40.6
83.08619	8.1
89.06033	2.9
91.05484	6.4
93.07043	20.2
95.08614	65.7
97.10162	4.1
105.07040	19.5
107.08598	30.4
109.10164	31.1
111.11728	1.8
117.07026	2.5
119.08589	23.3
121.10140	24.0
123.11711	13.6
129.07053	1.8
131.08585	5.9
133.10139	18.1
135.11688	17.5
137.13271	9.9
143.08598	5.4
144.09216	1.4
145.10141	14.0
147.11714	17.0
149.13268	24.6
151.14789	2.1
157.10106	4.9
159.11711	19.2
160.12308	1.5
161.13242	11.2
163.14839	13.5
164.96417	1.3
165.16412	2.2
171.11713	7.6
172.12622	1.3
173.13257	8.9
175.14853	15.8
177.16397	16.6
185.13264	5.0
186.14032	1.2
187.14874	11.3
189.16371	9.3
191.17928	8.6
195.12335	2.3
199.14914	3.9
201.16418	10.8
203.17992	18.8
213.16360	10.5
215.17970	17.5
217.19583	4.7
227.17999	9.2
229.19594	7.8
231.21092	5.3
241.19495	12.7
243.21095	15.4
255.21120	18.2
257.22650	4.5
269.22571	7.7
271.24240	1.5
283.24274	2.0
297.25787	4.5
309.25735	1.8
323.27438	1.7
337.29129	2.1
346.28091	1.3
347.06442	1.3
351.30560	1.7
376.26199	2.7
393.35193	100.0
394.35626	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	393.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.0
57.07065	4.7
65.67898	1.2
67.05512	13.2
69.07073	17.5
69.23730	11.8
71.43740	1.3
79.05487	6.0
79.07672	1.2
81.07062	36.8
83.08625	5.7
89.05977	1.8
91.05459	6.7
93.07052	15.7
95.08614	54.9
97.10175	3.5
98.21516	3.2
101.44092	1.5
105.07036	13.3
107.08602	27.5
109.10178	27.8
111.11686	2.1
115.42224	1.3
117.07030	2.0
119.08597	24.2
121.10150	23.3
123.11700	14.9
131.08566	8.1
133.10159	16.3
135.11693	16.7
137.13245	8.8
143.08499	2.7
145.10133	14.6
147.11681	13.9
149.13277	20.9
150.02658	1.7
151.14824	3.6
157.10136	5.4
159.11710	15.5
161.13176	7.0
163.14854	9.9
171.11665	8.1
173.13280	9.0
175.14841	6.3
177.16417	7.8
185.13275	3.8
187.14825	12.4
189.16385	12.1
191.17973	5.9
199.14865	3.4
201.16402	10.1
203.17984	14.0
213.16396	4.8
215.17912	8.8
217.19562	5.1
227.17979	4.7
229.19466	6.6
231.21046	3.3
241.19513	6.2
243.21114	13.8
255.21144	9.1
257.22772	7.2
269.22632	13.6
271.24173	1.7
295.24405	1.6
297.25793	5.0
297.43448	1.5
323.27261	2.9
337.28305	1.3
351.30582	4.0
376.26080	2.8
393.35178	100.0
394.35641	2.9
414.53366	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.3
55.05494	2.3
66.67419	1.1
69.03421	1.7
69.48293	8.2
70.06580	5.0
72.08167	10.7
72.65544	1.1
81.03379	1.2
81.07062	10.8
84.04517	3.1
84.08132	1.7
85.02891	3.6
86.09708	2.2
91.05464	1.9
93.07062	1.6
102.05550	1.2
103.05408	1.2
107.08607	1.8
109.06527	8.0
109.10166	2.0
111.08038	1.1
120.08106	7.5
125.05966	7.5
127.03883	2.9
133.10118	2.9
137.05988	100.0
137.09647	4.2
138.06406	1.2
138.34846	1.3
157.75961	1.2
161.09682	6.4
164.07030	3.2
165.07399	1.9
166.08636	3.2
179.09113	2.4
179.10677	47.1
194.42139	1.1
197.11748	67.1
201.12390	3.6
229.11900	2.8
233.16345	1.5
376.17929	1.6
377.16077	1.5
389.59546	1.4
394.18381	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	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01880	4.5
55.05518	7.7
57.03438	5.2
61.02933	7.0
67.05493	2.7
68.99792	2.3
69.03433	37.1
69.07072	47.9
70.66875	2.1
71.05008	4.8
73.02925	5.6
79.63652	0.8
81.03422	21.4
81.07071	1.2
83.01360	1.2
83.04982	1.0
85.02907	100.0
87.00832	49.9
87.04504	0.9
93.07069	1.4
95.08614	1.5
97.02898	38.8
97.06512	0.8
99.04454	12.1
105.01870	91.1
105.07048	1.0
108.04487	3.0
109.02884	25.3
109.10152	1.3
111.04491	1.0
111.11718	10.3
115.03924	2.0
117.01841	2.1
122.27312	0.7
123.11714	1.2
126.05550	1.6
127.03922	79.6
128.14357	2.2
129.01848	3.7
137.34607	0.8
145.04965	48.2
147.02916	2.0
151.11183	1.0
159.02888	12.9
169.63506	0.8
171.02940	1.1
181.32399	0.8
189.03975	4.2
213.03883	3.9
219.13786	1.6
231.05016	29.7
233.15417	1.2
237.14899	1.1
248.07759	1.5
249.06096	15.4
266.08719	0.9
323.14999	1.2
341.16370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01874	7.5
55.05515	6.1
57.03428	5.7
61.02913	5.0
63.08897	1.2
67.05505	1.5
68.99767	1.4
69.03434	35.8
69.04239	1.1
69.07072	30.5
70.82753	2.5
70.83080	1.3
71.04989	5.0
71.49784	0.9
73.02932	5.8
81.03422	25.3
81.07072	1.3
81.70442	1.1
84.12534	1.0
85.02911	100.0
86.96571	1.2
87.00832	45.7
91.03922	1.2
91.05495	1.5
97.02899	33.0
99.04462	14.3
103.03967	1.5
105.01871	78.9
105.06989	1.4
107.48721	1.4
108.04469	3.8
109.02888	29.5
109.10077	1.2
110.57367	1.1
111.11726	4.8
115.03948	1.9
115.85628	1.0
117.01795	2.5
119.04935	2.6
126.05502	2.7
127.03925	78.9
127.36687	1.1
129.01828	2.5
133.30927	1.1
145.04971	43.9
147.02864	2.8
147.04402	8.3
159.02904	16.4
167.70132	1.1
189.03976	3.2
213.03963	3.5
231.05005	28.5
248.07545	1.4
249.06053	9.8
293.47363	1.1
398.63614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0869
Annotation	FL 120B'
Peak:m/z	Relative Intensity
52.15176	0.4
56.96567	11.8
57.03442	0.4
61.02930	1.1
68.96574	0.5
69.03435	1.0
69.72010	2.0
70.98119	0.6
71.95249	0.7
79.05499	2.5
81.03417	0.6
81.07086	0.4
82.98140	0.4
84.96040	4.8
85.02906	3.0
88.99163	0.7
91.05424	0.4
97.02911	1.7
97.96817	0.6
98.20793	0.8
98.97591	100.0
102.96867	0.5
105.00136	0.5
107.00114	0.4
107.08590	2.4
109.06532	0.4
110.97578	20.3
112.99139	7.1
115.00888	0.4
116.98631	21.1
123.01156	0.7
124.99133	8.0
126.97115	0.5
127.03954	0.6
128.98618	12.6
131.00208	4.0
134.99672	3.2
136.99136	1.4
137.05972	0.8
139.00801	0.4
140.00230	0.5
140.98590	2.9
141.02271	0.5
143.00171	11.5
143.01947	0.9
144.98119	0.9
145.01733	0.9
145.03416	0.4
145.04965	0.5
146.99690	4.0
149.01205	0.6
152.98615	1.6
154.96602	0.4
155.00145	3.2
157.01736	0.8
158.99670	42.2
161.01247	5.5
163.02756	0.4
165.00775	0.7
170.05209	0.4
170.99666	8.0
172.05672	0.8
172.97598	0.8
173.01247	3.6
173.02853	0.8
173.04657	0.4
174.99234	0.8
175.02782	0.5
177.00728	19.6
179.02475	0.5
182.99734	1.5
183.03273	0.7
185.01247	11.1
185.02928	0.7
186.99243	0.5
187.02887	0.8
187.04442	0.5
188.97064	0.5
189.00713	4.6
191.02298	1.5
193.00246	0.5
193.03914	0.4
194.99678	3.1
195.01772	1.1
197.01172	3.2
199.02852	1.2
201.00713	13.6
203.02301	5.4
207.01794	0.9
209.01282	1.0
211.02727	0.6
213.00795	0.9
215.02296	3.6
219.01785	74.9
220.02228	1.0
227.02313	0.6
231.01692	0.9
232.99663	0.6
233.03397	2.3
234.05708	0.6
237.02841	49.7
239.02255	0.4
240.02104	0.5
241.03793	1.4
242.03537	0.6
245.03333	6.0
247.01326	0.5
251.00601	0.6
251.04443	1.1
254.09166	1.9
254.59489	0.5
255.03899	1.8
257.03552	2.5
258.81705	0.4
261.02832	14.3
263.04361	0.5
275.01096	0.7
275.04370	4.9
277.05841	0.8
279.03900	37.9
287.04364	2.4
290.06094	0.5
293.05420	4.4
294.05826	1.5
295.07013	1.3
299.04517	0.5
302.05502	0.5
305.05334	6.3
307.06967	0.5
309.05023	0.7
317.05450	4.3
321.04950	19.2
323.06689	1.9
329.11786	1.2
335.06519	39.0
336.06879	0.5
349.09476	1.1
353.07562	20.7
377.07590	0.6
379.12805	0.4
395.08652	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.2
53.03954	1.0
55.05500	0.3
57.03418	0.2
57.07053	0.2
61.02917	0.7
61.03216	0.2
65.03936	1.0
67.01858	1.0
67.05475	0.4
67.20657	0.1
68.99793	0.6
69.03436	2.8
69.07084	0.2
69.72291	0.9
71.04993	0.9
79.05501	0.3
81.03420	4.3
81.07031	0.3
85.02909	2.5
87.00840	0.9
91.05483	10.1
95.05009	0.2
97.02894	2.5
99.04456	1.3
105.01888	0.2
105.07034	0.5
107.04996	0.2
107.08582	0.4
109.02884	6.0
109.10129	0.8
110.73726	0.2
119.04945	24.4
120.05295	0.3
121.10143	0.2
123.04478	0.2
127.03922	4.5
127.11202	0.8
129.01855	0.6
129.06998	0.2
133.10118	0.3
137.05959	0.4
145.06398	0.2
145.10139	0.4
147.04413	100.0
148.04759	1.1
153.01784	0.2
165.05478	2.4
175.07527	0.3
187.07458	0.2
187.11186	0.3
215.10637	0.3
215.16319	0.2
231.06660	0.4
233.11636	0.3
233.15479	0.3
233.17552	0.3
283.76340	0.2
291.08661	2.0
309.09378	0.2
377.08762	0.7
395.09802	3.4
395.14661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.2
53.03954	1.0
55.05500	0.3
57.03418	0.2
57.07053	0.2
61.02917	0.7
61.03216	0.2
65.03936	1.0
67.01858	1.0
67.05475	0.4
67.20657	0.1
68.99793	0.6
69.03436	2.8
69.07084	0.2
69.72291	0.9
71.04993	0.9
79.05501	0.3
81.03420	4.3
81.07031	0.3
85.02909	2.5
87.00840	0.9
91.05483	10.1
95.05009	0.2
97.02894	2.5
99.04456	1.3
105.01888	0.2
105.07034	0.5
107.04996	0.2
107.08582	0.4
109.02884	6.0
109.10129	0.8
110.73726	0.2
119.04945	24.4
120.05295	0.3
121.10143	0.2
123.04478	0.2
127.03922	4.5
127.11202	0.8
129.01855	0.6
129.06998	0.2
133.10118	0.3
137.05959	0.4
145.06398	0.2
145.10139	0.4
147.04413	100.0
148.04759	1.1
153.01784	0.2
165.05478	2.4
175.07527	0.3
187.07458	0.2
187.11186	0.3
215.10637	0.3
215.16319	0.2
231.06660	0.4
233.11636	0.3
233.15479	0.3
233.17552	0.3
283.76340	0.2
291.08661	2.0
309.09378	0.2
377.08762	0.7
395.09802	3.4
395.14661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.70054	0.1
55.72956	0.2
57.03426	0.2
61.02930	0.3
65.03924	0.9
65.68536	0.1
67.01868	0.7
67.05495	0.3
68.99786	0.4
69.03429	3.2
69.07067	0.2
71.04984	1.0
71.18736	0.2
71.19079	0.3
78.49979	0.2
79.05491	0.3
81.03416	4.8
81.03868	0.3
81.07083	0.2
83.04990	0.2
85.02905	2.7
87.00834	0.7
89.61182	0.2
91.05482	10.0
93.07056	0.4
95.08630	0.2
97.02891	2.9
99.04440	1.2
105.07040	0.4
107.05006	0.2
109.02882	6.5
109.10141	0.3
119.04943	23.9
120.05292	0.2
123.04442	0.2
127.03923	4.7
129.01843	0.6
133.10109	0.3
135.08026	0.2
137.05971	0.6
137.13289	0.2
145.04942	0.2
145.06529	0.2
145.10156	0.3
147.04410	100.0
148.04755	0.9
165.05490	2.7
175.07591	0.5
189.09018	0.2
204.84552	0.2
213.03908	0.3
213.09209	0.2
215.10704	0.2
231.06589	0.3
233.11656	0.2
287.27325	0.2
291.08618	2.1
309.09595	0.2
377.08585	1.1
395.09735	4.0
395.14703	0.2
395.20444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62852	0.6
71.19192	1.2
147.04320	0.7
177.05429	0.8
195.93318	0.6
213.35216	0.7
216.51129	0.6
248.73714	0.6
390.03577	0.7
395.14679	100.0
396.15298	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.0
55.01866	5.8
55.05504	6.4
57.03444	4.8
67.05508	12.2
69.03089	2.3
69.03439	31.9
69.07070	4.8
69.20592	13.1
69.21003	5.5
70.06567	2.9
71.05009	10.5
73.02923	2.9
79.05493	20.5
81.03426	31.2
81.07059	24.8
83.04984	18.2
85.02911	12.0
87.04480	2.8
91.05488	25.5
93.07052	41.9
95.04979	27.5
95.08614	7.3
97.02900	15.5
97.06545	15.7
98.21527	3.8
99.04453	20.9
103.05455	2.2
105.07038	74.4
107.04956	11.2
107.08588	23.8
109.02905	14.6
109.06529	21.1
109.10153	2.7
111.04439	5.2
113.05981	2.1
115.05454	3.2
117.07023	18.1
119.04951	5.5
119.08598	22.7
121.06512	20.8
121.10143	12.5
123.04419	5.3
123.08062	3.8
125.06011	12.3
127.03930	30.9
127.07592	4.5
128.06219	4.6
129.06973	9.2
130.07796	8.2
131.08589	29.7
133.06520	12.0
133.10135	7.3
135.04445	5.9
135.08057	9.8
135.11717	13.5
137.06004	13.2
139.07579	2.9
141.06990	2.6
142.07834	3.4
143.07060	5.8
143.08560	16.5
144.09334	7.9
145.05061	3.3
145.06500	8.9
145.10135	100.0
146.10510	2.8
147.04407	7.2
147.08055	10.6
147.11667	4.0
149.09639	7.1
151.07558	8.1
153.05519	2.5
154.07773	4.0
155.08594	5.0
157.10175	8.1
158.07278	5.5
159.08058	10.1
159.11702	43.6
161.06001	2.5
161.09648	8.8
163.07535	6.0
163.11198	27.8
167.07077	2.0
167.08562	2.6
169.10132	12.7
171.08064	4.1
171.11671	2.4
172.08855	3.5
173.09634	44.0
175.07532	2.9
175.11249	3.2
177.12794	5.9
185.09651	3.0
187.09518	4.2
187.11205	85.5
189.09142	5.3
189.12810	5.9
191.10696	34.8
197.09641	7.6
201.12794	2.1
203.10735	4.1
205.12247	39.5
205.14182	2.2
209.11761	8.4
211.11234	2.3
213.09119	2.2
215.10677	59.8
225.12743	2.3
229.12215	3.5
233.11725	47.9
235.89409	1.9
249.11211	2.4
251.12798	18.6
257.11835	2.2
271.13412	3.3
275.12775	3.6
279.12454	2.4
317.13815	3.5
329.13892	2.5
335.15021	3.5
339.08759	2.0
341.14142	2.6
349.16638	6.4
359.15030	7.1
377.16034	19.5
395.17090	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.9
53.03954	8.2
55.01865	5.8
55.05512	8.8
57.03425	4.2
62.56813	1.3
65.03951	2.0
67.05509	16.3
68.90424	1.5
69.03435	27.8
69.07072	8.5
69.42270	12.4
70.06596	3.9
71.01336	1.9
71.05003	12.0
73.02917	5.6
74.76510	1.7
79.05503	24.3
81.02986	2.6
81.03427	31.1
81.07060	28.7
83.04978	17.1
85.02917	15.7
85.06522	3.5
87.04458	1.8
91.05487	30.7
93.07048	36.0
95.04971	27.7
95.08617	10.8
97.02903	14.2
97.06535	13.0
99.04465	17.0
103.05499	2.8
105.04641	2.1
105.07039	77.7
107.04972	11.2
107.08604	28.9
109.02874	14.6
109.06519	21.5
109.10182	3.7
111.04473	8.2
111.08058	2.6
113.05999	2.5
115.05456	4.1
117.07045	17.5
119.04949	9.0
119.08587	23.9
121.06516	22.6
121.10156	11.2
123.04436	4.1
123.08079	4.6
123.11726	1.8
125.06018	12.8
127.03928	30.2
127.07555	4.2
128.06247	4.7
129.07028	8.7
130.07838	7.4
131.08578	26.0
133.06511	12.6
133.10146	10.0
135.04419	5.8
135.08052	7.1
135.11713	12.0
137.05971	14.6
139.07541	2.3
141.05487	2.8
141.06972	2.7
142.07817	3.5
143.07083	6.4
143.08575	14.7
144.09412	7.3
145.04971	3.4
145.06534	9.9
145.10133	100.0
147.04411	12.4
147.08066	11.8
147.11684	6.4
149.06013	3.1
149.09630	8.5
151.07530	8.0
153.05452	2.2
154.07855	2.1
155.07004	1.6
155.08586	3.4
157.10158	8.4
158.07274	4.6
159.08047	13.6
159.11702	37.5
161.05984	4.4
161.09637	10.7
161.13313	2.6
163.07579	5.7
163.11179	30.1
165.09111	2.6
167.08533	2.2
169.10110	9.8
171.08055	7.0
171.11705	2.3
172.08885	2.1
173.09627	44.2
173.11046	3.1
175.07568	7.2
175.11226	2.5
177.09106	2.3
177.12773	4.8
183.07962	2.3
183.11800	3.0
185.06120	1.8
185.09682	5.1
187.11194	89.6
189.09126	5.2
189.12762	4.3
191.10669	32.0
193.08658	3.3
197.09596	7.2
197.18979	2.1
200.64619	1.5
201.09171	2.5
201.12889	2.0
203.10771	4.2
205.08676	1.9
205.12251	40.0
209.11685	8.9
211.11163	2.7
213.09116	3.6
215.08673	3.5
215.10687	60.9
215.20206	2.6
217.08572	3.1
221.08026	1.6
221.11703	3.1
223.13298	3.7
224.14186	1.6
227.10698	3.0
229.12303	4.6
231.10242	2.5
233.11745	41.8
233.15424	2.0
235.09525	1.6
241.08719	1.6
243.10167	1.6
245.11909	2.5
247.13388	2.6
247.80515	1.5
249.11258	1.7
251.12738	11.9
257.11755	4.3
275.12869	2.9
299.12827	3.5
305.14059	2.2
313.14261	3.0
317.13950	2.6
329.13901	2.0
331.15292	2.2
335.14902	4.7
341.14069	2.6
349.16522	5.9
353.15869	2.4
359.14865	7.0
377.15973	19.7
395.17050	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.8
54.01877	1.2
55.01888	1.4
55.05518	4.9
56.32500	1.0
57.03440	4.5
57.07085	1.4
59.05006	2.1
65.03952	2.2
67.05507	13.5
69.03436	17.0
69.07072	5.9
71.05003	13.0
71.51996	2.0
79.05494	9.1
80.17440	1.2
81.03425	34.4
81.07062	17.8
83.04987	3.6
83.08620	3.4
85.02907	10.3
85.06557	3.6
91.05487	17.0
93.07050	26.1
95.04986	16.3
95.08615	15.5
95.58191	1.0
97.02905	7.4
97.06549	7.2
97.10181	3.5
99.04476	10.4
99.08117	2.0
103.05454	1.7
105.07043	46.3
107.04985	1.9
107.08602	29.2
109.02893	29.0
109.06522	16.4
109.10161	19.3
111.08117	3.9
117.07011	2.3
119.04971	4.0
119.08598	25.4
121.06522	3.4
121.10155	20.9
123.04444	1.2
123.08076	6.1
123.11725	4.4
127.02974	2.8
127.03926	57.3
129.06992	2.6
131.08583	23.0
133.06473	1.3
133.09132	1.6
133.10149	29.3
135.04471	2.0
135.08069	6.9
135.11696	3.1
136.08842	1.3
137.05980	5.8
137.09639	2.4
143.08554	2.3
145.10153	11.1
147.04427	15.4
147.10532	1.8
147.11702	36.2
149.06076	1.3
149.09659	12.4
149.13271	35.9
151.07600	1.7
151.11200	19.9
158.10951	5.1
159.11726	1.6
161.05939	1.9
161.13280	20.6
163.11157	6.7
163.14850	6.2
165.97412	1.2
169.10097	1.6
173.13286	23.3
175.07532	3.6
175.14842	1.3
179.14354	14.4
187.06039	31.0
187.07675	2.0
187.11255	2.5
191.14326	63.8
191.21870	1.2
204.08528	1.5
209.15385	100.0
267.75244	1.1
271.33890	1.1
281.08066	1.7
307.09845	1.5
324.09991	2.5
337.10712	2.5
377.13986	3.2
395.14743	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	395.3312
Annotation	Ergosta-5,7,22,24(28)-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03938	1.4
53.68165	1.0
55.05513	6.8
57.07058	3.9
65.15191	1.1
67.05502	10.0
67.86631	1.3
69.07063	12.0
70.06275	1.5
70.96539	3.0
79.05488	7.9
81.07054	22.6
83.08625	5.3
91.05483	33.2
93.07045	19.4
95.04964	1.6
95.08611	30.1
96.23665	1.2
97.10136	2.8
105.07035	20.3
106.06523	2.4
107.08598	27.3
108.08094	4.2
109.06527	1.4
109.10154	15.2
111.08054	1.4
111.11742	1.4
113.47187	1.4
117.07021	5.1
119.08581	20.5
121.10151	14.7
123.11712	4.9
129.06998	3.4
131.08598	12.7
133.09396	1.2
133.10147	12.2
135.11705	9.1
137.13242	2.7
137.58553	1.2
142.07771	1.4
143.08583	7.5
145.10127	16.8
147.11687	14.9
149.13278	15.3
155.08603	1.6
156.49763	1.3
157.10135	8.4
159.11668	11.5
161.13318	7.2
161.14430	1.4
163.11279	1.6
163.14806	17.0
165.12758	12.3
169.10156	3.5
171.11671	10.8
173.13264	16.5
175.14836	13.9
177.16357	3.9
179.14310	4.1
183.11676	4.1
185.13316	6.4
187.14810	11.0
189.16385	11.8
191.14336	1.6
191.17972	3.1
197.13232	2.4
199.14891	7.1
201.16359	7.9
203.17938	5.2
205.15894	6.5
211.14755	3.0
213.16408	9.7
215.17914	18.0
217.19594	2.9
225.16371	2.2
227.17941	12.4
229.19487	11.4
231.20982	1.3
239.17915	8.1
240.17351	1.2
241.19487	24.1
243.21121	15.1
253.19543	6.5
255.21053	13.8
267.21002	2.4
269.22559	2.0
281.22653	3.6
377.27515	2.6
377.32047	27.5
395.14734	3.8
395.33093	100.0
396.28870	4.2
396.33514	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	396.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01875	10.1
57.03442	8.1
57.52267	1.6
61.02923	7.1
67.05505	2.1
68.99786	2.3
69.03088	2.1
69.03436	31.6
69.60623	8.0
71.04983	5.1
73.02918	9.1
73.40686	1.4
78.39938	1.4
81.03427	26.7
83.31153	1.3
84.08131	1.5
85.02911	100.0
87.00833	40.8
87.04441	1.5
91.03945	2.3
93.07005	1.7
95.04960	2.0
95.08633	1.6
97.02302	2.7
97.02899	40.7
99.04462	13.6
99.29944	1.6
101.92120	1.3
105.01872	68.0
105.02587	3.5
109.02889	31.4
113.05994	2.4
117.01858	3.9
120.08078	1.4
121.06525	1.3
127.03928	79.9
129.01843	3.4
131.07042	4.4
137.06009	2.7
139.97755	1.3
145.04967	39.8
147.02892	2.8
159.02898	21.8
177.03952	2.8
189.03973	3.1
213.03908	3.2
231.05023	31.1
249.06071	9.8
284.47534	1.6
313.41653	1.6
397.07385	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	397.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
56.96297	1.1
56.96562	11.4
56.96818	1.1
57.03423	1.6
61.02930	1.1
69.03416	2.6
70.98123	0.7
71.51456	0.7
71.95266	0.8
72.08147	0.5
73.02908	1.9
79.05500	6.5
80.05859	0.6
81.03407	0.8
84.08152	0.8
84.96044	2.5
85.02906	3.8
87.04471	0.6
91.05455	0.9
97.02882	2.6
97.96823	0.6
98.97585	62.7
99.97878	0.6
100.97189	0.8
100.97983	0.8
100.99157	1.2
105.07049	0.8
107.08581	4.2
110.01267	0.7
110.97576	7.9
112.99134	87.0
113.03493	1.0
116.98624	12.2
119.00173	0.6
119.01913	1.0
121.06512	1.2
124.99110	1.3
125.01892	0.7
126.97041	1.0
127.00665	4.4
127.03934	1.2
128.98613	6.6
131.00174	44.4
134.99648	1.6
137.05962	1.9
140.98592	1.5
143.00197	3.5
143.01921	1.0
144.98087	0.7
145.01740	4.8
145.05013	1.3
146.99677	2.5
147.03198	0.5
149.01244	9.3
152.98618	0.9
154.01785	1.1
157.01717	1.5
158.99663	23.7
159.03294	1.0
160.99127	0.6
161.01245	2.3
163.02776	2.0
164.07025	0.6
165.00749	0.7
168.03743	0.6
170.99687	2.6
171.03308	0.7
172.05708	4.9
173.01230	66.1
174.01584	0.8
175.02809	4.8
175.36752	0.5
177.00708	9.9
177.02214	0.8
177.04286	1.0
178.04854	1.1
179.00154	1.3
181.06270	2.3
182.99878	0.5
185.01257	1.4
187.02792	6.1
188.05177	1.4
188.97206	0.6
189.00743	2.4
189.06088	0.6
191.02286	26.9
191.04057	1.0
193.03839	10.2
193.05508	0.8
197.01253	2.1
197.05779	0.6
199.02867	0.6
201.00713	4.8
201.04355	1.6
203.02310	2.1
205.03836	3.5
209.01331	0.6
209.03352	0.6
211.04906	3.2
215.02292	1.4
217.03830	2.3
219.01765	25.7
220.06088	0.7
221.02086	0.8
228.05522	0.7
230.98215	0.7
233.03322	14.3
235.04848	1.5
235.06953	0.8
235.56639	0.8
237.02818	16.9
241.03925	1.3
244.99826	0.8
247.04892	1.2
248.05290	0.6
249.06300	3.9
249.56378	0.8
251.04343	1.0
254.07172	1.4
263.04309	5.9
265.08167	2.2
275.04370	1.7
277.05682	1.3
279.03989	2.0
281.05453	14.9
284.08340	4.4
291.09024	0.8
293.05438	1.3
295.06750	1.2
300.11874	1.2
323.07999	2.2
337.08057	100.0
338.08478	1.3
347.67096	0.7
350.29526	0.6
355.09128	44.9
361.11621	0.8
369.78015	0.6
378.10800	1.2
379.12759	1.6
397.10150	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1647
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
51.27086	1.0
55.05510	1.7
67.05495	1.8
69.03407	3.2
69.58763	7.2
75.14568	1.3
79.05483	2.7
81.03408	3.5
81.07043	6.4
85.02903	5.6
91.05486	9.9
93.07045	4.6
94.04188	2.3
95.04950	1.5
95.08624	2.5
97.02900	2.2
97.06516	1.3
100.78575	1.1
103.05463	3.9
103.78288	1.1
105.07030	5.1
107.04946	3.0
107.08589	9.3
109.02879	2.1
109.06505	2.5
109.10166	2.3
115.05466	1.8
116.06211	1.4
117.06998	3.9
119.04933	6.5
119.08567	4.4
121.06488	2.2
121.10142	8.7
122.03612	3.7
127.03887	2.2
128.06218	3.6
129.06998	5.1
131.04926	3.4
131.08542	4.6
133.02852	1.5
133.06470	1.2
133.10121	3.9
135.04491	1.6
137.05981	69.6
141.06960	3.0
142.07797	2.6
143.08525	2.0
145.06451	2.2
145.10127	2.1
146.07323	1.8
147.04427	6.9
148.04759	2.5
149.05956	5.7
149.09610	3.3
151.07524	9.9
152.06247	1.5
153.05519	1.3
153.06995	3.9
154.07782	1.3
155.08554	4.7
157.06462	3.1
157.10127	2.7
158.07253	2.7
159.08089	5.9
159.11644	1.6
161.05977	13.5
161.09622	3.2
161.13315	1.4
165.07011	4.0
166.07726	1.2
167.08580	2.0
169.06454	1.7
169.92157	1.2
170.07306	2.1
171.08038	3.9
172.08806	3.2
173.05928	1.6
173.09576	1.9
175.07507	4.3
175.14833	1.7
177.05487	1.8
177.08958	1.2
177.12761	1.2
181.06474	2.0
182.07233	4.6
183.08080	2.9
184.05128	1.4
184.08844	3.0
185.05945	1.8
185.09651	9.1
186.06802	1.9
187.07547	5.5
187.11217	3.1
189.09070	2.7
189.12779	1.6
191.07037	5.4
191.14450	1.7
194.07243	1.9
195.08081	2.8
197.05872	1.4
197.09657	9.7
198.06779	15.5
199.07491	8.3
199.11156	1.9
200.08372	2.0
201.09117	4.2
203.10522	1.5
210.06769	2.6
210.14812	1.1
211.07544	3.5
212.08319	3.0
213.09113	20.9
215.08748	1.5
215.10579	5.4
216.09380	1.5
217.08452	1.4
217.12411	1.3
217.15878	1.6
225.09117	10.4
227.10733	1.5
229.08508	2.5
231.08101	2.0
231.10095	1.8
232.08958	1.6
235.16989	1.5
242.09268	1.8
243.08018	1.9
243.10202	16.5
245.09657	3.0
245.11812	1.9
246.06654	1.4
255.10184	5.0
257.09595	1.8
259.07516	2.6
260.08313	1.4
261.09152	3.3
262.09967	1.3
271.07565	2.1
273.11273	57.6
274.09665	1.6
275.10529	2.6
275.16397	2.4
276.07886	1.4
277.08597	4.5
277.12173	1.6
278.09381	1.7
279.10162	1.4
284.08383	1.2
285.09058	2.3
286.09848	2.1
287.07022	2.5
287.10541	1.6
288.07764	2.0
289.08841	2.6
289.12259	4.0
290.09219	1.6
291.10135	4.9
292.07251	1.2
293.08081	3.4
293.11676	4.2
301.08600	3.4
302.09369	2.0
303.10068	5.0
305.08148	1.2
305.11560	3.1
306.08957	2.4
307.09641	8.9
308.10373	4.0
309.11215	1.4
317.11676	2.3
319.09711	2.8
319.13248	1.4
320.10553	1.2
321.11240	6.4
325.10696	2.8
331.09610	1.9
333.11200	3.1
334.12057	1.4
335.12836	4.0
336.13406	2.5
337.14423	1.5
339.12314	2.8
349.14362	5.1
351.12112	6.0
353.13831	3.8
354.14554	13.5
367.15350	4.1
379.15329	9.5
397.16483	100.0
398.16675	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	397.1862
Annotation	Pteroside C
Peak:m/z	Relative Intensity
53.03943	10.4
54.78781	4.9
55.01869	20.2
55.05508	19.7
56.49887	5.0
57.03430	7.6
57.07089	6.1
62.44124	4.8
65.03954	4.4
67.05518	28.7
69.03433	53.2
69.07072	25.7
70.84432	14.5
71.04999	24.7
79.05502	50.1
81.03422	98.4
81.07063	97.7
83.05003	23.5
83.08628	6.7
85.02921	36.3
85.06535	18.0
91.05476	41.4
93.07056	73.1
95.04977	47.6
95.08619	43.6
97.02892	30.8
97.06535	38.0
97.10168	4.4
99.04460	51.5
103.03957	7.2
105.01861	7.3
105.07044	77.0
107.04984	14.2
107.08594	55.7
109.02888	35.7
109.06520	56.3
109.10187	19.1
111.04467	14.6
111.08087	12.2
115.05472	6.1
117.05593	5.2
117.07033	16.8
119.04946	8.6
119.08578	57.9
121.06518	53.3
121.10172	18.7
123.04376	9.8
123.08085	27.5
123.11738	9.0
125.05991	20.0
127.03930	58.1
127.07559	15.0
128.06285	9.0
129.07025	21.5
131.08549	34.6
133.06508	16.6
133.10141	21.9
135.04399	6.1
135.08047	29.7
137.06001	23.2
139.07562	20.2
139.60609	5.0
142.07777	12.0
143.07037	8.3
143.08620	24.3
145.05043	6.1
145.06514	23.9
145.10149	38.5
146.07275	12.4
147.04442	6.0
147.08067	29.3
147.10576	3.8
147.11688	100.0
149.06013	11.9
149.09729	9.1
149.13278	17.7
151.07532	38.1
154.07787	6.3
155.08604	17.4
156.09386	9.4
157.08734	9.5
157.10138	34.9
159.08083	35.8
159.11737	20.1
161.06003	59.1
161.09673	15.3
161.13278	9.7
163.07570	15.6
164.32440	5.1
165.05537	7.4
165.09109	10.6
165.12761	63.5
169.08693	9.4
169.10141	11.0
171.08049	16.7
171.11708	39.4
173.05978	5.5
173.09627	26.9
173.13255	9.1
175.07550	26.9
175.11191	26.7
177.09126	34.7
181.08638	5.3
181.10197	8.9
183.08060	6.5
183.11755	6.9
183.13820	5.4
184.08878	7.6
185.09650	19.1
185.13268	11.5
187.07545	10.9
187.11221	20.8
189.05507	8.4
189.09155	16.1
189.12743	33.2
191.10680	7.7
191.14293	10.8
193.12250	46.3
194.60086	4.9
195.11752	10.3
197.08017	5.5
197.09682	9.4
199.09592	8.8
199.11253	26.8
201.05441	9.2
201.09068	13.6
201.12752	18.4
203.10701	11.9
205.08508	9.6
205.12265	11.3
207.11845	5.3
207.13812	12.5
209.15434	9.5
211.09570	5.5
211.11305	6.3
211.13100	6.7
213.09027	7.1
213.12801	27.3
215.10699	15.1
217.12267	50.3
219.10220	7.9
219.13737	9.3
221.11728	9.0
223.11140	6.0
227.10635	9.4
229.12230	13.2
229.14394	13.0
231.13863	16.8
233.11728	8.1
235.09706	10.0
235.13289	46.6
237.12885	8.3
239.10780	5.2
241.12291	17.0
243.13652	6.2
245.11795	11.7
247.09679	6.6
247.13417	9.4
249.12340	4.9
249.14847	8.1
251.12787	6.9
253.14378	20.8
255.13780	14.9
257.75397	4.8
259.13345	21.0
261.11249	6.1
263.12646	11.4
265.14407	15.9
271.13458	9.3
273.15030	5.1
275.12900	5.7
277.14410	11.8
283.13376	9.8
289.14423	7.0
301.14392	19.0
319.15472	13.0
325.14371	14.7
333.16733	5.8
337.16504	10.8
343.15411	13.5
347.12607	8.1
361.16745	45.7
361.33627	5.0
379.17831	39.7
397.18771	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
55.05514	5.6
57.07082	1.5
58.39036	0.6
59.81778	0.6
61.16545	0.6
67.05503	7.0
69.07071	9.0
70.12898	3.3
79.05495	10.4
81.06593	1.4
81.07061	24.6
83.08627	3.2
87.78680	0.8
91.05481	11.0
92.05833	1.4
93.07050	29.6
95.04995	1.1
95.08614	30.2
96.08995	1.0
97.10196	1.2
97.69239	0.7
105.06314	1.1
105.07030	23.8
107.08599	36.0
109.10168	8.4
117.07059	1.2
119.08589	27.2
121.10153	23.3
123.11710	2.7
125.09657	0.9
131.08588	3.5
133.10139	19.5
135.11694	9.2
136.60057	0.8
137.13286	1.5
139.94467	0.6
143.08554	0.9
145.10138	5.4
147.11694	18.6
147.12817	1.2
149.13268	100.0
150.13634	1.3
153.09123	2.6
157.10132	1.1
159.11728	6.5
160.12402	0.9
161.13268	46.5
162.13705	0.8
163.07579	1.1
163.14835	36.4
165.12769	1.1
167.10709	0.8
171.11639	1.4
173.13297	3.6
175.14835	14.4
177.09105	1.6
177.16374	6.1
179.10695	1.4
185.13193	1.3
187.14804	2.3
189.16397	16.7
191.18019	5.4
193.12337	0.9
199.14792	1.3
201.16431	8.1
203.17973	22.0
205.19493	2.8
207.17406	1.2
213.16319	1.5
215.17993	4.9
217.19551	1.1
221.15427	1.1
221.19006	1.5
227.17986	3.6
229.15909	1.1
229.19551	1.9
235.16879	2.9
241.19571	2.0
243.21178	1.3
246.61526	0.8
247.16939	10.2
249.18585	3.7
255.21072	5.0
261.18463	3.2
273.18506	1.2
281.22495	1.2
287.20010	1.6
309.25897	1.3
315.23175	1.0
351.30505	15.9
379.29529	0.8
397.30945	26.1
398.31177	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01863	8.9
55.05511	3.7
55.56808	3.4
57.03439	8.9
57.05103	3.3
57.07076	8.8
57.40019	3.3
59.05002	64.6
61.02931	8.0
67.05492	3.6
69.03432	36.8
70.40721	13.3
71.04994	7.8
72.08142	3.4
73.02891	6.0
79.05500	7.1
81.03427	20.8
81.07053	9.6
82.07430	3.8
85.02914	100.0
87.00834	41.6
91.05471	5.1
93.07022	4.2
95.04959	6.0
95.08566	7.1
97.02885	30.6
99.04463	12.0
105.01871	78.7
105.07039	4.5
107.08619	4.5
109.02874	26.7
115.11205	12.6
120.08075	6.1
120.60422	3.3
121.20060	3.2
127.03921	65.0
129.01897	4.5
133.12247	15.8
134.04645	5.6
135.01277	3.9
137.05995	9.6
138.06355	4.7
145.04955	26.1
151.24455	3.9
159.02887	7.8
159.11615	4.0
182.04982	57.6
213.03931	4.5
231.04979	19.1
231.06970	5.8
248.09711	4.3
249.06218	9.4
266.10712	48.5
274.11691	4.5
321.10690	4.0
398.15305	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00843	2.0
55.01862	4.1
57.03440	40.7
60.34591	1.6
61.02927	14.8
64.29486	1.8
64.48199	1.6
65.53443	1.8
69.03433	36.4
69.07066	35.6
70.07284	7.5
70.07664	3.3
71.01344	3.0
71.04983	3.9
71.96545	1.6
73.02921	81.6
79.05488	3.3
81.03409	7.3
81.07050	6.9
85.02909	100.0
85.06490	2.0
87.04451	5.7
91.03967	3.3
93.07059	5.7
95.08598	3.2
97.02896	64.2
99.04446	4.5
103.03932	2.1
105.07034	2.7
109.02887	9.6
109.06543	1.9
111.08080	7.1
115.03937	56.5
121.06523	1.6
123.08024	2.3
127.03930	37.2
132.06548	3.4
133.04967	18.1
145.04958	59.3
150.07610	6.5
153.09116	3.0
163.06024	44.8
165.09109	3.7
175.06001	2.0
177.09108	2.5
183.10162	3.2
187.51822	1.8
195.10156	5.1
201.11351	1.6
213.11246	6.5
223.05998	7.8
231.12311	5.9
241.07130	8.1
259.08179	12.0
295.10254	13.3
306.78714	1.7
399.15283	2.4
406.18005	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98644	0.3
56.96570	6.2
69.88623	1.0
71.95274	2.2
73.42017	0.2
98.97590	85.9
115.31186	0.2
116.98628	33.9
130.93303	0.7
134.99670	7.4
140.00195	0.9
147.64063	0.2
153.00708	0.4
154.93309	0.2
171.58319	0.2
172.92975	0.4
172.94370	4.4
188.72867	0.2
190.90910	0.2
190.95436	2.6
197.95190	0.3
198.15678	0.2
208.96504	0.8
214.95425	3.5
232.96469	6.5
250.97527	1.8
256.96454	18.8
258.99719	3.6
260.91620	0.2
261.75818	0.2
274.97519	100.0
275.97968	0.6
277.00818	2.9
282.99969	0.3
292.98578	44.7
293.98871	0.3
297.99121	2.5
298.97815	0.6
310.99490	0.2
316.00140	0.8
316.98840	0.5
332.96835	0.3
345.99396	0.2
371.13705	0.6
374.98233	0.3
375.03558	0.2
375.97629	0.2
384.48642	0.2
393.04727	0.3
398.97882	2.2
416.98801	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	399.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
56.05025	1.3
56.96576	9.3
57.03428	2.0
61.02932	3.4
62.24228	1.2
69.03420	5.5
71.04984	1.7
71.11466	2.8
73.02908	3.6
79.05496	1.6
83.65241	1.3
84.96012	1.9
85.02912	12.0
87.04491	1.6
91.05476	2.6
97.02913	11.5
98.97589	100.0
101.00852	3.1
102.05512	2.2
107.04923	1.2
109.06501	2.4
110.97580	19.9
112.99135	3.8
113.00872	1.4
114.97073	1.6
116.98621	18.3
119.01833	6.6
127.02379	1.4
127.03909	2.0
128.98610	11.0
131.00197	5.1
131.01913	2.4
132.98053	2.2
134.99672	2.0
136.06200	4.6
137.05975	4.9
138.97009	1.2
143.00162	1.7
143.01909	4.2
145.03445	1.8
145.05037	1.9
146.52480	1.2
146.99667	2.6
147.03122	4.6
147.04349	1.3
149.01202	2.9
155.01901	3.1
156.03609	8.9
158.99667	81.3
161.02879	3.2
163.07536	1.5
164.07056	11.9
170.99655	16.4
173.01302	3.9
173.02956	3.3
174.99130	3.3
177.00737	30.6
177.02245	2.8
179.07137	1.7
189.00742	15.7
191.02336	2.3
191.03944	1.6
193.00195	5.5
201.00731	3.5
203.04057	3.2
207.01779	3.5
215.04935	1.6
219.01773	53.3
219.05302	2.7
221.03087	1.8
221.05135	4.2
222.39119	1.7
225.06082	1.8
228.03679	2.4
228.05742	28.5
228.56013	2.5
231.01753	4.7
237.02734	10.0
237.06104	7.0
241.03793	1.7
241.09184	1.9
245.05136	1.8
249.02826	17.1
249.06094	2.4
250.09392	4.8
255.03917	3.7
255.07169	1.6
259.04840	1.4
261.02802	4.3
267.07050	1.5
279.03830	55.5
291.04129	2.0
291.07391	1.9
293.05502	1.7
297.05002	3.7
309.04974	4.2
309.11948	1.6
318.08722	2.0
321.05081	1.8
339.09448	7.3
357.10345	8.9
360.27682	1.5
399.06439	8.5
399.10800	11.1
399.15527	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	399.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
56.96344	1.3
56.96568	11.4
61.02922	3.2
69.03418	5.2
70.37765	3.9
72.65778	1.1
73.02907	3.6
74.78658	1.1
77.33267	1.3
79.05492	2.6
80.87037	1.1
81.03416	2.0
81.07050	4.5
85.02903	6.0
86.99337	1.8
89.38551	1.2
91.05484	3.4
94.99835	2.0
97.01388	1.9
97.02880	9.6
98.97591	27.4
101.00894	11.3
102.05532	1.3
102.96934	1.5
105.00213	2.1
109.06536	6.3
110.97582	5.6
111.44860	1.1
113.00873	10.0
114.74127	1.3
115.02422	5.1
116.98640	6.2
119.01919	11.1
119.04918	1.7
123.01183	2.9
127.02409	4.7
127.03896	1.7
128.98608	4.9
129.00313	1.2
131.00212	2.1
131.01909	19.6
133.03459	3.5
135.04416	1.9
136.06169	3.3
137.00798	2.1
137.05020	2.3
137.05994	26.6
143.00154	2.5
143.01915	13.0
145.03470	9.7
147.01372	1.3
147.04344	1.6
149.02907	1.3
155.01910	15.1
156.02658	6.2
157.03438	5.2
158.99664	12.9
160.99202	1.3
161.02963	12.7
165.03999	2.1
167.05638	1.5
167.07047	1.2
170.99721	2.9
173.02937	12.1
175.04495	1.6
177.00703	4.9
178.03870	1.6
179.00140	2.0
179.03984	1.7
179.05540	2.3
181.03467	2.2
183.05035	2.3
184.02208	1.7
185.02951	5.1
187.04472	8.0
187.54613	1.5
189.00705	1.7
195.05084	9.7
197.01234	6.0
197.02946	8.3
197.04694	2.4
197.06535	2.1
199.04556	2.2
201.00684	3.1
203.04019	15.1
207.05023	5.5
209.03014	2.8
209.06621	2.3
211.02771	2.2
211.04549	3.1
213.06143	6.6
215.02228	5.0
215.04027	2.4
219.01807	7.9
219.05078	7.4
221.03139	2.0
221.05043	37.5
221.07043	2.6
223.04541	4.5
225.06100	8.4
228.05669	2.5
231.05038	4.8
233.06468	1.3
235.04552	1.7
237.02899	5.4
237.06096	26.2
239.07718	3.5
241.03819	5.5
241.06107	3.2
244.04167	1.9
245.05002	7.5
247.04559	1.9
249.06110	32.7
250.09273	6.0
251.07645	5.4
255.04805	1.2
255.07158	8.0
259.04749	3.4
261.02646	1.2
261.06030	7.1
267.07175	9.2
268.57355	2.2
269.08810	2.0
273.06100	10.5
274.97522	3.3
275.04004	2.0
279.04004	5.1
279.07138	15.2
291.07159	14.8
292.98593	1.6
309.08185	3.8
318.97833	1.3
321.08063	4.6
327.03806	3.9
327.09229	11.2
339.09283	54.3
340.09302	1.6
355.06781	1.6
357.10330	100.0
358.10379	2.8
371.13989	2.4
373.08145	2.4
375.03995	1.7
378.02466	1.8
380.11734	3.0
394.15872	1.2
399.11984	34.0
399.18210	3.2
402.27100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73756	0.6
51.19508	0.5
57.03436	0.8
59.76131	0.5
66.28736	0.6
66.85066	0.5
69.03427	1.6
69.07097	0.7
69.77309	2.8
71.08624	1.2
73.02917	0.8
77.01405	0.6
79.05502	1.4
81.03434	0.9
83.04987	0.7
84.04527	0.6
84.08160	0.7
85.02901	2.7
85.47793	0.6
91.05490	0.9
96.04559	0.7
97.02897	1.8
98.20850	0.7
101.06017	0.9
103.05448	2.6
107.04948	1.3
109.06525	0.8
109.32631	0.5
111.04482	0.8
114.03745	1.0
127.03947	0.8
129.05441	0.8
131.04944	5.4
137.06018	1.4
142.03230	5.1
147.04523	0.5
147.06523	0.9
148.05232	0.7
161.06015	1.4
163.07573	2.0
164.07085	1.4
167.07083	2.4
170.02759	2.3
185.04218	0.6
193.08481	0.9
203.05260	0.9
214.28711	0.6
219.06367	3.7
227.05016	0.8
237.07317	1.7
245.05902	2.2
245.08217	0.7
297.71893	0.7
326.09247	0.6
381.11609	1.4
399.12656	100.0
400.13181	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1262
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
52.73548	0.3
53.03947	0.5
55.01874	0.6
55.05494	0.4
56.05035	0.8
56.96564	4.3
57.03431	0.6
57.07082	0.6
61.02924	0.9
66.08185	0.3
67.05514	0.5
69.03425	2.4
69.16569	1.5
69.16985	2.0
70.06596	0.6
71.04996	0.4
71.08636	0.4
71.95242	0.4
72.08147	0.9
73.02906	1.4
74.02452	0.4
79.05518	1.7
81.03410	0.8
81.07046	1.1
84.08155	0.6
84.96030	1.0
85.02908	4.9
86.06045	0.4
87.04494	0.6
91.03951	0.4
91.05486	1.1
93.07038	0.9
95.08603	1.6
97.02895	5.2
98.97593	9.7
99.04477	0.4
99.97930	0.4
101.00919	0.5
102.05546	0.7
102.96872	0.8
105.07048	1.3
107.04967	0.6
107.08623	0.4
109.06528	0.6
110.97588	2.1
111.04497	0.5
112.99171	0.5
113.99886	0.4
116.98660	2.9
119.01923	1.6
119.04937	1.2
121.06506	1.4
123.00871	0.3
123.04494	0.4
123.08076	2.1
127.03930	1.2
128.98660	1.6
129.05504	0.6
131.00197	0.3
134.99661	0.8
135.04463	0.6
136.06178	3.0
137.02956	0.5
137.05978	4.6
138.06400	0.5
140.98427	0.6
141.09119	0.4
142.03227	0.4
143.00156	0.6
144.98097	0.3
145.02856	0.3
145.04976	0.9
146.99617	0.6
147.04379	1.5
155.04747	0.4
157.03516	0.3
158.99670	4.4
161.01251	0.6
163.03941	2.2
164.07060	3.4
165.05005	0.4
167.07045	0.8
170.99681	0.6
171.04803	0.5
173.01271	0.6
177.00777	2.1
179.07037	0.6
180.05431	2.6
185.04868	0.7
189.04381	0.5
189.05946	2.8
197.01195	0.7
197.04942	0.7
201.00716	0.8
208.04915	0.9
208.55365	0.3
211.02824	0.7
211.05392	0.4
211.08157	2.0
219.01782	3.4
223.08177	1.7
225.00679	0.4
229.09207	1.1
232.06071	0.4
233.06825	0.8
235.02808	0.4
237.02750	3.2
239.05939	1.0
241.03831	0.7
241.09232	4.3
244.04321	0.7
249.58972	0.4
250.09393	3.0
253.03848	0.6
253.06560	0.5
257.07034	0.6
259.04712	0.5
259.10312	7.3
261.03036	0.6
268.10446	0.4
276.07782	0.4
278.10278	0.7
279.03729	1.6
283.07578	1.2
285.09131	0.4
298.09723	0.6
299.57999	0.6
303.07428	0.6
312.11569	0.6
320.11264	0.4
321.04889	0.5
348.07108	0.7
357.08737	0.6
359.10083	1.0
363.09216	0.5
371.13531	0.4
377.11334	0.4
381.11441	3.6
399.12619	100.0
400.12680	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	399.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.8
55.01872	2.6
55.05502	3.5
57.03439	3.0
57.07067	2.0
59.05005	6.0
59.44241	1.0
61.02927	8.9
66.76368	1.0
67.05519	8.9
68.99802	11.2
69.03442	22.6
69.07072	2.3
71.04992	4.9
71.51728	1.5
79.05492	9.1
81.03429	15.1
81.07066	60.8
83.05014	1.4
83.08615	1.4
85.02441	2.1
85.02917	27.8
87.00837	16.0
91.05505	12.1
93.07056	100.0
95.04982	9.3
95.08620	15.0
97.02908	12.6
97.06531	2.4
99.04483	6.0
105.01879	9.6
105.07053	10.3
107.04966	1.7
107.08607	7.3
109.02895	15.9
109.06496	3.2
109.10153	3.6
111.04447	2.3
111.08081	2.2
113.02384	1.1
113.06091	1.4
115.04008	1.1
115.05468	1.1
117.07001	1.9
119.08569	4.8
121.06536	2.8
121.10153	8.6
123.08069	4.9
123.10831	2.4
123.11725	42.7
124.03944	1.4
125.05958	1.1
127.03927	33.1
129.01834	10.7
129.07062	2.3
131.08580	3.6
133.10159	12.7
135.08022	2.6
135.11697	3.2
137.06053	1.3
137.09641	1.9
145.05029	5.1
145.06519	2.3
145.10175	5.2
147.02876	6.5
147.04182	0.9
147.08090	1.1
147.11702	3.5
149.09624	3.3
151.07550	2.3
151.11203	27.7
157.10182	2.4
159.08038	1.7
159.11702	4.8
161.09674	1.2
161.13251	1.6
163.07564	1.8
163.11212	2.4
167.10715	2.2
169.12321	1.8
171.08102	1.3
173.09650	1.2
173.13199	1.1
175.11217	3.5
177.12798	1.6
185.13228	1.1
189.04048	1.4
189.12720	1.8
191.10570	1.6
201.16370	1.7
213.04001	3.8
213.12825	1.1
219.13800	1.2
219.17439	2.1
231.05113	5.8
237.14822	5.2
241.12114	1.2
259.13263	4.5
277.14359	1.2
363.14279	1.3
399.16373	4.1
408.82413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43493	0.6
53.03935	2.0
55.01864	1.8
55.05509	1.1
57.03440	6.8
57.07053	0.7
61.02923	3.0
65.17208	0.6
67.05504	0.8
69.03087	0.9
69.03433	10.6
69.37397	3.2
69.37805	1.3
70.06590	1.7
71.01340	0.9
71.04990	1.7
72.08147	0.7
73.02926	1.7
75.04472	1.3
77.03960	0.7
79.05481	2.5
81.03423	4.8
81.07076	1.0
83.05001	0.9
84.04468	0.8
84.08152	0.9
85.02913	28.7
87.04476	1.3
91.03951	1.0
91.05476	1.9
93.07021	0.9
95.04964	1.6
97.02907	8.2
99.04457	3.5
102.04714	1.2
103.04011	3.2
103.05476	46.0
104.05814	0.6
105.04517	0.8
105.07036	2.6
107.04955	6.0
107.08588	0.9
109.02884	4.4
109.06548	1.6
111.04507	0.9
117.05489	2.0
120.08121	0.7
121.06564	0.9
124.05238	1.4
127.03918	7.4
129.05493	0.9
130.04208	0.7
131.04939	100.0
131.24284	0.6
132.05348	0.9
133.04872	0.7
133.06538	1.0
137.06003	2.0
140.21335	0.6
142.03230	3.5
145.04994	3.0
145.06514	1.3
147.04448	1.3
148.05205	12.9
160.05188	0.7
161.05977	4.4
162.06755	0.9
163.07553	51.6
164.06970	2.9
165.05498	0.7
167.07022	5.6
167.08037	0.5
167.98476	0.7
170.02733	1.5
175.07649	1.2
177.05586	0.9
189.07344	0.6
201.09171	2.7
201.12395	0.9
204.06450	0.8
217.08629	1.2
219.10309	1.2
219.13873	1.8
237.11287	2.9
237.14926	1.7
245.08249	1.4
264.08237	0.7
307.09546	0.8
331.11728	1.1
357.92773	0.6
391.14334	1.7
399.15353	4.3
399.20636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45424	0.5
51.02368	0.6
53.03938	1.7
55.01869	0.9
57.03443	6.6
59.56938	0.5
60.04516	0.5
61.02921	2.9
69.03435	9.9
69.77467	2.1
70.06561	0.6
71.01320	0.6
71.04980	1.0
73.02927	1.3
75.04485	1.1
77.03943	0.7
79.05520	0.5
81.03429	5.2
85.02910	28.1
87.04469	1.6
91.05476	0.9
97.02898	7.9
99.04449	2.0
102.04701	0.6
103.04005	2.9
103.05471	47.4
103.34069	0.6
105.07054	2.0
109.02913	3.9
115.03946	0.6
115.05468	0.8
117.05484	1.2
127.03929	7.6
129.05441	0.7
130.04153	1.6
131.04933	100.0
132.05269	0.9
133.04852	0.7
133.06508	1.1
145.04970	4.3
148.05188	12.6
150.51282	0.5
159.07925	0.6
160.05196	1.2
161.05983	4.0
162.06741	0.8
163.07550	55.3
164.06937	0.8
167.07121	0.6
171.06442	0.6
173.09506	0.7
174.48178	0.5
175.07550	0.8
177.05417	0.8
201.07521	0.6
201.09143	2.1
219.10184	0.9
237.11261	2.5
339.12381	0.6
342.78735	0.6
399.16113	2.8
399.21008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.05509	6.6
57.03426	3.7
59.04996	3.0
59.55159	2.3
59.93248	2.2
67.05502	16.9
69.03429	12.2
69.07053	9.1
71.04987	3.4
77.70009	2.7
79.05495	22.8
81.03417	4.8
81.07059	100.0
83.08658	3.9
85.02899	22.9
85.06540	4.2
87.00867	2.9
91.05482	12.2
93.07047	32.6
95.05009	4.2
95.08611	20.6
97.02885	7.7
97.06571	3.7
105.07048	24.1
107.08602	21.6
109.02856	4.8
109.06520	7.8
109.10152	18.7
111.08044	7.0
119.08604	21.4
121.06476	3.4
121.10155	24.9
123.08067	9.3
123.11684	13.1
125.09623	3.9
127.03899	10.4
128.04233	2.8
131.08554	10.3
133.10159	19.5
135.08052	5.1
135.11681	9.0
137.05994	3.3
137.09622	5.1
145.04959	2.7
145.10106	22.8
147.11690	6.7
149.09665	4.5
149.13287	5.2
151.07535	9.9
151.11198	7.2
159.11693	18.2
161.13248	6.6
163.11180	12.3
167.06926	3.4
169.12201	4.1
173.13234	4.0
175.14796	4.3
177.12708	3.1
196.00427	2.4
201.16370	22.0
219.13870	3.6
219.17491	14.2
237.14888	21.3
264.62170	2.3
355.07968	8.8
399.10492	2.9
399.15552	4.9
399.20181	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.2
55.01873	8.1
55.05524	17.1
57.03440	5.9
57.07071	5.2
59.05000	4.0
60.30997	3.1
67.05511	28.4
69.03429	21.2
69.07077	23.5
69.44038	25.6
71.04996	8.7
79.05499	31.4
81.03415	19.2
81.07059	100.0
82.88163	3.3
83.04977	11.0
83.08616	13.6
85.02905	26.3
85.06544	4.6
90.50513	3.4
91.05478	23.8
93.07048	87.8
95.04985	6.9
95.08612	56.1
97.02888	12.4
97.06533	9.6
99.04456	9.3
99.08091	25.5
103.25253	3.2
105.07025	39.0
107.08601	50.2
109.02894	9.0
109.06526	7.5
109.10159	31.9
111.08083	13.2
113.09676	5.5
117.07037	9.9
117.79092	3.1
119.08588	31.7
121.10149	83.5
123.08063	6.4
123.11684	28.4
125.09637	9.0
127.03923	27.4
129.07083	5.0
131.08568	19.0
133.10138	23.8
135.11700	17.6
135.99104	3.3
137.06010	5.4
137.09616	6.6
137.13211	6.6
139.11188	3.8
143.08600	8.2
145.10136	36.0
147.11641	9.5
149.13290	5.2
151.11206	5.9
153.01837	34.3
159.11696	30.6
161.06042	3.8
161.13229	17.1
163.11169	11.0
173.13242	11.3
175.14911	5.7
177.16389	49.5
187.06099	7.7
191.18074	5.0
195.17505	8.3
197.24536	3.2
201.16393	35.3
213.18549	4.9
219.17534	18.3
237.14867	11.7
245.08055	4.9
273.07507	9.3
307.09717	5.1
355.08191	8.1
369.13062	5.2
381.09869	7.2
399.10779	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	399.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.05508	14.7
57.07059	8.0
59.04991	2.4
67.05513	19.8
69.07068	17.1
69.25869	21.5
71.05002	2.1
71.08625	3.4
79.05492	10.1
81.07061	47.4
83.02346	2.2
83.04964	2.4
83.08623	9.2
85.06539	4.9
91.05487	11.1
92.17235	2.2
93.06485	3.4
93.07043	43.9
95.08609	95.5
97.10164	5.4
99.04448	4.8
101.06017	6.8
103.24152	2.1
105.07040	22.0
106.15774	2.3
107.08600	61.2
108.13512	2.0
109.06512	3.1
109.10164	43.1
111.04415	2.6
117.53907	2.1
119.08591	30.5
120.09402	2.4
121.06514	2.6
121.10147	47.9
123.08068	2.8
123.11700	14.4
126.33060	2.6
131.08598	7.4
133.10129	26.8
135.08055	7.6
135.11693	54.4
137.13298	5.8
145.10117	9.4
147.06424	2.4
147.11693	27.5
149.09637	2.8
149.13255	34.6
153.09167	2.9
157.10175	4.6
159.11685	11.1
161.13290	13.9
163.11235	3.2
163.14845	11.1
173.13272	11.6
175.14842	7.2
177.12720	14.8
177.16403	6.5
181.12273	5.0
187.14787	3.4
189.16386	11.1
191.14325	11.4
191.16200	4.9
191.17950	100.0
195.13876	16.9
201.16415	3.9
203.17978	22.4
205.19510	7.2
207.13823	8.1
209.15387	25.4
217.19527	15.9
231.21132	3.6
235.16989	4.7
257.22604	3.6
306.46027	2.3
381.31467	8.0
398.61087	2.4
399.32629	74.4
399.37906	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	400.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03442	28.1
61.02935	13.0
62.06097	1.3
65.60635	1.1
65.77846	1.2
69.03430	30.9
70.06582	3.4
71.01348	2.6
71.04978	1.6
71.40265	1.8
73.02921	65.3
81.03416	6.0
83.00365	1.3
84.08116	2.0
85.02909	100.0
85.97276	1.2
87.04462	4.5
91.03960	4.3
91.05510	1.8
97.02896	43.9
99.04465	4.6
103.03971	1.9
107.04920	1.3
107.78609	1.2
109.02885	8.2
115.03934	34.5
116.07102	1.7
127.03916	28.3
131.04921	1.3
132.06595	1.7
133.04964	10.0
137.05952	2.8
145.04961	62.4
150.07632	4.8
163.04736	2.6
163.06023	37.4
178.12682	1.5
218.21565	1.1
223.06030	2.9
241.07079	4.4
251.14839	5.4
259.08139	5.1
295.10226	4.1
400.14038	6.4
411.62866	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14103	1.2
53.03939	1.4
55.01889	2.9
57.03441	27.5
58.69286	1.4
59.04996	1.7
61.02930	10.9
69.03438	30.6
69.33791	9.3
70.06605	1.7
70.43656	1.1
71.01350	2.4
71.04983	3.1
72.63761	1.3
73.02923	60.7
79.05511	2.0
81.03417	4.3
85.02912	100.0
86.09695	2.6
87.04457	3.8
91.03967	5.6
97.02898	53.3
99.04462	4.3
103.05460	1.5
109.02898	9.6
115.03936	36.3
127.03916	28.8
132.06596	2.9
133.04953	9.4
137.05937	2.3
145.04965	70.7
150.06531	1.3
150.07660	5.0
163.06024	41.3
223.06029	3.8
241.07118	5.0
251.14911	10.3
259.08099	4.8
295.01920	1.3
295.10239	4.8
308.78845	1.2
373.07809	1.4
383.82800	1.3
398.97220	1.5
400.14435	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	401.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.6
57.03421	1.0
65.03946	3.8
65.46729	0.6
65.73425	0.6
67.05518	2.8
68.99807	0.6
69.03438	4.0
69.53358	2.1
69.53763	1.4
70.06591	2.3
71.04990	1.0
72.08144	0.6
73.02918	0.7
79.05521	1.2
81.03415	1.9
81.07054	0.8
82.04202	1.5
83.04964	1.3
84.08135	0.7
84.29808	0.5
85.02914	7.5
86.09687	0.9
87.00837	0.5
89.06038	3.1
91.05495	1.1
93.03403	1.7
93.07070	0.9
95.01341	6.6
95.04964	1.7
95.08578	0.9
97.02886	2.7
97.06521	1.6
99.04485	1.1
103.05486	1.5
105.07048	1.3
107.04969	2.9
107.08625	0.6
108.02110	0.8
109.02884	1.2
110.03658	2.0
111.04417	1.1
113.02358	0.8
113.54662	0.5
115.05427	1.3
115.65538	0.5
116.07080	1.0
117.03413	0.7
117.07008	0.9
119.04980	0.9
119.08600	0.7
121.02869	0.6
121.06499	1.5
123.00799	28.3
123.04438	2.6
123.08086	0.9
125.02348	2.3
125.06007	1.7
127.03918	1.8
131.04956	1.6
133.06491	2.1
133.10132	0.5
135.04362	0.7
135.11707	0.5
137.02368	0.8
137.06003	2.0
138.03128	1.2
139.03879	0.9
139.07639	0.7
140.04706	1.3
141.01840	13.6
141.05481	0.8
142.02611	1.7
143.04875	0.5
144.66505	0.6
144.83417	0.5
145.02925	0.7
145.04984	1.0
145.06493	0.6
147.04376	4.2
149.06012	0.8
151.07568	3.4
153.05507	3.7
155.07051	1.5
156.05812	0.6
159.06587	0.7
160.12512	0.5
161.05952	3.6
161.09601	0.7
163.03899	1.2
165.05418	0.6
167.07083	4.3
169.01370	2.2
171.06549	2.3
177.05466	3.9
178.05867	0.8
181.04968	100.0
182.05316	0.7
188.04697	0.6
189.05449	1.9
193.04895	0.7
193.08636	0.9
197.51949	0.7
207.06548	1.3
209.08067	5.6
209.11777	0.9
217.05008	1.2
217.06898	0.7
219.08087	0.6
221.08057	1.5
221.11745	1.2
231.06532	1.5
239.12836	0.9
249.07661	2.7
259.05981	0.8
261.83563	0.5
269.08252	0.7
277.07062	6.6
291.08640	1.8
295.07974	1.0
305.06561	24.2
315.08719	1.6
323.07617	3.0
325.09122	1.0
327.10568	1.2
330.11044	1.9
357.11481	1.2
369.55798	0.7
383.15106	3.8
401.10754	2.3
401.16141	1.1
401.28125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79883	1.5
53.03929	1.9
55.01849	3.6
55.05494	1.5
67.05489	2.5
68.26746	1.4
69.03413	6.6
69.07082	1.9
69.17953	15.5
69.18287	2.8
71.04996	3.0
79.05486	10.0
81.03411	6.8
81.07048	7.8
85.02916	7.8
87.00816	4.3
91.05481	8.3
93.07050	7.6
95.04963	5.2
95.08647	3.1
97.02880	2.9
103.05497	1.6
105.01845	3.3
105.07024	5.0
107.04961	25.5
107.08599	11.5
109.02894	2.4
109.06491	4.0
109.10163	2.3
109.45539	1.4
115.05436	2.2
116.06258	1.8
117.07008	2.8
119.08549	4.9
121.06459	2.6
123.04416	6.1
124.05219	4.9
127.03934	6.9
128.06197	1.6
129.07002	4.3
131.04926	1.9
131.08525	8.0
133.10126	1.7
135.11678	11.3
137.06021	2.2
137.09578	1.6
141.06992	3.9
144.05722	4.0
145.04886	1.5
145.06548	2.4
147.11667	2.0
152.04565	2.4
153.05505	2.1
153.12727	1.6
153.80284	1.6
156.05692	6.7
157.06418	2.8
159.08025	7.8
159.11716	2.4
163.03922	2.4
167.07042	70.6
173.06001	4.5
179.07048	3.2
181.04976	1.5
181.06546	2.2
181.08495	1.8
186.06721	2.0
187.07559	5.9
190.06190	2.0
190.07816	1.9
191.08615	2.8
193.06435	1.8
193.08482	2.0
195.06479	2.5
202.06242	3.6
203.08611	3.2
205.06683	2.0
205.08592	10.3
207.06467	4.4
207.08235	2.1
208.05200	17.1
210.06744	2.6
217.08560	26.5
217.10403	2.1
218.07224	3.9
219.08073	8.6
219.10164	5.4
220.08791	3.8
221.06044	5.0
229.08582	6.2
231.08022	4.8
231.10132	1.9
232.08963	1.7
233.09563	4.1
235.10970	1.6
236.04730	8.2
236.08221	3.2
241.08714	1.8
243.13881	1.8
247.07460	9.4
247.09694	13.9
248.08348	8.7
249.05443	3.1
249.09309	3.1
250.06261	1.7
251.10634	2.6
254.05757	7.9
257.04297	1.9
259.07535	3.6
260.08231	2.0
261.09085	2.6
261.14825	2.9
262.06290	1.6
262.09891	3.4
263.06723	1.8
263.10675	7.9
264.07776	6.8
265.08524	4.8
267.06534	5.3
268.03577	2.5
269.08093	20.0
271.09674	4.5
272.06796	4.7
273.08994	1.7
275.07022	5.8
276.07700	5.6
277.08609	4.1
279.10178	7.5
281.08130	2.0
282.05280	4.8
282.08865	13.7
287.09137	4.3
290.09381	3.3
291.10098	9.8
292.07214	4.0
293.08084	7.2
294.08691	1.8
299.09100	3.8
300.06311	2.4
300.09866	2.1
301.07098	3.3
305.08127	2.2
307.06418	2.5
307.09482	10.2
308.10410	4.8
309.07739	1.6
309.10941	1.8
310.08316	6.7
311.12607	2.2
315.08627	85.6
316.09146	3.9
319.09525	7.9
321.07401	3.3
321.11118	2.4
322.08319	2.0
323.09219	3.1
323.12726	13.4
324.09741	1.7
325.10614	2.7
328.09402	3.8
330.10968	100.0
331.11716	9.4
336.09933	3.5
337.10599	4.4
339.12341	7.4
343.11713	17.4
350.11252	2.2
351.12296	21.8
352.12961	2.8
353.10150	5.9
356.12543	1.9
368.12589	5.7
369.13342	4.8
371.14902	5.6
383.14844	59.0
401.15936	22.5
402.16183	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Gomisin R
Peak:m/z	Relative Intensity
51.69328	1.2
53.03937	2.9
55.05488	1.3
57.03412	2.0
65.03937	1.6
67.05513	1.8
69.03438	2.1
71.04974	1.5
71.40822	3.0
78.04724	1.6
79.05484	12.2
81.03393	1.3
81.07046	3.3
85.02905	2.4
91.05466	5.4
92.72817	1.5
93.07055	2.2
95.04943	2.3
95.08616	2.9
97.06522	1.3
103.05494	1.9
105.04553	1.8
105.07040	4.1
107.04964	26.2
110.05730	1.3
110.54287	1.5
115.05437	4.5
117.07014	2.3
119.04952	1.5
121.06504	1.4
122.03615	2.0
123.04433	2.3
123.11762	1.6
124.05201	4.8
125.05993	1.9
128.06218	3.3
129.06987	8.2
131.04930	2.1
131.08582	8.2
133.06458	1.4
137.05980	4.2
141.06987	2.9
144.05713	5.5
145.06471	5.2
149.05959	1.3
151.03883	2.3
151.07500	1.5
152.04674	2.9
153.05461	2.7
156.05713	8.9
157.06419	1.8
159.08086	13.2
161.06010	4.3
163.03896	2.6
165.05530	2.3
167.07043	87.5
170.07271	1.8
172.05312	1.4
173.05981	5.8
179.06995	2.6
181.04941	5.3
181.06342	1.4
181.08473	1.6
184.05174	2.7
186.06779	4.2
187.07564	8.1
188.87674	1.3
190.07803	2.2
191.07034	3.1
191.08577	2.6
193.08633	2.4
195.06520	3.8
201.09184	1.7
202.06194	4.5
202.07822	2.5
203.08592	2.8
204.07767	1.9
205.06686	1.9
205.08586	14.3
207.06543	4.2
208.05196	21.6
209.08034	2.1
210.06725	3.1
211.07736	1.8
217.08586	36.9
218.07210	3.9
219.08025	11.8
219.10165	7.5
220.08888	4.9
221.06125	6.3
221.07906	2.9
225.05544	1.7
229.08650	5.5
230.07289	2.6
231.08020	7.3
231.10143	3.1
232.08824	1.9
233.05933	2.6
233.09634	5.7
234.06836	2.1
235.07443	3.9
235.11142	2.0
236.04706	11.0
236.08359	3.7
237.08994	3.1
238.06090	2.3
239.06989	5.1
240.04187	2.1
243.07974	1.4
245.09637	3.8
246.06764	1.6
247.07515	12.4
247.09695	13.6
248.08342	10.7
249.05542	2.4
249.09084	4.3
250.06264	1.7
251.07118	2.0
251.10655	3.6
254.05740	11.6
255.06490	2.3
257.04504	2.2
258.06863	1.6
259.07477	3.4
260.08377	1.5
261.09088	6.0
262.09903	3.7
263.07092	2.9
263.10739	8.7
264.04990	1.3
264.07819	7.0
265.08542	4.5
267.06583	7.7
268.03796	1.6
269.08093	28.6
271.06018	2.1
271.09644	7.0
272.06882	5.4
273.09137	1.8
275.06998	6.5
276.07748	9.4
277.08603	4.0
279.10193	9.0
280.07056	1.5
281.08047	2.1
282.05545	3.0
282.08832	13.7
285.07629	2.2
287.09189	2.5
289.08890	1.8
290.09390	3.0
291.06906	2.3
291.10080	11.8
292.07266	4.9
293.08008	7.8
295.09525	1.6
296.10446	3.0
299.09067	3.6
300.06226	2.8
301.07135	2.8
304.07285	1.8
305.08002	2.1
305.11505	1.6
306.08835	1.5
307.09650	12.2
308.10428	6.0
309.07822	2.1
310.08420	7.3
311.12695	3.0
315.08624	84.9
318.08838	2.4
319.09668	7.3
321.07614	3.5
322.12106	2.0
323.09198	2.5
323.12747	15.5
324.09869	2.3
325.10345	3.2
328.09305	5.1
330.10989	100.0
331.11627	10.1
336.09821	4.4
337.10684	5.5
339.08832	1.4
339.12274	8.7
341.13837	1.7
343.11734	16.5
351.12286	27.4
352.12967	4.3
353.10214	6.0
356.12564	3.9
367.79672	1.5
368.12488	8.1
369.13373	6.0
371.14984	7.8
373.16364	2.5
383.14899	75.8
401.11520	2.9
401.16125	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07076	2.3
78.04719	1.8
79.05495	13.8
81.07063	4.3
86.74120	1.5
91.05501	7.0
93.07089	3.6
95.04986	3.1
95.08624	8.1
97.25083	1.6
98.36855	2.0
105.07076	2.9
107.04955	30.6
107.08600	3.1
109.02892	3.0
111.08090	2.0
116.06253	2.6
117.07049	2.4
120.08073	1.8
121.06556	1.8
123.04439	2.3
123.08105	1.6
123.11727	1.8
124.05151	3.9
125.05963	1.6
127.03947	1.8
128.06229	3.1
129.07025	5.1
131.08551	8.9
132.05717	2.0
141.07024	3.7
144.05780	5.2
145.06505	3.9
151.03990	2.2
151.07564	2.4
152.04723	4.8
153.05511	3.1
153.12794	4.8
156.05667	11.5
157.06461	2.4
158.07198	1.8
159.08096	12.5
159.11980	1.8
161.05992	3.1
165.05522	2.1
165.13068	1.8
167.07034	83.8
169.07703	2.7
170.07220	1.9
172.05357	1.8
173.04637	1.7
173.06042	5.1
179.07094	2.6
181.05063	3.1
181.08658	3.5
183.08078	1.8
186.06844	2.9
187.07616	7.7
190.06190	2.2
190.07819	2.1
191.07001	2.6
191.08574	2.9
195.06546	2.0
195.08160	2.7
198.07034	1.6
202.06294	4.8
202.07951	1.8
203.08640	3.8
204.07854	3.1
205.08641	14.7
205.10291	2.9
207.06526	3.6
207.11879	2.3
208.05183	21.0
210.06845	2.6
211.07483	2.7
217.08589	37.5
218.07362	3.3
219.08096	10.3
219.10229	5.4
220.08995	3.4
221.06078	4.6
222.06825	2.6
229.08687	6.7
231.08090	8.0
231.10086	3.5
233.09610	3.9
235.07611	3.6
236.04716	9.0
236.08287	3.1
238.06384	2.8
239.07056	2.5
241.08838	2.1
244.08784	2.1
245.09836	3.4
247.07529	13.6
247.09766	18.9
248.08296	9.9
249.05470	2.6
249.09167	3.7
254.05780	7.7
255.06593	2.9
256.07312	2.4
259.07742	2.5
260.08475	1.8
261.05499	2.3
261.09003	3.9
262.09995	4.0
263.07260	2.1
263.10727	8.8
264.07892	6.8
265.08713	6.1
267.06625	5.4
268.03589	3.5
269.08096	21.5
271.06110	2.8
271.09692	6.2
272.06833	6.5
275.07101	6.7
276.07938	6.2
277.05640	2.1
277.08646	6.3
279.07211	2.7
279.09933	8.4
281.08481	2.5
282.05801	4.1
282.08969	13.9
287.09207	2.8
290.09436	4.6
291.10187	13.2
292.07397	4.5
293.08130	7.8
294.08832	1.8
296.10336	2.5
299.05582	2.0
299.09116	5.3
300.06482	3.7
301.07147	3.3
305.08078	3.2
305.11560	2.2
307.09576	8.9
308.10397	7.5
309.07596	3.2
310.08429	4.5
311.12921	3.7
315.08609	87.9
316.09302	1.8
319.09738	8.7
321.07657	4.0
321.11157	3.1
323.12845	13.1
325.10840	3.2
328.09421	4.6
330.10950	100.0
331.11737	8.6
336.10022	5.0
337.10782	8.2
339.12305	8.9
341.09918	2.2
343.11728	18.3
351.12207	24.1
352.13077	3.9
353.10269	7.3
356.12537	4.1
368.12616	6.8
369.13260	5.8
371.14804	5.9
383.14886	68.4
390.32117	1.8
401.11246	3.5
401.16043	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53323	2.5
51.79010	2.7
53.03941	10.6
55.01871	19.6
55.05506	11.9
57.03436	7.9
57.07073	3.0
61.02918	4.0
64.88020	2.7
65.03971	4.1
66.50694	2.9
67.05503	30.9
68.99789	6.1
69.03432	61.0
69.07060	9.4
70.06585	3.9
71.01343	3.5
71.05002	7.0
71.52622	4.0
73.02897	3.9
79.05496	37.1
80.04915	2.9
81.03420	57.9
81.07056	84.2
83.04980	18.0
85.02908	40.1
85.06555	10.6
87.00844	22.4
91.05476	35.6
93.07044	65.0
95.01346	4.4
95.04977	38.6
95.08607	23.2
97.02888	19.4
97.06522	12.7
99.04459	20.0
102.22777	3.4
103.03951	10.1
103.05475	3.3
105.01859	10.1
105.07039	49.4
107.04942	17.2
107.08597	52.3
109.02911	14.6
109.06528	45.9
109.10164	21.7
111.04436	13.5
113.06004	8.3
115.03943	7.0
117.07017	14.4
119.04987	3.8
119.08585	95.5
119.76349	2.8
121.06500	10.0
121.10155	23.8
123.04430	100.0
123.08060	8.5
123.11670	5.5
125.05981	10.0
125.09670	2.7
127.03919	11.9
128.06178	4.2
129.01814	9.6
129.05490	5.5
129.06995	8.2
131.04979	3.7
131.08606	15.2
133.06543	6.9
133.10146	25.2
135.08049	10.8
135.11717	36.6
137.05965	8.2
137.09610	12.3
141.05397	14.1
141.06995	4.3
142.07782	10.8
143.08589	22.9
145.04974	5.5
145.10121	44.5
147.02887	8.0
147.08069	6.4
147.11694	16.3
149.05986	8.6
149.09621	3.2
149.13219	4.6
151.07545	25.4
151.11182	13.3
153.12767	8.9
155.07152	2.7
155.08594	7.6
156.09274	3.4
157.10129	25.0
159.02888	7.8
159.08047	9.1
159.11671	31.1
161.09570	5.1
163.11179	9.4
165.09059	5.2
165.12758	5.2
167.07077	23.0
169.10176	8.4
171.11765	6.8
173.09630	5.6
173.13304	3.8
175.11226	13.0
177.12787	8.3
179.07054	22.3
181.04973	4.2
181.10011	4.1
183.11710	12.5
187.11111	5.6
189.03886	14.5
189.12738	4.6
191.10602	3.5
197.08061	12.5
197.13239	9.8
201.03976	2.7
201.12701	13.5
205.08566	3.6
207.11710	7.1
215.14371	4.3
217.08603	5.7
219.13849	9.1
225.12671	13.7
231.04961	3.4
233.10036	3.9
243.13818	18.0
255.08664	3.4
261.14877	17.5
269.08234	3.4
273.16714	3.5
279.15869	2.8
289.08948	3.3
307.09656	4.3
309.08215	3.0
315.08435	17.4
323.12631	3.0
330.11053	16.1
339.12408	5.4
347.14905	8.9
351.12292	5.5
365.15891	9.5
368.12589	4.5
383.16434	16.7
401.16663	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01873	3.6
55.05518	7.8
57.03437	2.6
57.07078	9.4
59.04991	1.2
60.53349	1.2
61.02920	1.7
62.15399	1.2
63.44061	1.2
63.80490	1.1
64.96301	1.1
65.03923	2.2
67.05515	28.0
68.99787	3.9
69.03440	12.2
69.07076	22.0
71.01353	2.5
71.04997	2.9
71.51472	1.3
73.02931	3.3
79.05504	14.4
81.03433	9.2
81.07064	100.0
83.04992	9.2
83.08634	2.1
85.02917	18.6
85.06538	1.9
87.00839	8.8
91.05492	12.3
93.07054	34.1
95.04984	4.3
95.08615	64.8
97.02885	10.0
97.06531	3.7
99.04462	4.0
103.05489	1.4
105.01859	6.1
105.07040	9.8
107.04982	5.8
107.08605	27.0
109.02892	4.9
109.06534	4.4
109.10165	26.9
111.08082	2.3
115.03941	6.7
115.05450	1.4
117.07020	2.9
119.08597	7.7
121.06509	3.6
121.10168	7.4
121.10957	1.5
122.17003	1.3
123.04457	3.1
123.08102	2.3
123.11697	1.5
127.03947	11.3
129.01843	3.2
129.07056	1.4
131.08591	3.6
133.06577	1.5
133.10150	4.7
135.08130	2.7
135.11707	20.8
137.05994	3.8
137.09613	2.0
137.13271	32.6
139.07555	1.6
143.08600	1.4
145.04976	3.5
145.06561	1.3
145.10139	1.9
147.08087	2.1
147.11702	2.5
149.06015	1.7
149.09662	2.9
151.07559	2.3
151.11214	2.5
153.12761	5.9
156.05750	2.5
157.10109	2.0
159.02892	2.6
159.08078	3.7
159.11751	3.6
161.04393	1.3
161.05933	1.3
161.13272	1.4
163.07668	1.2
163.11172	2.2
165.09132	1.7
165.12790	7.5
167.07082	9.9
177.05463	2.1
177.09123	2.3
177.12727	3.2
179.07062	1.3
179.10693	1.5
181.04910	2.5
181.08711	1.8
189.03938	1.5
189.12776	2.7
195.13864	2.1
201.12766	1.7
205.08611	2.5
207.13792	3.3
217.08598	3.1
219.05016	1.3
219.08005	1.7
219.10130	1.5
221.15355	3.0
231.05212	1.5
234.10371	1.4
243.13873	4.1
247.09698	1.5
261.14978	4.8
267.65088	1.2
269.08200	1.6
276.07956	1.2
279.16138	2.0
282.08914	1.8
291.10281	1.4
297.16898	1.9
315.08600	7.5
330.10959	6.8
337.10709	1.6
347.14795	3.5
351.12317	1.8
368.12982	1.9
383.14685	8.7
401.16064	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	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.1
55.01878	16.2
55.05509	11.4
57.03436	9.5
57.07073	5.0
61.02932	14.0
66.66766	1.4
67.05505	16.3
68.99793	10.8
69.03430	52.4
69.07066	27.4
69.64421	8.9
71.01344	1.7
71.04996	8.4
73.02929	10.1
76.31111	1.7
79.05485	14.3
81.03418	49.7
81.06599	2.7
81.07060	48.8
83.01367	2.2
83.04977	5.9
83.08620	9.4
85.02907	100.0
85.06542	2.6
87.00830	43.2
87.04451	2.1
91.03931	3.0
91.05496	11.6
93.06484	2.9
93.07042	41.9
95.04967	10.6
95.08604	35.9
97.02304	2.9
97.02898	49.9
97.06531	26.5
99.04452	20.0
99.08079	2.1
103.03932	5.4
105.01867	37.2
105.07038	18.4
107.04950	3.9
107.08592	49.5
109.02879	43.2
109.06509	9.9
109.10165	18.3
111.04426	6.1
111.08082	3.7
113.02405	1.6
113.05979	2.2
115.03935	4.4
117.01859	5.3
117.07034	5.8
119.08579	19.7
121.06514	6.0
121.10168	8.0
123.04430	14.2
123.08073	6.0
123.11716	5.7
125.05996	2.7
125.13292	3.0
127.03924	67.1
129.01848	14.5
129.06934	1.9
131.08589	7.9
133.06534	2.0
133.10155	10.3
135.08052	5.6
135.10698	2.9
135.11693	42.9
137.05969	3.8
137.09604	5.1
137.13251	10.3
141.05484	1.4
141.07063	1.6
142.07721	1.7
143.08557	4.2
144.97311	1.7
145.03925	2.5
145.04970	30.9
145.10133	10.7
147.02914	9.5
147.08044	4.6
147.11659	7.7
149.05978	2.9
149.09639	3.3
149.13313	3.6
151.07532	5.0
151.11162	7.6
153.12752	27.4
155.08525	2.1
157.10152	5.0
159.02895	22.2
159.08122	3.5
159.11678	9.3
161.05936	2.2
161.09566	2.4
163.07518	2.9
163.11177	7.3
165.09116	2.0
165.12782	10.0
167.07040	3.9
169.10072	4.5
171.08144	1.7
171.11687	2.9
173.09673	3.2
173.13216	2.1
175.11209	4.5
177.12735	5.5
179.07039	2.6
181.04912	2.3
183.11708	2.7
185.09715	2.3
187.11140	3.4
189.03897	2.8
189.09132	1.6
189.12753	3.0
191.14468	2.3
193.12241	4.6
197.13316	2.4
201.12753	3.3
202.34395	1.6
203.10733	2.3
207.11742	2.4
207.13843	1.5
213.03905	4.3
213.74309	1.6
215.14217	3.9
219.04936	1.7
219.13728	3.7
221.08080	2.4
225.12720	4.4
231.05038	8.7
231.97157	1.6
233.15440	2.4
243.13837	9.7
261.14844	22.2
279.15823	4.0
297.16971	3.9
321.17007	2.9
347.14935	9.6
365.15781	8.1
383.16876	8.6
401.16812	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	401.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.05502	12.9
57.07066	6.5
61.61233	3.2
67.05517	16.3
69.07082	14.8
70.87743	7.9
71.04981	10.3
74.84956	3.4
79.05484	19.2
81.07068	30.0
83.08604	7.0
85.06556	3.5
91.05489	48.3
93.07056	49.0
95.04964	9.2
95.08617	22.0
97.06530	2.6
97.33993	2.5
103.05418	3.2
105.07039	88.1
107.08607	39.4
109.06524	60.6
109.10145	12.8
111.08085	4.5
115.05437	9.4
116.06189	3.2
117.07044	23.4
119.07731	4.7
119.08582	90.7
120.44528	2.8
121.06495	4.0
121.10149	21.6
123.08030	4.2
123.11761	4.4
128.06209	12.7
129.06979	21.2
130.07782	11.0
131.08566	61.8
133.10146	89.4
135.08063	18.6
135.11671	21.9
137.09610	6.7
141.06990	10.3
142.07803	29.8
143.08586	50.2
144.09338	11.9
145.10135	100.0
147.07997	9.7
147.11725	19.7
149.09608	5.6
153.07036	4.3
154.07739	4.2
155.08566	22.4
156.09387	19.7
157.10150	63.3
158.10918	11.6
159.11690	30.1
161.09656	5.9
165.07010	9.8
166.07704	4.7
167.08568	9.7
168.09357	9.4
169.10143	24.6
170.10895	12.4
171.11713	30.6
172.12479	5.5
173.13261	47.6
175.14809	12.2
179.08540	10.4
180.09326	3.8
181.10130	12.2
182.10896	11.4
183.11685	21.3
184.12469	4.0
185.13332	16.3
187.14812	46.1
189.12758	3.2
192.09372	4.0
193.10129	8.6
194.10890	7.9
195.11716	26.3
196.12485	3.8
197.13321	18.2
199.14804	21.1
201.12711	9.1
201.16524	4.4
206.10960	7.9
207.11778	13.6
208.12517	5.8
209.13257	27.5
211.14824	12.2
213.12738	7.0
219.11757	4.9
221.13255	18.9
223.14848	11.2
225.16330	3.8
231.11644	4.3
233.13184	4.5
235.14857	8.3
237.16411	7.8
239.17955	4.7
251.18034	6.4
261.16306	5.2
263.18082	3.7
265.19522	7.9
275.17920	4.1
287.17715	3.4
291.74786	3.2
317.22519	4.4
373.40723	3.1
377.71490	3.5
401.17615	4.4
401.28275	31.5
401.33163	4.5
401.38220	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	401.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	18.9
57.07055	7.9
59.84635	5.7
67.05505	31.1
69.07071	31.9
70.06566	10.1
70.18179	19.6
71.04983	6.9
75.74584	6.0
79.05482	19.4
81.07069	71.1
83.08617	12.8
85.06552	60.0
88.07623	9.5
91.05476	18.0
93.07051	61.0
95.08615	97.7
97.06487	9.3
97.10183	9.5
102.09220	8.9
105.06476	5.2
105.07043	48.4
107.08595	100.0
109.10159	46.8
119.08585	81.8
121.10151	61.4
123.08080	6.1
123.11695	25.7
131.08560	12.9
133.10141	53.8
135.11714	57.6
137.13237	14.8
145.10130	25.6
147.11707	30.5
149.13266	43.7
157.10106	7.7
159.11723	27.1
161.13284	45.3
163.11046	6.8
163.14845	42.8
165.12843	6.4
173.13319	7.4
175.14824	35.2
177.12727	7.2
177.16397	9.0
179.14290	17.0
187.14771	10.1
189.16371	44.4
191.17975	39.2
193.15936	12.9
195.13771	9.2
201.16385	11.0
203.17972	21.3
205.15797	6.7
205.19423	7.0
207.17491	44.1
214.17345	5.4
215.17976	6.8
217.19484	10.2
233.19087	6.7
339.34476	10.5
340.35785	17.6
383.33066	44.4
401.33627	37.1
401.38504	36.5
402.39328	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58531	30.1
56.95651	32.5
71.37909	67.8
73.12863	30.2
76.65317	32.6
78.52957	33.4
81.07039	54.2
91.05483	37.5
92.25613	30.2
98.77438	33.7
107.04948	43.6
109.10194	40.3
127.03920	42.7
133.10152	38.0
137.06012	41.3
140.16171	30.4
162.56407	33.5
167.07051	100.0
181.08659	79.0
182.09042	53.0
409.87711	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1366
Annotation	Nobiletin
Peak:m/z	Relative Intensity
53.03933	0.5
60.59136	0.6
67.05480	0.6
69.03416	1.8
71.51424	0.8
72.08178	0.7
72.94319	0.5
81.03413	1.9
81.07042	1.3
83.04979	0.8
84.90587	0.6
85.02909	2.8
87.00820	1.0
91.05499	1.1
93.07061	0.6
95.04967	1.3
95.08608	1.1
97.02905	1.2
97.06523	1.2
99.04401	0.8
105.07012	1.3
109.02879	1.7
109.06524	1.7
109.10146	1.9
116.16647	0.5
119.08598	0.8
121.06474	0.9
127.03922	3.4
129.01836	0.6
131.08597	0.9
137.05969	1.4
137.09618	3.3
145.10103	1.2
153.05487	0.7
155.10677	1.4
159.11671	0.7
167.07054	1.5
173.13246	0.7
181.04999	0.7
189.12756	0.7
191.03204	1.3
201.05498	1.0
206.05511	25.2
207.06314	1.2
219.06245	0.8
223.13153	0.7
355.11600	1.3
371.11734	0.6
403.13647	100.0
404.13910	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	403.1752
Annotation	Magnone A
Peak:m/z	Relative Intensity
55.11323	0.3
57.49241	0.3
66.04717	0.4
71.52261	0.6
71.57333	0.3
76.18501	0.3
79.05473	1.1
91.05481	2.2
94.04192	3.3
95.04990	0.3
102.27866	0.3
103.05466	1.6
104.13654	0.3
107.04946	0.8
115.05444	0.4
119.04950	0.5
121.06529	0.8
122.03659	8.7
129.07019	0.4
131.04930	3.7
133.06523	0.7
135.04456	0.5
136.05223	1.4
137.05983	100.0
138.06395	1.1
145.06511	1.1
147.04425	0.5
148.05188	2.9
149.05978	2.1
151.03929	0.4
151.07545	4.1
157.06517	0.4
160.05182	0.5
161.05978	2.6
163.07556	3.1
165.05470	3.1
166.06261	4.0
167.07050	0.7
174.06813	0.4
175.07564	5.4
176.08330	10.7
177.05489	3.8
177.09053	1.0
179.07054	4.2
181.08601	24.2
186.06764	0.3
187.07578	0.8
188.08365	0.4
189.09091	1.6
190.09892	1.0
191.07047	1.6
192.07852	1.7
201.09142	0.6
202.09943	0.4
203.07092	0.6
206.09366	0.4
207.10167	15.4
209.08025	0.3
218.09288	0.4
219.10162	0.4
221.08064	0.5
221.11740	1.2
223.09712	0.6
249.11201	1.7
261.09113	1.0
262.09772	0.3
267.12289	12.6
268.12439	0.5
277.08627	0.6
278.09253	0.4
279.12427	0.5
293.11758	0.9
294.12540	0.5
303.10226	0.4
304.10846	1.5
305.11743	0.9
320.10486	0.5
321.11249	1.2
325.14319	4.6
335.12802	6.3
336.13510	2.2
353.13846	5.5
367.15396	3.7
368.15839	0.4
385.16446	7.8
403.17661	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	403.1754
Annotation	Beilschminol A
Peak:m/z	Relative Intensity
67.05518	2.5
69.07065	2.7
70.42728	2.9
70.43079	6.5
79.05489	7.6
81.03423	2.1
81.07050	4.2
88.98074	1.9
91.05487	6.8
93.07054	3.7
94.04208	3.5
95.04971	1.9
95.08627	4.5
105.07023	6.8
107.04906	2.4
107.08614	2.4
109.06532	3.7
115.05477	3.1
117.07012	4.1
119.08572	3.1
121.10126	2.5
122.03666	8.2
129.07025	3.6
131.04951	3.8
137.05991	96.5
141.99519	2.3
143.04947	3.9
143.08553	3.9
145.06509	5.9
147.11702	2.7
148.05179	3.9
151.03842	2.9
151.07550	6.5
159.08064	5.8
160.05235	4.5
163.07613	3.2
165.05504	7.2
166.06268	13.1
167.07066	6.8
171.11775	2.1
173.06003	4.0
174.06662	3.0
175.07579	22.8
176.08392	4.1
177.05444	4.9
179.07112	2.9
181.04950	3.0
181.08623	38.1
187.07553	15.0
188.08371	6.3
189.05507	3.0
189.09106	4.4
199.11024	2.1
201.05548	6.2
201.09116	4.3
202.09886	14.1
203.06990	3.2
204.07840	7.6
205.08633	2.8
207.10184	5.5
211.07562	2.4
216.07764	2.4
217.08513	3.8
218.09412	4.4
219.10139	11.7
228.07846	4.5
231.10179	24.9
233.11685	4.9
239.07076	3.1
240.07843	13.9
241.08595	7.3
249.09087	4.5
256.07376	12.8
261.09027	5.3
261.11392	18.7
262.09930	3.2
263.10577	3.5
265.08511	2.9
267.12244	5.2
269.08105	8.1
270.08768	4.5
271.09686	22.7
276.11456	3.8
277.08600	4.4
278.09534	3.1
283.09650	2.5
284.06940	2.6
284.10434	11.3
289.08493	3.8
291.10129	5.1
292.10944	3.8
293.08484	2.7
293.11746	7.6
294.09137	2.9
297.07553	3.5
299.09177	46.1
304.10880	4.4
305.08243	3.5
305.11584	5.1
306.08847	2.9
307.09647	4.2
309.11230	5.4
311.09189	2.3
314.11514	100.0
315.12115	13.5
321.11276	15.5
322.11819	2.4
323.12979	4.0
324.13574	7.4
325.10715	4.7
325.14362	2.2
327.12332	9.2
335.12827	8.9
336.13516	26.1
337.10675	6.7
340.13043	3.2
352.12985	6.6
353.13654	3.0
355.15305	9.0
357.17249	2.4
367.15408	39.9
385.16431	48.3
403.13495	4.3
403.24759	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	403.1754
Annotation	Tupichilignan A
Peak:m/z	Relative Intensity
52.59060	0.3
52.90035	0.3
53.03942	0.6
55.01853	0.5
65.03941	0.8
66.04709	0.5
67.05495	0.4
70.73415	0.8
76.15930	0.3
78.48057	0.3
79.05486	1.9
81.03414	0.6
81.07050	0.8
85.02921	0.4
89.03921	0.4
91.05490	1.8
93.07046	0.5
94.04190	3.0
95.05004	0.6
97.06547	0.4
103.05445	1.5
105.07037	0.6
106.04194	0.3
107.04992	1.8
109.02900	0.5
115.05446	0.4
117.07058	0.4
119.04936	0.5
121.06516	1.4
122.03662	10.1
123.04457	0.7
127.03854	0.5
129.07016	0.6
131.04950	3.5
133.06514	0.8
135.04448	0.5
136.05197	1.3
137.05986	100.0
138.06284	0.8
143.05017	0.4
145.06491	1.1
147.04462	0.4
147.08093	0.3
148.05144	2.1
149.06007	2.4
151.03922	1.5
151.07547	6.2
151.08679	0.5
153.05496	1.9
159.04399	0.6
159.08012	0.8
160.05202	0.5
161.06000	3.5
163.07562	2.0
165.05473	2.9
166.06282	3.4
167.03320	0.5
167.07059	8.8
173.05981	0.5
175.07581	4.4
176.08333	10.7
177.05492	4.5
177.09151	0.9
179.07062	4.2
181.05028	3.4
181.08611	16.8
186.06746	0.4
187.07562	1.2
188.08363	0.4
189.09100	1.8
190.09943	0.9
191.07069	1.3
192.07846	1.3
193.08682	0.4
195.10252	0.5
201.09152	0.9
202.09824	0.4
203.07050	0.6
205.08673	0.6
207.06604	1.0
207.10170	14.8
208.05466	0.3
209.08075	0.7
217.08597	0.8
218.09442	0.4
219.06517	1.1
219.10240	0.7
221.11673	1.5
235.09714	0.6
249.11261	1.7
252.09914	0.5
253.08623	0.5
261.09171	0.9
263.07126	0.5
266.09412	0.4
267.12308	13.4
275.07413	0.4
275.10602	0.5
277.08643	0.4
278.09341	0.4
279.12357	0.4
289.08783	0.4
290.09125	0.4
291.10147	0.8
292.10956	0.5
293.11652	0.7
294.12552	0.4
295.09671	0.6
299.09189	2.0
304.11050	1.8
305.08359	0.6
305.11783	1.2
306.08926	0.4
307.13165	0.7
314.11548	3.2
320.10498	1.0
321.11353	1.8
323.12582	0.3
325.14340	4.0
327.12201	0.4
335.12793	7.2
336.13394	2.2
337.10562	0.4
352.13113	0.5
353.09848	0.5
353.13870	6.6
367.15485	4.3
368.16068	0.4
385.11642	0.5
385.16495	6.7
403.12918	1.5
403.18576	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01861	6.2
55.05516	12.8
57.03436	4.5
59.85694	1.7
61.02918	2.4
67.05511	10.4
68.99786	3.4
69.03438	16.8
69.07067	24.4
70.79948	3.5
70.80277	2.2
79.05506	13.9
81.03423	15.5
81.07060	40.7
83.04965	4.6
83.08627	8.7
85.02908	18.3
85.06534	6.5
87.00829	10.8
91.05496	12.7
93.07042	17.0
95.04971	11.4
95.08614	16.5
97.02885	8.3
97.06520	3.8
99.04462	1.9
99.08108	9.9
103.03922	2.4
105.01877	3.7
105.07040	18.9
107.04960	7.3
107.08595	29.7
109.02878	11.2
109.06529	7.6
109.10147	7.1
111.08064	4.5
111.11743	12.5
114.67800	1.7
115.03922	2.8
115.05456	3.6
117.07041	5.0
119.08593	11.2
121.06503	6.9
121.10155	14.2
122.07272	6.5
123.04451	11.0
123.08083	2.6
123.11736	5.3
127.03927	29.3
131.08580	6.0
133.06500	2.6
133.10141	100.0
134.10509	2.4
135.04404	3.1
135.08051	10.5
135.11676	4.9
137.05992	4.0
137.09616	48.8
137.13257	6.3
139.11209	4.8
143.08527	3.4
145.10104	2.3
147.08002	3.3
147.11678	11.6
149.09630	4.8
149.13266	20.6
151.07544	4.1
153.12772	3.9
155.14368	2.1
156.09372	2.8
159.02956	2.5
159.11678	6.2
161.09621	2.3
161.13295	9.8
163.14862	2.5
165.12747	7.0
167.07028	17.3
173.13266	8.0
177.12767	4.4
179.14265	4.1
181.04886	3.0
183.13731	2.0
185.13301	3.0
189.03906	2.2
189.12740	4.4
191.14323	49.8
201.05371	2.2
203.14287	6.7
209.15276	3.2
213.03918	7.7
221.15358	6.2
227.14336	5.9
241.89040	2.0
245.15381	15.1
263.16360	11.7
281.17606	3.0
317.17459	2.8
317.61691	2.0
318.82874	1.9
349.16483	7.9
367.17575	5.8
385.18503	2.9
403.20224	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	403.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32726	2.6
53.03941	16.6
55.01870	7.5
55.05501	15.4
57.03426	9.1
57.07071	9.1
59.04996	4.5
61.02933	3.3
61.66943	2.7
67.05499	12.7
68.99793	5.2
69.03433	68.7
69.07076	32.0
70.69142	7.0
71.04992	36.3
73.02909	4.4
79.05495	11.9
81.03423	66.9
81.07059	93.0
83.05020	3.3
83.08630	7.3
84.08144	3.1
84.32259	2.8
85.02909	66.5
85.06549	28.9
86.09717	20.7
87.00828	24.1
91.05499	7.6
93.07037	14.0
95.04970	18.2
95.08613	65.1
97.02898	23.1
97.06527	5.8
97.10146	4.8
97.56781	2.7
99.04459	76.6
99.08093	23.4
105.01881	3.9
105.07028	5.6
107.04942	16.1
107.08595	12.6
109.02890	44.9
109.06516	14.4
109.10167	10.5
111.04472	6.7
111.08086	5.2
111.11770	3.1
117.07038	4.8
119.08574	9.9
121.02860	3.6
121.10177	4.5
123.08106	4.8
125.09631	3.1
125.13263	3.9
127.03922	100.0
129.01872	6.5
129.06897	3.2
131.08615	3.3
133.10153	3.6
135.08096	10.7
137.05992	10.3
137.09604	4.5
137.13261	39.6
143.11862	4.7
144.17154	2.8
145.04991	6.1
145.10188	4.5
147.08083	6.9
149.09639	10.3
149.13274	3.7
151.07567	3.4
151.11205	11.1
153.09106	4.9
153.12752	3.1
155.06978	3.5
155.08183	5.5
155.10733	6.5
155.14304	91.1
161.13394	3.6
163.11200	4.5
165.09096	5.7
167.07042	4.9
169.12265	11.1
173.15385	43.6
181.04973	4.8
187.05969	13.5
209.08252	2.9
211.13275	48.4
213.03934	24.6
217.55392	2.6
218.96513	3.2
223.13257	5.9
231.04999	41.6
233.15186	3.5
241.14339	7.4
256.98578	2.8
263.16507	3.5
279.18506	2.7
311.06403	4.7
338.49033	2.8
353.07645	8.7
367.17300	5.1
377.82990	3.0
385.18591	6.3
403.11124	4.7
403.19449	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	403.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01870	2.5
55.05515	5.2
61.02918	3.4
61.57537	2.1
67.05501	6.3
68.40314	2.2
69.03439	15.8
69.07073	3.5
70.06591	3.0
71.03158	2.3
71.04979	4.3
71.08296	5.1
71.68114	2.1
72.08165	24.9
73.02926	2.8
75.07259	2.0
79.05499	8.4
81.03431	4.2
81.07049	4.4
83.04979	12.0
84.04472	2.1
85.02914	24.3
85.06548	4.1
86.09708	21.1
87.00829	4.0
87.04504	2.6
91.05489	21.3
93.06485	4.4
93.07052	58.0
93.07639	3.8
94.31414	2.3
95.04992	8.5
95.08623	6.3
97.02889	6.5
97.06536	4.4
99.04456	6.2
103.05479	2.2
105.04465	2.6
105.07026	9.4
107.04327	2.6
107.04932	12.9
107.08607	9.8
109.02889	6.0
109.06543	5.7
109.10159	3.4
111.08057	4.5
117.07034	3.4
119.04922	2.5
119.08635	5.1
121.06514	100.0
121.10186	5.5
123.08081	3.3
127.03929	7.3
127.07583	10.7
129.01866	2.4
133.06517	2.7
133.10139	2.9
134.84323	2.8
135.08083	8.5
137.02351	4.3
137.05980	10.5
137.09605	4.3
139.07545	5.4
145.04936	6.2
145.10083	3.4
147.04387	2.2
148.94783	2.3
149.02307	4.2
149.05978	3.0
149.09660	5.6
151.07607	2.8
153.09128	3.3
155.07033	3.0
155.10672	8.6
157.10136	3.0
159.11746	12.6
161.05968	2.6
161.09514	2.5
163.11182	3.1
165.05521	2.8
167.07040	5.1
173.05721	2.1
175.11143	2.9
177.12807	6.8
179.10710	4.7
181.05008	3.5
187.07506	3.6
187.11057	6.5
201.05595	2.9
201.12363	3.5
205.12234	61.0
207.06528	3.3
223.13293	38.1
233.11459	2.8
241.14557	3.0
272.12347	3.8
357.08240	2.6
373.12827	12.2
403.13928	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01859	10.9
55.05503	7.9
57.03440	5.9
61.02926	5.5
66.28412	3.4
67.05482	11.5
69.03432	34.5
69.07062	5.7
70.06596	5.6
71.04984	11.5
71.51340	3.2
72.08149	7.2
73.02894	7.2
79.05495	23.3
79.86482	3.5
81.03430	20.3
81.07033	12.0
83.04966	4.7
84.08112	4.4
85.02911	60.4
86.09721	8.3
87.00806	10.8
87.04447	4.0
87.85734	3.3
91.05480	37.3
93.07037	36.9
95.04961	13.8
95.08592	18.2
97.02890	21.5
97.06514	10.6
98.97611	5.4
99.04437	22.5
103.05430	6.0
105.01869	20.9
105.07037	62.0
107.04988	6.8
107.08601	56.3
109.02862	16.1
109.06515	13.1
109.08360	3.5
109.10124	7.5
115.05464	4.4
117.06995	13.3
119.04954	19.4
119.05715	3.3
119.08585	35.9
121.06514	34.0
121.10113	11.6
123.04461	9.5
123.08057	13.7
124.03936	5.3
127.03918	23.0
129.01865	9.2
129.07034	6.8
130.07802	5.5
131.04936	6.7
131.08566	20.4
133.06419	9.5
133.10132	26.2
135.04465	5.2
135.08063	21.3
135.11703	7.7
137.02319	6.2
137.05930	20.9
137.09564	18.8
139.07523	4.7
142.07759	9.6
145.04980	17.4
145.06453	5.2
145.10124	76.1
146.07268	5.9
147.04420	16.6
147.08043	16.5
147.11707	18.6
149.02353	5.2
149.05975	7.5
149.09587	11.5
149.13272	4.6
155.10635	8.9
157.10120	14.9
159.08015	10.2
159.11679	30.2
160.08850	11.8
161.05898	4.8
161.09615	9.5
163.07559	4.8
163.11160	20.7
164.07011	3.8
165.05492	8.4
167.07001	14.4
167.10651	6.1
175.03941	4.6
175.09796	6.7
175.11192	100.0
177.05435	4.6
177.12700	7.1
180.28242	3.6
187.11235	20.0
193.04959	40.8
193.12254	20.5
205.12262	59.2
211.06067	22.5
217.11885	3.9
223.13316	57.8
231.05104	10.4
241.14357	90.9
261.07349	3.8
275.09146	6.0
276.09409	11.5
305.07947	4.0
341.01746	4.5
373.12720	14.6
385.12848	4.6
398.61853	3.5
403.14145	63.7
404.18469	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	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.7
55.01870	6.5
57.03447	5.7
61.02925	4.0
66.54331	1.0
68.99789	2.0
69.03435	29.3
71.04989	3.0
71.24418	1.2
73.02915	5.5
81.03427	24.9
83.01305	1.0
85.02911	100.0
87.00314	2.3
87.00836	38.1
87.04455	1.2
91.03924	1.3
91.05476	2.2
93.07053	4.0
97.02892	24.7
99.04461	12.6
103.03939	4.6
103.05489	2.4
105.01874	55.2
105.26257	1.1
107.05015	1.1
108.04474	3.2
109.02888	25.4
115.03964	1.2
115.14627	1.0
117.01859	2.3
117.65688	1.0
117.71196	1.1
118.31676	1.1
119.04984	1.3
121.06524	35.8
121.07394	2.4
124.03946	2.2
127.03925	61.0
129.01840	3.3
145.04973	35.2
145.06467	3.1
147.02914	2.3
159.02922	11.9
163.07555	3.0
167.03578	1.1
187.07532	4.9
189.03955	11.7
205.08632	4.2
213.04004	3.2
229.08644	4.2
230.06616	1.5
231.05023	26.5
247.09793	5.2
248.07509	1.9
249.06084	6.6
266.08600	1.1
268.08145	1.3
333.09659	2.6
369.11765	2.6
404.16351	5.4
404.21094	1.7
428.33112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68726	1.1
66.04713	1.8
69.66140	5.6
79.05519	1.7
91.05471	3.4
94.04192	3.3
95.04494	1.5
103.05472	5.2
104.05789	2.0
106.24489	1.0
107.04909	1.6
121.06490	1.3
122.03660	7.5
123.04016	3.7
124.75961	1.1
131.04922	8.4
132.05246	5.2
136.05229	2.2
137.05983	100.0
138.06313	54.0
148.05243	5.4
149.05659	3.7
150.06366	1.3
151.03929	1.5
151.07556	7.0
152.07887	3.7
161.05981	2.3
162.06361	2.0
163.07570	5.8
164.07927	3.8
165.05486	2.3
166.06160	3.7
167.06673	2.7
175.07544	4.9
176.08237	10.7
177.05452	2.4
177.08705	7.4
178.05797	1.8
179.07040	4.1
180.07425	1.9
181.08591	42.9
182.08945	31.5
189.08861	1.3
190.09605	2.1
192.07608	1.8
193.08235	2.2
207.10205	11.1
208.10492	13.8
219.09984	1.0
223.09673	2.8
224.10101	1.4
247.09538	1.4
249.11139	2.0
267.12329	7.1
268.12616	10.2
278.09109	1.2
280.15695	0.9
305.11450	2.4
306.12134	2.1
322.11566	2.7
326.14700	3.9
336.13104	9.5
337.14066	4.7
354.14160	8.8
355.15894	1.1
368.15710	7.5
386.16803	30.0
404.17987	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	404.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21810	2.0
66.98566	2.1
67.09538	2.2
70.93661	4.8
79.05485	2.8
91.05485	4.5
94.04178	3.5
108.26491	2.3
121.06537	2.9
122.03668	12.2
123.04018	4.4
134.83755	2.1
137.05983	100.0
138.06317	61.2
145.06586	3.3
151.07599	11.9
152.07896	3.1
156.43994	2.4
161.05989	2.3
162.06410	2.6
166.05954	2.9
167.06711	2.4
176.08228	8.9
177.08768	9.0
178.05846	2.5
179.07007	4.8
180.07454	3.1
181.05042	3.0
181.08640	13.1
181.68890	2.4
182.08949	10.4
189.09137	5.6
207.10168	13.1
208.10567	12.4
247.09584	5.2
267.12271	7.2
268.12677	11.6
326.14679	5.1
336.12994	5.6
337.13904	3.7
354.14328	6.8
368.15784	4.8
386.16629	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	404.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62602	15.2
57.21872	16.2
69.64072	100.0
79.50528	15.7
137.05962	18.2
140.50082	16.2
181.04993	16.3
230.88063	17.8
404.25122	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.3
57.03445	2.3
58.94059	1.5
69.03397	1.3
69.07073	1.8
69.61206	8.3
79.05480	1.7
81.07052	6.2
83.04987	5.6
85.02913	22.7
86.09660	1.6
91.05501	2.7
93.07040	3.6
95.04959	2.7
95.08591	4.6
97.06554	3.4
105.07037	6.8
107.08609	6.9
109.06538	13.4
109.10136	3.3
109.60344	1.3
111.08096	5.5
119.08617	7.6
121.10167	12.9
122.07307	1.6
123.08065	4.3
123.11719	17.0
125.09657	1.7
127.70677	1.5
131.08614	1.6
133.10089	1.9
135.11647	1.7
137.06004	3.2
137.09634	30.2
139.19426	1.4
145.10136	3.0
147.08044	3.3
147.11702	16.6
149.09647	5.6
151.03874	1.7
161.13281	7.7
163.11174	2.8
165.09109	2.7
165.12770	100.0
167.07030	3.2
171.11758	1.6
174.10358	2.3
179.14339	9.5
189.12729	19.5
207.13821	51.5
218.07869	1.5
238.62991	1.7
311.25867	1.7
337.02014	1.5
346.96237	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71243	1.3
55.01871	1.7
59.05021	2.0
67.17310	1.1
69.03438	15.1
70.46981	4.6
81.03416	3.6
81.07050	1.6
83.05008	1.5
85.02915	15.4
91.05495	6.9
95.04994	2.4
95.08642	1.8
97.02882	6.3
104.15997	1.3
105.07035	5.3
107.08624	2.7
109.06532	22.1
111.08108	1.5
119.04999	1.4
119.08612	10.4
121.10166	3.9
123.08038	6.5
127.03938	2.2
129.07011	2.0
131.08597	20.9
133.06500	3.5
133.10159	1.7
135.08044	2.1
137.05966	1.5
137.86792	1.2
143.08701	2.3
145.04980	4.0
145.10095	2.7
147.08083	20.3
147.11684	3.1
149.09630	6.8
151.07562	100.0
156.09393	4.5
161.09634	2.0
161.13290	1.2
163.11191	5.1
165.12741	2.1
167.07068	2.6
171.11700	8.7
189.12773	45.9
207.13821	88.2
208.14082	1.5
225.14769	1.8
231.13876	3.1
351.17990	1.2
369.19168	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14527	2.0
69.03421	8.5
69.71848	12.2
79.05492	6.4
81.07051	3.0
85.02901	7.4
86.09702	2.9
91.05466	15.4
93.07056	16.0
95.08601	6.7
95.81361	2.1
97.06475	2.4
105.07034	10.6
107.08607	100.0
109.06528	2.7
111.90321	1.9
119.08566	5.1
121.06506	5.0
121.10120	11.2
127.03932	2.7
127.07542	6.1
131.08575	94.6
133.78658	1.9
137.05925	2.4
137.09608	5.0
145.10162	5.1
147.11705	19.7
149.09654	23.6
161.13187	2.2
171.11720	5.8
175.03941	3.4
185.67549	1.9
189.12759	95.8
189.14468	4.7
207.06499	4.5
207.13795	29.9
242.08119	2.4
274.94241	2.1
286.99393	2.0
309.38412	2.2
369.18768	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	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.1
57.03444	2.9
62.28054	1.1
69.03410	1.6
71.51784	1.8
72.08166	1.3
73.55163	1.4
79.05495	2.8
81.07059	6.7
83.05009	6.7
85.02904	19.0
85.06509	1.5
91.05492	2.9
93.07047	4.8
95.08594	4.6
97.06519	2.5
105.07026	4.5
105.45526	1.2
107.08611	9.9
109.06541	15.3
109.10161	2.9
111.08076	4.3
119.08601	6.1
121.10158	13.1
123.08012	6.1
123.11722	13.9
131.08524	1.6
133.10126	1.3
135.08087	1.6
135.11716	12.0
137.05986	2.4
137.08566	1.4
137.09633	28.6
139.11226	2.6
147.08058	1.8
147.11681	12.2
149.09621	4.1
153.12769	2.2
159.07956	1.4
161.09604	2.0
161.13277	8.6
163.11191	2.1
165.12767	100.0
167.07025	7.1
168.07370	3.1
171.11665	3.0
174.10400	2.0
179.14334	7.5
181.12282	15.2
189.12775	16.2
207.13829	48.0
229.02882	1.4
280.99023	1.7
387.95502	1.4
404.16013	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06546	1.2
55.01855	1.2
55.05512	3.6
56.23857	1.1
57.03426	2.0
58.15031	1.1
59.24321	1.1
63.08712	1.0
67.05526	1.3
69.03453	1.5
69.07073	2.1
71.51846	1.0
71.52248	1.1
71.88564	1.2
79.05484	1.9
81.03381	1.6
81.07056	5.2
83.04971	5.6
84.14169	1.2
85.02911	18.3
91.05477	2.1
93.07047	5.4
95.04935	2.0
95.08607	3.7
97.06531	2.8
105.07050	6.2
107.04960	1.7
107.08607	10.1
109.06520	14.0
109.10145	3.1
111.08081	5.8
119.08589	7.5
121.10154	13.5
123.04445	1.2
123.08066	5.7
123.11697	13.2
127.03912	1.2
131.08577	1.5
135.08076	1.6
135.11691	13.4
137.05983	1.4
137.08662	2.3
137.09624	22.1
137.13251	1.9
139.11169	1.6
145.10147	1.4
147.08150	2.3
147.11703	15.9
149.09619	4.6
153.12744	1.8
161.13303	7.4
165.12759	100.0
166.13069	1.3
167.07066	7.9
168.07425	3.3
171.11617	1.7
174.10428	1.7
179.14279	8.1
181.12241	14.4
189.12759	17.4
193.08505	1.5
199.88893	1.1
207.13797	53.2
404.16025	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	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54070	6.5
53.90812	6.5
53.95839	5.9
55.05504	25.1
57.03423	20.1
58.09938	7.1
67.05505	44.7
69.07063	18.0
71.03210	7.6
71.03561	16.6
71.08626	22.7
79.05509	40.5
81.07059	57.8
81.13022	6.2
83.04957	10.8
83.08614	15.7
87.44960	6.4
91.05476	27.0
93.07050	49.3
95.04977	6.4
95.08607	25.6
97.06522	12.6
99.08087	21.6
105.07006	20.0
107.08585	21.6
108.05231	6.9
109.10120	7.6
113.66093	6.9
119.08564	14.6
121.10129	13.9
125.09621	8.9
131.08578	8.6
133.10092	13.0
135.11671	12.3
137.05977	16.3
139.11157	7.1
145.10144	9.4
149.13248	20.4
151.11186	13.4
159.11699	17.5
161.13255	9.5
163.11154	9.4
177.12766	21.0
179.14250	9.8
195.13815	7.6
227.12878	10.9
259.20581	15.1
269.17474	100.0
277.21597	15.8
277.26291	7.3
281.10864	7.6
351.25308	36.8
371.61185	7.0
404.33820	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	404.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14533	3.1
53.03941	3.3
55.05514	23.6
57.03443	17.0
57.07082	4.9
59.04992	3.5
62.18499	3.0
67.05178	5.3
67.05509	55.8
69.07067	11.3
69.55766	17.1
71.08636	23.0
72.04340	3.2
79.05489	31.7
81.03436	3.6
81.07069	55.4
83.04980	10.6
83.08615	13.9
85.06570	3.9
87.74745	3.3
91.05481	25.9
93.07058	59.6
95.04975	9.7
95.08614	29.2
97.06529	10.3
97.10155	3.8
99.08092	15.9
103.94341	3.2
105.07047	17.0
107.08605	28.2
109.10178	8.9
111.08089	5.8
117.07031	11.0
118.16411	3.0
119.08603	11.8
121.10157	12.9
125.09649	5.7
131.08565	9.7
133.10136	11.2
135.11748	6.9
137.09862	2.8
139.11209	5.8
143.08504	3.8
145.10153	8.8
147.11739	5.3
149.13272	19.5
151.11168	13.2
159.11713	16.1
161.13293	10.3
163.11188	11.6
173.11667	8.7
177.12750	21.7
179.14351	9.8
189.11249	5.1
195.13820	11.5
195.88388	3.5
227.12781	8.9
241.19383	4.2
253.18089	5.9
259.20575	11.5
269.17517	100.0
277.21613	17.8
278.96310	3.4
279.75119	3.7
292.08481	3.2
351.25296	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	405.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01869	2.3
57.03441	7.5
59.05016	0.9
61.02937	4.9
64.27331	0.7
67.05495	0.7
68.99774	0.9
69.03085	1.2
69.03436	15.9
69.31754	6.4
70.06573	0.9
71.01338	0.8
71.04980	1.9
72.08147	2.2
73.02915	2.4
75.04461	1.1
78.80547	0.7
79.05482	1.0
81.03426	12.5
83.04978	1.2
84.04486	1.0
84.08144	1.1
85.02911	57.8
86.03234	0.9
86.09708	1.2
87.00809	1.3
87.04465	1.6
91.03965	2.5
91.05463	0.8
93.05549	0.7
93.07056	0.7
95.04975	1.7
97.02899	16.2
99.04446	5.3
103.03951	1.8
105.01846	1.2
107.04986	1.3
109.02897	19.6
111.00802	4.0
111.04464	1.0
115.03891	1.4
117.05479	2.5
119.04911	0.8
121.06503	1.8
122.06855	1.4
123.04407	1.7
125.02358	0.7
126.03139	9.9
127.03922	18.5
129.05411	1.0
137.05984	3.4
141.05479	34.5
145.04977	18.7
145.06157	0.8
147.04425	1.0
149.06050	1.1
155.07033	0.9
155.11839	1.2
159.06590	0.7
163.06059	2.2
164.07079	4.4
165.05498	1.1
167.07040	2.2
169.04977	100.0
175.10820	1.1
183.06667	1.3
201.07616	1.0
203.12108	1.1
211.05980	3.4
243.08615	0.9
287.31665	0.7
354.73178	0.8
369.21811	0.8
373.12946	1.8
377.65793	0.7
405.14307	3.1
406.14877	1.6
406.19806	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	405.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01873	1.7
55.03340	1.1
56.04502	1.0
56.96564	14.5
57.03432	3.4
61.02913	4.1
67.05516	1.3
69.03435	10.6
72.08165	5.8
73.02920	3.6
74.06085	2.1
75.65313	0.9
77.00916	1.1
79.05492	15.7
81.03420	3.5
81.07042	6.8
84.04508	1.8
84.08146	3.4
84.96032	3.2
85.02905	25.7
86.03231	1.4
86.09708	1.8
87.04482	1.4
89.03957	1.1
91.05479	4.8
93.95070	1.1
95.01910	1.1
95.08605	3.5
97.02891	9.5
98.03189	1.1
98.97581	25.1
99.04461	2.0
99.97910	1.7
101.00880	3.5
102.96910	1.7
105.04517	1.2
105.07048	2.5
107.04939	2.6
107.08595	11.3
109.02895	2.6
109.06559	5.8
110.06084	1.6
110.97569	5.4
111.04454	1.5
112.07628	1.1
113.00880	3.0
115.00690	1.4
116.98640	9.2
119.01923	6.4
119.04903	2.3
121.06510	3.1
123.04464	1.0
124.99109	1.4
127.03912	4.9
128.98595	4.6
130.08650	3.6
131.00148	1.4
131.01895	8.3
133.03429	2.7
137.05989	27.9
138.06328	2.1
143.00146	3.0
143.01881	5.3
143.10672	2.4
144.98087	1.4
145.03519	2.3
145.04956	3.4
146.99628	1.7
147.01370	1.2
150.61926	1.1
155.01895	5.5
156.02605	1.4
158.99667	10.2
161.01302	1.4
161.02972	6.4
161.04173	1.1
162.99121	1.5
163.03940	3.0
165.07579	2.0
169.05342	4.0
170.99644	4.0
171.03291	1.2
171.08652	3.6
172.05710	3.8
173.03043	2.2
173.13072	1.4
175.02815	2.4
177.00743	7.4
180.05493	1.9
181.07344	1.5
183.08693	8.2
185.03000	1.4
187.04449	2.7
187.06432	2.4
189.05951	1.8
189.07597	1.2
190.06679	1.8
195.08673	3.4
197.01295	1.5
197.04904	2.4
199.06468	2.9
199.08199	2.0
201.00674	2.3
201.09790	7.1
201.11430	1.3
203.02271	2.1
203.04004	10.9
207.08527	5.4
211.02776	4.6
211.08391	1.1
213.00642	2.1
213.04315	1.1
213.07985	1.7
215.05919	1.3
217.05513	2.5
217.07500	3.5
218.04669	1.4
219.01828	7.9
221.05078	36.6
222.05276	1.3
223.04741	2.6
225.07806	1.7
225.09747	13.5
229.03893	3.6
233.06752	4.1
233.56912	2.1
237.02904	7.7
237.09753	9.4
239.05972	3.1
239.11278	2.2
241.07352	2.0
243.05205	1.5
243.10873	9.7
243.55478	1.3
244.06050	4.3
244.56268	1.3
245.60172	3.6
246.10345	1.7
246.56621	1.1
247.08293	2.4
249.09744	2.2
253.03587	1.2
255.10857	9.3
257.06937	1.6
257.12231	1.8
258.10193	1.2
261.02979	1.4
261.09824	2.0
261.12122	1.2
267.10925	2.0
271.87375	1.2
273.11917	2.0
279.03787	2.1
279.10764	2.2
285.11819	5.0
289.06210	1.3
297.11942	8.0
306.11530	1.6
309.08539	1.3
315.13202	1.5
327.12866	4.3
339.12183	2.2
339.62030	1.4
340.12720	4.5
340.62610	2.8
341.13715	2.6
345.14017	100.0
346.14331	1.8
357.10291	3.4
359.10056	3.2
361.11765	5.6
362.11771	1.7
363.15222	11.0
373.07895	1.4
379.12900	5.8
405.09680	5.1
405.15775	27.6
406.11386	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	405.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96300	1.3
56.96564	16.5
66.55576	0.7
69.47305	2.4
69.47716	2.5
74.97597	1.2
79.05483	2.2
84.96027	2.4
85.02902	1.6
86.97603	1.1
98.97591	31.9
101.00848	0.9
107.08580	2.8
110.97588	4.3
112.99141	2.3
113.00861	1.1
116.98637	6.1
119.01938	2.0
124.99127	7.4
126.97051	1.1
127.00655	1.0
128.98624	2.4
131.00165	0.9
131.01906	2.2
133.03349	1.0
134.99640	0.9
136.99130	2.0
143.00180	8.0
143.01888	1.9
144.98079	1.9
145.03543	1.0
145.04918	0.8
151.04308	5.7
153.02237	6.9
155.00185	4.2
155.01801	1.0
155.03853	1.4
157.01663	1.1
158.99658	14.6
159.00891	1.2
161.01277	1.7
161.02904	1.6
169.05383	39.2
171.03317	12.5
173.01227	2.2
177.00714	5.7
179.03851	1.6
181.05365	2.1
181.07025	1.2
183.08687	2.8
185.01266	5.2
185.02684	1.0
185.04843	0.9
187.06432	24.8
189.04340	4.6
189.07588	0.8
197.04932	3.7
199.06451	19.7
199.08110	0.9
201.04355	1.5
201.09729	1.2
203.02272	11.3
203.04021	6.0
205.07622	1.5
207.08669	1.5
210.49106	0.8
211.06331	1.2
213.04352	8.6
215.05891	1.8
217.07495	10.3
219.01749	1.4
221.03307	10.8
221.05138	10.4
223.06401	2.2
225.09721	3.1
227.05850	1.0
231.05382	6.0
235.08521	4.9
237.09631	3.6
239.04280	1.3
241.07468	3.5
243.10873	1.1
253.09608	1.1
255.10799	1.5
259.08551	11.4
271.08398	1.8
273.11951	0.9
277.09680	6.2
285.09943	5.3
289.09528	1.2
297.11789	2.4
299.08054	3.4
303.11218	3.1
315.10950	0.9
317.08978	1.9
327.12985	2.3
345.12039	32.3
363.13181	68.5
364.13614	1.3
386.14948	0.9
405.14337	100.0
406.14822	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	405.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01869	2.4
63.41826	1.0
65.03960	6.6
67.05505	3.9
69.03420	2.2
69.35938	7.7
79.05495	5.8
81.03420	4.8
81.07063	1.7
82.04198	2.1
85.02905	4.0
91.05486	2.0
92.92522	1.1
93.03397	1.6
95.04967	2.4
96.85004	1.1
97.06516	1.6
103.05488	1.9
105.07018	1.3
107.04958	15.6
108.02077	1.2
109.06564	1.2
110.03656	3.0
111.04420	1.6
115.05456	4.0
117.07018	1.7
122.03656	2.2
123.04419	1.8
124.05183	1.5
125.06001	2.7
127.03946	2.6
128.06227	3.0
129.07016	7.0
131.04909	2.6
133.06485	1.6
137.05994	32.7
138.03169	1.2
142.02608	2.9
143.04929	4.2
144.05687	1.3
145.06502	4.1
151.03918	15.3
151.05006	2.0
153.05481	6.4
155.07089	1.4
157.06494	9.3
159.08064	1.5
160.05237	2.4
161.05991	4.4
161.09689	1.4
165.05467	2.1
166.02544	1.1
167.07047	32.5
171.04437	4.4
171.06525	3.2
172.05252	4.8
173.05994	2.8
175.07552	6.1
181.04965	100.0
182.05392	1.2
183.06473	1.1
187.07581	4.8
189.05487	2.6
189.09073	8.5
191.07050	4.6
195.06512	3.9
200.04721	2.0
203.06979	12.2
205.04982	1.4
205.08659	3.9
206.05766	3.0
207.10185	1.3
212.66847	1.2
212.79814	1.1
218.05759	4.1
218.18501	1.0
219.08211	1.5
219.10146	2.0
221.08102	8.1
233.08102	43.7
235.09680	3.0
245.08092	2.4
247.07442	1.4
249.09097	2.9
251.09213	3.0
263.06848	1.4
263.09186	9.7
265.08789	1.3
277.08606	3.4
293.08093	1.7
294.09378	1.0
305.07864	1.7
309.11157	3.1
325.10721	2.1
337.10800	5.0
341.13837	2.6
351.12274	2.9
357.13370	11.4
369.13425	6.9
375.14349	1.9
387.14444	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	405.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01860	0.9
65.03951	5.9
66.04738	0.8
67.05482	3.4
69.03413	3.2
69.07053	1.1
71.52929	1.1
71.53334	1.1
76.50080	0.7
79.05492	7.9
81.03418	6.3
81.07047	2.6
82.00546	0.9
82.04182	1.6
85.02903	5.2
91.05475	3.7
93.03400	1.5
93.07069	1.5
94.04176	1.5
95.04956	2.7
95.08609	2.0
97.06537	4.2
97.87933	0.9
103.05438	1.9
105.07021	2.7
107.04961	17.5
107.08601	1.2
108.02077	2.2
109.02848	1.2
109.06514	2.7
110.03661	2.5
111.04463	1.9
115.05470	6.1
115.12323	0.9
117.07007	3.0
119.04946	1.3
119.08586	2.3
120.02090	0.9
121.06486	1.9
122.03653	2.6
123.04438	4.6
124.05228	2.5
125.05970	4.2
127.03888	2.0
127.48962	0.7
128.06201	3.5
129.06990	8.7
131.04898	2.5
131.08548	2.3
133.06506	2.2
134.03613	1.0
137.05978	41.5
138.03136	2.0
141.05501	1.0
142.02592	2.8
143.04932	4.6
143.05884	0.8
144.05719	2.5
145.06505	5.4
147.04398	1.4
147.08041	2.1
149.05940	1.5
151.03906	29.3
151.05002	2.7
151.07526	2.0
153.05426	4.3
155.06000	1.4
157.06493	9.7
158.07277	0.9
159.08040	1.6
159.11592	1.0
160.05200	3.0
161.06018	4.6
161.09607	1.9
161.13324	0.9
163.03870	1.0
163.07587	1.4
165.05467	1.5
166.02608	1.1
167.07039	39.8
171.04324	4.2
171.06575	4.0
172.05212	6.1
173.05956	3.2
174.06738	3.3
175.07552	7.9
177.05458	1.1
177.09109	1.1
179.06921	1.2
181.04958	100.0
183.06535	1.7
187.07549	5.1
188.04791	1.1
189.05461	3.0
189.09135	10.9
191.06984	5.1
191.10721	1.8
193.86481	0.9
195.06496	3.6
200.04845	1.7
201.05414	1.6
201.09181	1.3
203.07027	13.1
203.08757	1.3
205.06703	1.8
205.08620	6.0
206.05754	2.5
207.06528	1.2
207.10019	1.1
215.06998	2.2
217.08517	1.0
218.05688	3.9
219.06355	1.6
219.08212	1.6
219.10132	3.1
221.08020	8.3
231.08138	1.1
233.06137	1.6
233.08075	41.8
233.11732	2.1
234.06551	1.3
235.07524	1.0
235.09650	1.9
237.09125	0.8
239.06877	1.0
245.08186	2.2
247.07579	1.4
249.09105	1.3
251.09142	3.7
251.12715	2.4
259.09732	1.2
263.06982	0.7
263.09198	11.3
265.08624	1.5
277.08563	2.9
279.10165	1.0
291.10245	1.7
293.08157	2.0
294.08826	1.0
297.11313	1.8
301.07056	1.1
305.07935	1.4
309.11053	4.2
311.09232	0.9
325.10785	2.9
327.12234	1.4
337.10709	4.9
338.10974	1.4
341.13760	1.9
342.10931	1.7
351.12308	3.5
357.13333	11.3
369.13293	8.8
371.14719	1.1
375.14066	1.2
387.14389	25.5
405.19403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
53.04619	0.9
55.01867	2.0
55.05531	1.0
61.27906	1.0
65.03948	8.6
67.05500	4.2
68.80249	1.1
69.03426	4.1
69.07059	1.1
70.87048	1.6
70.87385	2.2
74.81592	0.9
78.04719	1.1
79.05479	7.0
81.03416	6.6
81.07057	1.2
82.04200	1.9
85.02908	5.6
91.05490	4.3
93.03399	2.1
95.04960	4.2
97.02869	1.2
97.06539	1.4
103.05453	1.4
105.07034	2.1
107.04966	17.7
108.02114	2.5
109.02893	1.3
109.06529	1.4
110.03672	3.6
115.05453	5.7
117.07019	2.4
119.04950	1.2
120.98718	1.2
121.06523	1.2
122.03675	3.0
123.04452	2.6
124.05228	3.5
125.05991	4.4
127.03912	4.2
128.06198	2.6
129.07005	8.4
131.04974	1.6
133.06531	2.0
137.05980	35.4
138.03122	2.9
142.02638	2.4
143.04936	3.9
144.05653	1.3
145.06508	6.4
147.04414	2.1
147.07993	1.8
149.06035	1.4
151.03920	18.4
151.05006	1.3
152.04663	1.6
153.05440	5.2
155.06029	1.4
157.06496	9.1
159.08070	2.0
160.05240	2.6
161.05977	5.3
161.09579	1.8
167.07048	37.2
171.04404	5.7
171.06573	2.8
172.05257	5.3
173.06007	2.9
174.06743	2.6
175.07571	5.3
179.07213	1.3
181.04962	100.0
182.05377	1.3
185.38055	1.1
187.07544	4.0
188.04681	1.2
189.05453	3.5
189.09148	10.6
191.07040	3.9
195.06543	4.1
200.04663	2.3
203.07042	13.2
205.08572	5.8
206.05724	3.0
215.07074	1.3
217.08687	1.3
218.05760	3.6
219.10019	1.6
221.07997	8.0
233.08095	42.6
233.10455	2.3
234.06723	2.2
235.09698	2.1
245.08110	2.2
247.07605	1.6
248.08365	1.6
251.06955	1.5
251.09200	3.4
263.09167	8.0
265.08517	2.4
277.08667	1.6
291.10175	1.3
293.08194	2.6
297.11182	1.4
301.07199	1.3
302.11667	1.1
305.08157	1.3
309.11310	1.9
319.52136	1.0
322.08533	1.3
325.10727	3.1
337.10715	4.3
341.13910	2.0
342.10822	1.5
351.12296	3.8
354.10898	1.4
357.13318	11.4
369.13266	7.4
375.14288	2.3
387.14410	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	405.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	18.8
57.03429	0.7
58.23785	0.7
63.01541	0.6
69.03390	1.5
69.95039	3.6
73.02883	1.1
74.97606	1.4
79.05493	8.9
81.03381	1.0
84.96036	3.8
85.02876	3.2
86.97607	2.0
86.99296	0.8
91.05498	1.1
95.08591	2.5
96.51090	0.7
97.02888	1.7
98.20728	0.7
98.97588	37.6
101.00877	4.9
107.08600	8.6
110.97568	5.4
112.05061	1.4
112.99106	3.6
113.00840	3.1
115.02428	1.8
116.98622	7.1
119.01933	7.2
124.99117	7.0
127.00636	1.2
127.02425	0.8
128.98578	2.4
130.93259	1.9
131.00140	1.3
131.01888	6.7
133.03444	1.5
134.99678	0.8
136.99100	1.4
137.00815	1.6
137.05927	1.2
139.00540	0.7
139.02332	0.9
140.98578	1.5
143.00204	7.8
143.01891	11.9
144.98042	1.7
145.03427	2.1
147.01311	1.1
149.02829	1.2
151.04271	6.4
152.05598	1.3
153.02254	6.1
155.00279	3.9
155.01880	6.2
155.03818	1.0
156.02657	1.3
157.01782	1.0
157.03433	1.6
158.99675	15.2
161.01196	2.6
161.02910	9.3
161.04234	1.5
163.05934	1.1
165.07578	0.7
169.05382	39.5
170.99564	1.0
171.03288	12.8
171.08617	1.9
172.05649	2.7
172.94292	3.3
172.97607	0.9
173.01196	3.0
173.02917	3.7
177.00717	5.1
179.03778	1.4
181.05429	1.7
181.07060	3.9
183.03229	0.8
183.08699	12.8
185.01149	5.2
185.02948	2.8
187.06424	24.4
189.04326	4.5
189.07581	1.1
190.95427	1.7
191.02193	1.0
195.08583	2.8
197.04816	3.0
198.77562	0.7
199.04733	1.3
199.06451	20.7
199.08150	2.9
201.00694	1.2
201.04250	1.9
201.09708	4.8
203.02203	13.5
203.03970	24.8
204.96953	1.2
205.07030	1.0
207.08655	7.9
213.04352	8.1
213.09589	0.9
213.20479	0.8
214.95331	2.5
215.05995	1.0
217.07523	9.7
219.01685	2.1
221.03247	8.9
221.05112	51.3
223.06317	1.9
225.09726	13.8
229.07104	1.0
231.05417	5.9
232.96286	2.9
235.06473	1.0
235.08517	6.6
237.02776	1.8
237.09741	15.7
239.06108	1.8
239.11319	4.1
241.07387	3.2
243.10822	3.7
249.09706	4.5
255.10831	4.9
257.06335	1.2
259.08490	14.3
261.09634	4.0
261.12003	1.1
263.11633	2.7
267.11206	3.7
273.06500	1.2
273.11816	4.2
277.09534	8.6
279.10736	2.5
285.09888	3.5
285.12149	2.2
297.11902	10.3
299.07855	3.2
303.10910	2.1
309.11655	2.6
313.05807	1.1
315.12903	1.8
317.08768	2.5
327.13046	8.5
328.12415	0.8
329.08786	1.0
331.06995	4.2
342.96423	1.6
345.13412	36.9
346.14236	0.8
360.97241	0.9
363.14365	70.5
364.14932	1.6
386.15521	1.0
405.14429	100.0
406.15125	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	405.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.9
69.07069	0.9
71.52011	0.8
79.05486	0.8
81.07058	1.8
90.45928	0.6
91.05495	3.6
93.07029	1.3
94.04196	2.1
95.04988	0.9
105.07056	1.4
105.62994	0.6
107.04907	1.7
109.06517	1.0
109.10181	1.1
117.07035	1.2
117.49679	0.6
117.72953	0.6
119.08627	0.8
121.06531	6.6
121.10094	0.7
122.03664	6.9
129.87646	0.9
131.04942	1.1
136.05157	1.5
137.05994	100.0
145.06505	1.7
145.10167	1.4
146.07314	4.5
147.04420	2.1
147.08098	1.2
149.06013	7.2
151.07568	17.5
161.05951	1.2
162.06784	1.0
163.07649	0.8
165.05513	3.1
167.07109	1.7
173.05710	0.7
173.09799	0.7
174.06805	0.7
175.07564	0.7
176.08455	0.7
177.05521	3.2
177.09132	12.4
179.07074	1.8
181.04916	1.6
187.07639	1.1
188.08359	0.7
189.09122	2.4
191.10724	1.2
201.09181	1.9
203.10632	1.0
219.10185	1.3
237.11324	1.2
237.54810	0.6
245.09741	0.9
246.10480	0.8
251.12866	1.9
263.10840	1.3
273.09229	0.8
274.09976	1.4
277.12332	1.6
290.09479	1.2
291.10287	1.9
295.13339	4.7
305.11765	19.6
306.12451	1.5
323.12814	6.6
337.14340	8.1
344.37201	0.6
355.11365	1.3
355.15448	13.7
356.15613	0.8
365.33008	0.7
405.31061	0.7
405.35916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3728
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05514	7.1
57.03423	2.0
57.07082	10.8
60.24336	1.4
67.05507	3.2
69.07069	9.1
71.08642	7.7
71.52408	2.0
81.07058	5.6
83.01341	8.1
83.08611	5.7
85.10200	3.8
91.05422	1.8
93.07054	3.2
95.08601	3.6
97.06525	3.5
97.10145	4.1
107.08617	3.2
108.73259	1.5
109.06465	2.3
109.10113	3.2
111.08063	4.1
111.11774	1.8
119.08589	2.1
121.10090	1.8
123.08050	3.6
125.05992	6.1
125.09666	3.7
126.59930	1.5
127.07545	3.2
135.11765	1.7
137.09549	2.5
139.07556	21.1
139.11171	2.2
141.88785	1.5
149.13246	1.5
151.11148	3.6
153.09090	5.8
153.12820	2.1
167.10692	7.1
181.12244	7.5
195.13852	7.1
209.15323	4.5
223.16922	5.0
251.20090	1.9
405.37286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.8
55.05510	1.6
56.05042	5.9
56.92919	0.6
57.03449	5.0
58.99326	0.9
58.99589	8.1
67.05493	1.3
69.03433	1.1
69.07069	1.3
70.63319	1.5
71.04990	0.6
73.01145	0.8
74.00668	1.0
74.87141	0.7
74.97462	0.7
76.02234	16.5
76.04013	1.7
79.05505	4.1
81.07060	14.5
83.06123	1.2
84.04513	22.2
84.08140	1.7
85.01131	2.4
85.02915	1.3
86.00656	3.9
86.09696	3.7
86.99058	5.0
87.02694	5.8
88.02203	1.2
91.05477	0.9
94.06600	0.9
95.08604	3.9
97.01109	0.8
97.06510	1.9
98.09694	10.2
99.08141	3.2
102.05551	4.0
105.07016	2.5
107.08618	1.4
108.08136	0.8
110.09650	1.4
112.03961	3.5
113.04230	5.0
114.03788	1.0
115.05840	1.8
116.01689	18.0
122.09682	1.2
123.08015	1.1
127.05775	1.1
129.05743	0.6
129.06618	2.4
130.05028	7.8
130.06851	3.0
130.08672	1.3
131.08571	7.5
142.03188	2.1
142.05020	1.1
144.01157	7.5
145.05052	0.7
145.06914	0.9
145.10170	1.5
149.09616	3.1
156.08438	16.1
156.10204	10.0
157.06822	5.9
162.02216	18.0
163.11172	0.9
164.07072	2.8
167.07031	1.3
174.09471	8.9
179.04904	7.1
187.05371	1.0
191.10701	2.0
197.16519	1.0
198.11333	1.0
209.11771	13.8
210.11292	2.3
211.53831	0.7
215.04820	0.7
216.06929	4.4
225.16063	0.9
233.05826	2.2
247.10757	2.1
259.11142	100.0
274.51657	0.7
277.12119	1.7
285.12625	2.4
313.12192	4.0
331.13406	4.3
343.13235	1.5
354.52222	0.7
355.02835	0.7
388.15540	1.2
406.16278	4.7
406.19839	2.6
407.17682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.3
53.16293	1.4
53.93881	1.3
56.37876	1.5
65.87247	1.4
67.05486	6.4
69.29597	2.9
69.29997	9.3
79.05482	3.5
81.03400	1.9
81.07040	5.3
85.02875	3.8
91.05485	2.2
95.08625	2.3
97.02887	2.8
103.05489	1.7
105.01837	3.9
105.07030	1.9
107.04950	3.7
120.08096	1.8
122.03651	1.5
123.11717	6.2
127.03930	3.1
129.06950	2.6
131.04893	1.6
135.04449	2.3
137.05986	19.1
143.08566	1.7
145.02783	1.7
145.04947	2.8
145.06506	5.0
145.08899	1.4
145.86713	1.4
147.04478	1.6
151.07541	48.0
157.06482	4.0
157.10120	1.6
158.07269	3.9
159.08038	3.0
160.05191	2.2
160.08832	2.2
161.05978	5.0
172.08858	17.2
173.06006	7.6
174.06784	3.4
175.07526	4.7
176.08322	8.6
177.09106	5.8
179.06976	2.4
182.08145	4.5
188.08321	30.5
189.09108	17.7
191.10783	2.4
195.06441	2.0
195.17618	1.4
201.09129	6.7
203.07094	2.2
203.10689	33.2
204.07722	1.7
210.07596	4.4
219.10182	19.2
229.08618	2.6
247.09660	100.0
268.11795	3.8
293.11850	2.1
321.11188	2.6
335.12723	1.8
353.13748	6.3
371.14758	10.2
406.26147	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	406.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13704	0.7
56.79651	0.6
59.83450	0.7
60.35224	0.7
65.03928	1.6
69.72585	4.0
74.57726	0.6
79.05495	1.2
85.02902	2.4
85.47972	0.7
91.05476	1.2
93.03394	1.2
94.04174	0.8
97.06538	2.3
107.04917	1.3
122.03580	1.5
125.05995	8.5
137.05983	18.4
138.03140	1.9
145.06474	0.9
147.04352	0.8
147.08043	1.5
148.05226	1.5
151.03824	0.8
151.07556	13.0
153.05478	100.0
161.05975	0.9
164.14706	0.7
166.06223	1.0
167.07100	1.0
172.08867	2.6
173.06041	1.3
174.06714	1.3
175.07593	1.0
176.08311	1.2
177.05528	1.2
177.09125	4.4
181.04916	0.8
181.08638	7.3
182.09351	0.8
188.08363	3.0
189.09132	2.6
191.10696	0.8
203.10634	5.5
219.10251	2.0
231.10194	2.9
235.16380	0.7
237.11256	1.9
247.09724	3.5
249.11171	4.8
293.11655	0.8
321.11188	3.6
339.12296	2.5
347.76654	0.8
353.13907	3.1
371.14957	4.6
371.18881	0.8
389.16016	2.0
407.34647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
55.05506	7.3
57.03432	2.3
57.07093	2.2
61.02914	2.9
62.01956	1.9
64.04674	1.7
67.05505	11.0
69.03428	6.4
69.07043	4.5
69.62394	12.0
71.04991	10.5
79.05498	7.9
81.03412	1.9
81.07069	6.1
83.04972	5.3
83.08617	4.2
85.02913	22.7
85.06548	58.5
85.19840	1.7
86.09686	1.7
89.84736	1.5
91.05476	7.1
93.07011	10.4
95.04967	79.9
95.05576	4.0
95.08578	2.4
97.02886	6.0
97.06529	5.1
99.04451	17.9
105.07025	10.3
107.04959	4.6
107.08612	10.9
109.06500	6.0
109.10192	3.2
111.04458	6.9
119.08558	10.4
121.06510	5.2
121.10146	15.0
125.06032	3.8
125.09670	1.8
127.03909	3.3
129.07024	4.1
131.08560	38.3
133.10147	12.9
135.08076	2.8
135.11670	2.5
137.09650	2.7
145.04951	3.3
145.10109	17.3
147.11687	4.0
149.09628	38.2
151.11191	7.3
153.05351	2.8
153.09094	29.2
163.11157	11.5
164.07050	9.3
165.09096	5.1
167.10667	19.1
167.14343	7.7
173.09669	3.4
173.13231	9.9
191.10669	39.9
191.14328	7.7
209.11745	54.0
209.15353	66.5
220.85231	1.9
227.12779	100.0
227.16383	4.2
259.11200	3.2
276.05692	2.4
309.18021	1.7
407.18127	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	406.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
54.09627	1.0
55.01867	1.5
55.12945	1.0
67.05496	1.0
69.03418	1.7
69.07053	1.5
69.10248	1.0
70.02900	0.9
70.06587	3.2
71.04993	1.0
71.51630	1.4
72.08131	1.2
79.05500	6.9
81.03420	1.8
81.07042	1.5
84.04479	3.0
84.08154	4.9
85.02893	7.7
86.09692	2.3
91.05466	3.2
93.07040	8.3
95.04963	2.2
95.08607	1.9
97.02867	2.1
97.06502	2.1
103.05480	1.6
107.04921	1.9
119.07359	1.8
121.06503	15.5
123.08083	6.6
127.03951	2.7
130.04968	2.1
137.05960	4.2
138.65970	1.2
139.07544	12.5
145.04951	1.3
149.05974	7.9
156.08438	1.0
163.03856	2.4
164.07071	19.0
167.07040	100.0
168.07294	1.5
169.04915	3.4
170.05238	1.0
185.08080	2.1
198.11139	1.2
199.09659	84.4
209.11626	1.4
227.09096	1.2
233.05508	1.1
246.04341	1.4
259.11136	2.1
289.15457	6.7
340.94504	1.1
406.14737	3.9
406.19452	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03138	0.7
55.01867	2.1
55.05514	1.6
56.05034	4.6
57.03436	4.5
57.07076	0.7
58.99591	7.8
67.05501	1.5
68.05032	1.2
69.03419	3.1
69.07072	3.5
70.85571	2.2
71.04985	0.9
73.01138	1.1
74.00660	1.3
76.02236	16.8
76.03992	1.6
79.05498	4.1
81.07059	16.9
82.38784	0.7
83.06099	1.0
84.04509	21.5
84.08151	1.5
85.01118	2.8
85.02891	2.0
85.06558	0.9
86.00661	3.9
86.99056	5.6
87.02694	5.3
88.02184	1.0
91.05476	1.3
93.07036	2.4
94.06551	1.0
95.08583	4.4
97.06542	2.0
98.09702	10.5
99.08108	5.2
102.05524	3.4
105.07037	5.2
107.08591	3.2
110.09690	1.5
111.02679	0.8
111.08088	0.9
112.03957	1.8
113.04226	6.1
114.03760	0.7
116.01680	18.7
117.07029	1.0
119.08578	9.9
121.06545	0.7
121.10132	3.0
122.06022	1.7
122.09674	0.9
123.08105	1.3
127.03878	0.8
129.06561	2.2
129.07397	0.8
130.05005	4.9
130.06865	3.3
130.07744	1.1
130.08659	2.2
130.42511	0.8
131.08589	8.1
133.10150	5.9
139.05769	1.7
142.03168	1.7
142.05020	0.9
142.21419	0.7
143.08533	1.2
144.01157	7.9
145.04974	0.8
145.06029	1.1
145.10106	3.7
147.11697	2.6
149.09653	2.1
156.08426	18.7
156.10208	10.5
157.06841	6.9
158.10915	2.3
162.02216	18.2
164.07066	1.9
170.02769	1.1
173.13286	12.2
174.09511	11.4
175.14847	18.9
179.04846	7.2
187.05267	1.0
189.03252	1.2
191.10655	1.6
191.14317	13.7
209.11771	9.1
209.15205	0.7
210.11302	2.5
215.04855	1.0
216.06879	5.0
233.05969	1.5
245.06166	0.9
259.11133	100.0
260.09280	1.2
260.11627	1.7
277.12189	1.1
285.12704	2.8
291.45346	0.8
308.09036	1.1
313.12085	3.7
331.13306	5.6
343.13358	0.9
353.19772	0.9
388.15347	1.5
406.16501	4.3
416.19095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59963	1.6
55.05505	10.2
57.03453	2.2
59.33600	1.9
67.05487	2.6
69.03432	3.7
69.07045	3.1
70.79270	4.8
79.05489	3.0
81.07079	9.6
82.64729	1.8
83.04982	10.4
83.08629	9.5
85.02924	10.2
91.05521	2.9
93.07047	5.5
93.73707	1.9
95.04968	14.2
95.08617	5.2
97.02882	3.5
97.06535	8.5
99.04459	5.1
105.07042	4.1
107.08584	12.5
109.06538	16.0
109.10151	16.9
111.08112	3.7
113.09683	2.0
115.07566	2.0
119.08585	3.9
121.10143	9.5
123.11749	2.9
125.09672	3.1
131.08569	6.2
133.10138	21.5
135.08076	4.0
145.10118	2.6
147.11690	8.6
149.13264	6.6
151.11188	15.9
153.09108	8.4
163.14842	3.1
167.14336	20.2
173.13252	14.6
175.14886	4.1
191.14317	15.7
209.15388	100.0
227.16463	11.3
264.15195	1.8
272.00861	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34372	0.7
54.41279	0.8
55.05526	1.0
56.94245	0.8
59.04998	0.8
61.02916	1.7
62.49468	0.7
67.05499	1.7
69.03421	3.2
69.07066	3.2
71.04989	2.6
71.09361	1.6
75.70753	0.8
79.05476	1.3
79.33408	0.7
81.03405	1.9
81.07052	2.9
81.25648	0.7
83.04986	1.3
83.06170	0.8
85.02911	13.9
85.06550	1.3
91.03976	1.0
91.05507	4.1
93.07047	9.3
95.04974	2.1
95.08615	17.0
97.02895	3.5
97.06550	4.9
99.04461	1.5
99.08096	1.3
101.18592	0.8
105.07030	7.2
107.04950	0.8
107.08590	8.8
108.95850	0.7
109.02887	0.8
109.06504	1.2
109.10158	6.4
111.08114	0.9
115.07590	1.4
116.10199	0.9
119.08573	3.8
121.06492	1.2
121.10154	11.0
123.08063	1.5
123.11692	1.6
125.09660	2.4
127.03925	2.3
131.08575	7.3
133.10135	100.0
135.08064	2.1
135.11722	3.6
139.11217	1.6
143.08524	0.9
145.04942	4.2
145.10149	3.3
147.11717	5.1
149.09631	2.6
149.13257	4.8
151.11182	25.5
153.09094	1.1
158.10953	3.1
159.50459	0.7
161.13286	1.3
163.06006	0.9
163.14835	8.5
167.07050	4.8
168.07393	3.4
173.13271	34.2
174.13698	0.9
191.14313	60.9
209.15375	30.1
227.16402	1.4
250.57785	0.9
345.18558	0.8
365.19763	0.8
371.20636	2.2
406.18683	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01833	2.3
59.66795	1.9
67.05492	4.4
69.03432	4.1
69.07078	3.5
71.04996	3.2
71.52680	2.9
73.09080	2.1
78.81783	2.1
79.05486	4.3
81.03413	2.3
81.07066	18.2
83.08581	2.6
83.97910	1.9
85.02895	15.1
85.06537	6.8
91.05484	8.3
93.07039	16.1
95.04964	9.4
95.08619	11.2
97.02908	3.0
97.06525	14.2
99.08083	2.5
105.07037	33.1
107.08603	16.2
109.06509	17.4
109.10158	7.4
110.42058	2.0
111.08109	2.2
115.07558	3.2
119.08569	25.5
121.10146	28.6
123.08045	5.2
123.11725	4.7
124.03959	7.5
126.38582	2.0
127.03874	3.3
131.08575	43.7
133.10135	54.3
135.08080	4.0
135.11661	4.9
145.10094	4.5
147.11674	12.1
149.13260	3.2
151.07558	4.5
151.11201	29.8
152.07858	3.8
153.09114	6.1
158.10883	4.2
161.11993	3.8
161.13255	49.6
163.14821	9.9
173.11797	3.9
173.13271	71.1
175.14774	4.9
179.14320	41.0
191.14317	67.8
206.47816	2.4
207.13756	3.0
209.15382	100.0
227.16438	37.3
272.72141	2.3
277.16431	3.2
301.73828	2.2
371.20319	6.4
406.14548	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	407.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	0.9
67.05523	1.3
69.77493	2.2
69.77911	2.7
79.05513	2.1
81.03414	1.6
81.07056	1.6
81.70293	1.0
91.05466	3.9
94.04173	3.6
95.08594	1.3
103.05454	1.7
104.81592	0.9
105.07014	2.8
107.04952	1.0
107.08582	1.0
109.06551	1.3
117.07024	1.2
121.06532	2.3
122.03657	7.4
123.04469	1.4
128.06221	2.2
129.60172	0.9
131.04938	3.0
133.06477	7.0
136.05193	2.2
137.05988	100.0
143.08556	1.9
145.06499	2.8
145.10104	1.2
147.07997	2.7
148.05217	7.3
149.05867	1.1
151.03902	1.8
151.07597	5.1
161.05956	3.3
163.07576	2.6
165.09093	2.0
166.06264	5.2
167.06902	1.2
171.08011	2.1
175.07507	2.9
176.08339	1.8
177.05482	1.3
177.09125	3.8
181.08604	52.8
188.08267	1.1
189.09169	4.9
190.09993	1.3
193.08615	3.2
195.10208	2.0
203.10619	3.8
205.08698	1.2
207.10196	5.1
216.11458	2.5
221.11771	0.9
233.11690	1.9
247.13414	1.2
259.74939	1.0
280.22794	1.2
308.14041	1.2
339.15854	3.0
340.16702	2.4
346.85785	1.0
356.16199	8.3
371.18491	8.2
389.24496	1.0
407.28989	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	407.2068
Annotation	Argentine
Peak:m/z	Relative Intensity
53.03950	0.7
69.59547	2.2
69.59962	0.8
75.04484	0.6
79.05518	1.1
81.03455	0.5
81.07075	0.5
81.60467	0.5
83.04491	0.4
91.05499	2.8
94.04205	3.7
95.05046	0.5
103.05466	1.0
105.07020	1.9
107.04957	1.2
109.06529	0.9
115.05440	0.6
117.07029	1.2
119.04955	0.8
121.06530	1.1
122.03658	9.5
123.04438	0.9
123.08031	0.6
128.06187	0.9
129.07014	1.0
131.04939	2.4
131.08574	0.5
133.06488	4.7
135.04372	0.7
135.08086	0.6
136.05212	1.9
137.05991	100.0
138.06718	1.1
143.08575	1.1
145.06506	2.9
147.08061	2.0
148.05196	7.3
149.06046	0.8
151.03864	0.9
151.07536	4.2
153.05463	3.0
154.05826	1.9
157.06525	1.4
159.08076	0.7
160.05237	0.6
161.05989	3.6
162.06778	0.6
163.07565	4.7
165.05504	0.6
165.09106	2.3
166.06287	8.0
167.07059	1.0
171.08081	2.2
173.06015	1.0
173.09576	0.6
174.06795	1.5
175.07571	2.4
176.08313	2.9
177.09090	3.7
179.07089	0.8
180.07874	0.4
181.08612	49.2
182.08977	0.5
187.07605	1.1
188.08409	1.6
189.09145	5.8
190.09927	0.7
193.08627	1.7
195.10239	1.2
199.11986	0.6
201.09094	1.3
202.09950	0.8
203.10690	3.5
205.08496	0.5
205.88406	0.5
206.09346	0.7
207.10191	5.5
216.11491	0.9
218.09393	0.6
221.11832	1.0
232.10886	0.5
233.11771	2.0
236.73425	0.5
247.13318	2.0
257.82349	0.5
307.13376	0.6
308.14130	0.6
339.15991	2.1
340.16782	1.2
356.16208	7.4
371.18576	7.7
389.19733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.05512	8.8
57.07072	3.4
62.39544	1.4
67.05508	15.3
67.06643	1.1
69.07079	10.1
70.03466	1.1
70.06615	1.6
71.04967	1.4
71.52555	2.0
79.05489	15.2
81.07059	32.7
83.04985	5.9
83.08601	6.0
91.04963	2.2
91.05478	14.4
93.07051	30.3
95.04995	1.6
95.08614	49.1
97.10149	2.7
103.99459	1.6
105.07037	40.9
107.08601	41.0
109.06517	3.1
109.10159	27.0
111.08077	2.8
115.30068	1.4
117.07013	8.0
119.08584	52.2
119.75736	1.2
121.06521	1.8
121.10150	38.8
123.08035	3.4
123.11711	15.5
125.09626	4.3
128.06175	2.0
129.07013	6.9
131.08578	23.4
133.10135	34.8
135.11696	19.1
137.13234	3.5
142.07744	1.6
143.08578	23.8
144.09317	2.1
145.10135	43.7
147.11682	15.4
149.09666	2.6
149.13277	14.5
151.11166	7.1
155.08507	3.2
156.09332	1.8
156.15924	1.7
157.10156	14.8
158.10950	3.2
159.11702	27.3
161.13239	9.7
163.11230	1.4
163.14839	11.3
165.12804	1.6
169.10135	6.2
170.10892	1.5
171.11708	14.3
173.09615	1.6
173.13264	30.7
175.14828	15.3
177.12631	2.0
177.16360	9.1
183.11705	5.6
184.04454	2.7
184.12492	2.5
185.13312	12.4
187.14833	52.8
189.16397	13.5
191.14333	9.2
193.05037	1.9
195.11740	3.1
197.13316	8.4
199.14845	13.7
201.16397	20.2
203.14258	2.8
203.17946	7.1
205.15912	4.9
206.05617	1.6
209.13367	1.8
211.14862	4.1
213.16393	30.5
214.17033	2.3
215.14505	1.6
215.17972	28.4
217.15877	4.6
217.19539	4.6
219.17447	2.1
223.14771	3.9
225.16402	4.5
227.17944	6.1
229.15906	5.4
229.19449	4.7
231.17459	1.7
233.19019	4.8
237.16425	2.8
239.18011	4.1
241.19511	8.0
243.17476	2.0
243.21078	5.9
245.19067	2.4
251.17981	3.1
253.19415	2.4
255.21109	11.3
257.19159	2.0
265.19531	2.5
267.21011	9.0
269.22665	3.1
281.22708	4.2
283.20566	1.5
283.23981	1.9
293.22690	2.6
295.24142	1.8
311.07068	1.4
311.23599	6.7
389.31915	16.6
407.26971	7.4
407.33075	100.0
408.33258	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	407.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.3
57.07064	2.5
59.05013	0.7
67.05182	0.9
67.05508	12.2
69.03443	3.3
69.07072	9.5
71.25917	1.2
75.98567	0.7
79.05498	9.9
81.07063	31.1
83.04978	4.8
83.08636	4.4
85.06554	1.3
91.05477	13.2
92.36457	0.5
93.07049	23.9
93.07642	1.2
95.04962	1.4
95.08614	40.1
97.06508	1.3
97.10153	2.7
99.08080	1.6
101.09705	0.6
103.05465	1.2
103.58082	0.6
105.07035	37.5
107.08598	37.7
109.06541	2.9
109.10164	27.0
111.08106	3.0
117.07015	6.6
119.08585	46.9
121.06519	1.3
121.10143	29.2
123.08073	2.2
123.11711	12.9
125.09634	7.0
128.06194	1.1
129.07031	4.4
130.07780	1.4
131.08571	22.2
133.10143	27.0
135.08034	1.1
135.11700	12.7
137.09599	2.2
137.13252	2.3
139.11174	0.9
140.70596	0.6
141.06976	1.0
142.07751	1.8
143.08574	19.2
143.09712	0.9
144.09343	2.1
145.10126	39.9
146.10712	0.8
147.11694	13.7
149.09639	0.9
149.13266	14.5
151.11192	4.1
155.08549	2.4
156.09344	1.9
157.10126	11.9
158.10890	2.9
159.08026	1.0
159.11694	23.7
160.12405	0.7
161.09596	1.0
161.13274	8.6
163.11139	1.5
163.14835	11.7
165.12682	0.9
169.10112	4.1
170.10867	1.6
171.11705	10.5
172.12444	2.3
173.13269	24.2
175.11290	0.7
175.14832	14.9
177.12776	1.5
177.16386	10.0
181.10191	0.7
182.10887	0.9
183.11745	5.6
184.12477	1.4
185.13255	9.7
187.14832	69.2
188.15242	1.0
189.16389	17.3
191.14322	6.3
191.17902	2.3
193.15866	0.9
195.11716	1.9
197.13245	5.1
199.14824	15.4
201.16402	20.2
203.14389	1.8
203.17949	8.7
205.15851	4.3
205.19450	1.0
207.17448	2.1
209.13245	1.8
211.14809	3.9
213.16379	32.0
214.17049	1.2
215.14555	1.1
215.17967	23.0
217.15945	5.4
217.19485	3.8
219.17470	1.6
222.70280	0.7
223.14832	2.1
225.16325	3.9
227.17960	6.9
228.18860	0.8
229.15900	2.5
229.19579	3.8
231.17488	2.4
231.21111	1.0
233.19005	3.4
237.16385	2.7
239.17982	3.7
241.19528	8.5
243.17494	2.4
243.21065	5.1
245.19054	0.9
249.16501	1.2
251.18028	1.4
253.19490	4.1
255.21074	9.5
257.18994	1.8
259.20581	1.2
265.19568	2.1
267.21051	10.6
269.19061	0.9
269.22644	2.8
277.19342	0.7
279.21167	1.7
281.22626	4.6
283.20560	3.2
283.24200	1.8
285.22116	0.8
293.22665	2.8
295.24084	1.1
307.24185	1.0
311.23676	6.9
319.24390	1.4
321.25677	0.7
333.25772	1.9
337.25305	1.9
347.27246	1.3
349.28998	1.7
379.33527	1.6
389.32043	19.1
407.33093	100.0
408.33258	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	407.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53774	1.5
55.05510	8.0
55.49485	1.6
57.07080	3.6
67.05512	11.6
69.07074	13.1
69.22765	14.8
77.03969	1.8
78.75285	1.4
79.05503	10.3
81.07062	25.1
83.08624	5.4
91.05479	11.3
93.07059	17.1
95.04953	1.9
95.08615	39.0
96.14597	1.4
97.06542	2.0
97.10154	1.5
98.21582	3.0
99.08072	2.6
105.07038	28.0
107.08596	26.9
109.10169	17.6
117.07018	3.5
119.08594	39.3
121.06504	2.4
121.10164	22.3
123.11723	12.0
125.09621	3.8
128.06261	2.2
129.07014	2.6
131.08572	16.6
133.06502	1.8
133.10150	19.9
135.08118	2.4
135.11717	15.3
137.06061	1.6
137.09598	2.0
137.13252	6.5
141.07039	1.6
142.07785	6.7
143.08589	15.5
144.09337	2.6
145.10130	30.0
147.08054	3.3
147.11705	13.2
149.09656	2.3
149.13173	8.5
151.11267	1.8
151.14827	2.0
155.08585	5.1
156.09381	4.9
157.10132	21.8
158.10881	2.3
159.11708	34.8
161.13310	9.3
163.11194	3.5
163.14873	8.4
165.12730	2.4
169.10098	7.5
170.10902	6.4
171.11687	14.5
173.13290	26.0
175.14832	11.1
177.12820	2.0
177.14934	1.4
177.16422	6.7
181.10107	2.4
183.11716	6.8
185.13287	38.0
187.14838	35.2
189.12720	3.0
189.16397	20.1
191.14383	1.9
191.17964	14.8
195.11639	3.2
195.68565	1.7
196.12521	2.4
197.13289	6.9
199.14832	28.2
201.12750	6.1
201.16391	12.0
203.14330	11.5
203.17986	8.5
209.13281	2.6
211.14836	5.5
213.16408	13.3
215.14398	2.9
215.18001	6.4
217.15936	19.2
217.19524	2.9
219.17267	1.7
223.14825	4.2
225.16406	6.7
227.18004	6.9
229.15948	1.7
229.19533	5.2
237.16411	3.7
239.18019	4.1
241.15800	1.6
241.19527	4.9
243.21199	2.1
245.19121	2.4
251.18010	7.3
253.19568	6.6
255.21082	3.6
257.19080	2.1
263.17981	2.0
265.19595	2.7
267.21075	5.0
269.19080	6.3
269.22696	2.8
271.20673	2.1
283.20694	2.2
293.22665	2.5
295.24197	4.9
337.25195	1.9
344.71689	1.5
379.33646	2.6
389.32053	20.4
407.33145	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.8
55.74710	1.3
57.07082	2.1
67.05509	8.6
69.07078	10.2
70.64047	3.3
73.11908	1.4
79.05489	7.3
79.31784	1.3
81.07052	16.9
83.08625	5.2
91.05497	7.7
93.07050	16.7
95.04983	1.9
95.08614	32.5
97.10150	4.1
105.07033	21.4
107.08601	23.3
109.06451	1.5
109.10162	16.8
111.08088	3.2
117.07018	4.7
117.17502	1.2
119.08582	25.5
121.10139	16.3
123.11703	9.0
128.06224	2.6
129.07011	2.7
131.08578	21.2
133.10147	13.9
135.11684	14.5
137.13208	3.0
142.07809	4.1
143.08566	12.6
144.09351	1.7
145.09117	1.2
145.10124	31.1
147.08157	1.4
147.11679	10.3
149.06006	1.7
149.13315	8.7
150.06357	1.5
155.08554	8.5
156.09315	2.6
157.10129	17.4
159.11726	14.5
161.06427	1.5
161.09596	1.7
161.13243	13.6
163.14821	7.6
165.12837	1.3
169.10138	5.6
170.10902	6.3
171.11719	13.5
172.12523	1.5
173.09702	1.9
173.13258	15.6
175.14822	8.7
177.16415	5.2
181.10091	2.8
182.10915	2.3
183.11717	13.6
185.13264	26.3
187.14828	65.7
189.12744	1.7
189.16422	12.3
191.17958	6.4
195.11673	3.3
196.12553	1.9
197.13268	7.0
199.14836	15.5
201.12761	6.4
201.16417	7.9
203.14326	3.7
203.17986	2.9
207.17484	1.9
209.13319	4.3
211.14842	4.9
213.16467	7.4
213.18401	1.3
215.17844	7.2
217.15909	5.2
217.19540	2.9
219.17542	3.4
221.13428	1.7
223.14841	2.9
225.16380	6.2
227.17949	11.4
229.19519	3.9
233.19070	2.6
237.16451	3.3
239.17976	5.0
241.19545	5.9
251.18053	7.0
253.19516	12.1
253.30235	1.6
255.21231	2.1
257.18933	1.5
265.19458	4.1
267.21082	4.5
269.19067	3.9
279.21106	1.8
283.20679	2.5
293.22684	3.4
311.23727	2.3
319.24161	1.9
333.25797	3.0
337.25317	2.1
364.27780	1.6
389.31979	23.8
407.33102	100.0
408.33261	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	407.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
54.82552	0.9
55.01867	1.9
55.05307	0.9
55.05516	9.6
56.96573	2.2
57.07081	2.7
59.05004	1.1
65.03922	2.0
65.42101	0.9
67.05508	20.0
69.03439	5.2
69.07076	12.8
69.83961	1.1
69.84246	4.6
70.44621	1.0
71.04984	1.0
71.08624	0.8
71.34766	1.0
79.05501	15.2
81.03410	1.9
81.07065	40.2
83.04994	6.0
83.08629	6.0
85.02912	1.7
85.06543	1.4
91.05486	18.4
93.07051	33.6
93.07640	1.7
95.04965	3.1
95.08614	60.0
95.97115	0.9
96.56904	1.0
97.02888	2.4
97.06532	1.4
97.10184	4.3
98.97594	17.3
99.08098	1.5
103.05450	1.2
103.09152	0.9
105.07040	43.1
106.07419	1.1
107.08606	49.6
109.06521	4.1
109.10168	36.7
109.10934	0.9
111.08094	3.3
115.05478	0.9
116.98637	6.2
117.07041	6.7
119.08594	61.9
121.06522	1.4
121.10154	39.4
123.08087	3.1
123.11713	15.3
125.09648	7.7
128.06255	2.5
128.98676	1.0
129.07013	5.9
130.07777	1.7
131.08575	28.5
133.06525	1.6
133.10143	38.4
134.99699	1.6
135.08060	2.8
135.11707	15.7
137.05946	2.7
137.09641	4.0
137.13248	2.9
141.07018	1.1
142.07768	2.1
142.93497	0.9
143.08569	21.0
144.08321	0.9
144.09320	4.9
145.06473	1.6
145.10135	55.8
146.10524	1.5
147.11697	19.4
149.09572	1.3
149.13268	17.1
151.11211	3.6
154.59344	1.0
155.08585	3.9
156.09348	3.1
157.10149	15.7
158.10928	4.4
158.99655	9.4
159.08063	1.2
159.11702	32.4
161.09625	1.7
161.13269	14.0
163.11166	2.8
163.14845	17.3
165.12773	1.1
168.09329	1.1
169.10179	6.5
170.10928	2.5
171.11700	13.4
172.12498	2.8
173.09694	1.1
173.13271	30.2
173.14705	1.6
175.11226	2.2
175.14835	18.8
177.00679	6.3
177.12775	2.5
177.16386	13.2
181.10196	2.0
182.10968	1.3
183.11723	7.4
184.12465	2.1
185.13284	12.8
186.13962	1.4
187.14841	77.3
188.15276	1.0
189.12733	2.0
189.16393	21.3
191.14314	6.8
191.17961	2.7
193.15923	1.1
195.11690	2.6
197.13252	7.7
199.11104	1.3
199.14856	16.3
200.02371	1.4
201.12762	1.7
201.16386	22.7
203.14282	5.2
203.17990	13.2
205.15913	8.4
205.19498	1.0
207.11539	1.2
207.17447	3.0
209.13269	2.5
210.13972	1.0
211.14848	5.3
213.16400	29.8
214.17091	1.0
215.14499	1.9
215.17986	24.8
217.15967	6.7
217.19496	3.5
219.01807	3.3
219.17430	1.9
223.14781	2.6
225.16515	4.9
227.17987	6.8
229.15907	6.9
229.19476	4.3
231.17459	3.9
231.21178	1.1
233.19002	3.2
236.15599	1.2
237.16449	3.0
239.17960	3.8
241.19524	9.9
243.17503	2.8
243.21049	5.6
245.19072	2.7
251.18025	2.2
253.19579	3.7
255.21118	8.0
257.18991	2.9
263.17764	1.4
265.19608	2.0
267.21060	10.0
267.60919	0.9
269.19162	2.3
269.22711	3.7
277.19565	1.6
278.02554	1.0
279.21140	2.3
281.22690	2.8
283.20581	3.4
283.24176	2.0
285.18671	1.4
293.22653	3.2
297.22318	1.5
307.24255	1.4
311.23672	9.6
319.24225	2.1
333.25977	1.0
337.25272	3.6
349.29092	1.8
354.18927	1.3
354.69104	1.2
365.69650	2.1
379.33682	1.4
389.32095	17.7
407.33109	100.0
408.33389	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	407.3522
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
55.05511	3.0
56.06847	0.9
57.07084	6.7
58.33237	0.8
65.03941	4.5
67.05513	25.2
67.68680	0.7
69.07074	5.4
71.04989	3.0
71.08637	6.6
71.38117	1.6
79.05497	1.3
81.07063	4.1
83.08618	4.3
85.10188	4.3
93.07040	1.8
95.04379	1.3
95.04970	15.6
95.08616	3.5
97.06508	1.6
97.10165	3.3
99.04472	8.4
105.07024	1.3
107.04942	0.9
107.08575	2.4
109.10175	2.7
111.11699	1.8
113.06023	3.7
119.08604	1.3
121.06511	1.0
123.04432	17.9
123.11705	1.6
125.06011	8.2
129.05437	1.1
129.58136	0.8
133.10136	1.9
137.09628	1.3
139.07556	3.3
141.05473	100.0
142.05811	1.0
145.10162	0.9
147.11749	1.7
149.13405	1.0
149.34903	0.9
151.11238	0.8
175.11237	0.8
180.64101	0.9
215.01189	0.7
222.10051	0.8
251.11250	0.8
277.21719	1.0
308.06027	0.8
344.92593	0.8
347.33035	2.6
361.34647	1.2
365.34488	1.9
371.33047	1.7
389.34195	9.6
407.35226	63.5
408.35553	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	407.3523
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
55.01872	1.3
55.05518	8.6
57.07085	15.3
65.03946	1.4
67.05514	12.4
69.03085	1.2
69.03438	12.5
69.07077	17.1
70.82160	1.9
71.04997	1.0
71.08629	9.2
78.53286	0.8
79.05490	5.8
81.07063	27.6
83.08634	10.7
85.10191	7.4
87.97338	1.1
89.06045	1.9
91.05474	5.0
93.07059	9.2
95.04977	3.2
95.08615	21.2
97.06531	1.8
97.10178	7.0
105.07040	8.8
107.08601	11.5
109.06524	4.6
109.10182	12.6
110.52071	0.8
111.04435	1.3
111.11736	2.4
113.05975	1.3
119.08608	8.4
121.10157	7.9
123.04453	18.6
123.08062	4.7
123.11693	8.1
125.06028	9.7
125.13245	0.9
131.08560	2.6
133.08633	1.3
133.10153	7.2
135.08170	1.3
135.11711	6.3
137.06017	7.9
137.09647	4.2
137.13257	3.4
139.07565	3.9
141.05492	5.3
143.06972	1.1
143.08551	1.4
145.10141	3.5
147.11691	7.3
149.13298	4.4
151.06445	0.9
151.07500	4.2
151.11192	5.9
151.14856	1.5
153.09111	1.9
155.07069	1.1
159.11734	3.6
161.09659	1.4
161.13229	4.8
163.11153	1.5
163.14868	2.3
165.09096	5.8
165.12785	2.7
167.10690	2.7
171.11594	1.2
173.13322	2.1
175.11281	1.8
175.14790	4.6
177.16364	1.7
177.55815	0.9
179.10715	3.4
179.14366	1.9
181.12260	4.2
185.13277	1.4
187.14801	1.6
189.12723	1.1
189.16428	3.1
191.17993	1.7
193.12318	4.1
197.11794	1.3
199.14874	1.0
201.16376	1.8
203.17975	1.7
207.13875	1.9
215.17946	1.8
217.19466	0.9
227.17885	0.9
229.19589	1.3
231.21053	1.0
249.18385	1.5
251.20126	1.3
263.20068	2.1
277.21750	0.9
307.26093	1.1
319.26532	1.2
331.09747	1.0
343.33591	2.5
361.34595	4.7
371.33167	2.8
389.34180	37.2
407.35309	100.0
408.35898	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05280	4.2
55.05521	49.4
57.06829	6.3
57.07082	74.7
62.25083	4.1
65.13957	3.3
67.05515	25.8
69.07076	97.5
69.74664	20.6
70.22631	3.6
71.04989	3.9
71.08644	50.2
75.93854	3.1
78.31839	3.6
79.05495	22.2
80.01447	3.0
81.07068	63.3
83.08633	62.1
85.10180	26.2
89.06048	6.4
91.05499	7.4
91.13676	3.8
93.07057	27.2
95.04978	4.1
95.08617	73.1
97.06528	11.8
97.10179	38.3
98.05787	3.9
98.21526	3.9
99.04488	17.4
105.07037	21.0
107.08590	36.4
109.06516	27.7
109.10167	39.8
111.04457	36.3
111.08085	8.0
111.11749	19.9
119.08600	23.6
121.06540	7.9
121.10144	37.1
123.04458	7.1
123.08067	19.6
123.11740	22.8
125.06012	50.6
125.13253	5.3
133.10155	19.5
135.08075	4.8
135.11745	17.2
137.05997	100.0
137.09605	15.6
137.13289	14.5
139.07567	15.4
141.05473	11.8
145.10126	6.7
147.08086	6.5
147.11688	16.2
149.09584	7.8
149.13249	19.2
151.07552	29.8
151.11192	11.0
151.14742	7.9
153.09126	10.2
153.12785	4.2
157.10094	4.0
159.11658	6.3
161.09644	11.1
161.13289	11.7
163.11238	5.4
163.14815	8.4
165.09122	26.7
165.12827	8.4
165.16393	6.4
167.10725	12.5
173.13223	4.7
175.11264	7.2
175.14926	7.8
177.12811	5.1
177.16446	7.1
179.10689	31.8
179.14256	5.6
181.12283	18.2
187.14873	4.9
189.12852	4.9
189.16418	6.3
191.14223	5.1
191.18028	5.3
193.12245	39.3
193.15927	6.1
195.13853	11.0
197.11774	12.6
203.17972	8.0
205.19618	5.4
207.13792	23.0
207.17451	5.3
209.15431	8.2
211.13303	12.1
217.19553	5.9
221.15387	28.6
223.16934	9.9
225.14867	11.3
231.17433	5.1
235.17010	28.7
237.18439	8.5
239.16469	14.7
249.18518	41.6
251.20079	9.5
253.17969	12.9
263.20081	38.3
265.21567	5.1
267.19492	17.6
269.22778	4.9
277.21530	18.9
279.23306	3.8
281.21140	13.3
289.29080	4.5
291.23245	23.2
295.22717	11.0
305.24792	15.8
309.24323	8.9
317.28427	4.6
319.26349	27.2
323.25662	4.9
333.27960	21.5
343.33743	6.7
347.33008	7.4
351.28867	5.3
361.34637	9.2
389.34198	82.1
407.35483	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3675
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
52.82376	2.6
55.05521	13.9
55.05722	2.7
55.93624	2.3
57.07063	8.2
67.05511	21.8
69.07069	29.1
71.08612	8.2
79.05507	12.4
81.07062	56.4
82.04612	2.7
83.08607	12.3
85.05855	2.4
89.06011	7.2
91.05487	8.9
91.17837	2.4
93.07060	23.5
95.08611	92.1
97.10147	8.0
98.21536	5.2
105.07030	28.0
107.08603	41.7
108.33550	2.5
109.10163	47.5
111.11729	4.4
113.00015	6.9
119.08581	32.2
121.09356	3.6
121.10158	39.7
123.11710	29.9
131.08557	11.7
133.08606	3.7
133.10130	30.2
135.11684	27.5
137.13274	25.1
139.93182	2.6
143.08551	6.2
145.10127	14.9
147.11720	20.5
149.02344	31.3
149.13286	22.4
150.02692	3.3
151.14816	4.8
157.10115	11.0
159.11710	17.6
161.13252	21.2
163.14842	17.6
167.03473	3.8
169.02591	4.3
169.10056	3.1
171.11658	7.7
173.13237	11.6
175.14804	10.2
177.16408	16.8
183.11728	4.3
185.13242	7.9
187.14838	14.5
189.16412	18.4
191.17937	13.5
198.13641	2.5
199.14801	5.5
201.16414	19.6
203.17979	22.9
205.19585	4.1
213.16400	6.5
215.17950	16.0
217.19482	14.6
227.17944	11.6
229.19566	14.7
231.21045	4.6
239.17828	3.0
241.19501	3.7
243.21051	6.8
253.19119	2.8
255.21155	12.8
257.22659	11.0
269.22696	12.9
271.24124	3.8
283.24231	7.7
309.25806	3.2
323.27274	3.6
365.31915	11.7
389.32172	4.3
407.37057	100.0
408.37268	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	407.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	15.5
57.07070	9.7
66.60349	1.8
66.91873	1.7
67.05504	24.4
69.07069	44.8
69.14775	19.5
71.08607	3.9
72.78872	1.9
79.05499	16.3
81.07059	91.5
83.08621	17.6
87.25198	1.9
89.06039	2.0
91.05477	15.7
93.07058	27.2
95.08608	57.2
97.10168	5.4
105.07047	28.9
107.08604	38.3
109.10163	45.0
111.11727	4.8
116.46745	1.8
117.07005	3.8
119.08585	30.1
121.10155	38.6
123.11711	23.4
131.08562	12.8
131.09409	2.3
133.10132	23.7
134.13657	1.8
135.11703	20.1
137.13260	10.8
143.08591	7.9
144.09332	2.5
145.10133	19.4
145.41934	2.1
147.11699	24.3
149.13249	15.7
151.14792	3.3
154.83266	1.8
156.09258	3.0
157.10146	11.6
159.11688	23.0
161.13289	17.6
163.14856	9.0
165.16350	2.6
169.10143	3.1
170.10912	2.6
171.11673	10.4
173.13260	17.3
175.14841	11.4
177.16374	8.7
183.11722	3.0
185.13248	11.0
187.14815	14.4
189.16364	9.6
191.18044	4.8
197.13332	3.0
199.14906	6.8
201.16345	10.7
203.17972	10.3
211.14888	4.4
213.16400	9.4
215.17963	12.2
217.19545	4.7
219.21184	2.7
225.16342	2.2
227.17961	10.1
229.19449	10.6
241.19524	5.8
243.21173	2.8
245.22667	3.0
253.19554	3.4
255.21082	7.4
257.22726	5.2
269.22720	8.2
271.24332	2.4
283.24167	4.7
285.25784	2.9
297.26083	4.8
299.27325	2.7
313.61740	2.6
323.27579	2.6
325.29007	6.8
337.28876	2.9
351.30435	5.2
407.36783	100.0
408.37085	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	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
50.45224	1.1
53.03942	1.8
55.05515	17.8
57.07078	8.9
66.19457	1.5
67.05505	25.0
69.07072	46.5
70.06593	2.1
71.08633	3.7
79.05500	15.6
81.07059	82.8
83.08622	19.8
85.10193	1.6
89.06042	1.9
91.05488	9.9
93.07046	28.9
95.08611	65.2
97.10162	8.6
98.21526	3.6
105.07043	23.7
107.08601	37.0
109.10164	50.3
111.11716	4.1
117.07017	5.3
119.08588	28.0
121.10150	29.8
123.07945	1.2
123.11710	25.8
125.13286	2.1
131.08591	12.8
133.10138	22.0
135.11699	21.9
136.52397	1.3
137.13255	12.0
141.07040	1.4
141.10229	5.0
142.07785	2.5
143.08563	7.5
144.09366	2.0
145.10141	21.7
147.11690	22.0
149.13274	16.3
151.14857	3.7
156.09358	2.2
157.10147	12.3
158.10944	2.9
159.11693	27.1
161.13266	19.7
163.14839	10.0
169.10162	3.2
170.10938	2.6
171.11703	13.9
173.13283	20.3
175.14818	12.9
177.16405	9.8
183.11731	2.9
185.13251	13.7
187.14796	16.1
189.16451	11.8
191.18005	3.5
197.13289	3.0
199.14816	9.2
201.16389	14.9
203.17993	7.8
211.14807	3.0
213.16382	10.7
215.17949	12.3
217.19576	5.1
225.16431	3.3
227.17934	10.9
228.18787	2.3
229.19492	14.2
231.21068	2.3
239.18074	2.1
241.19600	5.1
243.21202	4.4
245.22723	1.4
253.19716	2.2
255.21103	8.1
257.22714	5.9
259.24405	1.4
267.21161	1.8
269.22626	10.3
271.24207	3.0
281.22720	2.2
283.24060	6.6
285.25845	2.2
295.24350	2.5
297.25809	5.8
299.27524	2.2
311.27356	2.8
323.27502	3.9
325.28937	6.5
337.28787	2.9
351.30569	5.4
363.16077	1.6
365.32056	3.8
377.17719	3.3
392.20023	1.9
407.17557	2.1
407.22354	20.2
407.36768	100.0
408.37082	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	407.3675
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05519	6.8
57.07064	4.2
57.25914	1.3
65.03925	1.4
67.05508	10.8
69.07073	16.0
71.08620	1.3
79.05509	5.2
81.07063	31.0
82.88720	1.1
83.08631	6.3
91.05489	5.3
93.07050	16.4
95.08613	49.3
97.10173	3.6
98.20769	4.1
105.07043	15.8
107.08602	20.2
109.10158	28.0
111.11750	1.9
117.06985	1.8
119.07802	2.0
119.08588	19.7
121.10147	19.2
123.11711	16.2
129.07071	1.4
131.08575	8.2
133.10120	13.8
135.11702	14.0
137.13261	11.7
143.08601	5.9
145.10146	16.6
147.11702	13.5
149.13264	11.5
151.14851	1.8
157.10109	5.3
159.11685	14.0
161.13269	8.8
163.14819	6.9
169.10123	1.9
171.11655	5.2
173.13248	8.3
175.14844	5.8
177.16428	4.9
183.11687	1.9
185.13266	6.3
187.14816	9.5
189.16386	8.1
191.17960	11.7
197.13286	2.5
199.14793	6.2
201.16376	10.7
203.17960	14.3
205.19551	4.6
211.14877	3.8
213.16408	6.6
215.17976	10.6
217.19562	7.4
222.74260	1.1
225.16351	1.9
226.17334	2.0
227.17941	7.6
229.19569	8.6
229.37187	1.4
231.21115	1.5
239.17996	3.0
241.19398	5.6
243.21118	2.9
245.22725	2.4
253.19600	1.6
255.21114	10.0
257.22665	26.5
267.21069	1.8
269.22659	10.3
271.24310	2.3
281.22757	1.8
283.24222	2.1
291.49634	1.3
295.24295	3.4
297.25864	5.1
311.27545	1.5
323.27502	3.2
337.28851	2.3
351.30524	1.3
365.32117	1.7
389.31912	1.4
407.11414	1.3
407.36838	100.0
408.36942	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15375	0.5
56.96570	6.0
57.46233	0.5
60.72110	0.6
61.12916	0.6
63.66114	0.6
66.87550	0.7
71.50650	0.6
71.51025	0.9
71.95245	1.9
85.26110	0.7
97.02886	2.4
98.97587	34.8
99.97939	0.7
101.00871	2.5
106.96645	0.6
110.33801	0.6
116.98628	21.2
119.01899	5.9
121.74137	0.6
127.99438	0.7
134.99672	7.4
150.42352	0.6
153.92046	0.7
154.03894	0.6
158.99896	2.0
168.98517	0.6
172.94354	1.8
177.00966	14.0
178.01122	0.9
182.99950	1.4
184.14253	0.6
190.95485	1.3
201.00951	2.9
210.88969	0.8
214.95363	1.8
217.04068	3.3
219.02025	22.2
220.02116	1.3
225.01056	2.9
228.90109	0.8
232.96483	2.5
236.00107	1.2
240.98750	0.8
242.03645	0.8
243.01994	11.9
244.02028	0.8
246.90852	0.6
250.97510	0.8
252.90028	0.9
256.96411	5.1
258.99780	8.1
260.00156	1.1
261.03079	100.0
262.00662	0.9
262.03265	5.9
262.99512	1.0
263.02948	4.4
270.91013	3.1
274.97504	29.4
275.97845	3.4
276.97784	1.2
277.00745	5.8
278.01031	1.5
279.00687	1.0
282.96686	1.0
283.00037	2.2
284.00137	1.8
284.04636	2.5
284.99948	1.5
286.99640	2.2
288.92154	5.2
292.98578	12.4
293.99023	1.2
297.99423	0.8
300.97534	0.8
301.01059	2.1
302.01285	2.5
303.00787	1.9
305.00803	3.7
306.93094	1.5
316.98645	0.9
367.02182	2.7
372.96207	2.0
373.46146	2.7
384.96188	1.6
384.97513	1.0
385.03186	22.5
386.03262	0.9
394.90955	0.8
395.98358	1.3
398.97781	1.1
402.97556	3.3
403.04172	19.7
404.04712	0.8
408.04764	0.8
410.88837	1.6
412.92236	2.8
414.95395	1.8
416.98648	0.9
428.89807	1.8
430.93161	0.8
432.96240	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	408.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01861	1.9
56.96554	3.1
57.03437	2.3
57.65315	0.8
61.02936	5.1
67.05507	6.0
67.40220	1.0
69.03435	6.6
69.65507	3.0
69.65926	2.3
71.04987	1.5
73.02906	3.7
79.05505	4.9
81.03416	3.6
81.07072	4.9
84.08142	0.9
85.02908	21.9
87.04472	1.2
89.03908	1.4
91.03951	1.8
91.05482	16.3
93.03387	0.9
93.07053	6.3
95.04994	6.3
97.02897	8.5
98.20814	1.0
98.97583	9.3
99.04470	1.6
103.05470	1.7
107.04946	1.6
107.08591	1.0
109.02880	3.9
109.06539	4.6
110.97573	2.2
119.01897	2.0
119.04951	36.4
121.06519	14.9
123.04423	3.5
124.99133	1.1
127.03954	5.6
128.02309	2.0
135.04430	2.8
137.05988	15.8
141.05452	1.8
143.00134	1.9
145.02850	1.2
145.04962	6.1
147.04416	36.4
149.05995	11.8
152.23315	1.0
158.99651	3.6
163.03918	8.5
164.07027	2.4
165.05490	34.3
167.07115	6.7
173.02869	1.0
175.03932	6.8
177.00731	1.2
178.47617	0.9
183.06537	19.4
188.32883	0.9
189.00684	1.5
191.03905	0.9
193.04974	20.6
194.99670	1.0
200.04327	1.8
201.00723	1.2
204.06534	1.3
207.05179	1.5
211.06021	69.4
213.03349	1.5
219.01741	2.2
222.03911	1.8
229.07085	100.0
230.07463	1.1
236.58221	1.1
237.02885	1.8
241.03728	1.1
255.03798	1.2
263.10281	1.7
296.06845	1.4
309.05475	1.0
318.05997	1.3
355.10178	2.6
408.17743	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	408.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
57.03425	2.1
61.02923	2.7
67.05493	2.2
69.03434	7.2
69.76863	7.2
70.06598	2.7
72.08120	1.4
79.05484	2.7
81.03414	2.5
81.07059	2.1
83.04988	6.4
84.08150	1.5
85.02905	17.4
87.04461	1.3
91.05474	5.5
93.07068	1.3
95.08559	1.3
97.02889	5.1
105.07037	4.0
107.04940	2.5
107.08598	2.7
109.02863	2.1
109.06490	7.2
111.04459	3.8
119.04947	9.6
119.08566	2.9
121.06500	4.4
122.03655	1.5
125.06004	1.4
127.03922	3.2
129.05440	3.0
135.08055	2.3
137.05988	97.5
145.04953	2.3
147.04427	13.5
149.05978	3.7
150.09148	13.7
151.07518	4.2
151.12393	1.2
153.05452	2.0
155.06976	2.1
161.06012	1.5
163.03882	2.3
163.07507	1.3
163.15758	1.2
163.32079	1.3
164.07043	3.6
165.05449	6.7
165.07465	2.6
165.09128	2.2
167.07066	4.8
179.07033	7.7
183.06459	3.1
193.04907	3.9
193.08556	3.0
195.10172	4.0
210.11281	1.3
211.06325	12.9
211.09657	100.0
215.05443	2.5
229.07097	18.3
229.10626	6.8
298.95508	1.2
408.14410	5.2
408.19040	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	408.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.7
57.07075	2.9
67.05503	6.2
69.03431	3.0
69.07071	9.5
69.58686	12.9
71.05001	7.6
79.05487	4.6
81.07063	11.5
83.08620	9.0
85.02895	10.0
85.06539	3.2
91.05482	4.3
93.07032	13.0
95.04990	2.4
95.08607	23.3
97.06532	13.6
99.04450	5.3
103.31220	2.0
105.07032	6.7
107.08598	14.9
109.02874	2.3
109.06541	6.8
109.10165	23.6
111.11752	2.5
115.07558	9.6
119.08594	16.8
120.04874	2.0
121.10147	8.1
123.08102	5.8
123.11705	11.6
127.03903	4.5
127.11230	2.2
133.10133	41.8
135.11696	31.8
137.09630	6.4
141.09154	2.0
141.12744	3.0
145.04988	2.6
147.11681	4.2
149.13297	15.2
153.12747	5.5
175.14832	63.2
177.16396	6.1
180.14560	2.1
193.15891	68.1
194.66757	2.0
211.16934	100.0
299.60809	1.8
365.67743	2.3
409.18060	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	0.4
70.66615	0.8
70.66943	0.5
72.08143	0.9
85.02882	0.6
85.06545	0.4
89.81837	0.4
91.05476	0.4
93.07027	0.6
94.48037	0.4
98.97603	0.6
109.06500	0.7
120.08099	3.1
124.07571	0.5
129.10286	0.7
129.47388	0.5
130.04953	0.4
136.21228	0.4
147.04372	0.4
147.57422	0.4
164.07086	2.6
165.05600	0.4
198.18016	0.4
211.13293	0.5
212.13661	0.4
237.46516	0.4
253.11829	0.8
289.07935	0.4
305.67697	0.4
313.08298	1.1
331.09143	0.9
333.10916	0.5
349.10309	1.1
409.18338	100.0
410.18683	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32143	2.0
53.03937	5.4
55.05509	15.7
57.07079	5.8
59.05002	1.9
67.05510	32.8
69.03421	6.5
69.07072	15.1
70.59441	2.7
70.59784	5.2
79.05503	18.7
80.24360	1.9
81.07059	46.7
83.04980	4.6
83.08627	9.7
85.06547	3.0
85.08961	2.1
91.05492	31.0
93.07055	51.2
95.04977	31.1
95.08617	61.8
97.06532	6.7
97.10163	5.1
103.05413	2.4
105.07037	65.9
107.08605	57.3
109.06529	9.2
109.10163	35.4
111.08066	3.8
115.05463	2.7
117.07001	11.7
119.08593	52.3
121.06539	12.6
121.10149	36.1
123.08060	10.0
123.11699	18.6
128.06245	4.5
129.07018	6.3
130.07793	2.6
131.08574	22.9
133.06557	3.2
133.10138	28.0
135.08073	6.3
135.11732	20.8
137.09642	6.1
137.13274	5.9
139.11150	2.2
141.06929	3.0
142.07776	7.0
143.08549	19.7
144.09341	6.9
145.10129	36.0
147.08047	12.1
147.11691	34.0
149.09618	4.9
149.13261	25.1
151.07530	13.8
155.08556	5.4
156.09409	4.5
157.10135	25.0
159.08070	3.5
159.11729	21.3
161.09599	3.8
161.13274	10.7
163.11189	3.6
163.14842	26.4
165.09116	19.4
169.10088	6.3
171.11655	17.7
173.09642	4.7
173.13312	12.9
175.11255	13.3
175.14815	18.7
177.16339	13.4
179.08508	3.0
181.10135	3.6
183.11685	7.4
185.13310	6.6
187.11244	2.7
187.14888	14.5
189.12798	4.2
189.16351	14.6
191.17984	9.1
193.15968	3.0
195.11639	3.9
196.12375	2.6
197.13286	5.0
199.14862	6.7
201.12805	5.2
201.16489	11.5
203.14374	8.7
203.17877	16.1
205.15919	6.8
207.13754	5.4
209.13428	3.7
211.14813	8.2
213.16412	19.4
213.57722	2.4
215.17947	17.6
219.13878	2.4
219.17459	3.9
221.15364	46.6
227.17973	7.3
229.19547	3.1
231.17525	4.7
234.16154	10.0
235.21844	2.4
239.17949	3.8
241.19392	13.2
243.21101	8.1
253.19495	2.8
255.21005	11.3
257.22595	3.1
267.20999	4.4
269.22659	3.3
285.22195	2.4
286.19116	3.2
287.19879	4.1
295.24173	3.7
300.20862	4.7
313.25092	4.6
329.21085	3.0
391.26462	2.8
391.33606	25.8
394.10266	3.4
409.13101	33.2
409.27359	25.0
409.34631	100.0
410.13638	6.7
427.14227	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01870	1.6
55.05513	18.8
57.03449	1.3
57.07073	5.8
58.22713	1.6
59.04999	2.3
64.56953	1.0
65.03952	2.9
66.24683	1.0
67.05505	22.0
69.03422	6.8
69.07072	11.7
69.14615	4.4
69.15053	7.0
71.05000	1.8
71.08621	1.8
79.05076	2.2
79.05499	24.3
81.03414	3.0
81.07060	41.3
83.04973	4.7
83.08603	3.9
85.06541	4.4
91.05482	38.3
93.07046	51.7
95.04969	48.4
95.08607	45.0
97.06516	7.0
97.10155	1.4
103.05489	5.0
105.04543	2.2
105.07035	100.0
106.07879	1.6
107.08601	41.3
109.06518	10.2
109.10172	16.3
111.08109	4.4
115.05439	2.2
116.06245	1.6
117.07032	14.9
117.99269	1.2
119.04963	1.7
119.08582	74.6
121.06506	16.3
121.10143	25.5
122.07253	1.4
123.08071	13.0
123.11707	4.8
125.06031	2.1
128.06261	3.2
129.07028	9.5
130.07771	4.7
131.08574	25.4
132.09338	2.4
133.06537	5.9
133.07507	1.1
133.10147	22.8
135.08049	12.4
135.11694	13.5
137.05983	2.2
137.09636	7.3
137.13307	1.8
141.07005	3.3
142.07803	12.0
143.08565	15.9
144.09343	5.1
145.06499	2.4
145.10121	39.9
146.07254	1.5
146.10806	1.4
147.08063	13.0
147.10526	2.4
147.11690	42.0
148.08885	1.3
149.09624	9.2
149.13258	9.2
151.07523	12.9
153.07034	1.5
153.09074	2.0
155.08598	6.4
156.09364	8.1
157.10139	21.5
158.10796	1.3
159.08052	5.5
159.11693	24.2
160.08865	2.6
161.09648	8.1
161.13278	8.8
163.11197	5.2
163.12457	1.2
163.14839	7.2
165.07014	1.7
165.09116	28.3
167.08592	3.3
167.10687	1.7
168.09373	5.1
169.10115	9.2
170.10905	4.6
171.11684	10.6
172.12343	1.2
173.09647	4.8
173.13271	12.3
175.11198	32.0
175.14816	6.8
177.09145	4.2
177.16380	5.8
178.09918	3.1
179.08554	2.0
179.14297	2.4
181.10199	5.2
181.12202	1.7
182.10983	1.4
183.11696	10.4
185.09656	2.0
185.13281	6.7
187.11162	3.9
187.14815	9.5
189.12741	6.7
189.16400	5.2
191.14287	3.0
191.17899	1.8
193.10184	1.9
194.10974	2.0
195.11705	3.6
196.12488	2.1
197.13315	4.3
199.11203	2.8
199.14819	6.0
201.12706	7.5
201.16492	5.8
203.14288	12.9
203.17964	4.1
205.15894	2.3
207.11916	2.1
207.13849	6.4
208.12509	1.4
209.13258	4.4
209.15440	3.3
211.14835	4.8
213.12720	3.1
213.16394	4.6
215.14346	1.4
215.17940	5.1
217.19507	2.3
219.11871	1.7
219.13870	4.5
221.13379	3.3
221.15367	65.8
223.14815	2.0
225.12891	1.6
225.16321	2.8
227.14311	1.9
227.18030	2.7
229.15868	4.7
229.19600	3.0
231.13795	2.9
231.17464	1.8
233.13268	1.4
233.15392	3.3
234.16129	17.0
235.14943	2.6
239.14322	1.2
239.18025	1.8
241.19662	2.9
243.21146	2.4
249.16464	1.4
253.15866	2.3
253.19528	2.2
255.21121	5.1
257.22607	2.0
269.19083	2.2
269.22635	4.8
286.19293	3.0
287.20096	6.1
289.17249	1.2
293.19226	1.2
295.24182	2.4
299.20129	1.5
300.20813	5.1
313.25348	1.9
325.21616	1.5
329.21164	5.2
349.29532	1.4
391.26355	5.0
391.33728	8.8
392.31531	1.9
409.27356	41.0
409.34607	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	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.3
55.01882	2.5
55.05513	19.2
57.07087	9.2
59.05002	3.9
65.03941	4.6
67.05182	2.1
67.05510	28.5
69.03437	8.0
69.07072	13.2
70.46423	4.3
71.04994	3.1
79.05075	2.1
79.05500	28.7
81.06594	2.8
81.07060	47.8
83.04961	5.9
83.08617	5.2
85.06525	2.2
86.28802	1.5
91.05484	39.1
93.07048	52.3
93.07636	2.6
95.04968	41.0
95.08611	56.1
97.06548	13.5
97.10190	2.8
103.05474	4.8
105.04503	2.4
105.07035	100.0
107.04987	2.9
107.07887	3.0
107.08597	43.6
109.06528	13.0
109.10158	27.0
111.08080	3.9
115.05483	3.9
117.07027	17.8
119.04918	2.4
119.08588	71.3
120.09363	2.2
121.06510	12.8
121.10152	28.9
123.08054	17.6
123.11716	7.8
125.06009	1.9
125.09636	2.7
128.06238	7.9
129.06995	11.1
130.07848	3.7
131.08580	33.8
132.09367	2.0
133.06496	4.6
133.10143	31.7
135.08057	14.4
135.11707	13.2
137.05939	1.7
137.09680	8.2
137.13266	4.5
139.11195	4.2
141.07010	3.5
142.07767	12.4
143.08572	22.3
144.09349	6.8
145.06494	3.8
145.10124	49.9
147.08066	15.4
147.11688	42.1
149.09631	9.5
149.13266	9.1
151.07547	22.8
153.07040	2.8
153.09093	2.3
153.12773	1.9
154.07806	2.5
155.08559	11.2
156.09361	7.4
157.10127	28.6
158.10913	3.9
159.08090	6.1
159.11723	25.2
161.09592	6.9
161.13277	10.8
163.11179	5.8
163.14859	10.6
165.06972	2.5
165.09108	29.2
165.12759	1.7
167.08598	3.3
167.45818	1.6
168.09348	4.9
169.10107	14.2
170.10924	3.3
171.08080	1.8
171.11682	18.5
172.12309	2.1
173.09647	7.4
173.13336	12.5
175.11200	23.1
175.14818	7.3
177.09120	3.4
177.12773	2.7
177.16374	7.3
179.08536	3.2
181.10103	5.4
181.12273	3.8
181.15916	5.2
182.10927	4.1
183.11725	13.5
184.12442	2.0
185.09613	3.0
185.13217	11.9
187.11214	3.1
187.14825	16.5
189.12750	7.0
189.16309	8.0
191.14316	2.1
191.17906	4.3
193.10098	3.5
194.10959	2.6
195.11719	6.0
196.12479	2.9
197.13255	6.6
199.11209	3.9
199.14911	2.3
201.12772	9.2
201.16368	16.6
203.14304	12.3
203.17981	6.3
205.15826	2.8
207.11868	2.3
207.13771	9.0
209.13237	4.8
209.15379	6.2
211.14832	9.5
213.16394	7.1
215.14447	3.4
215.17990	6.7
216.14975	2.1
219.13840	2.4
219.58046	2.0
221.13342	2.9
221.15363	68.2
223.14870	4.0
225.16379	4.6
227.17909	6.7
229.15927	8.4
229.19489	4.8
233.15355	3.6
234.16135	10.1
235.14635	2.3
239.18092	2.3
241.19556	3.3
247.16957	2.0
251.14287	1.8
253.19534	2.9
255.21158	3.9
257.22699	2.1
267.21085	2.8
271.17188	2.2
281.19077	1.8
281.22525	2.4
286.19315	4.2
287.20087	7.8
291.17389	2.3
299.20081	2.7
300.20920	2.7
329.21106	5.5
335.20010	3.2
351.30322	2.2
391.26331	7.8
391.33517	10.0
409.27307	61.4
409.34601	64.4
421.43713	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
53.99298	1.3
55.01875	2.7
55.05517	20.6
57.07071	6.4
59.05003	3.6
62.98357	1.4
67.05511	24.8
69.03429	4.4
69.07069	12.2
71.52452	1.7
71.52821	1.6
77.03942	1.9
79.05498	26.0
81.03394	2.0
81.07062	44.8
83.04978	6.9
83.08623	5.1
85.06568	2.1
91.05493	35.5
92.25455	1.5
93.06486	3.0
93.07052	52.3
95.04980	44.5
95.08615	50.2
97.06547	6.3
97.10155	2.6
103.05449	3.2
105.07040	100.0
106.07276	1.5
107.07883	2.7
107.08604	46.7
109.06524	12.0
109.10171	22.4
111.08088	3.6
115.05485	4.1
117.07011	16.5
119.04949	2.6
119.08590	75.1
120.09374	1.5
121.06518	19.0
121.10155	29.2
123.08076	12.9
123.11716	8.5
125.09603	1.7
126.50671	1.5
128.06238	5.9
129.07013	9.1
130.07793	3.4
131.08580	23.4
133.06485	4.5
133.10147	26.6
135.08046	12.1
135.11690	19.5
137.05974	1.6
137.09651	7.2
139.11214	1.6
141.06992	5.1
142.07788	13.7
143.08586	16.0
144.09334	3.8
145.06522	2.7
145.10132	43.7
147.08049	15.4
147.11697	50.2
149.09637	12.9
149.13283	11.0
151.07556	14.8
151.11172	1.7
153.07037	2.3
154.07628	1.9
155.08577	8.0
156.09396	3.9
157.10153	19.0
158.10876	1.7
159.08017	8.2
159.11720	19.0
161.09608	6.9
161.13287	11.7
163.11215	3.1
163.14859	8.7
165.07005	2.0
165.09132	27.3
167.08569	2.9
168.09375	3.2
169.10172	11.4
170.10916	2.8
171.11694	13.6
173.09648	6.4
173.13303	12.6
175.11192	30.1
175.14865	6.6
177.09132	4.2
177.16415	6.6
178.09962	3.3
179.08528	1.9
180.09428	1.8
181.10124	4.8
182.11058	2.0
183.11671	11.6
185.09674	2.0
185.13249	8.6
187.11238	3.9
187.14804	12.7
189.12798	5.4
189.16455	8.4
191.14319	4.3
191.17961	3.0
193.10199	1.8
195.11761	4.6
197.13292	4.9
199.11226	2.6
199.14848	6.3
201.12767	6.8
201.16383	7.4
203.14386	11.9
203.18022	4.9
205.15932	3.3
207.11874	2.3
207.13818	5.4
209.13248	3.8
209.15350	3.5
211.14911	7.9
213.12695	4.3
213.16426	6.8
215.14304	2.8
215.17923	5.1
216.15169	1.8
217.19510	2.5
219.13765	3.0
219.17465	3.4
220.12575	2.8
221.13406	3.0
221.15370	62.5
223.14822	2.3
225.12488	1.5
225.16385	2.3
227.17986	3.6
229.15933	5.3
229.19482	3.3
231.13916	2.8
231.17564	1.8
233.15427	2.7
234.16153	18.4
235.14632	2.0
239.17949	3.0
241.19530	4.7
243.21033	2.5
245.19055	1.8
247.24361	1.5
249.16449	1.9
253.16023	1.9
253.19318	1.6
255.21114	4.8
257.22641	4.2
267.17590	2.1
267.20898	1.5
269.19116	2.7
269.22745	4.2
285.22235	1.7
287.20062	9.2
299.20078	2.0
300.20871	4.5
313.25378	2.8
329.21170	3.9
385.19162	1.5
391.26215	5.4
391.33621	13.8
392.31656	3.9
409.27380	47.3
409.34641	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	6.5
55.01873	12.5
55.05518	33.2
57.03445	4.4
57.07085	49.2
67.05519	8.6
69.07075	68.3
71.08630	34.2
71.52885	7.2
79.05483	15.3
81.07066	41.7
83.08630	53.4
84.60136	4.4
85.10185	17.4
86.09702	6.4
87.01514	4.8
89.06018	8.9
91.05448	10.9
93.07037	24.5
95.04984	4.7
95.08616	44.3
97.06526	8.3
97.10179	33.4
105.07052	21.5
107.08614	30.7
109.06485	8.0
109.10143	19.8
111.11717	18.6
117.06922	5.7
119.08564	19.4
121.10144	18.3
123.08075	6.0
123.11673	8.8
125.02357	37.8
125.05934	5.4
127.03897	37.0
131.08559	15.7
131.87880	4.7
133.10121	11.5
135.11681	16.0
139.07541	14.8
145.10138	13.2
147.11653	14.1
149.09581	13.6
149.13240	11.2
156.00377	5.5
157.10159	8.4
159.11671	8.0
161.13278	7.0
163.14828	6.0
167.10661	5.3
169.08604	20.0
173.13313	9.2
175.14888	5.7
177.09149	22.3
177.16302	5.2
181.08575	5.1
183.10127	12.9
187.14813	11.5
195.10161	18.9
195.12030	6.5
196.12668	7.1
201.16359	8.4
209.92778	4.6
225.14848	5.8
227.18108	6.1
239.16481	4.9
251.16316	8.0
253.18039	6.7
265.18021	7.0
279.19592	8.0
335.25809	6.1
345.31485	12.6
355.29880	14.9
373.31003	34.0
380.77649	5.0
391.32034	100.0
409.34488	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.05317	0.8
55.05517	8.8
57.07058	2.5
66.89976	0.9
67.05506	15.7
69.03424	1.3
69.07072	22.4
70.71085	1.7
70.71458	1.8
71.04991	1.5
71.08597	0.8
77.82020	0.7
79.05076	1.2
79.05496	13.0
81.07056	49.5
83.04977	0.9
83.08623	7.3
84.08142	6.6
91.05484	13.0
93.07045	35.7
95.04984	2.1
95.08610	67.7
97.06522	2.6
97.10180	4.5
100.40737	0.9
105.07033	28.4
107.08597	40.4
108.20004	0.8
109.06460	1.1
109.10166	26.2
111.08080	2.1
111.11725	2.5
115.05518	1.2
117.07032	5.2
119.07719	1.2
119.08584	31.5
121.10146	38.2
123.08128	0.9
123.11706	10.5
125.09561	1.1
128.06183	1.2
129.07036	2.4
130.07788	0.9
131.08563	13.3
133.10136	25.7
135.10703	1.4
135.11691	21.4
137.13254	10.4
139.11182	16.0
141.07037	0.9
142.07733	1.2
143.08562	6.5
144.09328	1.4
145.10115	21.6
147.11702	19.9
149.13272	25.1
151.11186	0.8
151.14908	1.3
155.08516	1.7
157.10130	8.3
158.10770	1.1
159.11699	16.0
160.39055	0.9
161.13268	13.0
163.14824	15.1
165.12721	2.0
165.16469	0.9
169.10138	2.6
171.11699	9.6
172.12506	1.1
173.13269	14.5
175.11195	1.1
175.14845	15.0
177.12811	1.1
177.16389	18.8
179.14334	1.3
183.11682	2.5
185.13248	10.2
186.13899	1.2
187.14833	22.5
189.16397	19.2
191.17958	2.8
195.17445	20.5
197.13287	2.5
198.62964	0.9
199.00697	1.0
199.14813	10.7
200.15555	1.0
201.16376	12.1
203.14357	1.9
203.17984	14.4
205.15825	2.3
205.19493	1.3
207.17348	1.4
209.90311	0.9
213.16431	10.7
214.17188	2.0
215.17953	18.7
217.15875	1.7
217.19574	3.8
219.17487	3.1
225.16431	1.3
227.17941	5.5
229.19487	8.0
231.17403	1.1
231.21082	2.3
233.19019	1.4
239.18019	2.0
241.19504	8.1
243.21056	6.2
245.19025	1.5
253.19576	3.0
255.21124	12.6
257.22678	4.0
259.20602	2.5
267.21133	2.9
269.22626	6.0
271.20706	1.5
281.22522	1.5
285.22159	3.6
295.24118	1.8
307.24591	1.3
313.25159	1.0
321.25934	1.0
339.26990	1.1
351.30472	5.6
391.33664	11.8
409.34668	100.0
410.35056	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.1
55.05511	7.5
57.07086	1.7
67.05499	16.3
69.07068	10.5
71.00880	3.6
76.68427	1.3
76.75790	1.7
79.05499	10.0
81.07057	32.1
83.05006	1.9
83.08639	6.6
91.05488	7.0
93.07041	18.2
95.08612	43.2
97.10169	5.5
105.07043	17.4
107.08593	33.5
107.09313	1.9
109.10166	32.0
117.07021	2.5
119.08583	22.5
121.10147	21.7
123.08120	1.3
123.11703	19.0
129.06985	2.2
131.08580	11.6
133.10133	15.3
135.11697	15.6
137.13248	3.8
143.08563	8.2
145.10146	16.8
147.11676	12.1
149.13272	14.0
155.08551	2.3
156.09358	2.0
157.10147	15.0
159.11693	13.6
161.13242	12.2
163.14830	12.3
165.16420	1.7
169.10081	2.8
170.10876	2.3
171.11708	8.1
173.13283	12.7
175.14850	9.0
177.16389	12.5
179.14383	1.6
179.17996	2.6
183.11861	3.2
184.84592	1.4
185.13245	6.5
187.14804	16.4
189.16440	8.4
191.17908	2.2
197.13342	2.7
199.14813	7.0
201.16399	9.3
203.17976	8.6
205.15860	2.3
207.17386	1.9
211.14836	5.2
212.15520	1.5
212.79308	1.3
213.16403	27.2
215.17973	9.2
217.15916	1.7
219.17484	2.5
223.14902	1.7
225.16435	2.4
227.17950	5.8
229.19540	6.5
231.17464	5.9
231.21045	7.6
239.18037	2.8
241.19576	6.1
243.21162	3.6
253.19508	2.8
255.21172	5.9
257.22720	3.0
267.21115	3.3
269.22610	2.8
295.24258	6.5
311.07413	1.3
313.25244	3.2
321.25711	1.8
391.33609	38.5
397.98550	1.3
409.34692	100.0
410.35062	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19274	1.2
55.05510	5.9
57.07081	1.7
62.94720	1.1
67.05503	9.6
69.07079	9.7
74.93870	1.2
79.05493	8.7
81.07059	26.1
82.98088	1.3
83.04953	1.4
83.08615	5.7
91.05489	9.5
93.07053	21.6
95.08613	32.4
97.10147	2.5
98.21540	2.5
105.07032	21.1
107.08598	31.6
109.10153	18.9
117.07014	2.7
119.08589	28.9
121.10148	20.9
123.11733	9.1
129.07021	2.1
131.08574	10.2
133.10138	21.1
135.11687	16.6
137.13254	6.3
142.07779	1.7
143.08597	3.0
145.10132	23.0
147.11703	19.2
149.07452	2.1
149.13283	19.8
157.10149	8.9
159.11703	15.6
161.13243	13.6
163.14830	24.7
169.10127	1.8
171.11662	7.8
173.13251	13.0
175.14885	10.7
177.16428	7.7
179.14326	3.1
183.11702	1.5
184.82236	1.5
185.13243	8.7
187.14838	22.4
189.16402	13.6
191.14333	1.9
191.17967	4.1
197.13277	1.6
199.14861	8.2
201.16420	14.5
203.17996	9.0
205.19501	1.8
207.17535	2.8
211.14888	2.9
213.16412	6.7
215.18028	8.7
217.15947	2.1
217.19507	2.4
225.16406	1.5
227.17909	6.4
228.18594	1.5
229.19519	9.7
231.21080	2.2
239.18086	2.6
241.19507	8.0
243.21004	9.1
250.64851	1.4
253.19438	2.9
255.21130	18.8
257.22693	5.2
259.20731	1.8
267.21066	1.9
269.22623	22.4
273.22168	1.4
276.04120	1.4
283.24323	1.8
285.22052	9.0
295.24106	1.5
391.33627	19.6
409.30066	3.5
409.34665	100.0
410.35010	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.05511	9.8
57.07066	2.7
63.16842	1.4
63.30773	1.5
66.58261	1.6
67.05511	21.3
69.07073	18.1
70.80341	1.5
70.80671	3.3
79.05505	19.8
81.07063	50.2
83.04973	1.4
83.08624	7.4
91.05493	16.9
93.06572	1.1
93.07048	43.7
95.08617	100.0
97.10180	3.0
100.68764	1.5
105.06319	2.0
105.07039	55.3
107.08604	70.8
109.06506	2.4
109.10163	38.0
111.08083	17.1
112.67946	1.4
117.07038	6.6
117.80227	1.5
119.08588	52.9
121.10154	40.8
123.11710	13.8
129.07062	3.4
131.08577	17.4
133.10136	30.3
135.11702	28.3
137.13297	5.1
139.11153	4.4
143.08574	9.9
144.09393	1.9
145.10139	27.6
147.11708	36.3
149.13275	37.1
149.14403	2.9
151.11243	1.9
157.10162	11.6
158.10786	1.5
159.11716	23.3
161.13292	20.4
163.14838	25.4
165.12807	1.4
169.10155	1.7
171.11716	8.8
173.13281	17.4
175.14853	20.7
177.16425	18.8
185.13268	6.7
187.14830	42.7
189.16408	24.0
191.17946	8.3
197.91953	1.6
199.14867	10.5
201.16415	14.2
203.14392	2.3
203.17986	20.9
205.15854	12.2
205.19585	4.9
207.17429	1.8
213.16379	20.8
215.17995	10.4
217.15987	3.6
217.19586	7.5
219.17473	4.6
227.17908	9.7
229.19553	6.5
231.17427	4.1
231.21141	4.0
233.19022	2.7
235.20601	2.7
239.17918	2.5
241.19557	9.4
243.21133	6.8
245.19038	2.2
245.22705	2.5
253.19576	2.2
255.21057	14.0
257.22668	3.6
267.21234	3.2
269.22717	6.8
281.22653	2.8
295.24216	3.3
313.25339	7.5
339.26923	2.1
351.30569	6.2
391.33594	12.9
409.34695	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.05511	8.8
57.07065	2.9
59.04998	0.8
65.03941	1.8
67.05179	1.3
67.05506	15.4
69.06733	1.2
69.07070	16.8
69.79623	4.0
79.05490	12.4
81.07059	32.5
83.04999	1.4
83.08625	7.7
91.05473	14.3
93.07051	32.1
95.08611	63.3
97.06517	0.9
97.10168	4.5
105.07035	31.1
107.08598	61.3
109.06479	1.2
109.10158	31.3
111.11697	1.3
117.07007	4.0
119.08586	32.2
121.06549	2.1
121.10152	46.0
123.08031	1.1
123.11724	10.2
131.08578	7.4
133.10135	29.4
135.08054	3.6
135.10689	1.6
135.11693	21.1
137.09608	1.5
137.13249	3.4
143.08557	2.6
144.09351	1.3
145.10141	18.8
147.11688	22.9
149.09619	0.9
149.13271	31.3
151.11238	1.3
155.08557	1.2
157.10107	2.9
158.11031	0.8
159.11693	13.1
161.09608	1.7
161.13260	14.1
163.11192	12.2
163.14830	24.9
169.10086	1.0
170.10869	0.8
171.11720	3.7
173.13245	6.2
175.11238	1.6
175.14848	24.7
177.12770	3.2
177.16389	34.2
183.11658	1.2
185.13252	4.7
187.14822	17.9
189.12793	1.3
189.16397	19.5
191.14354	1.4
191.17947	13.8
193.15907	1.3
197.13312	1.3
199.14812	3.2
201.16385	12.3
203.17964	80.7
205.15887	48.0
205.19337	4.0
207.17542	1.3
211.14793	0.8
213.16412	3.3
215.17931	5.5
217.15794	1.3
217.19598	4.7
219.17468	7.3
227.17944	2.8
229.19460	4.6
231.17427	5.1
231.20995	1.4
233.19022	1.0
241.19489	9.5
243.21082	3.1
245.19041	2.5
252.30447	0.7
253.19522	3.0
255.21043	3.4
257.19241	1.3
257.22574	3.1
267.21066	1.8
269.22760	1.9
271.20602	2.0
285.22052	1.0
285.25735	0.9
289.62372	0.9
295.24442	1.9
313.25204	1.4
349.28793	0.9
367.30219	1.1
381.35318	4.1
381.39786	0.8
391.33615	12.4
409.34677	100.0
410.34915	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	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.05267	0.9
55.05513	8.5
57.07076	2.1
59.34462	0.7
65.03934	1.1
67.05507	24.4
69.07070	17.1
69.46345	4.9
71.08638	0.8
71.23137	0.8
77.03915	1.0
79.05495	26.8
81.07056	27.2
83.04973	1.8
83.08617	8.7
91.05478	15.5
91.99446	0.7
93.07047	30.6
95.04971	1.9
95.08609	82.6
96.08902	0.8
97.06511	1.2
97.10172	2.8
103.05510	0.9
105.07031	21.9
107.08598	100.0
108.08938	1.0
109.06547	1.3
109.10157	36.7
111.11713	1.4
117.07001	4.3
119.06079	0.7
119.08588	28.2
121.06517	1.6
121.10150	47.2
123.08036	1.6
123.11721	10.1
129.07021	1.6
130.07974	0.6
131.08565	7.5
133.10138	31.5
135.08090	5.4
135.11693	21.3
137.09586	1.8
137.13254	3.4
143.08571	3.2
144.09224	0.9
145.09056	1.6
145.10127	20.1
147.08063	1.0
147.11700	17.9
149.09634	2.6
149.13264	21.5
151.11169	0.8
151.14810	0.9
151.65697	1.0
153.12683	1.4
157.10130	4.6
158.10934	1.9
159.11719	12.0
161.09612	2.3
161.13248	12.2
163.11180	14.9
163.14822	14.8
165.16458	0.9
169.10170	2.0
171.11684	4.0
172.12462	1.5
173.13239	8.5
174.13974	0.9
175.11224	2.9
175.14824	23.7
177.12810	2.3
177.16394	43.3
181.09851	0.7
183.11685	1.8
185.13277	3.7
187.14830	19.3
189.16385	15.6
191.14420	0.9
191.17949	8.6
197.13351	1.3
199.14850	3.3
201.16394	8.2
203.14261	2.4
203.16022	1.5
203.17960	34.9
205.15883	74.7
205.19524	2.7
206.16310	1.0
207.17427	1.7
211.14743	1.1
213.16385	2.6
215.17960	6.8
217.15840	1.7
217.19502	2.6
219.17543	5.3
225.16408	1.3
227.14619	0.8
227.17970	2.4
229.19531	2.7
231.17477	3.0
231.21019	1.7
233.18893	0.9
239.18057	1.5
241.19537	2.2
243.21133	2.3
245.19044	2.8
253.19536	1.8
255.21181	3.8
257.19043	1.2
259.20557	1.4
267.21112	1.2
271.20572	1.3
285.25778	13.7
295.24222	16.6
313.25266	24.3
321.25742	1.2
339.26813	5.1
381.35065	1.3
391.33640	7.9
409.34668	56.7
410.34906	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.4
57.07070	1.9
67.05511	5.6
69.07068	6.6
71.04994	1.0
72.62934	0.8
79.05502	7.7
81.07060	20.0
82.54382	0.7
83.08631	3.2
87.63900	0.7
91.05489	9.9
93.07053	16.8
95.04975	2.5
95.08615	24.1
97.06547	1.3
97.10158	1.5
98.20763	2.7
103.05470	1.2
105.07035	29.2
107.08594	21.9
109.06528	4.4
109.10178	9.5
111.08086	1.0
117.07021	2.6
119.08587	33.9
121.06511	1.7
121.10149	25.2
123.08065	0.9
123.11668	4.0
129.07008	1.7
130.07800	0.8
131.08560	7.0
133.10139	18.5
135.08038	2.9
135.11710	9.6
137.13254	2.2
142.07750	0.9
143.08577	3.4
145.10132	14.1
147.08018	1.7
147.11697	12.3
149.09563	1.6
149.13254	6.0
151.07561	1.0
157.10136	5.5
159.11703	8.1
161.09615	2.0
161.13277	7.7
163.11342	1.0
163.14835	5.1
169.10226	1.2
171.11703	1.9
172.12581	0.8
173.13252	4.6
175.11166	1.8
175.14818	13.4
177.16394	7.6
179.14342	0.8
185.13249	6.3
187.14833	13.2
189.16393	16.1
191.14360	1.0
191.18016	4.3
197.13300	0.8
199.14845	2.9
201.16371	4.5
203.14328	44.1
203.17891	5.4
204.14685	0.7
205.15884	18.3
207.17462	4.8
211.14859	0.9
213.16487	4.5
214.17255	1.0
215.17935	3.6
217.19586	1.2
219.17415	1.8
221.15428	3.1
227.18033	1.7
229.15955	1.0
229.19572	3.0
231.17458	1.9
239.18095	1.0
241.19574	2.5
243.21011	1.3
253.19661	0.8
255.21111	6.2
257.22665	1.0
267.21088	0.8
269.22693	2.0
273.22318	0.8
295.24155	0.8
313.25317	1.0
391.33658	8.1
409.34668	100.0
410.35007	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.4
57.07071	2.2
67.05512	9.1
67.41759	1.5
69.07075	13.4
71.52853	1.6
73.07463	1.4
79.05477	7.3
81.06605	2.2
81.07062	26.4
82.07376	2.2
83.08603	5.1
91.05486	8.5
91.43987	1.4
93.07049	21.5
95.08612	39.6
96.08912	4.2
97.10136	3.1
105.07037	29.1
107.08609	33.9
109.06461	2.0
109.10171	19.6
111.08054	1.6
114.84824	1.5
117.07038	3.1
119.08584	35.7
121.09350	2.2
121.10159	32.1
123.11687	5.1
129.06970	2.0
131.08609	11.2
133.10136	23.4
135.08032	2.0
135.11693	15.6
137.13229	6.9
143.08594	3.4
145.10123	17.5
147.11688	16.4
149.13272	11.1
154.12271	6.8
155.08466	1.7
157.10080	5.9
159.11691	13.6
161.13297	11.9
163.11113	2.1
163.14867	11.8
170.10992	1.7
171.11638	4.6
171.14888	5.8
173.13268	10.6
175.14827	15.3
177.16385	8.6
179.14264	2.1
183.11639	2.2
185.13199	6.1
187.14841	21.5
189.16377	18.6
191.14279	4.6
191.17958	20.0
199.14796	5.6
201.16403	15.7
203.14322	23.1
203.17975	12.5
205.15955	14.6
207.17392	6.6
213.16367	4.7
215.17973	5.3
217.19539	3.7
219.17450	8.9
227.17880	3.5
229.19460	4.7
241.19507	2.8
243.21107	4.2
250.90419	1.5
253.19547	2.4
255.21095	9.6
257.22607	4.4
261.22266	1.9
267.20993	3.5
269.22684	11.9
283.23712	2.2
295.24225	2.7
391.33630	13.2
409.34534	100.0
410.34610	3.1
426.64844	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.7
56.75404	1.5
57.03423	1.6
57.07075	1.7
58.99247	1.7
62.66954	1.3
67.05503	12.0
69.07067	11.1
69.26145	1.7
69.40187	12.1
77.03919	1.6
79.05486	7.3
81.07056	26.3
83.08614	7.1
89.06023	5.7
91.05477	11.9
92.21113	1.7
93.07059	23.2
95.08610	44.4
97.10166	3.8
105.07031	25.5
107.08601	38.8
109.10165	27.9
117.06996	4.1
119.08581	29.4
121.10149	31.9
123.11712	9.2
129.07002	3.9
131.08563	29.6
133.10138	22.2
134.09131	1.7
135.11710	20.2
137.13278	7.8
142.07745	1.8
143.08586	10.1
145.10135	25.6
147.11671	14.2
149.13246	16.2
151.07506	2.3
156.09389	2.4
157.10117	14.7
158.10951	2.1
159.11708	25.1
161.13237	12.7
163.14841	30.8
165.12761	1.8
169.10068	2.8
171.11690	12.5
173.13249	16.4
175.14832	12.6
177.16400	7.8
179.14342	2.4
183.11710	5.8
185.13293	13.0
187.14832	33.5
189.16333	10.5
191.17955	12.5
195.12277	10.0
196.12622	6.5
199.14850	6.6
201.16386	20.3
203.14282	1.8
203.17984	6.8
205.15869	3.5
211.14880	3.6
213.16393	7.3
215.17824	8.1
217.19510	4.9
225.16393	2.0
227.17964	7.2
229.19502	21.8
231.21097	7.2
233.18987	2.0
241.19479	18.6
243.21033	14.5
247.20584	2.7
253.19533	5.9
255.21103	27.8
257.22662	3.1
259.20819	2.2
267.21118	5.3
269.22720	21.1
283.23807	2.0
285.22113	5.1
295.24268	5.0
321.25992	1.8
349.28415	1.8
391.33606	30.2
409.34674	100.0
410.34821	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	409.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.7
55.13974	1.8
57.03424	3.7
57.07066	8.4
59.04993	3.4
67.05511	15.4
69.07074	18.9
71.08649	3.2
79.05495	7.4
81.07063	42.4
83.08625	15.6
91.05479	14.2
93.07062	19.4
95.08611	65.9
97.06551	2.4
97.10196	4.3
99.08084	3.6
105.07025	23.2
107.08595	30.1
109.10152	29.1
113.09650	57.1
117.07026	2.8
119.08589	26.8
121.10158	22.7
123.08150	3.3
123.11726	20.6
130.07813	2.1
131.08546	15.0
133.10135	22.7
135.08160	2.4
135.11685	17.4
137.13239	18.0
143.08589	9.3
145.10143	21.2
145.78271	2.3
147.11716	14.7
149.13260	20.6
151.14841	4.5
155.08607	3.0
157.10138	10.5
159.11673	16.0
161.13268	10.5
163.14838	8.1
167.68797	2.0
169.08719	2.2
169.10162	6.4
171.11696	11.0
173.13292	9.1
175.14851	7.9
177.12668	3.0
177.16380	10.5
183.11702	5.0
185.13300	6.9
187.14841	13.3
189.16397	9.9
191.17934	9.8
197.13304	2.2
199.14749	3.4
201.16368	9.3
203.14262	2.5
203.18034	6.9
205.15941	5.9
205.19579	3.5
213.16458	7.0
215.18001	7.5
217.15837	4.2
217.19589	2.8
219.17500	2.6
225.16458	3.3
225.81976	2.1
226.31145	2.0
227.17882	3.8
229.15813	2.5
229.19670	5.6
231.17480	4.9
234.75507	2.8
241.19614	5.1
245.19160	2.5
253.19594	6.4
255.21082	4.4
257.19070	2.5
257.22586	5.7
259.20697	4.9
267.21088	3.4
269.22708	4.3
269.56354	2.3
271.11472	2.0
271.20728	5.0
283.24274	19.3
284.24908	2.4
285.22177	5.0
295.24133	2.6
297.45813	2.2
298.22543	2.0
309.24582	2.2
313.25369	2.7
391.33704	26.7
409.34698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.6
55.40710	2.5
55.41145	2.3
56.01202	2.3
57.07074	5.6
57.35398	2.2
58.18475	2.3
60.65062	2.3
66.66526	2.9
67.05506	14.6
69.07080	12.5
71.08608	3.0
71.53252	2.4
72.09387	2.3
74.38023	2.1
79.05482	10.1
81.07059	34.6
83.08604	8.1
85.15746	2.3
89.06042	4.7
91.05485	7.2
93.07047	24.3
95.08611	64.9
97.10181	5.4
105.07025	16.6
107.08598	38.2
109.10175	29.1
111.11731	3.1
117.71211	2.1
119.08572	25.7
121.10156	24.9
123.11706	15.0
131.08563	11.4
133.10106	22.0
135.11700	20.8
137.13257	4.1
143.08577	7.9
145.10114	16.9
147.11668	20.9
149.13310	15.2
157.10167	8.9
159.11693	14.8
161.13261	12.2
163.14813	8.5
171.11708	17.3
173.13313	10.7
175.14854	9.6
177.16386	7.7
179.14394	3.6
183.11717	4.2
185.13266	9.3
187.14853	11.4
189.16420	8.8
191.17973	16.3
195.12305	4.7
196.12598	3.3
199.14761	3.2
201.16391	13.7
203.17989	4.8
213.16464	5.8
215.17978	7.8
217.19550	8.3
225.16739	2.6
227.17978	5.0
229.15990	2.5
229.19510	11.5
241.19507	72.5
243.21120	4.4
255.21123	6.9
267.21167	3.7
269.22705	3.8
283.24091	4.2
295.24332	3.0
313.25687	2.7
327.26865	6.2
339.27097	3.0
391.33701	15.2
409.34689	100.0
410.35272	3.8
410.50400	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30031	0.8
51.02399	1.1
52.01944	1.0
53.03944	2.5
55.01867	1.1
55.05516	10.3
57.07076	5.0
59.04976	1.2
65.03932	1.6
67.05508	29.3
68.32018	0.9
69.03435	2.9
69.07072	20.6
71.08638	1.2
79.05497	25.3
79.48952	0.8
81.07060	53.2
83.04989	4.9
83.08620	11.6
85.06562	2.0
91.05483	21.7
93.07047	48.1
94.07404	0.9
95.04988	3.5
95.08611	92.1
96.08957	0.9
97.06534	1.9
97.10153	5.3
99.08115	3.8
103.05495	0.9
105.06307	1.4
105.06464	0.6
105.07033	42.1
107.08598	100.0
108.08926	1.9
109.06499	4.5
109.10162	59.8
111.08107	7.3
111.11718	1.6
115.05404	1.1
117.07031	4.9
119.08585	47.7
121.06477	1.4
121.10147	62.7
122.10519	1.2
123.08110	2.0
123.11720	20.3
125.09646	5.5
128.06241	1.1
129.07014	2.9
130.07805	0.9
131.08563	19.0
132.08931	1.4
133.10138	41.3
134.10512	1.1
135.08099	2.2
135.11696	30.4
137.09641	3.7
137.13283	3.8
139.11230	1.5
142.07799	1.4
143.08549	8.3
144.09311	1.5
145.10130	35.5
146.10522	2.2
147.11694	21.3
147.12794	1.4
149.09624	2.2
149.13271	31.9
151.11200	4.0
153.12717	1.3
155.08574	1.1
156.09390	1.1
157.10150	7.5
158.10918	1.8
159.11702	23.7
160.12317	1.1
161.09685	1.4
161.13263	20.5
163.11205	10.3
163.14827	19.9
165.12743	1.5
165.16461	1.8
169.10225	1.8
170.10971	1.5
171.11684	6.9
172.12451	2.3
173.13269	13.5
174.13730	2.2
175.11311	1.9
175.14839	30.9
175.16292	1.7
177.12874	2.9
177.16396	51.5
179.55847	1.1
183.11700	2.6
185.13330	4.5
187.14832	98.4
188.15262	3.3
189.12825	1.8
189.16437	27.0
191.14355	3.5
191.17973	20.9
193.15918	4.2
197.13277	1.6
199.14815	6.1
201.16396	22.5
203.14403	2.9
203.17960	42.0
205.15889	61.0
207.17471	1.8
211.14915	2.4
213.16370	15.0
214.16882	2.3
215.17982	10.7
216.18362	1.5
217.15955	3.3
217.19542	15.3
219.17447	12.4
222.75111	1.0
225.16489	4.0
227.17955	7.0
229.19574	3.8
231.17535	3.4
233.19115	1.3
235.20569	1.4
237.16479	1.6
239.18066	4.0
241.19528	6.3
243.17409	1.4
243.21152	2.6
245.19092	2.4
245.22725	4.2
253.19623	2.2
255.21156	4.0
257.22723	3.8
259.20609	1.6
267.21057	4.7
268.21460	1.4
269.22729	3.2
271.20706	2.5
271.24228	2.1
281.22620	2.4
283.24283	1.4
285.22516	1.8
285.25702	7.5
295.24265	13.3
295.27328	1.4
307.24146	1.7
309.25925	1.7
313.25244	18.2
313.28671	1.7
321.25809	2.0
339.26984	3.3
349.28821	1.1
363.30551	3.2
381.35376	1.7
391.33527	14.3
409.26666	12.7
409.34747	81.9
410.35056	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	409.383
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05516	18.8
55.34866	1.4
57.07088	7.0
61.03416	1.3
67.05511	25.1
68.85226	1.3
69.07077	42.4
71.08635	4.2
71.37630	2.3
79.05499	10.9
80.47453	1.4
81.07062	65.5
83.08624	20.8
91.05484	6.1
93.07057	24.2
95.08612	65.3
97.10162	9.1
105.07027	20.2
107.08607	31.9
109.10162	49.3
109.64464	1.4
111.11753	5.0
113.07931	1.4
115.02832	1.6
117.07000	2.2
119.08596	24.6
121.10149	32.5
123.11723	25.6
131.08548	7.3
133.10147	20.8
135.11717	23.8
137.13261	18.9
144.09384	1.7
145.10130	14.2
147.11693	18.5
149.13277	20.3
151.14795	3.7
154.06297	1.9
157.10181	3.0
159.11691	15.5
161.13257	14.7
163.14819	13.0
171.11717	4.7
173.13303	11.0
175.14816	14.7
177.16405	12.8
185.13252	3.6
187.14835	11.3
189.16415	11.1
191.17967	7.4
199.14929	3.7
201.16455	8.3
203.17963	8.9
205.19626	2.5
213.16399	3.6
215.17929	7.0
217.19545	9.4
227.17871	2.9
229.19554	5.7
231.21182	4.2
243.21152	3.6
245.22778	2.3
257.22623	8.0
259.24222	5.3
271.24219	4.5
285.25757	5.7
297.25641	2.5
299.27429	3.1
311.27451	2.0
313.29080	1.8
324.21387	1.5
325.28845	3.0
327.30347	7.5
339.30655	2.5
353.32187	4.3
367.33676	3.0
409.38333	100.0
410.38583	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	409.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.05510	17.1
57.07069	8.1
67.05510	24.5
69.07075	46.7
69.80150	10.7
70.06421	2.1
71.08630	3.7
79.05486	10.8
81.07061	90.2
82.90668	2.3
83.08627	17.2
87.52775	2.0
90.93350	1.9
91.05493	5.8
93.07046	21.2
94.91979	2.2
95.08617	69.5
97.10161	10.3
97.76267	2.2
98.21506	3.1
105.07031	16.3
107.08604	35.7
109.10165	53.1
109.10939	2.6
111.11735	5.9
117.07027	2.7
119.08591	25.3
121.10155	34.2
123.11710	32.5
125.13354	2.6
131.08592	6.1
133.10138	16.6
135.11687	21.9
137.13266	16.0
143.08647	2.7
144.09285	2.1
145.10158	9.2
147.11697	18.6
149.13258	18.8
151.14853	4.6
157.10167	4.3
159.11705	14.1
161.13283	18.2
163.14804	16.0
171.11681	2.4
173.13271	16.7
175.14819	13.5
177.16374	14.0
179.17990	2.3
187.14813	10.7
189.16449	11.7
191.17947	8.0
201.16394	4.5
203.17967	11.0
205.19627	5.3
213.16426	3.9
215.18018	9.0
217.19502	7.5
219.21040	3.4
227.17935	3.4
229.19534	16.7
231.21112	8.4
243.21104	6.5
245.22723	2.8
255.20988	2.8
257.22653	6.5
259.24252	8.3
271.24301	6.8
279.83170	2.1
285.25873	6.7
299.27383	4.2
313.29059	2.8
315.31012	2.4
324.99368	2.6
327.30334	4.1
353.32138	3.7
409.38348	100.0
433.91885	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	410.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
57.03441	6.8
58.85667	0.6
58.85971	0.6
61.02920	2.0
63.55823	0.5
69.03424	6.0
69.65015	1.2
69.65426	2.2
70.06596	1.0
71.01353	1.0
71.04992	0.6
72.08153	1.1
73.02915	14.8
79.05474	0.7
81.03418	100.0
81.07050	1.1
83.04988	0.9
84.08154	1.6
85.02901	8.2
86.09699	2.1
87.04471	0.9
90.66127	0.5
91.05476	1.0
93.07091	0.7
95.04952	2.8
97.02885	8.9
98.06065	0.9
99.04465	1.8
99.08089	0.9
107.04939	1.2
107.08618	0.9
109.02861	0.6
109.06501	1.6
111.04488	0.8
115.03928	7.4
116.07067	0.7
121.06526	0.9
123.04423	1.8
124.03921	1.0
127.03937	4.0
127.07567	2.0
129.25673	0.5
131.08685	0.6
133.04968	1.6
135.04407	1.2
137.06006	2.1
145.04984	3.2
149.09537	0.6
150.07651	1.6
162.05550	1.7
162.07631	0.6
163.03944	0.7
163.06035	0.9
164.07027	1.2
167.11960	0.6
177.05490	0.8
195.06482	1.6
195.10178	1.2
213.07573	5.0
213.11255	1.9
223.06136	0.6
225.07524	1.1
225.46834	0.5
239.40540	0.6
247.55392	0.5
268.08212	1.0
410.11157	1.1
410.17365	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81340	59.6
69.81748	90.4
81.61686	25.9
85.78710	29.1
91.15871	25.7
104.57944	27.5
106.94978	27.6
150.74739	29.4
165.72298	26.4
209.79796	30.0
274.21539	31.0
320.87616	29.6
379.11517	66.5
411.12738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56590	18.5
63.34104	18.9
69.65676	100.0
87.59387	18.6
98.20824	22.8
100.67606	20.9
130.88896	20.7
166.27243	20.6
315.09714	22.0
317.24759	19.3
371.36078	18.6
373.52966	20.3
411.12015	49.6
434.48254	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.8
53.03947	9.0
55.01879	7.5
55.05507	2.4
57.03401	2.4
59.05003	2.0
61.02911	3.6
63.05688	1.0
63.43741	1.1
63.80452	1.0
67.05508	10.1
68.99786	6.9
69.03433	88.7
71.01364	7.5
71.04987	5.0
71.52202	1.4
73.02928	1.1
79.05502	19.2
80.72504	1.0
81.03424	27.3
81.07059	11.4
83.01331	3.0
83.04978	2.7
85.02910	23.0
85.06530	1.2
87.00841	10.7
91.05487	18.4
93.07047	30.3
95.04972	11.3
95.08617	18.8
97.02895	25.2
97.06505	1.8
99.04468	5.1
101.02373	1.5
105.01876	2.4
105.03417	2.1
105.07041	8.0
107.04964	6.1
107.08601	14.2
107.23669	1.1
109.02890	25.7
109.06526	5.7
109.10178	1.4
111.04443	2.3
111.08076	4.3
115.05463	7.0
117.07029	18.6
119.04939	1.4
119.06062	1.3
119.08607	5.0
121.02855	1.8
121.06512	3.4
123.04440	4.6
124.04781	1.7
125.02336	6.7
126.09129	2.2
127.03923	45.1
127.09482	1.0
129.01857	6.6
129.06927	1.8
131.08603	2.5
133.06500	1.7
133.10095	1.8
135.04402	2.6
135.08061	56.6
137.09653	11.6
139.03870	3.9
143.08582	1.4
145.04997	4.5
145.06494	4.1
145.10094	1.3
147.02885	3.7
147.04443	3.2
147.08060	1.5
150.09215	1.5
151.07564	2.0
153.01814	1.2
153.05473	1.9
153.09109	6.5
157.10091	1.5
159.08020	1.5
161.05978	1.6
161.09622	2.2
163.03918	4.6
163.07550	100.0
164.07880	1.9
171.21304	1.3
172.29681	1.1
177.09123	1.5
179.07066	3.2
181.08601	91.4
187.11244	1.1
199.09555	1.3
201.09326	1.3
205.08647	1.4
213.03920	4.8
213.14862	3.4
214.15227	6.8
223.36835	1.1
225.09166	1.3
231.05040	6.3
243.10493	1.0
244.27861	1.2
249.13068	2.7
261.11142	1.3
271.09375	1.2
289.10678	1.6
307.11673	2.2
325.12906	3.2
390.57477	1.1
393.11932	3.6
411.12833	16.3
411.19830	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	411.1992
Annotation	Flumethasone
Peak:m/z	Relative Intensity
67.05533	0.5
69.03422	0.5
69.07066	0.5
70.90163	0.5
70.90495	0.6
71.04989	0.5
72.60135	0.4
81.07060	1.0
85.02901	1.3
105.01904	0.6
116.70200	0.4
127.03960	0.9
147.04385	0.7
150.09189	0.9
163.03932	1.4
164.07137	0.8
203.05283	1.5
213.18562	1.1
224.90717	0.4
249.14925	0.9
249.20694	0.6
267.10965	0.6
347.19788	1.1
349.40720	0.4
411.20267	100.0
412.20248	1.7
417.57687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41028	0.3
67.05515	0.5
69.03432	0.9
70.06633	0.4
81.03431	0.4
81.07068	0.5
85.02911	0.9
86.47593	0.3
97.02920	0.6
105.01885	0.5
107.04972	0.4
107.08612	0.4
120.20137	0.3
121.37026	0.3
127.03965	0.5
129.09192	0.3
137.05949	0.4
146.36334	0.3
163.03961	0.9
171.11824	0.4
203.05275	4.3
203.10736	0.3
231.13623	1.6
349.72223	0.3
353.15698	8.8
411.19968	100.0
412.20224	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	411.2011
Annotation	(+)-Picriside B
Peak:m/z	Relative Intensity
53.37477	0.3
55.05514	1.9
61.01160	0.4
69.03440	0.5
69.07092	0.4
71.31982	0.5
72.08167	1.7
78.79958	0.4
79.05493	0.5
81.03413	0.3
83.04977	0.4
85.02911	0.7
86.09702	0.4
91.05505	0.4
97.02872	0.4
98.06049	2.6
99.85292	0.3
103.05491	2.0
103.06068	0.4
105.07031	3.3
107.08609	0.5
111.04436	0.4
116.07092	1.8
118.06537	1.0
119.07327	1.3
120.08107	1.4
120.50123	0.3
121.10152	0.5
127.03927	0.6
128.05006	0.4
131.04945	1.0
146.06050	1.5
163.03902	0.9
163.32388	0.3
164.07077	17.6
165.07339	0.4
174.12785	0.4
187.11232	0.3
213.64262	0.3
231.13519	1.5
237.70108	0.3
249.14825	0.8
260.61453	0.3
315.69421	0.3
365.18655	0.7
367.36981	0.3
411.19754	100.0
412.19904	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	411.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
54.59168	1.5
55.05273	1.7
55.05515	23.3
55.63877	1.3
57.07061	2.5
65.30561	1.3
67.05503	12.9
69.07076	22.1
69.24565	1.3
69.85719	7.5
71.08617	2.4
79.05495	9.7
81.07064	27.6
82.31422	1.3
83.08621	66.0
91.05489	12.6
91.30516	1.9
93.06494	2.0
93.07050	24.0
95.08614	54.9
97.10155	4.7
99.82552	1.5
105.07046	30.7
107.08601	53.4
108.08923	1.7
109.10170	28.8
117.07040	1.7
119.08588	59.5
121.10155	58.6
121.11040	2.3
123.08107	2.1
123.11719	11.8
125.27087	1.5
131.08585	4.8
133.10136	36.2
135.08037	1.9
135.11703	21.4
137.13261	3.7
145.10156	9.3
147.11694	29.2
148.12064	2.1
149.13280	12.2
151.07426	2.0
151.14816	1.8
153.09129	4.9
157.10214	2.4
159.11716	8.3
161.13283	14.8
163.14845	28.6
165.09189	1.4
171.11725	1.4
173.13226	6.1
173.14534	1.4
175.14836	42.6
177.16408	49.2
179.10597	1.5
185.13251	2.4
187.14847	6.7
189.16397	100.0
190.16666	3.9
191.17984	10.4
193.15863	2.1
199.14844	2.7
201.16399	13.3
203.17966	17.3
204.18311	1.8
207.17395	4.0
213.16449	4.8
215.18005	3.8
217.15996	1.9
217.19594	6.9
219.17485	1.9
221.15372	3.1
229.19542	2.2
234.35167	1.6
235.16933	10.4
241.19511	2.7
243.21040	3.2
247.16905	3.9
249.18556	3.0
255.21135	2.2
259.16830	1.8
261.18509	1.4
269.22455	1.5
273.18683	1.6
283.24188	3.8
309.25534	2.0
315.23032	1.6
329.24673	4.0
355.26227	3.2
365.31995	10.4
393.34698	3.3
399.47427	1.6
411.31924	35.4
411.36618	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	411.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
54.59168	1.5
55.05273	1.7
55.05515	23.3
55.63877	1.3
57.07061	2.5
65.30561	1.3
67.05503	12.9
69.07076	22.1
69.24565	1.3
69.85719	7.5
71.08617	2.4
79.05495	9.7
81.07064	27.6
82.31422	1.3
83.08621	66.0
91.05489	12.6
91.30516	1.9
93.06494	2.0
93.07050	24.0
95.08614	54.9
97.10155	4.7
99.82552	1.5
105.07046	30.7
107.08601	53.4
108.08923	1.7
109.10170	28.8
117.07040	1.7
119.08588	59.5
121.10155	58.6
121.11040	2.3
123.08107	2.1
123.11719	11.8
125.27087	1.5
131.08585	4.8
133.10136	36.2
135.08037	1.9
135.11703	21.4
137.13261	3.7
145.10156	9.3
147.11694	29.2
148.12064	2.1
149.13280	12.2
151.07426	2.0
151.14816	1.8
153.09129	4.9
157.10214	2.4
159.11716	8.3
161.13283	14.8
163.14845	28.6
165.09189	1.4
171.11725	1.4
173.13226	6.1
173.14534	1.4
175.14836	42.6
177.16408	49.2
179.10597	1.5
185.13251	2.4
187.14847	6.7
189.16397	100.0
190.16666	3.9
191.17984	10.4
193.15863	2.1
199.14844	2.7
201.16399	13.3
203.17966	17.3
204.18311	1.8
207.17395	4.0
213.16449	4.8
215.18005	3.8
217.15996	1.9
217.19594	6.9
219.17485	1.9
221.15372	3.1
229.19542	2.2
234.35167	1.6
235.16933	10.4
241.19511	2.7
243.21040	3.2
247.16905	3.9
249.18556	3.0
255.21135	2.2
259.16830	1.8
261.18509	1.4
269.22455	1.5
273.18683	1.6
283.24188	3.8
309.25534	2.0
315.23032	1.6
329.24673	4.0
355.26227	3.2
365.31995	10.4
393.34698	3.3
399.47427	1.6
411.31924	35.4
411.36618	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	411.3623
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03933	2.2
55.05513	10.1
56.15501	1.0
57.07059	2.7
65.03906	1.1
67.05514	18.7
67.33531	1.0
69.07069	17.0
69.21544	10.6
71.08648	1.7
71.73911	1.2
73.01617	1.2
79.05502	17.2
81.07063	48.7
83.08620	8.4
91.05487	13.9
93.07052	50.5
94.97327	1.1
95.05003	1.4
95.08615	100.0
97.06528	1.1
97.10173	4.0
97.95295	1.1
98.20706	2.3
99.08129	1.2
99.48858	1.3
100.19749	1.3
105.07038	28.1
105.07701	2.4
107.08601	78.2
109.06509	2.2
109.10162	46.8
111.11733	2.0
116.32275	1.3
117.07012	3.1
119.08590	35.5
121.10151	56.9
123.08073	1.6
123.11721	15.0
125.09673	1.6
131.08575	4.4
133.10144	26.4
135.11705	32.0
137.09683	1.6
137.13237	5.9
145.10147	8.2
147.11699	21.6
149.13272	34.0
151.07579	2.2
151.14876	1.9
159.11690	7.9
161.13280	22.4
163.14832	63.7
165.12834	1.5
171.11742	2.4
173.13281	8.0
175.14844	23.8
177.12921	2.5
177.16412	21.6
179.14346	7.1
185.13182	1.9
187.14862	11.9
189.16405	26.8
191.10741	1.4
191.17970	16.3
201.16376	8.5
203.17966	35.7
205.15962	2.2
205.19513	6.4
207.17467	7.1
213.16425	1.8
215.17918	7.0
217.19580	5.4
219.17525	1.4
221.19049	2.2
227.18010	2.6
229.19557	4.9
231.21010	14.8
233.19034	5.1
241.19600	2.7
243.21140	2.3
245.22571	1.6
257.22736	2.4
297.25836	12.9
315.26788	7.0
341.28497	3.4
393.35291	10.8
411.36288	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	411.3622
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03932	1.7
55.05515	8.2
57.07063	3.5
67.05504	22.8
69.07067	15.9
69.60870	7.4
79.05495	12.3
79.14408	1.2
81.07059	52.8
83.08619	9.9
85.06529	1.2
91.05481	13.7
93.07040	34.3
95.08607	100.0
97.10163	6.3
105.07028	29.2
107.08593	54.1
109.06550	2.1
109.10159	57.7
111.08056	5.2
111.11710	1.6
117.07033	3.5
119.08580	50.1
121.10139	47.9
123.07998	1.8
123.11711	17.8
129.07024	2.0
130.43245	1.2
131.08553	9.2
133.10132	35.7
135.11688	50.9
137.13235	4.4
139.11150	1.7
143.08559	2.5
145.10104	14.0
147.11687	29.1
149.13252	26.2
151.11192	4.4
157.10078	2.3
159.11693	19.0
161.13255	34.1
163.14832	21.6
165.12712	2.2
165.16380	3.5
166.52713	1.3
171.11708	2.7
173.13254	13.6
175.14825	55.4
177.12860	1.9
177.16409	26.0
179.14236	6.4
185.13322	4.1
187.14819	15.5
189.16383	44.8
190.73341	1.1
191.17949	28.6
193.15833	3.1
199.14807	3.9
201.16373	17.7
203.17963	47.1
205.15916	1.9
205.19548	4.8
207.17433	31.3
213.16371	4.3
215.17989	14.7
217.19495	11.6
219.17477	2.4
221.18919	4.2
227.17964	4.6
229.19496	13.8
231.21098	8.7
231.23140	1.5
233.19019	4.5
239.44254	1.4
241.19453	2.8
243.21060	10.6
245.22675	2.2
247.20544	2.0
255.21133	5.4
257.22653	10.9
269.22708	6.1
271.24319	4.3
283.24249	1.9
287.20584	1.3
287.23730	4.2
297.25839	10.4
315.26779	7.3
323.27515	3.5
341.28247	5.0
351.30521	7.8
393.35141	48.3
411.16058	1.7
411.31516	3.5
411.36197	70.4
412.36536	2.3
437.66013	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3623
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
52.80366	1.4
55.05500	7.9
57.07082	2.8
60.23134	1.2
67.05503	15.6
69.07074	15.3
69.60929	3.2
69.61343	6.6
79.05497	13.2
81.07060	42.3
83.08613	7.3
85.06518	1.6
91.05464	9.1
93.07050	31.4
95.08614	62.0
97.06524	2.5
97.10172	4.1
98.21503	2.5
105.07033	17.8
107.07884	3.1
107.08597	53.2
109.10161	46.4
111.08117	1.6
111.11726	2.1
117.07014	3.0
119.08587	26.5
121.10153	40.9
123.11719	21.1
123.69057	1.3
124.78802	1.3
131.08598	5.2
133.10136	29.1
135.11697	42.7
137.13281	6.1
143.08554	1.8
145.10117	11.6
147.11681	19.9
149.13261	23.0
157.10162	2.1
159.11697	12.7
161.13277	16.5
163.14830	21.8
165.16426	3.8
173.13251	12.4
175.14839	12.7
177.16397	14.7
179.14336	2.6
185.13222	4.0
187.14879	11.1
189.16422	11.2
191.17911	10.4
193.15952	2.0
193.60548	1.4
199.14954	2.7
201.16396	9.1
203.17950	13.4
205.19485	1.6
207.17455	2.4
213.16330	3.0
215.17946	12.1
217.19476	10.3
219.17392	2.4
223.14774	1.5
227.17952	1.8
229.19450	9.1
231.21133	9.5
233.19009	3.1
241.19518	4.5
243.21127	15.7
245.22661	11.6
247.20578	2.4
255.21106	12.1
257.22702	14.6
259.24280	4.9
261.22159	3.3
269.22769	7.2
271.24307	11.9
273.22134	2.7
278.36841	1.3
287.23752	5.6
297.25803	2.4
323.27457	2.6
337.29175	2.3
351.30634	3.1
393.35153	36.6
411.36258	100.0
412.36703	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	411.3623
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
54.53331	0.7
55.05511	4.0
55.38570	0.6
55.94976	0.7
57.07068	2.5
60.89732	0.7
65.03993	0.6
67.05185	0.8
67.05508	8.4
69.07073	8.8
70.82014	1.4
71.08628	0.8
79.05506	6.4
81.06590	1.4
81.07063	26.7
83.08616	4.9
91.05485	5.1
92.59646	0.7
93.07050	15.8
95.04954	0.9
95.08615	38.6
97.06529	2.3
97.10168	1.7
105.07039	11.9
107.08604	29.7
109.10168	23.3
111.08066	1.4
114.10504	0.7
115.15072	0.8
119.08587	15.9
121.10155	23.1
123.08105	0.9
123.11725	9.4
131.08560	2.4
133.10143	16.0
135.11693	18.6
136.49167	0.6
137.13303	3.3
143.08507	0.9
145.10141	6.5
147.11710	9.6
149.13261	11.8
157.10129	1.6
159.11703	5.2
161.13263	8.4
163.11240	0.9
163.14836	12.1
165.16367	1.3
171.11853	0.9
173.13283	6.2
175.14825	7.5
177.16396	31.7
179.14294	1.0
179.17999	1.2
185.13319	1.0
187.14812	4.0
189.14986	1.0
189.16428	8.9
191.18004	5.6
199.14809	1.3
201.16399	5.6
203.17973	9.3
205.19618	1.7
207.17429	1.0
213.16331	0.9
215.17918	4.7
217.19583	6.0
227.17841	1.1
229.19484	4.3
231.21077	10.1
233.19072	1.6
241.19487	1.5
243.21051	4.7
245.22702	3.3
247.20628	5.7
255.21095	3.1
257.22784	4.0
259.24393	1.0
261.22195	2.3
269.22687	2.8
271.24304	4.5
287.23706	1.2
351.30380	0.7
393.35233	20.0
411.36243	100.0
412.36392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3624
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03949	4.5
55.05513	14.4
57.07071	6.3
67.05236	2.1
67.05513	22.6
69.07074	26.5
69.26192	20.7
70.22523	2.2
71.08616	3.0
72.04553	2.0
72.46183	2.2
77.48228	2.1
79.05490	19.2
79.76828	2.4
81.07062	71.2
83.08611	10.0
91.05479	18.2
91.56277	2.1
93.07053	46.4
95.08610	94.3
97.10168	8.1
104.69301	2.3
105.07039	36.8
107.08597	70.5
109.10168	55.1
111.11736	4.3
117.07021	5.4
119.08595	54.9
121.10153	53.8
123.08070	2.8
123.11680	24.1
129.07011	3.2
131.08585	14.3
133.10146	43.8
135.11699	47.2
137.09583	2.9
137.13284	13.1
137.14211	2.8
143.08577	8.8
144.09328	3.0
145.10126	21.6
147.11710	35.8
149.13258	19.2
157.10138	11.4
159.11705	28.1
161.13271	29.0
163.11165	2.5
163.14815	25.9
165.16476	4.2
171.11717	9.2
173.13255	20.6
175.14861	27.3
177.16411	21.8
179.14360	6.9
185.13347	5.3
186.14073	7.8
187.14867	20.5
189.16389	37.6
191.17940	13.6
199.14870	12.3
201.16389	16.5
203.17975	27.1
205.19556	4.4
207.17468	5.4
213.16455	11.3
214.17155	6.2
215.17949	25.6
217.15834	4.0
217.19585	9.5
227.17986	5.9
229.19534	42.2
231.21091	11.7
233.19032	3.8
241.19528	5.1
243.21144	9.5
245.22681	4.4
247.20563	22.0
255.21165	9.3
257.22659	11.3
259.24286	5.0
261.22211	4.4
269.22672	5.6
271.24268	6.6
273.22354	2.9
283.24164	2.9
285.25885	3.5
323.27234	3.0
351.30292	3.3
360.38696	2.7
377.64041	2.4
393.35205	57.7
411.36249	100.0
412.36697	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	411.3622
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03926	2.0
55.05514	9.7
57.07062	3.9
65.03932	2.4
67.05501	21.8
69.07073	24.9
69.15892	21.2
79.05498	13.9
81.07055	54.0
83.04961	2.8
83.08634	10.3
91.05486	18.4
93.07050	39.7
95.08609	100.0
97.06500	2.4
97.10169	5.0
98.20704	4.2
104.31028	1.7
104.31771	2.5
105.07030	34.9
107.08593	59.3
109.10155	49.3
111.08083	6.1
117.07024	3.0
119.08585	54.8
121.10150	47.3
123.08064	2.3
123.11707	22.9
131.08580	7.5
133.10139	49.9
135.11702	35.1
137.13263	9.7
145.10120	13.5
147.11699	35.6
149.13257	34.0
151.11078	3.7
159.11710	19.0
161.13284	25.1
163.14833	44.4
163.16135	3.5
165.12732	3.7
165.16357	3.7
171.11691	3.8
173.13261	11.7
175.14830	52.2
177.16391	26.2
179.14304	10.8
185.13277	3.4
187.14828	14.1
189.16396	34.6
191.17953	28.8
193.15933	3.5
201.16405	12.4
203.17966	65.8
205.15875	2.6
205.19485	3.9
207.17447	10.3
213.16580	3.5
215.17973	21.3
217.19597	9.2
221.19048	5.7
227.17896	2.6
229.19624	7.9
231.21031	13.3
233.19110	6.7
241.19531	3.5
243.21150	7.0
247.20529	3.0
255.21147	2.8
257.22711	8.3
269.22720	6.3
271.23987	2.3
287.23743	3.0
351.30530	8.1
393.35138	38.3
411.36292	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3624
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03936	3.1
53.29919	1.8
54.18261	1.8
55.05506	13.9
57.07070	5.7
60.16196	2.3
61.88754	2.1
67.05182	2.5
67.05508	24.1
67.05841	3.3
69.07072	22.2
70.86314	4.8
70.86651	4.0
79.05490	15.9
81.07057	49.0
83.08620	9.4
91.05482	29.8
93.07046	39.5
95.04964	5.7
95.08611	84.8
95.59068	2.0
97.06532	3.2
97.10183	3.6
99.08096	3.1
105.07036	77.1
106.07351	13.2
107.08587	44.5
109.06520	5.3
109.10158	36.6
111.08071	3.4
117.07021	3.6
117.67838	2.0
119.08586	66.4
119.18759	2.0
120.08128	2.7
121.10139	43.5
122.09703	15.4
123.08057	3.4
123.09996	6.5
123.11726	13.6
131.08574	6.5
133.10141	42.2
135.11690	33.0
137.13280	6.8
138.09732	2.5
143.08519	2.7
145.10107	12.8
147.11700	36.1
149.13246	15.8
149.22079	2.1
157.10150	3.5
159.11708	12.3
161.13252	27.4
163.14807	25.6
163.74814	1.9
165.12747	14.8
166.13097	7.4
167.64709	2.2
171.11687	2.7
173.13268	9.1
175.14873	17.4
177.16351	16.4
179.14316	17.9
185.13245	2.4
187.14809	9.3
189.16393	100.0
191.17938	19.0
201.16374	9.1
203.17975	38.2
207.17418	6.0
207.45453	2.2
213.16490	2.5
215.17957	7.0
217.19495	8.6
229.19536	5.5
231.21124	6.9
233.19019	3.2
243.21013	5.7
255.21133	2.7
257.22577	4.1
259.24225	2.6
269.22787	3.7
271.24106	4.6
313.23779	3.2
393.35095	19.2
411.14301	4.8
411.26019	2.6
411.31012	16.4
411.36176	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03692	0.9
53.03943	1.8
55.01871	2.3
55.05519	4.9
55.11589	0.8
57.03439	34.2
59.05004	1.9
60.04522	1.3
61.02927	13.4
69.03436	47.4
69.07063	3.0
69.75552	4.9
71.01344	3.3
71.04996	6.2
73.02923	55.1
79.05486	1.7
79.66178	0.8
81.03426	8.4
82.14851	0.8
83.04977	1.2
83.08615	6.4
85.02911	100.0
87.00790	1.2
87.04469	18.2
91.03970	4.0
97.02898	58.9
97.06575	1.4
99.04475	4.2
99.08123	0.9
101.09653	2.3
105.01874	1.9
105.34030	0.8
107.08588	1.3
109.02884	8.7
111.08102	1.7
115.03938	55.3
123.08076	1.3
125.09624	1.1
127.03923	27.5
129.09120	2.2
129.12784	1.7
132.06540	1.2
133.04974	34.5
134.18250	0.9
135.08052	1.5
139.07539	2.3
141.09132	2.4
145.04968	37.8
145.71161	0.9
150.07626	6.5
151.07562	1.3
153.09113	0.9
156.81010	0.8
162.07570	1.0
163.06036	20.0
167.10687	2.5
169.08894	0.9
179.10579	1.1
180.08670	1.1
193.05247	0.9
197.11781	2.1
209.11703	2.9
211.06058	0.8
215.12700	1.4
223.06010	3.3
227.12863	2.5
241.07082	4.5
244.31021	0.8
245.13861	3.6
259.08185	4.8
263.14868	6.3
295.10233	4.2
367.23694	0.9
369.18481	1.0
373.74652	1.0
412.20120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69508	1.1
55.01851	1.4
56.96566	9.8
57.03446	2.2
58.41507	1.0
61.02935	2.5
67.05512	1.3
69.03419	5.1
70.06590	1.7
70.19263	3.9
70.19640	2.5
71.04980	1.4
72.08187	1.4
73.02892	2.4
76.88847	1.1
78.68455	1.1
78.99532	1.1
79.05483	3.8
81.03413	3.2
81.07066	1.6
84.96043	1.4
85.02908	12.5
91.05475	4.6
95.08665	1.3
97.02896	6.2
98.97588	26.1
100.98031	1.2
101.00893	12.0
105.07018	3.7
107.08565	1.2
109.02869	1.7
109.06509	3.3
110.97581	6.4
112.99098	2.6
116.98618	6.5
119.01923	15.1
119.04956	7.7
121.06509	3.3
123.04422	1.3
127.02399	2.3
127.03934	3.4
128.46332	1.1
128.98639	3.4
131.00168	3.2
131.01906	3.3
132.98128	1.2
133.03505	1.7
136.06219	6.7
137.05994	5.7
140.02338	1.3
141.44058	1.2
143.00188	2.7
143.01903	15.7
145.01733	1.4
145.03557	2.9
145.04948	2.9
146.99635	2.3
147.04410	7.7
155.01907	3.3
155.05576	2.1
157.03496	2.7
158.99634	6.7
161.01636	2.4
161.02983	13.1
161.04419	2.4
162.04057	2.6
163.03931	8.7
163.06039	4.1
164.04253	1.5
164.98607	2.7
165.05515	3.7
167.06985	2.1
169.01814	1.5
170.99620	2.7
171.05072	3.0
173.01338	2.8
173.02951	3.9
175.04030	2.3
177.00746	4.7
179.05550	1.8
181.03459	5.9
181.07092	4.0
182.99606	6.8
185.02885	2.4
185.04417	1.6
187.02766	2.0
189.00722	2.7
189.03999	6.5
189.05724	1.1
193.03494	1.8
193.05000	15.8
195.05009	4.9
197.01271	1.5
197.02974	1.3
197.06622	3.6
199.04526	5.2
199.08194	3.2
201.00688	6.5
203.02354	2.2
203.04024	5.0
203.05609	2.4
205.00072	1.5
205.03596	5.2
207.01796	1.5
207.05038	16.2
215.02235	1.4
219.01802	5.2
219.05099	1.7
221.04930	8.4
221.33299	1.2
223.04498	5.8
225.06073	6.4
231.05164	2.1
233.02942	6.2
233.06674	1.5
237.02849	3.7
237.06174	1.6
241.05675	2.6
243.07143	3.4
247.04477	4.3
249.06158	3.0
251.04041	11.6
257.03049	2.3
259.04617	1.8
265.05490	3.8
267.04333	1.8
267.07153	5.5
269.05203	2.8
275.04123	4.3
277.05487	1.8
279.03973	1.7
281.10001	3.5
283.07272	1.7
285.08307	2.5
293.05087	31.0
293.08475	1.8
303.07129	1.4
305.05255	1.8
307.06857	1.8
309.04855	1.6
309.08167	1.4
311.06131	100.0
312.06296	3.6
323.97144	1.5
325.07745	11.0
327.04074	4.9
329.07199	14.3
332.34131	1.4
334.07739	2.9
343.08685	3.0
351.09271	4.2
353.07297	39.0
369.05646	6.8
369.10318	4.3
371.08121	4.4
390.28418	1.4
395.08188	4.3
413.04761	43.9
413.10422	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	413.142
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.01880	0.5
56.05033	0.9
57.03434	0.4
57.40982	0.3
60.29181	0.3
62.70488	0.3
63.25376	0.3
69.03416	0.6
69.07040	0.4
70.06601	0.7
74.06080	2.2
79.05532	0.4
84.08167	0.6
85.02905	1.1
86.09719	0.7
91.05483	0.5
94.04048	0.4
95.04984	0.5
95.88422	0.4
97.02904	0.6
98.20732	0.7
102.05539	1.3
105.07028	0.5
107.04966	0.6
117.74486	0.3
119.03546	3.4
120.06586	8.6
136.06194	100.0
137.04581	1.1
137.05988	1.1
147.04442	0.6
162.04124	58.9
163.03854	0.9
164.07129	0.8
225.84737	0.3
230.33788	0.4
237.07709	0.3
263.08966	0.4
268.10495	0.8
281.09949	58.3
282.10162	0.6
304.50262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1809
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
53.03947	5.9
55.01868	6.4
55.05511	7.7
58.29832	3.9
65.03938	4.5
67.05518	32.7
68.29958	3.7
69.03443	32.2
69.07068	19.2
69.56380	25.1
71.05004	18.3
73.02922	10.4
79.05507	34.6
81.03435	24.9
81.07062	72.0
83.04993	32.9
84.65603	3.3
85.02930	15.5
85.06537	10.5
87.04475	4.8
91.05483	26.2
93.07048	35.8
95.04984	48.5
95.08647	4.7
97.02898	10.0
97.06537	31.3
99.04472	16.7
105.07040	60.8
107.04945	7.4
107.08611	28.2
109.02882	11.1
109.06527	66.4
111.04415	4.2
111.08117	4.5
113.06017	5.9
117.07038	16.4
119.04951	7.0
119.08607	23.8
121.06520	21.8
121.10162	13.3
123.04438	13.0
125.06007	38.2
127.03934	8.4
127.07585	12.6
128.06230	4.1
129.07008	6.1
130.07802	4.5
131.08591	28.5
133.06500	18.9
135.04411	3.9
135.08093	7.1
135.11691	10.1
137.05971	41.7
141.05518	5.5
143.07050	23.1
143.08575	11.9
144.09389	6.3
145.06490	7.4
145.10136	100.0
147.08084	8.2
147.11717	10.4
149.06073	4.6
149.09628	10.6
151.07578	11.2
153.05534	7.9
154.07762	4.2
155.08635	3.7
158.07259	8.1
159.08063	10.2
159.11699	35.6
161.09654	9.3
163.07611	6.0
163.11183	35.1
169.10193	13.1
173.09637	53.3
177.12794	6.9
187.11223	79.8
189.12689	5.7
191.10683	46.4
197.09669	6.3
205.12248	63.3
209.11746	40.6
215.10706	64.6
223.13356	9.9
233.11752	64.9
251.12805	74.9
269.13974	7.1
299.53925	3.8
335.15125	5.1
349.16544	4.4
377.15897	13.2
395.16888	17.0
413.17996	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1806
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
53.03937	6.7
55.01865	7.7
55.05514	4.8
57.03399	2.2
64.88067	1.9
67.05503	12.2
69.03154	2.4
69.03436	27.5
69.07067	17.5
69.87045	2.4
71.01370	2.2
71.04989	9.6
71.52560	3.3
73.02921	3.2
79.05500	19.6
81.03426	20.2
81.07050	25.5
83.04981	28.9
85.02925	17.3
85.06544	4.7
91.05488	25.4
93.06564	2.9
93.07046	28.4
95.04986	17.8
95.08597	6.8
97.02904	9.4
97.06525	28.8
99.04456	19.8
103.05486	3.7
105.07034	72.5
107.04951	6.7
107.08591	30.4
109.02886	11.2
109.06511	25.7
111.08092	3.8
117.07022	12.6
119.04930	10.6
119.08578	20.4
121.06519	24.7
121.10145	9.2
123.04424	2.7
125.05992	42.4
127.03944	13.0
127.07551	4.9
128.06201	4.8
129.07027	6.3
130.07777	6.9
131.04909	2.7
131.08565	22.8
133.06506	8.7
133.10124	17.0
135.08043	6.4
135.11662	6.1
137.05969	15.9
137.09627	5.4
139.07562	6.7
141.07016	3.7
142.07767	3.6
143.07036	16.8
143.08508	11.5
144.09354	6.1
145.06496	7.4
145.10126	100.0
147.04373	2.5
147.08081	5.0
147.11684	9.1
149.05913	3.0
149.09682	3.7
151.07550	15.2
154.07780	4.6
155.07079	2.5
155.08525	4.6
157.08653	3.7
157.10118	7.0
158.07272	9.3
159.08047	9.1
159.11697	39.9
161.09599	3.7
161.13280	2.6
163.11182	29.4
169.10112	10.3
170.13914	3.1
171.08002	3.5
171.11653	3.1
172.08801	3.9
173.09630	56.5
175.07513	2.4
177.12756	12.2
187.11194	84.4
189.09009	3.9
189.12750	6.5
191.10674	39.1
191.14290	4.3
197.09631	7.8
199.07602	3.2
205.12251	58.3
209.11745	18.0
215.10683	72.6
215.12743	3.6
223.13274	5.7
233.11745	49.3
251.12817	25.6
257.11923	2.6
393.54138	2.8
395.16864	10.1
413.17957	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	413.217
Annotation	Tinocordifolioside
Peak:m/z	Relative Intensity
53.03944	1.4
55.01870	1.9
55.05504	2.2
55.67930	1.3
57.03424	1.4
61.02914	2.5
67.05504	4.6
69.03433	8.4
69.07063	3.4
71.04981	2.0
71.52577	1.3
73.02921	1.0
79.05495	4.7
81.03417	3.3
81.07059	12.4
83.04994	2.6
85.02912	15.2
85.06540	4.2
88.76055	0.9
91.05472	5.1
93.07055	5.6
94.87704	1.0
95.04964	4.5
95.08605	5.9
97.02898	4.5
97.06538	24.1
99.04482	1.8
105.07040	8.7
107.04934	2.1
107.08595	9.0
109.02881	1.9
109.06536	8.6
109.10146	2.1
117.06982	1.7
119.04964	1.2
119.08586	7.7
121.06533	5.8
121.10141	4.4
123.04430	3.3
123.08049	2.0
123.11724	5.3
125.06007	14.7
127.03062	0.9
127.03915	4.2
127.07612	1.3
128.06169	0.9
129.07039	1.8
131.05025	1.1
131.08589	6.1
133.06512	1.7
133.10123	7.5
135.08069	8.2
135.11664	1.6
137.05971	2.5
137.09630	2.8
143.08575	1.5
145.04956	2.7
145.10123	10.1
147.04449	1.4
147.08023	1.2
147.11674	3.9
149.06012	1.0
149.09634	3.5
149.13245	2.1
151.07545	1.1
153.05505	1.1
153.09163	1.2
155.08574	1.1
157.10129	2.7
159.08093	3.0
159.11711	4.5
161.09624	2.3
161.13264	2.5
163.07562	1.9
163.11192	3.3
163.14809	3.3
167.08461	1.0
169.10121	2.2
171.11702	3.6
173.09607	5.4
173.13293	6.6
175.11183	4.9
175.14915	1.2
177.09059	2.0
177.12686	1.4
177.16472	1.0
182.10950	1.0
185.09822	1.1
187.11263	4.6
187.14862	2.6
189.12767	1.9
191.10658	1.5
191.14311	10.2
197.13290	2.3
203.14348	2.3
205.12286	3.5
205.15929	3.3
209.11804	1.3
215.10719	3.1
215.14323	7.2
228.05568	1.0
233.12012	5.1
233.15370	78.8
251.16435	100.0
309.18402	0.9
356.78879	0.9
413.07562	1.2
413.22256	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08939	4.1
69.48908	12.8
69.49332	18.5
82.06610	5.4
98.21526	4.4
121.06467	7.4
122.03660	8.1
137.05986	100.0
151.07553	21.6
177.09113	9.2
215.92653	4.5
244.96294	4.3
262.10114	5.8
284.10355	18.1
298.61090	4.9
305.11722	19.4
337.14233	24.9
355.15280	19.5
414.18869	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	414.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10037	0.7
53.03957	1.1
55.01864	1.4
55.05511	1.3
57.03441	28.1
57.07068	3.8
59.04755	0.9
59.05008	10.5
61.02935	10.1
67.05497	2.8
69.03434	21.7
70.51500	2.7
71.01346	2.2
71.04983	1.4
72.79126	0.9
73.02921	64.5
73.06516	0.7
81.03389	2.1
84.55041	0.8
85.02908	33.3
85.06547	26.0
87.04491	1.8
97.02897	35.8
99.04459	2.5
103.03896	0.8
103.07584	100.0
109.02845	2.4
115.03934	35.7
127.03909	12.2
133.04968	11.1
145.04974	13.1
147.04402	2.5
150.07677	0.9
153.58438	0.8
163.06050	4.7
166.05008	10.5
166.81950	0.8
199.09584	1.6
217.10583	1.0
223.05943	2.4
235.11647	2.7
241.07057	5.6
259.08075	3.1
265.12897	5.1
295.10150	4.3
295.17160	0.9
414.19498	1.1
415.15607	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79541	3.1
59.04987	3.2
63.78615	2.7
67.05505	12.8
69.07098	4.7
71.08646	6.3
71.51996	4.7
79.05489	9.3
81.07059	13.8
83.08629	3.0
91.05461	6.2
93.07055	13.5
95.08630	14.7
99.08085	9.7
105.07038	5.7
107.04990	4.0
107.08607	6.8
109.10139	3.4
115.78553	3.2
119.08603	14.7
121.10166	5.7
131.43787	3.0
133.10117	5.4
135.11719	7.9
136.12007	3.3
148.45226	2.7
151.11148	3.4
159.11652	3.4
161.13268	5.1
179.14304	21.3
207.63376	3.6
208.85016	2.7
219.04047	2.7
277.21719	16.7
351.25333	100.0
355.15005	3.1
414.34604	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	414.9536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27806	0.2
56.96568	6.3
59.95160	0.4
64.83664	0.2
64.99436	0.2
66.07433	0.2
69.41811	2.0
71.95267	2.0
73.92248	0.2
82.76940	0.3
98.19536	0.3
98.21495	0.5
98.97586	91.0
116.98624	30.8
120.61533	0.2
130.93333	0.5
134.99651	6.2
137.77412	0.2
140.00180	0.8
153.00661	0.4
154.93272	0.3
172.94365	4.9
180.92719	0.2
190.95384	2.7
197.95274	0.5
198.83975	0.2
208.96490	0.3
213.32738	0.3
214.95418	3.7
232.96452	6.3
241.94167	0.4
250.97539	1.7
256.96432	20.3
258.99698	0.4
260.00195	0.3
274.97513	100.0
275.97940	0.8
277.00845	0.6
292.98563	42.0
297.99091	1.9
316.00058	0.6
332.96326	0.4
414.95313	6.4
432.90866	0.4
432.96451	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	415.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43946	0.5
56.85820	0.5
56.96302	1.0
56.96567	15.0
61.02930	0.7
69.03430	1.2
69.52489	2.5
69.52937	1.2
71.95261	0.8
73.02938	0.7
84.96040	4.9
85.02901	2.2
97.02869	1.0
98.20762	0.8
98.97591	100.0
109.06528	0.6
110.97573	15.2
112.99151	1.4
116.98627	20.6
124.99131	2.2
126.97060	0.9
127.03915	0.5
128.98616	6.8
131.00204	1.6
134.99661	1.6
137.05983	1.8
140.98604	1.9
141.58505	0.5
143.00162	4.6
144.98085	1.4
145.05016	0.7
146.99664	2.2
152.98625	2.2
158.99664	32.3
161.01253	2.5
162.99178	0.8
170.99667	4.0
174.29593	0.5
175.00790	0.5
176.98526	1.0
176.99048	1.0
177.00719	14.2
177.02196	1.1
179.00191	0.6
181.01720	0.6
182.99753	0.7
187.04395	0.6
189.00749	1.8
193.01794	1.8
194.99690	1.7
196.04945	0.6
197.01382	0.7
201.00713	3.4
203.02209	0.5
206.99631	1.3
211.02806	5.5
213.00700	1.2
219.01778	19.6
223.02760	0.8
225.00702	3.1
227.02194	0.9
229.03885	5.4
229.55904	0.6
235.02800	8.1
237.02821	13.8
237.05168	0.9
241.03922	1.1
243.01826	2.2
251.02339	1.2
253.03874	13.1
265.03836	0.5
269.03528	0.8
271.04938	3.3
274.97586	2.2
277.03906	1.7
289.03894	0.8
292.98660	1.4
295.04974	3.2
307.04782	0.6
313.06253	0.6
336.09692	0.8
355.07007	37.7
356.07401	0.6
373.08087	54.9
374.08374	1.0
396.09628	0.9
415.09189	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	415.1006
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
55.20285	2.8
55.42215	2.6
56.96562	4.0
69.69761	16.0
69.70090	4.6
85.02867	4.7
98.21496	5.5
98.97593	28.5
100.04518	2.7
116.98588	8.2
158.94704	2.9
158.99661	12.2
164.05856	3.8
170.99646	3.0
177.00763	5.9
219.01741	6.0
224.66220	3.2
237.02821	6.6
254.09094	4.4
297.28113	3.1
355.06912	11.1
373.08023	14.1
415.10016	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	415.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
53.03942	1.1
53.68022	0.8
55.01854	0.8
55.05504	1.0
56.76120	0.8
57.03442	1.2
57.33574	0.7
59.04998	2.9
62.52606	0.9
65.03939	1.1
67.05506	1.4
69.03432	3.1
69.07049	1.4
70.06606	1.3
70.87183	2.2
72.08158	0.8
73.06563	6.2
74.06899	1.7
79.05515	2.2
79.89156	0.9
81.03441	2.1
81.07056	2.1
83.04980	2.5
85.02911	7.0
87.00845	0.9
91.05487	12.9
93.07040	2.0
95.01349	1.3
95.04958	1.2
95.08596	1.3
97.02914	2.2
97.06541	1.3
103.05508	0.9
105.07009	2.2
107.04991	1.7
107.08585	2.0
109.02875	1.8
113.02387	0.9
117.07011	1.7
119.04942	17.5
119.08588	3.0
121.06561	1.6
121.10175	1.7
127.03957	1.5
131.08591	1.0
133.10095	1.2
137.05971	1.6
141.01833	1.3
145.05031	0.9
147.04422	100.0
149.09657	1.6
149.11758	3.0
150.12102	3.2
159.08122	1.3
167.07060	2.7
168.01184	3.3
171.11653	1.1
177.09151	1.0
181.05022	3.8
187.11148	0.9
189.12749	1.0
195.30106	0.9
210.56804	0.9
217.12256	4.9
233.08162	1.3
235.13310	8.6
239.09167	1.2
323.07559	1.9
344.48651	0.9
427.12677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79020	0.5
59.05010	0.6
69.55477	3.8
70.06577	0.7
73.06565	0.8
85.02917	2.0
91.05476	7.6
95.01319	1.4
107.04967	0.7
113.02388	0.7
119.04951	18.2
127.03941	0.6
141.01855	2.3
147.04419	100.0
149.11743	1.0
165.05392	0.6
167.07014	0.7
181.04919	0.9
239.09111	1.4
289.84830	0.6
323.07565	2.1
415.16983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76152	0.3
59.04999	0.5
65.03933	1.0
67.05510	0.6
69.03426	0.8
69.07058	0.4
70.06587	0.9
71.51432	0.5
72.08154	1.2
73.02917	0.5
73.06551	0.7
79.05487	0.6
81.03416	0.6
81.07045	0.4
85.02905	2.5
87.99302	0.4
90.22951	0.4
91.05490	6.9
92.56516	0.4
93.07053	0.7
95.01340	1.4
97.02912	0.7
105.06998	0.9
107.04966	1.4
109.02849	0.6
109.10130	0.7
113.02358	0.6
119.04948	17.3
120.08176	0.4
121.06533	0.3
124.03934	0.4
127.03907	0.9
135.08124	0.4
137.05971	0.9
141.01825	1.9
147.04417	100.0
148.04788	1.2
149.09665	0.5
149.11719	0.9
150.12057	0.5
161.05930	0.7
164.07086	0.5
165.05521	0.4
167.07069	1.1
181.04950	1.7
217.08513	0.5
217.12256	0.4
233.08176	0.3
235.13351	0.6
239.09108	1.2
251.07478	0.4
253.00174	0.4
314.66986	0.4
323.07578	2.4
367.79083	0.4
371.07022	0.4
372.87311	0.3
375.76624	0.4
385.12897	0.7
395.48050	0.4
415.13715	0.5
415.18723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
54.66879	0.4
55.01865	2.9
57.03443	0.8
57.07051	0.4
61.01142	1.0
65.03947	1.1
67.05502	1.0
68.99773	0.7
69.03432	11.1
70.06583	0.6
70.76405	0.9
71.04945	0.4
72.04512	0.8
73.02917	0.7
77.75855	0.4
79.05501	2.1
81.03424	1.1
81.07071	3.2
83.04996	1.0
84.04518	0.4
85.02907	11.3
85.06522	0.5
86.09708	1.0
88.02228	1.2
89.36063	0.3
91.05479	5.8
93.07043	0.9
95.04964	1.7
97.02905	0.6
98.06043	0.7
99.05564	0.6
103.03963	0.4
103.05473	1.3
105.03368	0.7
105.07050	1.5
107.04956	70.9
108.05275	0.4
109.02931	0.6
109.06525	4.8
111.04458	0.8
113.06001	0.9
115.05424	0.7
119.04942	11.1
119.08614	0.7
121.06509	2.0
121.63703	0.4
123.04417	0.7
124.07587	0.7
127.03932	1.2
129.06972	0.7
131.04938	4.4
132.04739	1.2
133.06493	1.4
135.04456	0.7
137.05981	7.4
142.08604	1.9
143.08510	0.5
145.06583	0.7
147.04411	16.8
147.08080	0.5
148.45036	0.4
149.05989	4.8
153.05450	0.8
153.06989	0.6
155.07022	1.3
157.06497	0.8
159.04427	1.0
159.05904	1.0
159.08087	0.4
160.05087	0.9
161.05963	1.9
163.03966	0.9
165.05478	100.0
166.05783	0.5
167.06972	0.9
171.08064	0.5
173.06006	1.5
175.05194	0.7
175.07536	3.0
177.05473	4.2
181.06485	0.5
184.09706	1.1
185.06049	0.7
187.07579	0.6
189.05513	2.0
191.07071	0.9
195.06508	3.0
197.96718	0.4
199.07536	1.9
201.05479	1.1
203.07025	7.7
205.08600	1.4
207.06490	0.6
207.08270	0.6
215.07266	1.0
217.08603	2.3
219.06523	8.3
221.08099	2.6
225.09041	2.2
227.06987	1.9
233.08061	1.4
235.13286	0.9
237.05289	0.8
237.07579	10.9
245.08093	10.9
261.12656	3.8
263.09134	7.9
333.10986	0.5
352.70605	0.4
385.12732	1.0
387.14514	0.5
397.12781	0.8
415.13971	1.8
415.18945	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	415.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	3.3
55.01864	6.9
57.03459	3.6
61.02924	3.9
69.03439	20.6
69.47948	2.7
69.86095	12.3
70.06571	10.0
71.01342	3.3
71.04982	11.6
72.08135	6.8
73.02920	4.7
79.05492	7.7
79.83524	3.3
81.03399	16.9
81.04527	5.5
81.07060	15.3
85.02917	54.9
86.09688	8.2
89.05505	3.9
89.06034	71.4
91.05475	19.5
93.07074	3.3
95.01294	3.8
95.06082	12.1
97.02903	8.2
99.04436	3.4
103.03941	8.8
103.05462	4.1
105.07045	16.6
107.04941	15.5
109.02909	4.2
109.06506	15.8
111.05590	21.5
115.05437	4.8
116.07079	5.7
117.06989	5.9
118.06539	3.8
119.04935	22.3
121.06479	9.4
127.03896	9.2
128.06253	4.1
129.06973	9.8
131.04930	8.5
133.06490	16.2
135.04427	6.0
135.08063	3.2
137.03462	4.7
137.05977	58.0
145.06467	6.3
147.04425	84.1
147.08076	5.7
149.05956	9.2
151.07486	7.3
153.07048	3.6
157.04982	6.7
157.06442	6.4
160.05171	8.7
161.05991	58.2
164.07089	31.3
165.05486	100.0
167.06990	8.5
173.05991	23.7
173.09315	3.9
175.06003	26.4
175.07556	17.7
177.05563	6.8
179.07045	15.8
184.05141	3.7
185.05995	13.2
187.07541	8.4
189.05453	17.7
189.09120	6.5
191.07063	17.1
194.05627	4.2
195.06549	5.2
199.07530	13.2
201.05539	6.1
203.07074	62.9
205.08582	5.1
212.11760	6.9
215.06981	5.6
217.08606	10.4
219.08635	13.7
221.08072	13.7
227.07053	13.8
233.08105	9.5
245.08090	34.7
263.09216	33.3
281.10175	14.1
284.10327	8.5
313.10736	3.3
335.11334	5.7
353.12177	14.7
367.11859	18.0
385.12799	20.2
415.14450	5.3
415.19724	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.175
Annotation	Falconensin F
Peak:m/z	Relative Intensity
50.46965	0.6
50.77006	0.6
50.83655	0.6
53.25011	0.6
62.07741	0.6
67.05495	2.0
69.03415	1.4
69.07071	1.3
70.04054	0.9
70.04437	1.0
79.05482	1.8
81.07058	1.3
85.02900	1.0
91.05472	3.3
93.07059	3.2
95.08601	1.0
103.05460	1.7
105.07033	2.2
107.04956	1.7
107.08569	1.7
108.05710	3.6
109.02884	1.2
109.10185	1.0
109.78316	0.6
111.08023	0.7
115.05457	1.6
117.07023	1.7
119.04936	7.2
119.08546	0.8
121.06511	2.1
121.10136	1.2
123.11745	0.9
131.04921	2.7
133.06494	2.2
133.10141	0.7
136.05197	6.0
137.05962	2.6
145.06480	3.8
146.07254	4.9
147.04414	13.2
147.08081	1.4
147.11543	0.7
149.13292	4.2
151.07547	100.0
152.07887	1.0
159.08144	0.7
160.05212	1.6
161.05988	3.1
162.06801	1.6
163.07501	3.1
165.05641	0.8
165.09135	1.3
167.07050	1.3
174.06769	1.2
175.07544	8.4
176.08400	1.0
177.05484	2.5
177.09132	12.3
179.07045	15.7
181.04924	1.1
187.07619	2.5
189.09114	12.8
191.07040	2.6
191.10660	1.1
193.08682	0.9
195.06563	0.9
199.41820	0.7
201.09117	1.1
203.07008	1.8
203.10699	1.5
205.08609	1.8
211.16898	1.3
213.09286	0.8
217.08569	0.7
219.06659	1.0
219.10228	1.8
237.11221	4.1
253.11197	1.9
261.08951	0.7
287.10858	0.6
291.13705	0.7
303.10355	0.7
305.11743	1.0
315.10263	0.7
319.13159	1.4
321.11221	1.0
329.12149	0.7
334.12125	0.9
337.14471	0.8
347.13004	1.8
349.14359	1.6
351.15930	4.1
361.14420	1.6
365.13837	1.4
367.50238	0.6
369.16980	4.3
379.15430	6.7
379.19870	1.0
397.16495	4.6
415.17337	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	415.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	3.7
53.03943	8.3
55.01870	5.3
55.05507	5.8
57.03443	3.6
61.63851	3.6
66.20179	3.4
67.05510	18.3
69.03418	13.8
69.07079	18.4
69.63450	7.8
69.63857	15.4
71.05000	7.0
79.05492	23.2
81.03412	13.7
81.07058	31.7
83.04970	9.2
83.08584	3.5
85.02882	10.4
85.06509	4.3
86.06071	6.4
86.09708	100.0
91.05504	20.0
93.07054	30.4
95.04967	14.7
95.07241	3.4
95.08591	19.5
97.02880	9.1
97.06526	13.9
98.20766	6.8
98.97589	3.6
99.04429	10.7
105.06536	3.3
105.07053	38.6
107.04948	15.8
107.08603	29.6
109.02885	8.6
109.06520	20.6
109.10159	16.2
111.08079	5.6
114.05527	8.5
117.07001	5.8
119.04942	3.3
119.08582	18.1
121.06468	26.2
121.10146	13.0
123.08080	17.8
123.11720	12.5
125.05952	5.0
127.03909	11.7
127.07543	6.4
129.06989	5.5
131.08563	12.4
133.10100	12.5
135.08061	13.5
137.05994	7.5
139.07530	9.4
141.07025	4.3
143.07042	6.7
143.08546	5.0
143.11777	13.2
145.05009	3.7
145.06477	4.6
145.10115	13.6
147.08047	8.6
147.11685	79.4
149.09599	13.7
149.13242	12.6
151.07561	7.4
157.08650	6.8
157.10162	8.6
159.11650	4.2
161.09602	5.1
161.13269	5.4
163.07550	4.1
165.12759	59.8
167.07013	17.7
171.11642	8.6
173.09503	3.7
173.13307	4.4
175.07458	3.8
175.11169	9.9
177.12845	4.6
181.04939	12.1
183.13737	7.7
187.11201	3.3
189.12717	12.7
191.14316	9.8
193.12247	31.5
195.11673	4.0
199.11162	7.0
207.13818	10.1
209.15388	12.0
217.12250	13.9
229.14334	35.6
235.13269	38.8
235.16862	4.3
253.14352	53.0
256.16498	16.4
284.16071	7.4
295.15326	6.9
343.15237	6.4
361.16336	7.6
376.06824	3.4
379.17459	8.0
387.14285	5.9
397.18445	9.8
415.22882	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	415.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.01885	5.4
55.05519	6.8
57.07076	4.5
57.29008	4.1
67.05502	17.2
69.03442	17.4
69.07062	16.0
70.72931	14.9
73.51910	4.8
74.98168	5.1
79.05493	13.4
79.18266	4.5
80.33586	4.7
81.03414	15.0
81.07056	49.8
83.05004	13.2
85.02905	9.3
85.06573	9.6
88.27264	4.6
91.05488	25.1
93.07039	37.8
94.95932	5.2
95.04967	15.0
95.08610	21.0
97.02900	16.1
97.06544	22.9
99.04466	16.4
105.07048	53.6
107.08601	42.2
109.02943	10.5
109.06503	37.9
109.10165	17.6
111.08102	8.9
112.13382	5.3
113.29691	5.4
117.07007	5.7
119.08586	33.3
121.06529	23.8
121.10178	14.4
121.65737	4.6
123.08068	27.0
123.11720	19.5
125.06031	6.9
127.03914	9.7
127.07584	7.8
129.07027	5.8
131.08594	15.4
133.06490	9.2
133.10123	12.3
135.08067	14.9
137.05989	11.1
137.09613	7.3
139.07564	14.7
143.08565	14.5
145.10120	11.7
147.08121	8.6
147.11685	100.0
149.13255	19.8
151.07571	19.7
157.08676	10.2
157.10152	12.6
161.09560	7.5
161.13295	8.1
163.07521	9.7
165.12764	88.9
167.62230	5.5
169.08623	10.2
171.08072	5.6
171.11699	7.6
173.09782	7.4
173.13275	8.1
175.07475	5.9
175.11208	22.8
183.13867	8.7
185.13321	6.0
189.08995	6.2
189.12868	12.7
191.14389	10.4
193.12267	51.8
195.11787	7.8
199.11243	12.6
207.13783	8.7
209.15388	18.0
213.12755	9.0
215.10706	8.3
217.12288	31.1
223.13139	7.3
229.14336	40.4
235.13257	46.5
243.60971	5.2
253.14374	60.8
259.13318	7.4
277.14291	7.3
295.15424	7.2
301.14304	7.2
324.28983	5.7
361.16571	10.7
373.57678	5.1
379.17673	20.1
397.18518	13.7
415.18469	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	415.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.6
55.01874	9.6
55.05506	14.5
64.84023	5.0
67.05497	20.6
69.03425	20.6
69.07066	18.8
70.70789	15.6
71.05003	10.0
79.05486	23.3
79.82207	5.4
81.03407	20.7
81.07071	53.8
83.04967	17.4
85.02899	21.5
85.06535	9.8
91.05495	28.2
93.07055	41.2
95.04965	8.5
95.08643	29.1
97.02891	22.5
97.06525	21.2
97.10201	7.7
99.04456	16.7
105.06521	5.2
105.07054	55.1
107.04959	14.4
107.08611	44.7
109.02893	8.2
109.06532	37.6
109.10181	24.9
111.08089	9.0
117.07040	6.9
119.08598	34.4
121.06533	28.0
121.10149	15.3
123.04484	5.4
123.08069	20.7
123.11707	20.8
125.06040	9.7
127.03938	17.1
127.07561	12.8
131.08557	20.5
131.95940	6.9
133.10141	15.0
135.08049	21.9
135.11708	8.6
137.05998	11.0
137.09644	16.3
139.07549	13.9
143.08551	12.3
145.06520	6.9
145.10126	19.9
147.08148	12.0
147.11725	100.0
149.13261	17.1
151.07524	16.4
152.72345	5.1
157.08635	8.1
157.10121	14.1
159.07948	7.7
159.11649	8.2
161.05920	5.3
161.13309	7.4
163.07603	5.7
163.14934	6.9
165.12758	77.0
169.08604	12.7
169.10037	8.3
171.11685	15.3
173.09660	8.1
173.13190	9.3
175.07597	5.4
175.11160	14.6
177.09151	6.9
181.04985	6.1
183.13802	7.3
185.13228	7.9
186.94238	5.3
187.07492	6.9
187.11195	6.7
189.12836	17.5
191.10715	5.7
191.14287	13.8
193.12280	43.2
199.11197	8.4
201.12729	7.9
207.13762	14.6
209.15381	12.2
211.16927	9.6
213.12822	7.3
215.10835	5.6
217.12309	27.3
229.14423	25.7
235.09636	8.2
235.13322	58.6
241.12465	6.2
247.09651	6.1
247.13223	6.5
253.14362	56.0
259.13324	12.8
265.10886	6.0
265.14511	6.3
295.15439	14.7
297.14850	6.4
309.20477	5.4
319.15491	8.1
325.53491	5.2
343.15466	7.0
361.16479	14.3
379.17624	25.2
397.18231	20.6
415.18634	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58660	6.2
71.19142	11.7
71.19489	6.4
80.58219	5.6
107.04929	5.6
127.25934	6.6
137.05986	22.6
151.07552	100.0
158.15878	6.5
159.15414	7.1
159.70541	6.3
168.77711	6.1
176.08353	20.0
177.09140	8.4
189.09070	11.4
203.10735	15.6
219.10159	29.6
247.07487	7.3
247.09628	40.0
322.12112	7.7
353.13797	29.2
371.14914	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	416.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50370	1.6
64.81487	1.8
67.05474	2.0
69.03439	4.0
71.51854	2.2
73.36308	2.2
81.07052	6.5
91.05482	5.2
93.07072	3.2
96.08955	1.9
97.06538	2.5
98.47252	1.9
105.07033	5.3
107.04963	3.0
107.08591	13.9
109.02869	2.4
109.06532	4.6
109.10162	6.9
115.05475	2.4
121.10164	10.4
124.38835	1.9
127.03872	2.7
133.10147	100.0
135.08066	9.6
137.09631	47.9
147.04399	5.1
147.11665	2.0
149.13249	9.5
150.09146	4.3
157.30652	1.9
167.07037	13.1
173.13252	6.3
181.04991	14.0
182.05255	2.1
191.14320	65.5
206.08195	5.6
209.15395	38.1
235.09599	2.5
253.14427	4.8
254.14738	7.5
330.66168	2.0
385.12643	3.0
387.14328	2.0
416.20517	12.1
417.09753	1.9
417.15219	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	417.1547
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.21041	0.3
51.96811	0.4
53.03932	1.0
55.01864	1.1
55.05489	0.6
65.03649	0.4
65.03943	3.4
66.04716	0.5
67.05508	1.8
69.03418	1.3
69.07057	0.5
69.72476	1.9
71.04998	0.5
77.03880	0.4
78.04716	2.8
79.05499	4.9
81.03397	1.0
81.07049	2.0
82.04194	1.0
83.04964	0.8
84.08153	0.5
85.02906	2.4
85.06509	0.4
91.05489	2.4
93.03397	0.8
93.07036	0.9
94.04211	0.3
95.04994	1.9
95.08597	1.5
96.05722	0.5
97.02909	0.5
97.06534	0.6
102.04677	0.5
103.05477	6.1
105.03352	0.4
105.04515	0.7
105.07047	1.6
106.04176	1.9
107.04958	6.7
107.08582	0.5
108.02094	0.6
109.06510	0.6
109.10172	0.7
110.03677	1.9
111.04443	0.7
115.05460	4.0
117.07021	5.9
118.04157	1.4
119.04949	0.8
119.08552	0.8
121.06465	0.6
121.10131	0.8
122.03637	0.6
123.04435	6.8
123.11736	0.5
124.05217	2.8
125.06000	1.4
127.03960	0.7
127.05424	1.0
128.06184	0.4
129.07013	0.6
130.04138	0.7
131.04947	4.1
133.02856	0.6
133.06485	1.5
133.10106	1.1
134.03612	0.9
135.04443	0.6
135.11723	0.5
137.05984	1.3
138.03117	1.1
142.02608	1.4
143.10704	0.4
144.05721	0.6
145.06490	8.3
147.04372	0.4
147.07996	0.4
148.05199	2.9
151.03876	1.6
151.07541	0.6
151.11206	0.4
152.04686	3.1
153.05458	1.4
155.06024	3.1
159.04317	0.5
159.08142	0.5
161.05986	0.6
163.07571	4.1
163.11218	0.3
165.05556	0.3
167.07042	100.0
168.07376	0.9
169.12271	0.4
171.06506	1.4
172.74425	0.3
173.05994	13.7
175.07570	1.0
177.16428	0.8
181.04962	45.0
182.05275	0.7
182.26180	0.3
187.03946	0.4
187.07617	0.5
190.06229	0.4
191.07039	14.5
193.08604	0.8
195.06543	1.5
201.05446	1.1
201.16396	0.4
205.08592	2.7
207.06531	0.5
207.10158	0.5
209.08078	0.6
217.08702	1.0
219.10092	0.8
219.17447	0.7
229.77702	0.4
233.08112	7.2
235.09601	3.4
239.52579	0.3
245.08144	0.6
253.99344	0.4
263.09283	1.7
297.11057	0.3
307.09628	0.5
325.10870	0.4
329.10141	0.8
357.13519	0.5
360.61243	0.3
367.11740	0.4
371.15030	0.6
381.13037	0.5
385.12851	0.6
387.14410	12.5
399.14438	2.4
417.15488	32.7
418.15796	0.8
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
51.57745	0.6
53.03935	1.2
55.01864	1.2
56.35913	0.8
65.03938	2.1
67.05489	1.7
69.03422	1.0
69.62737	3.1
69.63134	1.3
77.03925	0.7
78.04716	2.3
79.05497	3.9
79.18285	0.5
79.18874	0.5
81.03427	0.7
81.07047	0.7
82.04168	1.4
85.02894	2.2
86.05499	0.7
91.05484	1.6
93.03394	0.9
95.04980	1.5
97.06522	1.1
99.41123	0.7
102.04702	0.7
103.05480	6.0
105.04528	0.7
105.07041	1.0
106.04160	1.5
107.04966	7.9
108.02081	0.6
110.03694	1.3
115.05451	3.5
117.07041	6.1
118.04153	1.7
119.04953	1.0
119.08569	0.7
121.06569	0.7
123.04448	6.3
124.05215	2.4
125.06039	1.0
128.06201	0.6
131.04948	5.9
132.05655	0.9
133.02861	1.3
133.06436	0.9
137.05948	0.6
142.02658	1.4
145.06514	8.7
147.08046	0.8
148.05232	4.2
149.02542	0.6
151.03909	1.4
152.04695	2.4
153.05437	1.4
155.06082	3.8
157.06549	0.9
161.05971	1.1
163.07565	6.1
167.07054	100.0
171.06512	1.5
173.06000	16.1
175.07619	0.9
176.04715	1.4
177.03633	0.6
181.04976	54.2
182.05293	1.1
187.07535	0.7
190.06273	0.7
191.07039	19.6
193.08629	1.1
195.06529	1.0
201.05338	0.8
205.08572	3.0
217.08536	1.1
219.08215	0.8
219.10271	1.6
233.08112	7.0
235.09734	3.7
263.09216	2.2
283.24234	0.7
318.27747	0.7
329.10315	1.1
357.13452	0.8
381.13351	1.2
385.13028	0.9
387.14465	13.2
399.14441	2.5
417.15512	35.3
418.15842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96186	1.4
53.03947	8.8
55.05508	9.2
56.92023	1.4
57.03432	2.9
57.07067	4.0
61.02914	4.5
65.03931	5.4
67.05506	18.7
68.99780	5.3
69.03434	11.1
69.07056	5.1
71.04995	11.4
71.52322	2.8
73.53058	1.4
76.57710	1.4
78.04707	2.0
79.05489	12.7
81.03427	22.9
81.07060	100.0
83.08603	2.6
85.02907	16.4
85.06535	4.8
87.00839	7.4
89.06010	2.2
91.05477	4.2
93.07059	11.7
95.04958	6.0
95.08605	19.5
97.02905	14.2
97.06535	1.9
97.10167	9.1
99.04446	5.8
99.08057	2.5
103.05489	5.6
104.33157	1.5
105.07027	6.4
106.00745	1.5
107.04946	7.1
107.08572	5.3
109.02887	20.7
109.06524	3.8
109.10155	3.4
110.03699	1.8
111.08087	4.6
113.05949	1.7
115.05436	2.4
117.07014	5.4
121.10128	3.7
123.04443	5.6
123.11710	69.2
124.05229	2.4
127.03928	30.7
129.01845	5.0
131.04912	4.3
133.06531	2.5
133.10092	4.7
141.12724	3.1
145.06477	6.5
147.02890	3.1
148.05209	3.5
151.03912	1.7
151.11185	15.0
152.04698	2.6
155.06085	3.0
163.07553	4.0
167.07056	98.7
169.12250	24.4
173.05984	13.3
181.04964	37.3
187.13301	7.9
191.07030	14.4
195.02930	1.8
205.08566	4.2
213.03970	5.1
216.22426	1.5
231.05069	4.4
233.08112	6.5
235.09586	3.4
341.10315	1.8
372.91855	1.7
387.14365	10.8
417.15353	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	417.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01870	1.0
55.05515	9.6
56.05042	0.8
57.03112	0.6
61.02928	0.8
65.90500	0.7
66.53246	0.7
67.05506	2.0
69.03438	4.3
69.07072	2.2
70.02939	0.9
70.06596	1.9
71.05004	1.0
71.52030	0.7
72.08159	100.0
73.02924	2.0
79.05498	2.0
79.22880	0.6
81.03431	2.7
81.07062	3.1
83.04996	3.1
84.08154	1.1
85.02904	4.9
85.06570	1.5
86.09711	45.4
88.03997	6.8
91.05503	3.3
93.07062	3.0
93.22395	0.8
95.04957	1.9
95.08615	1.3
96.08184	1.4
97.02912	2.8
97.06532	2.1
98.02444	2.7
99.04507	1.0
100.03972	2.3
103.05475	1.1
105.07034	1.2
107.04969	8.5
107.08613	3.1
109.02923	1.9
109.10193	1.2
111.04494	1.0
111.08056	1.0
113.10769	1.9
114.09134	0.9
117.07066	0.9
119.04965	2.4
119.08636	1.0
121.06531	3.6
121.10162	1.3
123.04476	0.9
123.08111	2.8
124.04008	1.0
127.03923	3.4
131.08594	1.3
133.10178	1.1
135.04451	1.1
135.08092	3.1
137.06029	1.7
137.09583	4.5
138.09212	3.2
139.07634	0.8
140.08002	0.9
141.10242	7.2
142.08652	1.4
145.06519	1.6
147.04439	4.4
149.06029	1.4
149.09610	1.8
151.11234	1.2
151.72096	0.7
153.09132	1.9
155.08461	0.9
155.11841	1.2
156.10204	7.3
159.08157	0.8
162.07712	1.0
163.03900	1.3
164.07043	1.3
165.05615	1.0
167.07051	11.1
170.11902	0.9
173.06058	1.7
173.13278	1.3
175.07645	1.2
177.12810	1.0
181.04968	1.5
181.06506	1.4
183.08101	1.2
183.11267	5.1
184.09764	2.5
189.12358	31.0
190.12358	0.8
191.08594	0.8
191.14380	1.1
193.05115	1.2
196.08842	1.2
197.09660	4.4
201.12358	66.1
206.98898	0.7
209.09622	4.6
211.06088	2.4
211.11270	2.6
215.10648	1.0
219.13805	16.2
225.09113	0.8
227.10683	17.9
229.11855	51.8
230.12280	0.9
233.08119	1.4
237.14818	4.9
245.11766	4.3
255.16129	1.5
283.16721	3.2
285.11340	0.8
328.18680	9.2
387.14322	1.0
399.14322	1.5
417.15521	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	417.271
Annotation	Ala-Leu-Leu-Thr
Peak:m/z	Relative Intensity
55.66936	0.2
57.03447	0.4
66.85548	0.3
67.05500	0.6
69.03438	1.3
69.07074	5.6
70.06594	2.8
71.04984	0.3
71.33467	0.2
71.52122	0.3
71.55219	0.3
72.08159	0.8
74.06063	0.6
79.05479	0.5
79.33074	0.3
81.03427	0.8
81.07058	0.8
82.06599	0.3
84.04527	0.3
85.02920	1.6
86.09711	100.0
87.10056	0.5
91.05470	0.6
93.07034	0.6
95.04971	0.3
95.08629	0.5
96.64497	0.3
97.02892	1.2
99.04461	0.4
102.05557	0.3
105.07083	0.3
107.08633	0.4
108.56065	0.2
109.02859	0.7
109.10216	0.4
115.03935	0.3
119.04955	0.4
119.08569	0.8
119.39011	0.3
120.06587	1.0
121.06564	0.5
121.10184	0.4
123.04427	0.4
123.11730	0.3
124.04005	0.3
127.03937	1.0
131.08594	0.4
131.11804	0.3
132.31563	0.3
133.10136	0.5
135.08075	0.3
137.06013	0.8
145.04970	0.6
147.04463	0.5
149.09605	0.5
151.11234	0.4
157.13370	17.3
158.13663	0.3
159.11665	0.3
161.09671	0.4
167.07024	1.8
168.01192	1.1
169.01447	0.5
171.10190	0.5
173.06030	0.4
185.12866	17.6
189.12509	0.6
191.14355	0.8
199.18106	0.7
201.05348	0.3
201.12527	0.8
211.05975	0.4
215.13898	3.1
219.13849	2.0
227.17596	0.7
229.11938	0.3
229.15538	0.7
233.14980	14.8
237.14836	2.2
253.19153	2.4
255.16037	1.5
298.21225	4.8
308.85529	0.3
399.26135	1.3
409.02167	0.3
417.16046	0.5
417.21240	0.6
417.27017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3365
Annotation	CHEBI:86115
Peak:m/z	Relative Intensity
55.01873	0.7
55.05501	2.1
57.07065	0.9
67.05505	6.1
69.07073	4.1
71.04980	1.7
71.52671	0.7
79.05496	3.3
81.07061	8.3
83.04984	0.9
83.08617	1.9
85.06561	2.8
91.05468	2.6
93.07053	8.8
94.57343	0.6
95.04967	4.0
95.08617	14.6
97.06514	0.7
97.10156	0.9
99.08129	0.6
105.07031	9.7
107.08601	12.4
109.06523	12.8
109.10167	8.9
111.08040	1.0
113.06014	24.2
113.06806	1.3
119.08588	10.4
121.10149	10.7
123.08095	5.5
123.11710	4.8
129.07043	0.7
131.08560	2.1
133.10136	5.8
135.11703	11.8
137.09595	1.6
137.13266	1.2
141.09099	3.9
145.10106	2.2
147.11694	5.2
149.13261	4.7
153.62657	0.5
157.10179	1.1
159.11699	3.7
161.13274	4.8
163.14792	2.7
169.12238	8.3
171.11639	1.2
173.13283	3.4
175.14853	2.5
177.12720	1.4
177.16342	1.2
185.13312	1.2
187.14775	1.8
189.12752	0.9
189.16374	3.6
191.14297	1.4
191.17953	8.3
195.13947	0.6
197.13258	0.6
199.14873	1.1
201.16406	2.0
203.17998	1.7
205.16049	0.8
207.17342	0.7
213.16498	0.9
215.17967	0.8
217.19487	1.5
227.18036	1.1
231.21049	1.1
255.21144	0.6
267.21008	0.7
268.08505	0.6
271.24234	2.6
309.25864	2.6
327.26843	0.6
363.30209	0.7
381.31400	3.8
399.32562	6.1
417.33646	100.0
418.34030	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	418.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00928	1.2
52.73037	1.1
60.04537	16.0
69.07047	1.1
69.31954	10.5
79.05505	2.3
81.07074	1.3
91.05467	3.0
92.47570	1.2
93.07053	4.4
94.04189	1.4
95.08622	1.6
103.05500	2.9
105.07024	1.6
107.04986	1.7
107.08614	3.6
110.23708	1.3
122.03660	4.6
127.03931	1.3
129.06964	1.5
131.04932	13.3
135.11673	2.8
137.05994	100.0
145.06506	2.5
149.05986	1.8
151.03908	1.4
151.07611	1.3
163.07547	6.8
165.05470	3.0
167.07066	17.9
168.07407	11.5
173.06024	2.6
174.06305	1.6
175.07504	1.3
177.05461	1.4
179.07108	1.7
181.04930	5.7
182.05341	3.5
189.09085	1.3
206.08925	1.4
215.00064	1.9
223.09724	2.7
231.08127	2.5
232.08949	1.2
233.17268	1.2
263.10773	3.7
291.10065	4.6
306.50687	1.4
323.12799	9.0
341.13889	25.8
359.14905	7.5
388.14682	3.4
403.59760	1.4
418.07184	3.7
418.15695	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	418.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	1.1
57.60971	0.4
61.02919	0.7
69.03430	1.8
70.25900	0.8
70.26257	1.1
73.02933	0.5
73.06573	0.6
79.05495	1.4
81.03411	1.3
85.02916	4.4
87.04478	0.6
89.50519	0.4
91.05488	0.9
93.07061	1.9
96.37363	0.4
97.02897	1.5
98.20802	0.4
98.97575	2.6
103.05477	6.3
105.92590	0.4
106.02895	0.6
107.04971	1.5
110.97582	0.6
112.99097	0.4
118.41806	0.4
120.08119	100.0
121.06533	0.5
121.08451	1.1
124.03962	5.0
127.03934	1.3
128.98523	0.5
131.04987	2.4
135.04445	0.6
137.05984	0.7
140.10190	0.4
145.04994	1.0
149.06001	1.7
158.99568	0.4
165.05533	0.4
166.08661	51.8
177.00711	0.4
197.08157	0.6
201.00803	0.4
210.09120	0.7
219.01823	0.9
237.02890	1.2
251.22188	0.5
256.09665	4.0
260.07324	1.0
261.04987	0.4
264.07669	0.7
286.09326	2.3
322.60822	0.5
342.59546	0.5
418.15247	2.0
418.20636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37797	56.2
57.20700	54.3
71.52073	100.0
91.03838	62.0
99.61872	60.3
119.08654	59.7
167.07031	84.1
411.89557	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28951	82.5
66.91857	81.2
71.18272	100.0
71.18597	89.9
71.88416	80.0
74.33978	76.6
84.73365	66.6
90.45294	68.7
132.09497	74.7
181.05127	84.2
281.32925	92.8
334.53391	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01868	4.8
69.03420	8.9
71.06917	2.2
71.52977	3.7
79.05474	10.7
81.03421	6.4
81.07054	4.7
85.02916	20.2
87.00843	5.9
91.05464	8.2
93.07064	14.6
95.08618	11.6
97.02874	9.0
103.05450	3.9
105.01870	12.7
105.06998	4.7
107.04954	12.4
107.08597	20.3
109.02905	4.3
115.05414	3.7
123.04436	4.8
123.11708	3.8
124.05168	3.3
127.03948	13.5
129.06982	2.5
131.04909	4.0
131.08563	5.9
135.11693	17.1
144.05711	4.4
145.04965	6.8
145.06509	4.0
148.05193	3.0
153.12727	5.0
155.08656	2.6
156.05704	4.0
158.07217	2.8
159.08051	8.1
163.07503	4.2
167.07048	59.1
173.05994	4.8
175.07478	3.0
181.05029	11.1
181.08551	4.0
183.06557	6.0
187.07550	5.6
191.07028	16.1
201.17805	2.2
202.06306	2.8
204.07948	2.4
205.08601	11.1
208.05223	15.0
209.08018	4.6
217.08562	13.3
219.08080	3.6
219.10091	4.4
221.05965	3.2
221.08122	2.4
229.09033	2.3
236.04669	6.6
236.07985	2.3
247.07426	4.7
247.09712	9.3
248.08353	5.3
249.11287	3.4
254.05734	7.6
263.10535	2.4
268.03650	3.1
269.08163	20.5
271.09680	3.1
272.06766	3.7
275.07141	4.6
282.05283	4.1
282.08893	5.3
291.10083	5.5
299.09146	3.0
300.06110	3.6
310.08301	3.1
315.08655	78.5
319.09726	4.0
323.12726	5.8
328.09259	3.6
330.10965	100.0
331.11420	4.1
339.12119	3.4
343.11673	9.1
351.12280	9.8
369.12939	2.9
370.71744	2.6
383.14777	15.5
401.16074	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	419.1703
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
53.03930	4.2
55.01876	38.0
55.05505	2.8
57.03440	1.9
64.52444	1.1
65.03947	11.3
67.05502	7.5
69.03422	4.1
69.07064	2.7
69.26283	5.2
69.26707	5.7
79.05502	10.6
81.03426	2.5
81.07054	5.1
82.04175	2.7
83.04982	1.6
85.02920	9.9
89.03915	1.7
91.05490	12.0
93.03383	2.7
93.07031	4.8
95.04963	5.3
95.08590	6.1
97.02905	1.9
97.06525	5.1
101.13992	1.5
103.05473	24.3
105.07046	16.9
106.04144	1.6
107.04961	14.4
107.08575	3.3
108.02089	2.5
109.02877	2.1
109.06558	2.0
110.03656	6.5
111.04438	3.6
111.10246	1.3
115.05469	6.5
116.06264	1.9
117.03384	1.5
117.07014	2.0
118.04157	5.9
119.04864	1.9
119.08588	5.7
121.06509	8.8
121.10143	2.6
123.04408	9.5
123.11709	1.6
124.05218	3.5
124.14334	1.4
125.05975	5.2
127.03925	3.3
128.06142	2.2
129.06969	4.3
130.04178	2.8
131.04947	22.4
131.08565	5.8
133.02844	2.8
133.06505	11.6
133.10147	2.5
135.08003	2.8
135.11732	1.6
137.05966	4.1
138.03096	3.8
140.04716	1.8
141.06967	2.0
142.02614	3.7
143.08585	2.8
144.05716	5.4
145.06525	3.0
145.10063	3.0
148.05212	15.0
149.06000	15.8
151.07500	1.5
153.05432	4.6
153.12775	1.8
157.06505	1.3
159.04401	1.9
159.08081	6.5
161.05980	16.2
161.09651	1.6
163.03900	1.8
163.07570	19.5
167.07051	70.0
168.07335	2.2
169.07561	1.6
170.07309	1.9
171.06575	2.9
171.07915	1.6
173.05963	5.2
175.07562	4.2
176.04729	1.9
177.05479	39.6
179.07040	1.3
181.04967	100.0
181.08484	3.8
183.06538	6.3
187.07593	9.3
189.09023	1.7
191.07043	94.0
192.07671	2.2
193.08662	6.9
201.05502	1.8
203.07036	1.7
205.08611	9.1
207.10103	2.0
209.08099	80.3
217.08629	4.0
219.08096	3.2
219.10172	6.7
221.08128	3.4
235.09654	4.5
247.07437	2.2
247.09601	6.4
247.68066	1.5
249.11354	11.7
264.07819	2.5
265.10754	8.2
279.10208	1.7
293.07901	1.7
307.09460	3.4
315.08618	3.2
323.12723	1.7
330.11014	2.0
351.12265	2.2
369.13550	6.4
383.14838	5.2
389.15747	1.7
401.15970	13.6
401.23123	2.5
419.17145	15.5
419.24261	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01859	3.7
57.07060	5.1
59.29302	3.3
69.03427	5.6
69.33933	21.3
71.04977	3.2
79.05476	13.1
81.03413	10.3
81.07058	7.5
85.02892	15.6
86.09671	3.3
87.00797	5.5
91.05510	8.5
93.07030	5.1
95.08614	4.2
97.02875	5.6
97.06528	4.3
98.20706	6.4
105.01859	3.5
105.07042	5.4
107.04967	17.0
107.08517	3.6
109.02895	6.1
115.05462	5.8
117.07047	3.5
121.06511	3.6
123.04437	4.1
124.05238	3.4
125.91539	2.8
127.03930	7.5
129.07034	4.7
131.08537	5.6
133.06525	4.7
135.11708	6.9
137.05954	5.7
143.08572	4.1
144.05745	3.8
145.06458	5.2
151.03912	3.8
153.05424	3.3
153.12683	17.4
155.14188	3.4
156.05649	4.1
159.08078	12.7
161.05936	4.1
163.03914	2.7
167.07043	62.6
168.07327	3.7
171.13773	16.1
173.05920	4.0
175.07590	4.7
181.04980	25.5
181.08559	3.7
187.07504	8.1
200.37958	3.0
205.06808	3.4
205.08630	9.5
208.05222	16.8
210.11327	6.1
217.08594	12.8
219.10184	4.4
221.08101	5.0
235.09595	9.7
236.04697	6.3
247.09680	17.7
248.08336	3.2
254.05812	3.9
263.10703	3.3
265.10699	6.8
269.08075	17.2
272.06451	3.4
273.37506	2.9
276.07944	3.4
282.08945	4.4
291.10034	5.8
304.53125	2.8
307.09695	4.0
310.08337	3.3
315.08624	70.6
323.12469	4.6
330.07220	5.5
330.10983	100.0
331.11557	5.5
337.11063	4.0
343.11685	9.5
343.37723	3.7
351.12338	11.2
369.13013	5.0
383.14844	18.8
401.15836	10.7
419.16376	4.3
419.21707	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.2
55.01874	8.4
55.05506	4.6
55.08285	1.3
57.03437	7.6
57.07077	18.7
59.05008	10.7
61.02923	5.6
64.63557	1.2
67.05503	9.6
68.99786	3.8
69.03442	35.4
69.07069	11.1
69.50435	8.7
71.05009	7.7
73.02917	7.3
81.03427	36.3
81.07055	6.1
83.01353	1.7
83.04977	1.4
83.08605	2.7
85.02916	61.9
85.06542	9.2
87.00840	25.4
91.03954	3.2
91.05472	2.3
93.07054	5.5
95.04973	2.2
95.08620	58.5
97.02901	22.1
97.06534	5.0
99.04454	12.9
99.08105	11.7
105.01878	16.9
105.07014	1.5
107.08609	9.1
109.02901	34.9
109.06557	6.9
109.10178	12.9
111.08095	8.8
111.11736	3.8
113.09656	64.5
113.10454	3.2
115.03947	4.3
117.01881	5.1
119.86824	1.5
120.08241	1.3
123.04420	1.8
127.02998	2.8
127.03933	53.2
127.11221	6.5
129.01871	4.5
134.22198	1.2
135.11719	14.1
137.09531	1.4
137.13277	9.8
145.04968	22.4
147.02910	3.7
153.12762	100.0
155.14325	32.6
159.02895	21.8
171.13814	18.2
213.14912	4.2
231.04951	13.1
260.46277	1.7
266.55835	1.4
279.15900	1.7
380.40698	1.3
419.19098	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	419.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06560	0.4
69.03432	0.5
71.51001	0.5
71.62025	0.3
74.06071	1.2
75.73670	0.3
79.05473	0.5
81.03418	0.4
81.07047	0.4
82.74369	0.3
85.02893	0.6
86.09697	0.4
93.07079	0.3
98.97578	0.4
105.07010	0.3
105.95372	0.3
118.06574	3.0
119.07331	1.5
120.08104	0.6
124.03919	0.8
130.06517	0.4
132.08063	0.8
133.06453	0.3
137.05981	0.6
146.09808	0.4
156.18932	0.3
162.09120	1.1
163.09930	0.7
164.07091	19.1
164.10762	1.8
166.12311	3.0
175.09851	0.6
176.10692	0.6
177.11478	2.2
194.11833	0.5
207.11661	0.4
208.09708	86.7
209.10080	1.0
212.12828	10.4
216.14003	0.3
221.10487	1.3
224.14345	0.5
268.13535	0.4
270.14932	1.3
270.18686	0.4
288.15961	0.7
302.17599	1.0
312.16022	0.3
314.17453	2.5
316.19016	1.3
345.21805	1.6
346.16678	0.4
348.14343	0.4
358.16602	1.1
375.22845	10.6
389.20685	0.4
419.21805	100.0
420.22119	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	419.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95488	0.2
55.01854	0.2
56.42160	0.2
59.41616	0.2
69.03432	0.2
70.02908	0.2
70.06596	1.5
70.97929	0.2
72.04513	0.5
72.08141	0.6
76.36520	0.2
79.05477	0.5
83.04955	0.3
84.08151	0.2
85.02902	0.4
86.09685	0.5
91.05476	0.4
93.07023	0.6
95.04931	0.2
95.08588	0.4
97.02880	0.2
103.05477	0.2
105.07032	1.1
107.04948	0.3
107.08592	0.4
109.02889	0.2
117.07027	0.3
119.08570	0.5
120.08115	2.3
121.02869	2.0
121.06499	0.4
122.78098	0.2
124.07587	0.2
130.76569	0.2
133.08888	0.2
134.09642	0.4
136.11214	0.5
137.05942	0.2
138.09125	0.5
139.03906	0.4
146.09624	1.0
148.07588	0.3
162.09129	0.2
164.10719	13.2
165.07863	1.2
165.11136	0.2
166.08636	0.5
166.12312	0.4
167.07042	0.2
173.09242	1.5
174.09148	0.2
175.11276	0.3
176.11629	0.2
177.09108	0.6
182.11780	0.3
192.10187	1.5
208.09706	0.6
210.11253	100.0
211.11588	0.9
221.11821	0.2
283.08130	0.4
330.10818	0.2
419.21783	21.7
420.22110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05531	0.3
55.98188	0.2
57.07069	0.4
65.03938	0.3
69.15488	0.3
69.15891	2.2
71.08615	0.4
74.74188	0.3
80.91735	0.2
90.96016	0.2
99.00835	0.6
99.04462	4.0
108.41624	0.2
111.04450	2.7
113.02400	0.3
125.06005	10.3
127.80276	0.2
141.05473	4.7
151.44695	0.2
153.05481	100.0
154.05812	0.6
167.07076	0.6
182.26532	0.3
295.59042	0.3
303.73880	0.3
323.04269	0.3
359.61053	0.3
419.35239	38.8
420.35736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.01887	3.0
55.69745	1.9
56.96569	2.6
57.03416	2.9
67.05509	2.3
69.03434	17.1
69.20173	17.9
70.06583	3.6
71.04991	2.8
72.08151	4.7
73.02935	3.0
78.03465	8.4
79.05497	3.7
79.35482	1.9
80.05006	2.5
81.03424	20.4
83.04968	2.3
85.02916	22.8
91.05498	5.0
93.32513	1.8
95.04926	2.7
95.06097	2.2
96.04531	3.1
97.02879	8.6
98.97584	4.4
99.04470	5.6
103.05456	3.2
105.07037	12.2
106.02924	43.6
107.04934	4.7
109.02906	11.4
109.03513	2.2
109.06512	2.5
111.04415	2.2
115.03986	2.0
115.05468	3.0
118.06591	2.6
119.04964	1.7
120.05331	2.0
120.08122	3.0
121.06513	2.6
123.04504	3.4
124.03967	100.0
127.03928	12.6
128.98616	1.9
133.06503	19.6
136.07570	1.9
137.05975	12.1
155.06979	3.3
157.06467	2.3
161.06000	34.7
163.03900	2.8
164.07094	16.2
165.07408	7.4
167.07094	10.0
183.06554	3.3
193.08607	28.3
202.12286	3.6
205.08786	2.0
208.09700	39.4
209.10054	39.9
212.12785	5.4
213.13144	3.6
219.01726	4.1
219.06544	2.2
229.04915	2.3
231.06772	2.4
250.07095	12.9
251.09178	8.7
258.17975	2.5
261.07559	3.1
268.08182	70.5
289.06903	3.0
307.08145	8.0
347.04181	1.9
361.12018	2.2
376.23160	13.3
385.11398	6.1
420.15875	22.7
420.22064	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03158	1.1
57.03441	20.6
59.04974	0.7
61.02931	5.6
65.03926	1.8
69.03434	16.9
69.60914	3.8
71.01344	1.9
71.04971	0.8
73.02922	39.9
81.03419	1.8
85.02911	29.5
85.16819	0.7
85.78586	0.7
87.04488	1.8
91.03967	1.7
91.05486	100.0
92.05826	1.0
97.02895	42.8
99.04456	1.7
105.07037	1.3
109.02889	1.9
115.03935	29.8
117.07058	2.3
127.03932	10.3
129.07034	1.4
131.08562	0.6
132.06586	1.5
133.04961	7.3
133.06526	2.5
143.08620	0.7
145.04979	10.2
145.06503	2.1
150.07651	3.5
157.06474	1.5
161.04521	3.7
161.05714	0.8
163.06009	5.5
169.06413	0.6
171.08109	1.5
175.07578	1.9
178.69218	0.7
187.07567	1.5
193.04932	0.8
205.08621	2.5
217.06874	0.8
217.08652	4.4
223.05969	3.3
235.09653	3.3
241.07072	3.4
253.10719	5.7
259.08157	3.5
288.14526	0.9
295.10239	3.6
428.24561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01873	0.6
55.05496	0.5
57.03426	0.4
57.07076	1.9
61.02922	0.5
65.03932	0.5
66.04688	0.4
67.05511	2.6
69.03435	2.3
69.07066	3.1
69.86991	1.1
71.04981	0.3
73.02938	0.4
79.05492	7.1
81.03432	1.5
81.07056	100.0
82.07384	0.6
85.02904	6.4
87.00825	2.8
91.05479	0.4
93.07085	0.8
95.08609	15.4
97.02899	4.9
99.04459	1.1
102.95865	0.4
105.01865	6.4
108.04498	0.3
109.02898	1.9
109.10194	1.0
115.16827	0.3
127.03921	7.0
137.13258	24.0
145.04959	5.3
147.02834	0.3
154.15857	0.7
159.02921	1.2
167.07109	0.4
179.34750	0.3
180.80681	0.3
231.05034	3.0
249.06052	1.5
284.09854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01871	0.4
55.05502	0.6
57.03425	0.4
57.07080	2.2
61.02920	0.3
67.05503	4.7
69.03430	2.2
69.07071	4.8
69.83262	1.5
71.05006	0.4
73.02919	0.5
79.05495	7.1
81.03429	1.9
81.07056	100.0
82.07414	0.4
85.02908	7.0
87.00820	3.4
93.07072	0.4
95.08610	20.4
97.02895	5.7
99.04472	1.5
105.01871	7.5
109.02892	2.0
109.10163	1.2
127.03920	8.0
129.01868	0.4
137.13261	18.7
139.03996	0.3
145.04958	5.7
154.15932	0.4
159.02933	1.1
176.33876	0.3
230.06920	0.3
231.05031	3.4
249.06052	1.7
259.09836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.5
55.01868	1.0
55.05497	0.6
57.03423	0.8
61.02932	0.6
65.03938	0.9
67.55009	0.5
69.03429	4.1
70.06580	0.5
70.33784	1.8
71.05004	7.4
79.41035	0.5
81.03423	23.3
81.80859	0.6
82.04216	3.7
82.23104	0.7
85.02916	8.5
85.06539	4.5
85.80048	0.6
87.00851	2.7
88.04041	0.6
89.06027	2.9
91.05482	1.0
92.11527	0.5
95.04982	7.9
97.02910	2.6
97.06548	1.8
98.03664	4.0
99.04453	3.7
105.01862	1.0
109.02892	11.8
109.06421	0.6
113.06014	44.0
115.02242	0.5
119.04967	0.8
119.44473	0.5
123.04427	3.6
124.07605	0.5
125.05962	0.8
127.03931	6.4
127.07494	1.0
137.05977	1.3
141.05473	32.2
145.04980	1.2
147.04413	1.1
155.07043	9.2
159.02861	1.1
165.05469	0.8
167.07001	0.6
173.08112	100.0
174.08450	0.9
177.64102	0.5
193.04990	1.2
211.06075	1.1
211.91550	0.5
212.09404	0.6
212.11444	0.7
212.98770	0.6
220.39290	0.6
318.12155	0.6
387.91098	0.6
421.16525	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1341
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03934	0.6
57.03439	2.1
61.02917	0.8
69.03426	2.1
70.34172	1.0
71.01336	0.4
71.04980	0.5
73.02925	3.8
79.05468	0.4
81.03421	1.1
81.04541	0.5
84.04501	0.3
84.08124	0.5
84.69664	0.3
85.02912	3.4
87.04478	0.4
89.06043	0.3
91.03919	0.4
91.05461	0.5
95.06075	0.5
97.02911	2.1
109.02883	1.1
109.06440	0.3
113.06014	1.1
115.03940	0.9
119.04974	0.4
121.06493	0.6
125.07130	1.0
127.03917	100.0
128.04230	0.9
137.05983	0.8
141.05461	1.1
143.08223	0.9
145.04939	1.0
146.75708	0.3
155.06908	0.4
167.07008	0.5
173.08102	2.6
200.63560	0.3
211.06161	0.3
241.15483	0.6
257.77353	0.3
259.05777	0.3
259.16486	2.4
289.09183	4.6
337.65167	0.3
357.13351	0.3
365.85928	0.3
421.16531	1.3
421.21976	2.6
427.52536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1388
Annotation	9-Bromo-16alpha-methyl-pregn-4-ene-3,11,20-trione
Peak:m/z	Relative Intensity
52.49228	0.8
52.96563	0.7
54.83451	0.9
55.61559	0.8
56.96303	1.0
56.96569	13.6
60.87746	0.8
60.88789	0.7
69.70617	4.0
71.95271	1.0
77.45196	0.9
79.05489	1.9
79.55426	0.8
84.96038	4.9
85.02898	1.5
98.97594	68.4
107.08560	0.9
110.97578	22.3
110.98343	1.2
112.99175	3.7
116.98627	11.3
124.99165	1.9
126.97073	2.0
128.98616	9.9
131.00163	1.8
134.99712	0.8
140.98625	3.3
143.00201	5.1
144.98091	4.7
145.01788	0.9
146.99672	2.9
149.01277	1.2
151.04329	3.3
152.98604	3.5
153.02252	7.6
158.99675	23.0
161.01285	1.9
162.99149	1.9
167.03839	0.9
169.05382	18.4
170.99686	4.4
171.03329	15.0
172.94319	1.2
177.00735	7.9
181.05405	1.7
187.06433	8.6
189.00693	2.8
189.04355	5.4
190.95291	1.2
197.04912	3.2
199.06421	12.7
201.00729	8.3
211.06421	1.7
213.04388	18.8
215.05911	1.3
217.07443	5.8
219.01779	42.1
221.05032	1.0
223.06424	1.8
224.47256	0.8
227.06018	2.2
231.05415	11.5
235.08574	5.9
237.02805	24.0
239.05751	1.2
241.07506	4.2
245.07045	1.6
249.04402	1.5
254.09169	1.8
259.08514	8.1
263.07993	2.0
271.08365	1.1
273.06464	2.5
277.06766	1.0
277.09549	4.9
287.08038	1.0
289.09631	2.0
291.11221	1.2
301.09631	3.7
313.09738	1.0
319.10748	2.4
343.10809	2.2
361.11673	68.6
362.12265	1.6
364.29053	0.9
379.12781	94.5
380.13107	1.0
402.14395	1.7
403.12723	1.6
421.13861	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	421.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
53.03939	1.1
55.01872	0.4
55.05506	2.1
57.03426	0.5
57.07072	0.7
63.29568	0.1
65.02747	0.2
65.03943	0.7
65.82445	0.1
66.04728	0.1
67.05505	3.0
68.99792	0.7
69.03429	6.3
69.07067	2.2
69.47873	0.2
71.01342	0.2
71.04984	0.6
71.53077	0.2
77.03941	0.3
79.05490	5.8
81.03418	3.3
81.07054	6.9
83.04979	2.4
83.08608	0.8
85.02909	1.7
85.06550	0.4
87.00826	2.9
90.40884	0.2
91.05477	6.9
93.07047	3.7
95.04964	1.3
95.08604	2.5
97.02885	3.2
97.06536	0.7
99.04460	0.8
99.08094	0.2
103.05444	0.4
105.01868	1.0
105.04559	0.3
105.06303	0.3
105.07030	8.7
107.04959	3.9
107.08591	20.1
109.02879	4.4
109.06518	2.0
109.10156	6.3
111.04447	0.3
111.08092	0.4
115.03938	0.5
115.05430	1.3
116.06258	0.2
117.07009	2.3
118.07790	0.5
119.06073	0.6
119.08581	3.5
121.06509	2.1
121.10141	11.4
122.07281	6.7
122.08174	0.3
123.08063	1.1
123.11696	0.2
125.02351	0.2
125.09585	0.2
127.03915	10.6
128.04294	0.2
129.07013	0.2
131.08559	2.7
133.10127	100.0
134.10434	1.2
135.04459	0.2
135.08051	7.1
135.11659	1.1
136.08871	0.3
137.09613	56.4
138.09969	0.7
140.67305	0.2
143.08566	0.9
145.04994	1.1
145.10130	1.3
145.67191	0.2
147.08051	0.3
147.11674	2.4
149.05992	0.3
149.09599	2.0
149.13252	8.4
151.07539	0.4
155.14287	0.3
156.09389	0.2
157.10126	0.3
158.10905	1.7
159.08113	0.2
159.11687	0.3
161.04459	0.2
161.05997	0.3
161.09625	0.4
161.13246	0.2
163.11174	0.4
163.14789	1.7
167.07025	0.2
169.04974	0.2
171.11719	0.3
173.09695	0.2
173.13261	5.8
175.07681	0.2
175.11195	0.2
179.07092	0.3
181.08705	0.2
185.13287	0.2
187.11263	0.2
189.09065	0.2
189.12759	0.6
191.14301	45.9
192.14642	0.6
195.02843	0.3
203.14296	0.3
213.03944	3.7
215.07121	0.4
231.04965	1.8
245.15404	0.3
257.15378	0.2
259.09619	0.5
283.08231	0.2
299.16266	0.4
314.63223	0.2
317.17477	0.9
335.18427	0.6
403.17419	1.4
421.18988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.0
55.01878	4.7
55.05503	4.8
57.03442	2.8
57.07081	1.9
59.41087	1.1
61.02933	2.1
62.56580	1.1
67.05511	10.0
69.03441	17.2
69.07069	9.9
71.05000	2.3
71.51923	2.3
73.02940	2.2
79.05509	7.4
80.26592	1.2
81.03436	11.6
81.07063	100.0
83.08633	2.3
85.02912	31.8
87.00832	17.7
87.32438	1.4
91.05495	6.3
93.07041	7.5
95.05006	2.5
95.08618	73.9
97.02898	14.3
97.06537	13.6
97.10172	8.5
99.04482	3.0
105.01884	15.2
105.07051	3.7
107.08604	3.3
107.84474	1.2
109.02866	8.9
109.06511	1.7
109.10168	3.0
111.04483	1.7
111.11726	2.3
115.05453	1.4
119.04969	2.3
119.08606	3.0
121.06528	2.6
121.10131	2.9
127.03938	21.2
131.08588	2.2
133.06523	1.4
135.04387	1.3
135.11696	1.6
137.05983	4.8
137.13263	80.6
141.07042	1.8
145.02887	1.3
145.04979	5.3
145.10181	1.6
147.11685	6.5
149.09636	1.5
151.07587	4.7
155.14322	46.5
155.15598	2.5
159.02840	3.0
161.02368	2.0
161.06053	2.6
163.03908	9.1
165.05516	1.5
165.06975	1.3
167.07077	1.4
173.02385	5.6
173.05850	1.4
173.13281	2.9
173.15422	11.1
191.14354	15.3
207.03000	2.3
213.04024	2.1
215.06967	8.3
215.23514	1.3
231.05051	2.9
233.08157	1.5
241.08495	1.5
259.09695	20.8
259.14481	4.1
280.12009	2.2
298.12775	1.4
358.51718	1.3
403.13693	2.0
421.15985	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	421.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01866	2.8
55.05511	4.3
57.03425	2.5
57.07079	1.7
59.67340	1.2
61.02927	3.1
63.32541	1.0
67.05508	11.1
69.03436	15.0
69.07066	5.6
69.46021	8.6
71.04988	1.7
73.02918	2.8
75.45312	1.3
79.05499	4.7
81.03424	9.7
81.07056	100.0
85.02906	35.2
87.00827	18.5
91.05428	1.6
93.07040	2.7
95.08608	87.2
97.02901	10.9
97.06525	1.2
97.10165	11.8
99.04472	4.4
105.01870	19.1
109.02876	9.5
109.10184	1.3
111.11729	3.8
127.03934	19.2
130.61751	1.2
135.11755	1.3
137.13255	91.7
138.13564	1.4
145.04950	7.3
155.14314	45.8
159.02861	2.8
173.15410	4.3
189.04071	1.4
206.53877	1.4
213.03969	1.8
231.04950	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.01868	1.4
55.05515	5.8
57.03434	1.6
57.07073	4.2
59.05003	3.8
61.02919	1.2
67.05504	7.6
69.03438	13.9
69.07070	16.2
71.05000	14.3
71.08630	1.7
71.35364	1.6
73.01202	1.0
73.02924	1.7
79.05496	6.5
81.03415	9.3
81.07063	57.1
83.08627	3.3
85.02912	15.9
85.06543	11.2
87.00816	6.3
91.05504	2.5
93.07058	1.1
95.04975	1.8
95.08617	35.6
96.36185	1.1
97.02894	7.8
97.10177	2.9
99.04461	4.3
99.08102	12.1
101.02344	1.3
105.01878	3.4
105.07034	2.6
107.04964	10.2
107.08602	2.0
108.00509	1.1
109.02885	10.1
109.10180	4.9
111.11742	2.6
115.03946	1.8
121.02880	11.1
121.06542	1.1
123.08117	1.8
127.03920	12.8
129.07025	1.7
131.08580	2.3
133.06487	1.5
133.10075	1.2
135.08104	1.2
137.05995	3.8
137.13266	31.0
137.14264	2.0
139.03859	1.2
143.14317	1.5
145.04939	1.8
146.15024	1.1
149.09589	1.1
155.14314	100.0
159.02914	1.4
173.15384	64.2
174.15717	1.6
185.05986	2.2
192.51285	1.2
201.09077	2.6
213.03830	1.5
223.08707	1.7
231.04977	10.1
231.06886	1.3
243.10239	3.1
251.08136	2.2
255.07491	1.2
269.05594	2.3
269.09335	1.1
279.07788	2.2
283.07285	3.1
287.06665	2.5
293.05609	2.3
297.08853	1.5
301.08218	1.6
307.07339	1.5
311.06705	11.9
325.08362	2.8
327.09991	2.1
329.07684	8.1
335.06689	1.3
347.08832	4.3
353.07724	15.3
357.10898	2.7
367.17624	1.4
371.08746	3.0
385.10428	1.8
403.11383	23.3
421.12415	1.1
421.19333	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62479	0.9
53.03933	2.8
54.03965	0.8
55.01846	2.3
55.05499	3.7
55.94281	0.9
57.03425	2.9
57.07062	2.2
57.17648	0.9
57.32449	0.9
59.04992	1.9
61.02910	4.2
65.68055	0.9
66.72171	0.8
67.05505	8.2
68.99784	1.1
69.03093	1.3
69.03433	17.5
69.07070	10.8
71.04982	3.8
71.52987	1.4
71.93905	0.8
79.05496	7.7
81.03420	8.6
81.07056	100.0
82.07457	1.2
83.08602	2.5
85.02906	38.5
85.06516	2.7
87.00320	1.7
87.00827	22.0
91.05479	2.4
91.81065	0.9
93.07039	3.2
95.04959	1.6
95.08610	34.9
97.02897	14.5
97.06515	3.8
97.10172	1.3
99.04461	4.5
99.08082	4.5
103.03920	1.0
105.01865	34.4
105.07011	3.9
107.04932	0.9
107.08585	3.4
109.02883	7.6
109.10145	1.8
111.11693	2.3
115.03922	2.8
117.20238	1.0
119.08555	2.7
121.10133	2.1
122.07185	1.0
123.04430	1.6
123.44701	1.0
125.02358	1.0
127.03918	25.9
131.08543	2.0
133.10133	7.1
135.08057	1.8
137.05977	2.2
137.09601	3.8
137.13254	23.8
142.29204	1.1
145.04948	10.5
145.10109	1.7
147.11685	2.6
149.13263	2.1
151.07576	1.6
155.14304	14.7
159.02898	2.1
159.11769	1.0
161.05923	1.5
161.13292	1.3
163.03928	1.4
173.02368	1.7
173.13289	1.3
173.15445	2.0
177.12848	1.4
189.03978	1.7
189.09070	1.0
189.12721	1.1
191.14259	3.2
213.03952	1.1
215.07079	2.0
221.15308	1.2
231.05005	5.3
245.15347	2.7
249.06027	2.5
259.09546	5.3
263.16357	2.9
291.88278	1.0
349.16684	1.0
367.17593	1.0
421.15103	2.0
422.25079	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01859	2.7
55.05515	5.7
57.03424	2.1
57.07067	1.9
59.29050	0.8
61.02916	2.2
67.05507	10.0
68.99776	1.3
69.03432	15.4
69.07059	4.3
71.04977	2.7
71.36757	1.9
73.02898	3.1
74.87543	0.9
75.79248	0.8
79.05484	4.5
81.03422	10.1
81.07054	100.0
82.07366	1.0
85.02904	34.9
85.06516	2.3
86.47440	0.8
87.00825	18.3
91.05468	1.4
93.07014	2.9
93.25670	1.0
95.08606	82.7
97.02890	11.3
97.10162	10.6
99.04438	4.3
105.01859	15.7
105.07028	1.1
107.08571	1.9
109.02878	12.9
109.10134	1.2
111.11712	3.8
119.08602	1.4
121.10145	1.6
127.03920	22.6
129.01857	1.6
133.10121	2.9
133.72035	0.9
137.05949	1.1
137.09590	1.5
137.13254	93.5
145.04938	5.9
151.03943	1.1
155.14305	43.3
159.02882	2.9
167.07112	1.2
168.94339	1.0
173.15372	18.4
191.14401	1.2
213.03819	2.1
215.07054	2.3
231.05080	4.5
259.09763	2.0
354.96674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01854	3.4
55.05510	5.9
57.03413	3.3
57.07051	2.2
61.02907	2.6
64.59521	1.1
67.05502	10.8
68.03909	1.1
68.99786	1.6
69.03433	15.3
69.07058	3.4
69.26302	9.8
69.26633	1.9
73.02921	2.2
79.05481	5.3
81.03429	11.0
81.07055	100.0
85.02908	36.3
87.00328	1.2
87.00834	18.1
93.07035	3.2
95.08608	84.5
97.02889	11.2
97.06503	1.3
97.10165	9.4
99.04451	4.2
99.08055	1.2
105.01203	1.4
105.01865	18.7
109.02888	11.2
109.10130	1.3
109.70477	1.3
111.11700	3.0
115.08723	1.4
127.03909	22.7
133.10136	1.4
137.13255	88.0
145.04956	8.1
148.07567	2.2
153.90356	1.2
155.14302	46.8
159.02895	3.3
163.03906	1.6
173.15390	17.9
213.03949	1.9
231.05011	4.2
237.07674	1.0
255.18327	1.0
259.09628	3.1
300.67755	1.0
311.63794	1.0
410.92743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47716	0.2
52.67672	0.2
55.05504	0.8
57.03442	0.4
57.07084	15.7
60.36731	0.2
63.30538	0.2
65.81232	0.2
67.05513	1.4
69.07066	0.9
71.52637	0.4
79.05505	1.1
81.03388	0.4
81.07065	1.8
83.04982	0.4
84.08114	0.3
85.02902	0.4
91.05476	1.0
93.07040	1.1
93.32752	0.2
95.04960	0.5
95.08607	1.1
97.06515	0.7
105.07035	1.4
107.04948	0.3
107.08573	1.3
108.04473	0.4
109.02873	0.2
109.10149	1.3
112.66661	0.2
119.08587	1.0
121.06570	0.4
121.10143	1.1
123.11749	0.3
125.06300	0.3
125.07117	1.8
125.09634	0.3
126.05534	2.3
129.07045	0.4
131.08592	0.8
133.10132	0.7
135.08031	0.2
135.11749	0.4
137.06009	0.3
145.02858	0.3
145.10129	0.8
147.11684	0.6
149.02322	0.8
149.13243	0.4
155.08531	0.3
157.10129	0.7
159.11685	0.6
161.13188	0.3
163.03877	0.7
165.05402	0.3
171.11734	0.2
173.13237	0.3
182.10999	0.2
185.13223	0.4
187.14882	0.4
189.16325	0.3
191.11850	0.4
192.10309	0.4
193.05009	0.8
199.14787	0.4
201.16440	0.3
208.14471	1.0
209.12868	5.9
210.11285	0.6
215.07114	0.3
218.12898	2.7
219.11282	1.1
219.37303	0.2
256.26505	0.5
259.09668	1.5
260.15125	0.4
275.17569	4.6
292.20218	4.3
293.18555	4.8
302.18643	9.3
304.46545	0.2
329.21030	0.5
358.24969	1.0
376.25958	100.0
377.26404	1.7
394.27112	2.1
403.24857	0.3
421.25891	1.2
421.31705	6.0
422.29056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3677
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
55.01893	1.5
55.05516	8.5
57.07067	6.3
67.05515	10.4
69.07074	14.3
71.08648	2.6
71.52880	2.0
79.05496	1.7
81.07059	3.3
83.08621	6.5
85.06556	1.9
85.10179	2.5
89.06036	4.4
91.05479	5.7
91.44968	1.4
93.07060	35.7
95.04974	1.8
95.08612	25.2
97.10165	5.5
107.08579	7.9
109.06528	1.9
109.10165	4.4
111.08083	18.5
119.08606	2.6
121.06554	1.8
121.10165	2.3
123.08156	2.4
125.09605	3.2
127.07561	3.1
129.91939	1.4
133.10202	1.8
135.11725	1.7
139.07549	20.7
147.11710	1.9
149.13277	2.3
153.09125	12.4
157.08609	2.6
167.10693	7.0
171.11757	1.6
181.12241	7.0
195.13826	6.2
209.15372	2.8
277.21899	1.5
285.31860	1.5
403.35776	21.6
421.24295	14.9
421.36798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3677
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03929	1.5
55.05514	11.9
57.03437	1.5
57.07079	16.3
58.21941	1.2
59.01395	1.1
67.05513	6.3
69.03436	1.9
69.07069	19.7
71.08641	10.6
74.47603	1.4
79.05466	3.2
81.07051	15.9
83.04986	24.1
83.08626	10.3
85.10179	5.4
89.06039	2.4
93.07044	6.1
95.08614	15.6
97.10178	7.2
105.07044	4.4
107.08585	6.9
109.06543	5.3
109.10159	9.8
111.08073	3.5
111.11727	4.5
119.08570	5.2
121.10149	5.1
123.08073	9.0
123.11752	3.7
125.05987	1.5
127.07581	1.7
133.08607	1.8
133.10147	5.7
135.08078	4.0
135.11710	2.1
137.05968	14.9
137.09630	3.0
137.13316	2.0
139.07527	7.8
141.22403	1.4
145.10120	2.6
147.11728	4.7
149.09631	2.6
151.07550	5.0
151.11223	4.1
155.07057	5.3
157.10103	1.4
159.11610	1.3
161.09630	12.3
161.13316	4.1
165.09178	3.3
171.11717	2.0
175.11165	6.3
175.14903	2.1
179.10701	3.3
179.14400	2.0
189.12773	6.5
189.16319	1.4
193.12198	2.9
202.01532	1.4
203.14389	1.7
203.17755	1.5
207.13907	1.7
211.13452	1.5
224.63214	1.3
283.09167	1.4
297.18265	1.4
357.34995	1.9
375.36264	13.7
385.34674	6.3
403.35693	30.4
403.40598	2.5
421.36777	100.0
422.37180	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
53.03947	4.0
55.01865	0.6
56.94621	0.5
57.03432	1.4
69.03432	9.7
70.55600	1.4
71.04977	1.0
78.03459	18.3
79.05495	0.8
80.05019	1.9
81.03425	23.4
81.07068	2.4
85.02913	6.8
91.05498	2.6
94.77895	0.6
96.04492	2.6
97.02894	5.6
99.04456	3.9
106.02922	60.7
107.04965	2.8
109.02883	11.9
109.06529	2.6
119.04952	2.0
121.06463	1.5
124.03961	100.0
127.03935	7.5
137.05002	1.0
137.05989	9.0
141.88783	0.5
158.12062	0.6
166.05002	1.3
190.24878	0.6
196.06090	1.1
201.88297	0.5
214.21251	0.5
226.07140	0.9
232.06047	2.6
250.07123	22.6
268.08179	37.7
269.08572	0.6
286.09229	0.8
351.84842	0.5
404.13412	4.7
422.14606	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	422.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17677	1.6
55.01875	2.4
67.05499	6.4
69.03430	4.3
69.37258	10.4
71.01360	2.0
71.04994	3.0
79.05494	3.7
81.03423	3.8
81.07052	5.8
84.56276	1.4
85.02905	11.5
91.05486	18.6
93.07053	9.3
93.70051	1.4
95.04972	9.4
95.08611	2.0
97.02897	3.6
99.04459	10.0
103.05434	2.9
105.07032	3.9
107.08611	2.7
109.02895	3.8
109.06507	2.7
109.10113	1.4
118.26045	1.7
119.04956	28.1
121.06541	16.0
123.04438	4.7
127.03903	3.6
133.06326	1.5
137.06001	11.4
138.09123	2.3
141.05365	3.3
145.05002	3.7
147.04407	33.1
147.11729	2.2
149.06003	16.1
161.13271	3.7
165.05467	18.5
167.07047	5.3
173.15445	1.9
175.03905	4.7
179.07060	12.3
193.04958	20.3
197.08067	9.9
207.06569	2.7
207.13853	1.8
211.06042	16.5
225.07593	35.8
225.09868	2.2
225.14914	8.3
230.12691	1.5
243.08647	100.0
244.08961	1.5
260.12665	1.7
380.16455	1.7
404.11768	2.0
422.17334	2.1
437.17551	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.7
55.05510	2.4
69.07068	2.3
79.05487	5.9
81.03409	7.6
81.07063	3.4
83.04969	3.4
91.05477	6.4
95.04979	3.7
97.02866	2.5
97.06570	3.8
104.51859	2.0
105.07008	3.0
107.04959	5.5
107.08588	2.1
109.02844	2.4
109.06574	2.6
111.04456	2.4
115.05473	2.7
117.06995	4.0
119.04956	2.8
119.08627	2.4
121.06512	5.4
128.06281	2.4
128.53606	1.9
129.06999	4.1
131.08548	2.2
133.02834	4.2
133.06490	5.8
135.04414	2.9
136.05203	3.8
137.05991	26.3
143.08574	2.4
145.06479	10.4
146.07271	6.2
147.08005	3.3
149.05966	2.7
151.03917	2.3
151.07562	100.0
153.05527	2.6
157.06451	3.9
158.07285	5.7
159.04393	4.3
159.08005	4.2
160.08873	2.5
161.06018	11.1
162.06740	4.1
163.03943	4.2
163.07492	2.2
164.04221	3.2
171.08142	3.1
172.08856	8.3
173.05989	5.4
174.06812	12.5
175.07578	7.7
176.08350	28.0
177.09129	24.8
179.07008	2.8
186.06622	2.6
187.07565	6.1
188.08345	16.3
189.05460	3.1
189.09129	90.0
190.09781	2.2
191.07059	2.9
191.10664	4.8
192.64632	2.1
195.06491	2.3
195.08119	4.1
200.08389	2.9
201.09108	12.8
202.09889	14.4
203.06975	4.0
203.10693	28.7
205.08635	5.1
208.08818	3.9
209.09625	2.9
212.08394	2.8
213.09091	2.6
214.09839	5.8
215.07010	3.6
216.07721	5.4
217.08618	14.0
218.09274	4.9
219.10121	12.9
222.10390	3.7
223.11176	2.4
225.09178	4.2
226.09789	2.7
231.10155	32.3
232.10924	3.9
233.08063	23.3
235.07611	4.0
238.09850	4.2
239.10701	8.9
241.12202	2.9
247.09740	5.1
249.08911	2.8
249.11246	39.0
250.09915	3.6
251.10695	5.3
253.12224	5.8
259.09735	4.2
260.10086	5.0
264.07974	2.2
265.08841	2.5
265.12222	6.0
267.08688	8.9
269.11169	2.3
278.09348	4.2
279.10080	3.3
281.11646	11.8
283.13345	9.2
284.10080	2.2
285.11240	5.1
291.10318	5.0
293.11688	5.1
295.09689	4.0
299.12845	8.1
305.11691	3.0
309.11322	14.6
311.12851	8.4
313.10712	8.7
319.09732	2.4
327.12323	15.8
329.13885	28.7
337.10654	5.2
337.14374	2.6
341.10114	3.7
341.13867	4.1
345.13269	7.6
355.11780	64.3
355.15503	4.8
369.13562	2.9
373.12851	23.6
386.60266	2.1
387.14365	15.6
405.15494	37.6
422.26471	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	422.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78456	2.7
55.01863	2.8
59.65703	2.6
67.05490	5.6
67.28506	2.3
68.18404	2.7
69.03423	5.0
69.07067	5.7
71.37508	5.1
79.05507	6.6
81.07067	6.2
85.02914	4.0
91.05468	12.2
93.07054	5.0
95.08612	5.3
97.02882	4.3
97.06532	14.2
98.06852	5.6
98.36066	2.4
99.08079	5.1
105.07039	6.1
107.05007	6.3
107.08582	4.1
108.05714	3.0
109.06541	6.9
115.05457	6.4
117.07015	5.7
119.04927	3.0
119.08637	3.0
121.02878	4.0
121.06525	11.2
122.10381	2.8
123.04427	3.1
125.06009	10.1
127.03915	2.9
129.06990	6.4
131.04953	6.6
131.08594	4.4
133.06458	4.8
135.04372	3.0
136.05194	3.5
137.05986	33.3
138.03128	5.6
140.04677	16.7
141.06970	3.2
143.08559	4.5
145.06493	20.8
145.07500	3.4
145.10120	3.7
146.07277	7.5
147.04436	6.5
147.08043	7.5
149.05986	5.6
151.06474	2.5
151.07556	66.0
152.08337	10.1
153.05476	100.0
153.06737	4.7
157.06502	8.9
158.07289	4.5
159.04407	9.6
159.08037	5.5
160.05144	3.6
161.05998	5.7
163.03949	5.1
163.07541	5.4
164.04222	4.9
172.08839	15.6
173.02383	4.5
173.06027	11.7
174.06749	9.4
175.07568	10.8
176.08414	5.9
177.05479	7.4
177.09131	18.8
188.08336	38.6
189.09100	24.4
191.07091	5.1
201.09102	4.8
203.07062	9.6
203.10692	31.0
205.04932	19.0
216.07530	5.8
217.08661	4.4
218.09482	3.9
219.06519	6.9
219.10147	17.7
236.06792	7.7
237.07588	21.9
247.09706	15.8
259.09668	8.7
260.09952	14.1
262.14456	3.7
277.08548	4.5
297.86462	2.7
309.11188	9.6
331.69705	2.6
332.18613	3.5
337.10727	11.9
341.13986	3.0
360.18118	11.2
369.13409	9.4
372.15613	6.0
376.21024	4.3
378.18979	16.9
388.15262	13.6
404.20200	3.7
422.21750	92.4
442.65225	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	422.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.9
67.05505	6.0
68.07164	2.9
69.03470	3.0
69.07044	2.6
69.93676	13.0
72.21900	3.0
79.05480	7.8
80.05774	3.0
81.07076	3.3
85.02896	4.2
91.05480	10.2
93.07061	4.3
95.04995	14.7
95.08608	5.0
97.02897	6.9
97.06550	5.7
98.11695	2.6
98.61076	2.5
104.23406	2.7
105.07048	6.6
107.04936	6.5
108.20136	2.6
109.02917	4.6
119.04940	2.5
123.04435	4.5
125.06016	3.2
125.09562	2.5
127.03863	3.5
129.07068	3.1
131.04897	2.6
131.08571	2.6
133.02867	9.0
133.10138	2.8
135.04480	4.5
137.05995	16.5
143.04883	3.1
145.06477	6.0
146.07260	5.9
147.04431	5.1
149.05984	4.5
151.03885	5.0
151.07561	79.0
153.05482	10.1
159.04378	3.5
159.08023	2.9
161.05986	13.8
162.06786	4.1
163.03867	8.9
164.04329	3.1
165.09351	3.2
173.02301	3.0
174.06781	9.3
175.07550	6.7
175.14937	3.0
176.08354	33.4
177.05539	4.4
177.09143	26.3
179.07048	8.8
179.08511	3.9
186.06763	7.0
187.07626	4.7
188.08308	5.4
189.09131	45.0
190.09834	2.9
191.06964	4.3
195.08089	3.0
201.09068	6.1
202.09897	13.9
203.06958	3.8
203.10721	11.1
205.08623	10.3
206.07187	3.4
207.08107	5.7
208.08865	3.2
209.09505	5.9
210.10416	3.3
213.09120	3.8
215.07062	6.2
217.08665	21.7
218.09424	10.8
219.08253	5.3
219.10184	4.6
222.10316	4.3
223.07541	5.0
224.08398	6.0
225.09103	7.6
226.09856	4.6
227.10706	4.4
231.10175	4.7
232.11037	4.3
233.08070	44.5
234.10382	6.6
235.07574	4.6
238.09885	5.9
239.10648	16.8
240.11316	3.5
241.12321	3.9
247.09703	10.3
249.09164	9.1
250.09854	6.7
251.10683	6.3
253.12279	13.7
260.10068	9.7
263.10675	4.5
264.08044	3.5
265.12277	7.6
266.09409	3.5
267.10175	8.0
271.09457	3.0
277.08554	4.1
278.09357	6.0
279.10107	8.1
281.11755	24.4
283.13269	14.2
285.11212	8.4
291.10287	4.7
293.11673	4.8
294.08884	3.5
295.09677	6.8
297.11194	3.4
299.09592	3.6
299.12766	16.1
309.11179	24.1
311.12823	12.0
313.10757	13.2
313.14346	5.8
323.09045	4.6
327.12314	35.3
329.13910	41.8
337.10663	13.0
341.10101	14.8
341.13727	4.9
345.13373	13.5
355.11798	100.0
359.14886	8.1
369.13531	3.5
373.12854	48.0
387.14343	19.5
405.15488	98.0
413.29529	3.0
422.26279	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	422.202
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	2.2
69.03419	4.4
69.66648	6.8
69.67058	2.1
74.06010	1.2
81.03417	4.1
81.07054	7.5
85.02905	10.0
87.00830	6.5
90.40665	1.4
93.07037	3.2
95.08607	20.4
97.02893	5.8
98.20821	2.6
99.04437	2.8
105.01872	3.3
109.02890	2.8
109.10169	1.6
109.29452	1.3
117.01894	1.3
120.32985	1.5
121.10133	5.9
123.08064	1.5
127.03933	8.5
139.11186	40.5
140.11510	1.4
145.04987	2.4
146.66443	1.2
157.12242	100.0
158.12573	2.0
159.02936	1.6
225.14806	2.8
242.18242	1.6
246.33626	1.5
305.75018	1.5
429.36710	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01875	1.8
55.05515	2.7
55.31396	1.4
56.11945	1.5
57.03442	2.3
57.83905	1.6
59.04992	2.2
65.49100	1.2
67.05504	4.4
68.02709	1.4
69.03423	5.0
69.07063	5.2
70.06596	2.4
71.04996	2.9
71.41549	3.1
79.05137	1.8
79.05505	18.3
81.03417	4.8
81.07061	36.0
83.04972	9.0
83.08630	1.8
85.02911	13.3
87.00828	5.9
91.05491	4.8
92.39394	1.4
93.07044	39.3
95.04971	2.5
95.08602	9.7
97.02871	7.9
97.06530	3.3
99.04443	2.4
105.01860	8.5
105.07037	5.1
107.04966	2.7
107.08570	2.6
109.02888	5.4
119.08557	3.7
121.10148	100.0
123.08059	2.2
123.11730	1.6
127.03891	8.6
131.08566	2.0
133.10098	1.9
137.09602	2.3
139.07549	7.1
139.11183	83.4
145.04968	4.3
147.11690	2.0
149.09645	2.4
159.02885	1.8
161.09604	1.6
163.03880	1.4
163.11208	1.6
174.09221	1.9
175.62140	1.4
199.06088	1.9
207.13901	2.2
225.14873	6.6
242.11774	4.3
243.15881	2.3
247.13225	1.8
260.12866	11.6
402.58047	1.5
422.18546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
64.41296	0.9
67.05505	1.5
69.03435	4.6
69.15590	10.8
71.05018	1.5
81.03438	3.8
81.07056	4.4
82.65494	0.9
84.77161	1.0
85.02916	10.5
87.00819	5.1
93.07045	3.6
95.08623	17.9
97.02885	5.2
98.21541	2.1
99.04452	1.5
105.01881	3.2
106.35381	1.2
107.08587	1.1
109.02895	3.6
121.10164	4.4
123.08073	1.6
127.03928	5.0
135.49998	1.2
139.11191	35.8
145.05002	1.3
157.12251	100.0
158.12538	1.1
159.02913	2.1
225.14722	1.1
237.65262	1.0
262.40271	1.1
354.78247	1.0
373.87073	1.0
415.42426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.01871	2.1
55.05510	1.8
57.07075	1.4
61.01157	5.7
67.05520	1.7
69.03431	2.6
69.63013	5.4
70.45912	0.9
71.05024	0.9
72.04516	8.9
73.02905	2.3
78.03436	1.6
78.03810	13.5
81.03427	4.5
83.04970	3.1
85.02909	10.1
86.06098	1.4
86.09722	1.3
88.02231	4.9
91.05486	2.2
95.04964	2.7
97.02906	1.7
98.02425	1.0
99.04458	4.6
99.05581	2.9
102.03776	23.5
103.02153	2.1
103.03942	13.3
104.01706	1.3
106.02921	6.0
107.03342	0.9
109.02898	6.2
110.85851	0.8
113.06024	1.7
114.03749	3.2
114.05550	1.3
115.05069	1.0
119.04943	1.7
120.04797	4.1
121.06524	1.5
124.03972	11.0
124.07621	1.4
125.04282	1.2
126.05526	18.2
127.03931	6.7
130.05009	2.9
131.06389	12.4
132.04799	13.4
141.06606	1.4
142.08638	4.1
147.04451	1.9
149.07451	49.2
152.07071	2.5
154.08607	2.4
156.06532	1.5
158.02690	1.2
159.05908	3.2
163.03944	1.0
164.07141	1.2
175.05412	3.5
176.01334	1.0
180.06541	12.7
183.06506	1.0
184.09624	1.8
193.05128	0.9
198.07639	2.4
209.12059	0.9
209.39192	1.0
216.08656	1.3
221.72699	0.9
222.08083	1.4
222.19531	1.0
231.11655	3.7
239.08281	1.0
250.07115	2.7
251.07478	1.0
257.09622	1.9
261.10138	0.9
261.12659	4.3
268.08249	4.4
269.08463	0.9
275.10577	2.6
293.11673	100.0
299.10010	0.9
327.09674	3.0
345.10715	1.8
387.11707	1.8
405.17014	33.7
406.15118	1.6
423.14032	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	423.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
55.05508	3.0
55.53139	0.9
57.03439	2.2
57.07085	1.1
67.05493	2.2
67.68737	1.0
68.99801	1.2
69.03434	8.9
69.07066	8.0
71.04995	1.6
73.02909	1.3
79.05492	3.1
81.03409	3.1
81.07057	4.6
83.04975	2.7
83.08618	1.7
85.02906	7.3
85.06580	1.6
87.00829	6.6
87.01278	0.9
91.05480	6.2
93.07050	4.5
95.08594	8.1
97.02901	5.8
103.03952	1.1
105.01888	3.8
105.07032	11.9
107.08603	12.0
109.02882	3.0
109.06563	1.8
109.10163	3.7
111.04447	1.6
111.08134	1.3
115.03939	2.1
117.07018	3.1
119.04941	1.1
119.08585	57.3
121.06535	1.4
121.10142	12.6
125.02274	1.2
127.03893	4.6
131.08556	6.5
133.10138	58.7
134.10919	3.6
135.08031	1.6
135.11697	3.2
137.05960	2.1
143.08588	2.2
144.09430	1.2
145.10144	7.6
147.08055	1.2
147.11703	17.9
149.13293	1.3
157.10144	2.7
158.10944	2.0
159.07982	0.9
159.11717	2.2
160.12465	3.3
161.13283	3.7
169.10042	1.1
171.11671	1.4
173.13280	11.9
175.14830	100.0
176.15088	2.2
177.16396	11.3
185.09673	1.0
185.13419	1.4
187.14825	5.9
189.16333	1.3
199.14818	1.5
201.03970	1.2
201.16415	1.2
205.15878	8.8
215.14294	1.5
223.14778	1.1
229.15952	1.4
231.05026	1.7
242.55742	1.1
265.15710	1.1
283.16885	2.4
301.18219	2.2
319.19284	1.4
387.18042	2.0
405.19009	5.4
421.91171	1.3
423.20215	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	423.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44039	1.6
52.99249	1.7
53.03938	7.6
55.01864	5.4
55.05513	27.6
57.03422	4.9
57.07082	17.1
61.02919	7.4
68.99785	3.6
69.03435	45.5
69.06175	1.7
69.07072	25.8
69.80299	10.3
71.04980	5.1
71.08612	3.8
73.02905	3.4
74.67142	1.7
77.01222	1.8
81.03418	33.2
81.07051	7.9
82.33176	1.8
83.08622	81.5
85.02909	87.6
87.00829	48.7
95.08637	2.3
97.02901	25.6
97.10166	14.2
98.21432	2.6
99.04459	13.4
101.30287	2.0
105.01874	45.5
109.02882	45.1
111.04417	2.6
117.01865	1.7
118.77416	1.7
119.67019	1.8
127.03921	100.0
129.01900	2.2
137.09637	2.0
139.14825	3.4
145.04985	15.9
147.02907	3.3
157.15892	27.1
159.02895	4.1
175.16925	15.6
189.03934	2.0
190.63809	2.0
193.15935	1.7
210.75664	1.9
211.17068	2.2
213.03969	7.2
231.05022	27.4
247.19595	1.5
258.99509	1.8
262.64865	1.9
268.88434	1.7
303.58517	1.7
339.22537	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	19.5
57.03426	7.5
57.07065	4.6
63.79352	4.4
67.05506	100.0
69.03426	16.3
69.07058	26.8
70.07411	4.5
71.52251	8.5
79.05505	42.0
81.03423	16.3
81.06599	5.1
81.07066	78.5
83.04980	7.9
83.08633	18.2
91.05495	40.2
93.07050	58.1
95.04949	9.8
95.08614	65.4
97.02887	5.7
99.04485	7.4
105.07037	39.0
107.04877	4.8
107.08591	53.0
109.10168	70.1
111.08125	6.2
117.07033	17.6
117.35010	4.7
119.08591	45.5
121.10143	33.7
123.11709	11.0
123.74520	4.0
129.06996	9.4
131.08554	27.0
133.06529	5.5
133.10135	35.0
135.08142	4.3
135.11690	31.1
137.09584	6.3
137.13338	4.6
143.08585	13.0
145.10150	30.2
147.11711	26.9
149.09648	5.5
149.13269	28.3
155.08522	5.0
157.10158	10.2
159.08066	5.2
159.11696	24.0
161.13298	21.6
163.14825	9.2
169.10158	5.6
171.11658	12.0
173.11864	6.1
173.13289	18.0
175.14896	13.7
181.10109	5.0
183.11665	10.6
185.13242	10.2
187.14871	16.3
189.16412	14.4
191.17955	7.7
195.13899	9.9
199.14851	7.7
201.12767	10.5
202.60385	4.2
203.17955	8.2
213.16409	6.3
215.18102	5.6
217.12265	4.1
218.64798	4.5
225.16405	6.5
227.17880	5.1
240.17763	4.0
261.22122	9.8
273.21936	5.4
277.21664	4.6
303.23224	9.9
309.22003	6.0
310.10855	4.9
369.24103	9.4
405.26242	12.2
405.31052	7.1
423.27313	55.1
423.32458	56.2
423.36676	7.2
423.41266	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	423.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23076	0.8
53.03940	4.1
55.01878	5.4
55.05519	13.6
57.03450	4.7
57.07064	4.3
65.03951	1.9
67.05513	35.3
69.03433	8.6
69.07076	15.9
71.05013	4.8
71.08613	1.8
71.52489	1.4
73.02918	1.5
79.05502	26.5
81.03428	6.5
81.07067	45.4
83.04987	3.5
83.08632	8.2
85.02913	2.2
85.06538	2.8
91.05484	16.0
93.07055	37.6
95.04958	4.5
95.08618	50.7
97.02903	24.3
97.06526	3.4
97.10164	4.5
99.04463	16.4
99.08086	2.2
105.07043	22.5
107.08603	31.5
109.02892	6.9
109.06538	11.3
109.10168	23.7
111.04430	1.2
111.08077	2.8
117.07034	6.5
119.08599	22.7
121.06512	1.0
121.10160	26.9
123.07212	1.9
123.08092	38.4
123.11709	10.1
125.09596	1.5
127.03940	15.4
129.06984	2.4
130.07779	1.1
131.08577	12.6
133.10149	22.0
135.08076	7.5
135.11708	19.6
137.09605	3.4
137.13284	5.6
143.08556	2.3
145.04968	3.1
145.10136	15.0
147.11714	14.1
149.09607	3.3
149.13281	10.0
151.11118	1.9
157.10121	4.2
159.11713	14.9
161.09592	1.1
161.13258	9.2
163.11116	1.8
163.14816	7.1
165.12808	1.5
169.10081	1.5
171.11655	2.7
173.13258	11.4
175.11220	1.6
175.14902	7.3
177.12755	4.1
177.16432	4.7
179.14334	31.6
181.10133	1.0
183.11702	1.6
185.13251	3.2
187.14809	7.2
189.16393	9.1
191.14256	1.4
191.17982	7.8
193.15892	1.4
195.11728	1.2
197.13264	2.0
199.14876	2.4
201.12769	1.9
201.16396	8.2
203.17960	6.4
205.15875	3.3
205.19501	1.5
207.17491	2.6
211.14867	1.2
213.16432	3.1
215.17966	8.1
217.19507	3.1
221.18932	1.2
225.16461	1.5
227.17882	1.5
229.19524	1.8
233.19122	2.1
241.19569	1.4
243.17410	1.0
243.21175	3.9
255.20923	2.0
259.20615	2.5
261.22141	10.7
269.18625	1.0
269.22592	2.4
271.20392	1.2
271.24219	1.1
275.20056	3.6
283.24234	1.1
285.22113	1.9
293.21075	1.4
296.20999	1.0
303.26819	3.4
309.25797	1.0
331.22342	1.9
331.26346	24.8
349.27472	6.3
357.24234	1.5
367.24786	1.6
405.30716	2.2
405.35736	4.6
423.31088	100.0
423.36292	22.8
424.31720	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	423.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.05521	9.7
57.03424	1.3
57.07071	2.3
63.65775	1.2
65.03964	1.7
67.05509	21.7
69.03447	1.6
69.06737	1.7
69.07072	16.8
71.04990	1.5
71.52495	1.8
71.52894	1.7
78.40203	1.2
79.05493	13.9
81.06599	1.8
81.07060	32.9
83.08614	7.5
85.06530	1.2
90.53472	1.3
91.05487	15.8
93.07048	25.1
95.04958	1.9
95.08611	38.9
97.02885	2.8
97.06525	1.4
97.10153	3.2
99.04444	2.0
103.05488	1.3
105.07034	27.1
107.08596	35.9
109.06514	1.3
109.10155	20.6
111.08073	3.0
117.07027	6.1
119.08587	43.3
121.10149	21.4
123.08105	2.1
123.11709	6.4
129.07010	3.1
131.08585	16.6
131.69121	1.2
133.10126	26.8
135.11691	10.3
137.09625	1.8
137.13246	1.4
142.07777	2.3
142.26675	1.3
143.08559	6.9
144.09349	3.5
145.10129	25.7
147.11693	18.9
149.13271	20.0
153.09146	2.2
155.08572	4.3
157.10123	6.6
159.08076	1.9
159.11713	12.2
161.13225	9.6
163.07518	1.3
163.14830	24.1
165.09068	1.4
169.10143	4.8
171.11705	6.1
173.11818	2.6
173.13286	11.8
175.14838	15.0
177.09111	2.0
177.16376	10.4
179.10631	1.4
179.14374	2.9
181.10115	1.9
182.96765	1.3
183.11713	3.9
185.09657	1.6
185.13283	5.8
187.11192	1.8
187.14825	41.2
189.16397	39.8
191.17966	3.8
195.11711	2.1
197.13324	3.1
199.14842	4.1
201.12782	2.8
201.16397	19.7
203.14313	4.7
203.17967	11.9
205.19641	1.4
207.13765	1.5
209.13463	1.6
211.14868	3.3
213.16493	8.4
215.17970	9.1
217.19583	2.3
221.15297	1.5
225.16417	4.0
227.17963	9.5
229.19553	4.7
231.17499	2.4
233.15494	1.9
237.16376	2.2
239.18036	3.8
241.19565	5.2
247.16919	4.0
249.18628	1.9
253.19437	6.8
255.21176	3.6
259.16745	1.4
261.18494	2.1
267.21097	1.6
273.18607	4.8
275.20169	2.4
281.19495	1.2
281.22650	7.0
285.18466	2.4
287.19781	1.5
299.20148	4.8
307.24176	2.1
309.35205	2.1
335.27209	1.5
377.32031	23.5
387.30829	1.5
405.31281	7.3
423.15231	13.2
423.27786	4.7
423.32535	100.0
424.15558	2.0
424.32788	3.4
441.11685	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00657	4.6
55.05510	19.5
57.07071	12.2
60.39879	4.3
62.05687	4.3
64.46691	4.2
66.14252	5.5
67.05514	31.2
69.07079	26.4
69.19452	43.9
69.34678	4.4
79.05506	26.3
81.07066	81.7
83.08634	14.6
89.06049	6.6
91.05478	25.2
93.07052	56.3
95.08620	100.0
97.10145	6.9
105.07037	52.6
107.08621	58.9
109.10167	61.0
117.07066	9.9
119.08598	67.8
121.10163	51.6
123.11714	36.0
129.64445	4.4
131.08612	18.4
131.17036	4.8
133.08649	5.5
133.10149	29.6
135.11708	42.5
137.13266	19.6
140.52785	4.5
143.08545	11.3
145.10118	19.1
147.11688	36.0
149.13245	25.8
156.13187	5.3
157.10126	15.4
159.11699	22.9
161.09644	4.4
161.13231	22.2
163.14874	15.2
171.11746	7.6
173.13284	19.0
175.14813	27.8
177.16403	19.8
185.13326	12.2
187.14856	19.2
189.16432	22.9
191.17964	16.1
199.14850	8.0
201.16464	23.1
203.17963	40.1
205.19531	14.7
213.16460	6.7
215.17981	16.0
217.15973	11.8
217.19499	9.9
225.16403	4.4
227.17827	7.1
229.19563	5.0
243.21225	5.7
255.21153	5.7
269.22690	12.3
269.30319	4.3
272.67865	4.1
281.22583	5.5
298.31821	4.7
309.25839	10.2
405.30411	5.5
405.35641	37.1
423.32153	54.3
423.36298	96.9
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	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01872	2.3
55.05508	17.0
57.03435	2.5
57.07074	6.0
65.03918	1.8
66.68391	2.0
67.05507	41.6
69.03427	8.1
69.06726	2.8
69.07072	29.9
71.05002	2.2
71.08623	2.3
71.53099	3.6
74.04804	1.6
79.05498	26.7
81.03400	4.7
81.07063	65.1
81.38903	2.0
83.04966	4.1
83.08621	13.3
85.02893	2.5
85.06551	2.9
89.61106	1.8
91.05476	26.2
93.06487	3.3
93.07047	52.5
95.04963	5.3
95.08612	86.1
97.02882	2.7
97.06503	2.4
97.10165	8.5
98.64416	2.1
99.04470	2.3
105.04538	2.5
105.07037	53.0
107.08603	80.8
109.06508	2.7
109.10163	45.5
111.08093	7.8
111.11735	4.2
117.07050	9.0
119.08578	44.2
119.09383	3.8
121.06559	2.4
121.10146	55.7
123.08054	5.6
123.11711	21.6
127.11223	1.9
129.07022	6.9
130.07742	2.8
131.08589	21.4
133.10139	53.8
135.08110	3.8
135.11691	45.1
137.13257	6.0
142.07735	1.9
143.08543	11.1
144.09410	2.8
145.10135	40.8
147.11697	45.2
149.09575	2.4
149.13266	43.5
151.14789	3.9
153.12735	2.4
155.08545	4.7
156.09341	3.4
157.10123	19.4
158.10857	3.1
159.11707	43.1
161.13274	23.2
163.14810	27.8
167.14290	2.6
169.10106	7.1
170.10951	2.4
171.11717	21.6
173.09531	2.7
173.13260	42.9
175.11174	2.5
175.14836	20.1
177.12697	2.2
177.16376	23.5
179.14348	4.4
183.11710	9.2
184.12447	3.6
185.13269	17.2
187.14818	22.8
189.12657	2.5
189.16353	16.4
191.14378	3.7
191.17923	7.6
195.11670	2.1
197.13283	7.4
199.14818	16.4
201.12706	2.1
201.16382	18.2
203.14349	1.9
203.17998	12.0
205.15898	2.4
209.13181	4.2
211.14847	8.1
212.15712	2.3
213.16370	11.0
215.14363	2.8
215.17909	16.9
217.15794	2.7
217.19490	5.4
225.16432	6.1
227.17949	7.6
229.19501	16.3
233.18954	2.1
239.17917	2.8
241.19574	10.6
243.21095	16.9
247.20546	5.4
252.18739	2.2
253.19501	4.4
255.21118	5.8
257.22678	4.5
261.22116	14.8
267.21112	11.6
269.22629	31.3
271.20605	2.2
271.24240	6.2
273.22122	3.2
281.22617	5.4
283.24283	12.3
285.22107	36.5
289.21564	2.5
295.24240	3.7
297.25580	3.0
303.23279	3.0
309.25873	5.2
311.27307	9.6
337.28836	3.1
353.28589	2.7
369.24216	7.0
377.32111	2.5
387.25266	5.5
405.26279	4.5
405.35437	37.0
423.27194	9.4
423.36737	100.0
424.36804	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
53.03942	2.7
55.05515	12.6
57.07085	9.0
65.03943	2.0
67.05502	20.4
69.07074	19.0
69.24549	11.3
71.08637	3.0
79.05496	13.9
81.06596	3.0
81.07059	53.0
83.04980	4.7
83.08623	8.2
85.10137	2.0
86.09700	2.3
91.05495	13.4
93.07047	32.6
94.46990	1.5
95.04976	2.4
95.08612	100.0
97.10158	4.4
98.21513	3.9
105.07041	32.1
107.08597	57.9
109.06496	2.7
109.10161	41.0
111.08098	2.4
111.11727	3.1
117.07019	5.6
119.08587	52.2
121.10146	45.1
122.10428	1.6
123.08094	3.3
123.11714	22.0
125.09637	3.7
128.06184	1.7
129.07022	2.9
130.07748	2.1
131.08592	16.2
133.10147	33.4
135.11707	25.7
137.09695	1.7
137.13266	27.9
143.08598	5.5
145.10132	37.1
147.11702	23.1
149.13281	18.3
151.11179	1.6
151.14774	2.1
157.10117	7.2
159.11699	37.1
161.13237	18.2
163.11172	3.8
163.14813	11.6
169.10152	2.9
171.11682	7.3
173.13275	20.5
175.14827	13.2
177.16461	8.9
179.14174	2.6
179.17906	3.2
185.13272	5.0
187.14835	12.6
189.16402	15.8
191.14281	2.1
191.17963	39.8
193.15901	1.7
197.13202	2.8
199.14799	3.9
201.16414	17.9
203.17955	14.3
205.15797	3.4
205.19489	6.2
211.14848	2.8
213.16443	5.5
215.17957	26.0
217.19646	9.5
219.17424	3.9
227.17972	3.7
229.19540	5.3
231.17497	2.5
231.21004	2.7
233.19006	17.4
241.19429	2.2
243.17465	3.5
243.21080	3.7
245.18980	2.7
245.22997	1.9
255.21129	4.6
257.22742	2.1
269.22638	3.0
271.24072	2.5
405.35242	9.7
423.36594	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	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.05511	6.3
56.68867	0.7
57.07082	8.3
65.03929	0.9
66.04778	0.7
66.63425	0.8
67.05508	18.1
69.07073	12.4
69.16383	3.4
69.16814	3.9
70.82721	0.7
71.08648	1.7
74.33639	0.8
79.05485	6.4
81.07063	73.0
83.08615	5.0
83.83628	0.7
85.10172	0.9
89.06017	1.1
91.05486	3.1
93.07050	9.7
95.08613	100.0
97.10181	3.9
105.07033	8.8
107.08603	13.2
109.10162	31.9
111.08083	1.0
111.11707	2.3
117.07013	2.1
119.08559	6.9
121.10158	11.5
123.11718	28.5
125.13268	0.9
129.07011	1.5
131.08556	5.8
133.10150	8.4
135.11713	7.4
136.01569	0.8
137.13264	72.0
138.13600	1.4
142.07774	1.1
143.08585	3.3
145.10130	8.1
147.11713	5.4
149.09534	1.3
149.13280	9.5
151.14824	3.3
153.04634	0.8
156.09328	0.7
157.10127	3.2
159.11719	7.3
161.13245	4.3
163.14787	3.9
169.10153	1.2
170.34680	0.8
171.11679	3.4
173.13232	4.3
175.14822	3.7
177.16373	3.8
179.17960	12.5
183.11673	1.6
185.13271	2.8
186.14014	0.8
187.14828	5.0
189.16368	3.5
191.17964	2.1
193.19588	1.8
197.13286	1.1
199.14821	5.8
201.12744	1.0
201.16402	6.1
203.17946	3.4
205.15909	0.9
205.19519	2.7
211.14912	1.8
213.16464	2.5
215.17960	10.6
217.15996	1.2
217.19559	3.0
219.17470	3.0
225.16447	2.3
227.17953	3.3
229.19542	2.2
231.17397	1.0
243.17570	3.7
243.21101	3.6
245.18901	2.0
245.22676	1.9
253.19589	0.9
255.21095	2.5
257.22617	3.6
267.20990	1.2
269.22632	1.2
271.20465	1.4
271.24200	2.3
273.22101	1.9
281.22720	1.2
285.99954	0.8
358.05023	0.9
395.36859	12.2
396.37003	0.8
405.35242	4.8
423.36713	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	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74090	1.7
53.03950	1.6
55.05311	1.5
55.05515	15.7
55.25359	2.0
57.03423	4.1
57.07081	8.9
59.05002	1.5
67.05508	34.8
68.04469	1.7
69.07072	22.6
71.08620	3.6
71.52269	2.5
73.20029	1.9
79.05495	16.9
81.06593	3.3
81.07061	63.5
82.72348	1.6
83.04973	5.6
83.08631	11.4
85.06538	3.6
85.27704	1.8
91.05482	19.7
93.07053	41.9
95.04980	3.1
95.08614	100.0
97.06488	2.5
97.10184	8.4
98.02187	1.6
99.08101	2.2
105.07037	33.9
107.07875	3.9
107.08598	60.1
109.06509	10.9
109.10168	55.7
111.08067	6.3
111.11678	2.7
117.07011	9.7
119.08592	69.1
121.06469	2.4
121.10154	51.0
122.07281	2.2
123.08075	22.3
123.11726	23.4
125.09643	5.0
129.07016	5.1
131.08578	21.0
133.10133	37.2
135.08107	3.5
135.11693	29.4
137.09552	2.5
137.13246	19.3
142.07791	2.3
143.08569	6.5
144.09367	4.1
145.09058	3.5
145.10136	44.4
147.11694	22.3
149.09598	2.9
149.13287	22.9
151.11206	3.0
151.14835	2.3
155.08548	3.6
156.09399	2.3
157.10141	9.2
159.11713	37.5
160.12418	1.9
161.13306	18.8
163.11174	4.4
163.14830	18.1
165.12756	2.7
169.10193	3.2
171.11678	5.8
173.11797	3.7
173.13239	24.5
175.14850	21.9
177.12770	5.7
177.16374	7.9
179.14326	41.0
179.17856	3.2
183.11693	4.0
185.13280	7.0
187.14801	18.4
189.16431	18.5
191.14371	2.9
191.17960	43.3
193.15875	6.7
197.13225	3.4
199.14810	6.8
201.12674	4.3
201.16420	23.4
203.14401	3.6
203.17970	12.7
205.15834	6.1
205.19571	14.0
207.17456	4.2
211.14793	3.7
213.16382	6.7
215.17984	29.7
217.16002	3.4
217.19516	9.0
218.85403	2.0
219.17429	3.0
219.21257	1.8
225.16347	5.3
227.17937	5.0
229.19469	3.6
231.17381	3.8
231.20976	2.6
233.19019	17.8
243.17485	3.9
243.21094	4.5
245.19043	3.7
255.21214	2.5
257.22635	2.9
269.22476	2.4
275.20285	1.8
297.25613	2.8
303.26843	2.2
311.79391	2.0
331.26254	17.5
332.48203	1.9
349.27371	7.3
364.93085	2.0
365.31970	2.6
395.37128	2.4
405.35751	9.1
423.31253	68.6
423.36273	48.0
424.31226	2.4
429.32080	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	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18633	1.9
53.03956	3.1
55.05515	12.8
57.03420	2.9
57.07086	8.1
65.68409	2.0
67.05502	25.0
69.03432	4.5
69.07064	15.1
69.33622	7.9
69.34052	9.0
79.05504	18.5
79.06810	2.0
81.03400	2.2
81.07059	49.7
83.05002	2.1
83.08621	11.7
85.02943	1.9
85.06615	2.3
91.05489	20.2
93.07054	40.1
95.04981	3.7
95.08615	60.7
97.06531	3.6
97.10191	8.5
105.07030	34.2
107.08605	60.6
109.06491	3.1
109.10168	39.7
111.08109	4.4
111.11761	3.5
113.09662	2.2
117.07059	4.7
119.08589	43.7
121.10156	41.7
123.08067	3.6
123.11723	12.0
129.07071	2.9
130.71385	2.1
131.08568	17.1
133.10143	39.5
135.11707	32.6
135.12602	3.1
137.09563	2.0
137.13333	6.9
139.11145	2.2
143.08556	11.1
145.10124	27.7
147.11691	34.2
149.13278	35.4
151.14911	3.7
155.08568	2.8
157.10172	13.4
158.11031	3.2
159.11700	30.8
161.13258	15.4
163.11208	3.0
163.14828	24.0
163.15916	2.2
166.93640	2.3
167.14380	3.3
169.10162	3.6
171.11676	19.1
173.13293	33.2
175.14806	13.5
177.16400	22.8
177.17598	2.0
179.62822	2.1
183.11797	6.3
184.12558	3.2
185.13223	10.8
187.14827	18.7
189.12698	2.4
189.16388	15.2
191.18036	4.8
197.13387	6.6
199.14810	17.1
201.12752	2.4
201.16425	12.2
203.18089	8.5
207.17567	2.3
210.28708	2.2
211.14890	5.6
213.16531	6.8
215.17973	15.2
217.19647	7.5
225.16475	3.7
227.18129	5.4
229.19498	11.6
231.21078	2.6
237.16402	2.2
241.19704	6.8
243.21101	16.9
247.20692	7.4
253.19583	2.9
255.21158	4.8
257.22784	6.4
261.22086	16.6
267.21088	13.1
269.22678	32.4
269.25177	2.4
271.20999	2.4
271.24405	8.4
273.22449	2.4
281.22809	7.2
283.24106	10.8
285.22165	34.9
295.24225	3.3
297.26035	2.6
307.51529	2.3
309.25931	4.6
311.27264	12.7
323.27664	3.7
327.23566	2.7
337.28894	3.0
369.24393	3.5
377.32144	2.6
405.26968	3.5
405.35425	34.0
423.27466	6.4
423.36530	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	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.05512	14.7
57.03430	2.3
57.07074	3.8
60.99348	1.2
62.46790	1.2
65.03947	2.0
67.05510	35.7
69.03431	4.1
69.06731	2.7
69.07072	27.2
71.04999	2.0
71.52918	1.7
79.05495	25.5
81.03419	7.2
81.07063	56.6
83.05006	3.4
83.08616	9.0
85.02892	1.4
86.14957	1.3
89.71834	1.3
91.05489	22.7
93.07053	49.0
95.04990	2.1
95.08613	72.9
97.06557	2.5
97.10173	5.6
99.08036	1.9
105.07044	39.3
107.08605	55.9
109.02911	1.5
109.06520	4.5
109.10162	53.3
111.04469	1.8
111.08118	3.7
111.11739	1.9
115.05478	1.5
117.07025	9.0
119.08584	44.3
121.06509	1.8
121.10149	42.6
123.08078	2.8
123.11712	20.8
125.09643	1.8
127.03932	1.6
128.06216	1.5
129.05466	1.4
129.07024	3.8
131.08583	20.8
133.10139	37.9
135.07939	2.1
135.11705	32.1
137.09508	1.6
137.13258	15.0
141.06952	1.5
142.07811	2.6
143.08551	9.5
145.10133	29.1
147.11693	33.3
149.09511	2.1
149.13283	21.4
151.11209	1.6
151.14792	6.3
155.08626	2.8
156.09352	1.9
157.10149	14.4
158.10782	1.6
159.08054	2.4
159.11697	29.8
161.13263	23.8
163.14830	12.2
165.12730	4.2
169.10126	5.2
171.11725	11.2
173.11800	2.8
173.13226	19.9
175.11224	4.3
175.14845	17.3
177.12810	2.2
177.16400	12.0
179.14291	5.5
183.11681	5.2
185.13214	8.9
187.11148	1.7
187.14822	16.4
189.12741	2.8
189.16399	32.7
191.14320	3.6
191.17928	15.5
195.11708	3.5
197.13239	6.3
199.14835	5.9
201.12703	5.2
201.16386	15.3
203.14403	2.3
203.17972	16.6
205.15866	4.0
205.19533	2.7
207.17410	3.1
211.14873	3.6
213.12801	1.9
213.16357	7.8
215.14290	3.3
215.17943	14.5
217.15912	6.9
217.19545	6.0
219.17551	3.8
223.14857	1.6
225.16481	3.0
227.17998	2.8
229.16014	1.6
229.19499	5.1
231.17464	6.6
231.21204	2.4
233.19064	3.9
239.17926	3.1
241.15825	1.6
241.19519	5.6
243.17221	1.6
243.21140	6.2
245.19012	1.8
253.19629	3.2
255.21193	3.4
257.19116	1.6
257.22638	3.9
259.20639	3.2
261.22137	3.7
267.17862	1.6
267.21127	4.5
269.19153	2.6
269.22653	3.4
271.20657	4.3
273.22156	4.0
281.22720	2.1
283.20810	2.8
283.24072	2.5
285.22208	5.3
295.24426	2.9
297.21997	1.6
297.25647	4.6
299.23639	3.8
303.23157	3.6
307.23941	1.9
309.25977	2.6
311.27213	1.9
323.23444	1.8
327.26889	3.2
335.27203	1.6
341.24731	1.5
367.30234	1.8
369.24335	2.3
377.32004	2.3
381.31702	2.0
387.25211	5.8
387.29987	2.3
405.26376	4.7
405.31299	5.2
405.35880	13.1
423.36755	100.0
424.36719	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	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47847	2.9
55.05511	9.7
57.07082	4.4
67.05507	23.2
69.07069	19.3
71.08624	5.4
71.52148	5.5
74.03779	2.6
78.03812	3.2
78.56567	3.0
79.05495	14.4
81.07063	55.3
83.08631	7.7
91.05478	17.0
91.61990	2.7
93.07059	35.1
95.08616	66.5
97.06462	3.2
97.10180	7.0
103.05508	3.4
105.07051	36.5
107.08601	56.9
109.10165	43.1
111.11700	3.0
117.07016	7.3
119.08604	38.7
121.10153	42.5
123.11726	17.8
129.07056	5.1
131.08588	28.5
133.10162	31.0
135.11703	30.3
137.13274	8.2
143.08591	11.6
143.15239	3.0
145.10143	39.1
145.11201	5.1
147.11702	25.7
149.13297	19.2
157.10175	13.4
159.11713	36.8
161.13333	24.0
163.14931	17.0
171.11731	7.6
173.13246	23.6
175.14828	13.3
177.16423	18.3
179.14195	4.5
185.13269	6.5
187.14851	17.3
189.16428	13.1
191.14355	6.5
191.17964	14.3
197.13271	5.1
199.14888	4.8
201.16478	15.7
203.18004	9.0
205.19461	5.4
207.17516	4.0
211.14883	4.1
213.16490	6.2
215.17967	36.4
217.19600	8.6
227.17976	8.9
229.19572	10.4
239.14973	3.2
239.17838	3.3
241.19550	4.6
243.21080	9.2
245.18958	6.4
253.19550	3.4
255.20932	19.2
267.21063	3.8
269.22623	11.6
271.24112	4.7
283.24353	8.3
311.23935	4.0
335.59238	3.3
363.30338	3.9
405.35498	17.7
423.36426	100.0
437.47998	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	424.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
53.03945	3.6
55.01871	0.8
57.03437	1.5
69.03436	9.4
70.06607	0.6
71.05004	1.4
71.43147	0.7
73.02914	0.9
78.03450	12.2
78.03846	1.2
79.05508	0.9
80.05022	2.2
81.03425	16.7
85.02898	7.4
91.05476	3.7
93.07053	4.9
95.04966	2.0
95.08591	0.5
96.04498	2.1
97.02909	4.6
97.06557	0.6
99.04456	3.1
102.03770	0.9
103.03947	0.7
103.05453	1.1
105.04465	0.7
106.02924	56.8
107.08540	0.6
109.02885	9.8
121.02905	0.7
121.06516	17.3
121.07389	1.0
124.03960	100.0
125.04329	1.3
127.03912	6.0
139.07549	0.8
141.09116	0.6
145.04929	0.7
149.07466	1.1
150.07735	0.9
164.07112	0.7
166.05002	1.4
196.06026	0.8
224.68080	0.6
232.06033	3.6
250.07112	21.0
268.08167	31.1
286.09201	4.2
293.11731	0.7
294.11874	3.2
406.14917	22.1
407.15024	0.7
424.16031	6.6
424.21411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01880	1.5
56.96339	0.9
56.96567	10.7
57.03445	1.9
61.02932	1.7
67.05487	1.1
69.03426	4.6
69.37000	6.2
70.06592	1.1
73.02904	2.3
74.74741	0.7
74.82042	0.8
74.97582	1.4
79.05489	3.3
81.03411	2.0
81.07050	1.6
84.96049	1.8
85.02914	15.9
86.97605	1.8
87.04456	1.4
89.03880	0.7
91.03957	0.9
91.05486	5.2
92.74519	0.8
93.07056	3.7
95.04990	1.0
95.08606	1.3
97.02911	6.4
98.97611	7.3
103.05464	3.2
105.07021	2.3
106.04158	1.1
107.04977	4.9
107.08644	1.0
109.02863	1.0
109.06528	2.4
110.97587	1.7
111.04416	0.9
114.97048	1.0
116.00214	0.8
116.75786	0.8
116.98627	2.5
119.04958	1.7
120.05793	1.0
121.06528	11.9
123.04424	1.9
123.08059	1.7
124.07565	0.9
126.97108	1.1
127.03926	2.9
128.98637	1.6
129.02283	2.1
131.04935	4.8
132.98114	3.9
133.02834	0.8
133.98485	0.8
134.03613	1.3
135.04434	1.2
136.06387	0.9
136.07579	1.6
137.05988	16.8
140.04692	3.2
142.07214	0.8
145.02878	1.2
145.04944	1.1
147.03305	3.2
147.04475	2.5
148.05159	1.4
149.06004	13.2
150.99164	5.9
151.99451	0.8
155.06998	2.0
158.99721	2.8
159.03250	0.9
159.04385	3.9
163.03929	3.8
164.05930	0.9
165.05481	1.4
167.07059	100.0
168.07507	1.0
169.00241	1.1
170.99648	0.9
176.04536	0.9
177.00708	1.8
177.05490	32.5
186.03568	1.0
191.07072	1.7
193.08656	1.9
194.05707	0.9
197.08141	1.3
202.04961	0.8
205.03732	0.9
208.99699	2.1
209.08112	25.8
211.09734	4.7
212.66364	0.8
213.04086	1.0
219.01706	3.4
227.09158	67.6
237.02765	1.3
249.02870	3.1
250.03209	3.4
253.08275	1.0
254.09164	2.0
272.25952	0.9
285.02899	0.9
298.07068	1.1
303.04044	0.9
307.03574	1.7
308.03616	2.0
343.10764	1.7
345.10071	1.1
361.11557	1.3
424.11484	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51395	0.5
55.05507	0.9
57.03421	1.4
57.07074	0.4
67.51707	0.5
69.03427	1.8
69.07056	1.9
71.52186	0.5
71.52612	0.6
75.92913	0.5
79.05486	0.9
81.03411	0.9
81.07063	3.0
83.04964	0.9
83.08608	0.7
85.02888	2.8
85.06538	0.7
91.05440	0.8
93.07013	1.5
95.08617	2.7
96.08154	0.8
97.02903	1.1
99.04449	0.7
105.07011	1.4
107.04936	1.0
107.08612	1.6
113.06033	0.6
117.06997	0.9
119.08553	1.0
121.06495	9.3
121.10138	0.6
123.11706	4.7
123.65656	0.5
124.07595	5.9
131.08553	0.6
133.06451	0.7
133.10072	0.7
135.08037	0.6
135.11739	0.8
141.12778	0.6
143.08568	0.8
145.06467	0.8
145.10141	0.7
146.06004	2.2
147.08022	1.4
147.11655	1.3
149.13283	1.1
157.06487	1.4
158.07283	1.4
159.08072	3.2
159.13835	0.9
163.14861	1.2
164.07068	0.9
171.08049	3.1
172.08847	0.9
173.09662	3.0
173.13252	2.5
174.05525	1.4
181.10132	0.8
184.08772	2.4
186.09142	0.8
187.09859	3.3
188.10704	1.2
189.09129	1.0
189.12700	2.4
191.14262	2.9
197.08253	0.6
198.09140	0.7
199.07576	1.5
199.11171	7.9
201.09221	0.8
201.12822	4.4
209.09572	1.1
209.15349	5.8
212.08379	0.6
214.08597	2.3
215.09425	18.0
216.10214	2.3
216.13812	2.9
217.12274	2.7
217.19165	0.5
226.12231	1.1
227.10681	5.2
227.16447	10.4
229.10953	2.7
234.14914	3.1
244.13341	36.9
245.11740	3.9
262.14389	100.0
263.14655	1.0
286.14532	0.6
300.08414	0.8
371.59363	0.6
407.90881	0.5
424.19705	3.2
425.20499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38705	0.4
55.05527	0.5
56.81794	0.5
57.03422	1.3
59.95984	0.5
62.84933	0.4
69.03429	0.9
70.06555	0.5
71.10233	0.9
81.07037	1.2
85.02905	3.0
87.00804	0.6
91.05497	0.7
93.07035	0.8
96.08127	0.6
97.02890	1.0
102.10615	0.5
105.01936	0.9
107.05014	1.2
118.86916	0.5
121.06520	8.1
123.11684	0.7
124.07600	5.6
127.03912	1.5
133.06512	0.8
141.12737	1.5
145.06462	0.9
147.08051	1.4
157.06514	1.7
158.07278	1.3
159.08063	3.0
161.09596	0.7
164.07076	0.5
171.08090	3.0
172.08881	1.3
173.09631	3.1
184.08797	2.4
187.09895	3.3
189.12756	2.0
198.09105	0.9
199.07573	1.7
199.11179	9.1
201.09224	1.2
201.12836	4.6
208.09665	1.1
209.09550	0.8
212.08330	0.7
214.08687	3.1
215.09427	17.4
216.08171	0.6
216.10251	2.5
216.13837	3.4
217.12218	2.6
226.12320	1.7
227.10707	4.9
229.10971	4.3
234.14870	2.3
244.13341	37.0
245.11649	2.9
262.14392	100.0
263.14706	1.4
290.07413	0.6
303.50290	0.5
304.46066	0.5
310.54993	0.5
320.76791	0.6
424.20032	2.8
425.20511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
54.54143	0.6
55.01870	2.2
55.05513	1.2
57.03437	27.5
57.07062	1.5
57.32429	0.7
59.05003	1.3
61.02919	2.0
61.03237	0.6
67.05511	3.9
68.99792	1.0
69.03429	8.4
69.07066	9.4
69.67249	1.2
69.67638	1.9
71.04996	3.8
73.02916	2.3
74.19272	0.6
79.05492	0.8
81.03413	7.5
81.07059	26.0
81.07536	1.5
83.08628	2.2
85.02908	24.3
85.06534	4.8
87.00832	8.6
95.08612	1.9
97.02884	7.8
98.21428	0.9
99.04458	3.3
100.67022	0.6
104.74052	0.7
105.01875	7.1
109.02883	7.7
117.01868	1.3
123.11707	49.9
127.03916	13.4
129.01817	1.0
137.58713	0.6
141.12744	99.9
145.04971	5.0
159.02853	3.2
159.13809	100.0
173.69543	0.6
175.91118	0.6
211.15622	0.6
231.04945	1.7
234.70598	0.8
425.20148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.9
55.01883	2.3
55.05519	1.5
57.03440	23.0
57.07084	1.4
59.05019	1.2
59.46928	0.6
60.03412	0.6
60.18223	0.6
60.39088	0.6
61.02933	1.9
67.05499	3.4
68.99801	1.0
69.03427	7.1
69.03719	0.6
69.07069	8.3
69.37895	5.6
71.05000	4.3
72.56270	0.6
73.02925	1.9
79.05498	1.6
81.03425	8.2
81.07063	24.4
81.07536	1.2
83.08631	2.6
85.02911	20.6
85.06545	4.2
87.00832	11.1
95.08620	2.0
96.34408	0.6
97.02895	7.7
99.04481	4.2
105.01873	6.9
109.02898	7.0
117.01850	0.8
121.10126	0.8
123.11717	49.7
127.03921	11.3
139.11174	0.8
141.12752	93.1
142.13083	0.8
145.04971	4.0
159.02892	3.3
159.13815	100.0
160.14082	1.4
172.35713	0.6
213.04163	0.8
231.05017	2.5
381.40045	0.6
424.20416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10840	1.6
52.12248	1.5
53.03945	2.5
53.30760	1.5
54.91510	1.5
55.05516	15.1
57.83553	1.6
59.05000	2.0
61.01140	1.6
66.55366	1.5
67.05506	3.9
67.85702	1.4
69.03431	4.3
69.07066	4.9
70.46486	2.3
70.46819	3.5
70.82454	1.4
71.04989	3.3
72.08150	1.5
79.05499	4.7
81.03428	3.0
81.07058	7.1
83.04974	7.1
83.08619	10.6
84.08162	2.1
85.02911	8.4
85.06541	2.6
91.05494	3.4
93.07043	16.5
94.44804	1.4
95.04989	16.5
95.08610	6.1
97.02908	1.9
97.06532	5.9
98.20818	2.0
99.04453	5.3
99.08112	1.6
105.07047	4.8
107.08602	23.4
109.06523	5.1
109.10174	6.6
111.08097	3.1
113.06043	1.9
113.09663	1.8
114.42062	1.6
115.07570	10.9
116.07052	1.7
119.08610	6.6
120.08088	1.7
121.10152	64.0
123.08082	5.5
123.11701	2.8
125.09622	2.4
127.03972	2.3
131.08551	2.8
133.10132	10.0
135.11714	3.4
137.05978	4.1
141.09126	1.5
145.04948	2.3
147.04372	2.1
147.11673	2.5
149.13257	3.9
151.07516	1.7
151.11218	12.5
153.09126	9.7
163.03906	3.5
163.14836	17.6
164.07069	4.0
167.14359	15.2
168.57022	1.7
173.13275	9.8
175.14801	4.9
176.07185	1.8
191.14330	23.5
197.11780	5.3
209.15384	100.0
214.16457	1.5
227.16412	10.7
244.09705	4.0
262.10803	10.2
345.76379	1.6
360.47855	1.5
424.15787	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	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.05512	11.6
67.05501	2.3
69.03417	1.8
69.07069	4.0
69.77372	8.8
70.06609	2.4
74.09721	1.5
79.05485	2.7
81.07055	4.8
83.04977	7.0
83.08614	10.5
85.02905	2.6
85.06510	2.2
91.05463	1.7
93.07049	9.6
95.04951	9.7
95.08611	3.6
95.21905	1.6
97.06509	4.3
98.20865	3.1
98.74832	1.4
99.04462	6.1
105.07044	4.1
106.08944	1.4
107.08602	16.8
109.06527	4.8
109.10151	4.8
111.08073	2.7
111.59279	1.6
115.07551	5.4
119.08567	4.8
121.10150	43.4
125.09621	2.6
133.10097	6.3
135.11699	2.3
136.58572	1.5
147.11652	2.8
149.13254	2.5
151.11179	15.1
153.09099	4.6
163.14865	11.5
167.14317	16.2
173.13278	6.1
175.14856	2.3
191.14297	15.3
209.15370	100.0
227.16391	9.2
244.09636	1.6
335.09277	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37249	0.3
58.99851	1.1
60.85962	0.3
66.06299	0.4
68.22007	0.3
68.64076	0.3
69.44791	1.0
69.45213	1.5
70.99855	2.6
77.00906	2.6
81.03407	0.4
82.99821	2.0
89.00896	4.9
93.20132	0.3
94.99847	0.5
95.01877	0.4
98.10139	0.3
98.97572	0.3
101.00881	9.0
107.01923	0.6
109.02855	0.4
112.69366	0.3
113.00854	2.4
115.02406	1.4
117.00357	0.6
119.01930	6.1
127.02409	3.9
129.00285	0.6
131.01904	2.2
133.03450	0.9
135.01375	1.4
136.97983	0.3
139.02408	7.4
143.00221	0.4
143.01898	8.2
145.03476	6.5
153.02321	0.4
155.01892	5.2
157.03474	16.0
159.01372	0.7
161.02971	7.3
167.01889	2.6
169.03465	1.4
171.04927	0.4
173.02971	3.9
175.04535	1.4
177.00880	0.3
185.02945	9.7
187.04504	0.9
197.02914	0.7
203.03999	14.0
215.03973	0.5
216.44438	0.4
219.01732	0.4
220.06581	0.3
221.05069	42.0
222.05164	0.6
234.02269	0.5
239.06114	24.3
240.06169	0.7
244.06715	0.3
245.05099	4.6
249.04637	0.8
263.06128	99.2
264.06293	2.3
264.08722	0.4
271.81906	0.4
275.06116	100.0
276.06265	1.8
277.07718	2.1
281.07315	0.5
287.06140	2.1
289.07803	0.6
293.06955	0.6
299.06161	1.9
305.07153	8.9
307.08759	1.3
317.07309	0.6
335.08167	0.9
347.08203	1.4
365.09308	6.9
383.10413	5.5
425.11401	57.2
426.11597	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07078	1.6
69.66930	5.8
81.07069	5.5
91.05481	1.5
95.08591	2.7
98.21519	1.7
105.07001	1.4
109.10191	1.2
119.08546	1.4
127.00109	1.0
154.48363	1.5
165.09166	5.1
175.07620	2.0
179.96623	1.1
181.35262	1.1
201.03772	1.2
203.05357	2.4
203.10748	2.8
227.05362	1.3
243.04768	10.3
245.06468	6.1
287.03751	82.1
289.02017	1.9
289.05310	64.9
381.18805	5.9
425.17847	100.0
426.18265	2.4
432.63394	1.2
437.67947	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
53.39572	1.0
55.01859	1.2
56.12455	0.9
57.03421	1.4
57.18506	0.9
65.03943	2.5
67.05500	2.9
69.03442	4.8
70.06591	1.2
71.04985	1.5
71.50826	0.7
72.08144	0.8
78.03442	2.5
79.03791	1.0
79.05481	3.4
81.03427	7.1
81.07043	3.4
83.05003	1.1
85.02918	6.8
85.06544	3.8
91.05473	2.9
93.07069	1.6
95.04993	7.2
95.08606	1.3
97.02906	5.6
98.97578	1.6
99.04467	1.5
105.07033	2.8
106.02913	8.8
107.03260	3.6
107.04952	0.8
107.08604	5.3
109.02872	4.1
110.03218	1.0
111.04427	1.6
115.68588	0.9
117.07003	2.4
119.08568	1.5
121.02876	100.0
121.06517	2.5
122.06831	1.3
123.04476	1.5
123.08019	1.2
124.03971	17.8
125.02358	1.6
125.04311	8.0
125.09643	2.4
127.03931	3.8
129.07002	1.0
135.08067	2.4
137.09662	1.4
139.03900	13.5
141.12732	1.7
143.03404	1.5
147.04468	1.3
149.09668	1.4
153.09090	1.3
159.42871	0.9
164.07076	5.1
173.09601	0.9
181.04948	1.1
191.10748	1.0
197.09587	1.0
215.10654	1.6
223.06030	1.4
225.53168	1.1
233.11746	3.0
250.07182	2.0
251.07408	2.9
251.12827	2.0
258.75787	0.9
265.06985	4.3
268.08160	4.0
269.08511	5.3
269.13843	1.7
271.08997	1.1
283.08121	10.7
294.74979	1.0
295.11633	1.4
299.12680	0.9
346.39194	0.9
361.17566	4.0
407.15158	4.9
425.08444	1.5
425.14313	4.6
425.18021	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2071
Annotation	Obscurinervidine
Peak:m/z	Relative Intensity
52.73070	0.4
55.01859	0.4
56.88310	0.3
62.42534	0.5
69.03428	0.6
69.07076	6.9
71.08594	0.4
71.52566	0.4
74.21657	0.4
85.02897	0.6
85.06525	1.4
91.05490	1.1
93.07031	0.9
94.35791	0.4
97.06516	1.6
103.05460	3.9
105.07017	0.4
107.04963	1.0
109.02893	0.4
109.06519	0.4
118.06548	7.2
119.07332	6.2
120.08108	28.3
128.04935	2.1
130.04991	0.8
131.04924	1.3
132.08099	1.8
135.08038	0.8
137.05966	0.7
146.06017	17.0
163.03981	0.6
164.07071	100.0
165.07426	1.5
166.08632	3.9
172.59383	0.4
192.06680	0.5
200.11588	0.4
203.07092	0.4
215.09451	0.6
216.09767	0.7
217.10527	0.4
227.20169	0.4
244.13371	1.0
245.13737	1.5
262.14365	1.4
263.14740	3.4
296.12875	1.1
379.20276	1.1
425.20749	86.2
426.21213	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	425.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50312	1.9
53.03949	3.4
55.01865	5.7
55.05507	12.9
57.03442	3.4
57.07076	6.3
57.84877	3.1
67.05503	14.9
68.99788	4.9
69.03430	20.6
69.07065	16.2
69.46171	18.0
71.05001	3.0
79.05500	12.5
81.03411	12.5
81.07051	30.8
83.04948	3.5
83.08631	3.3
85.02908	17.1
85.06551	2.8
87.00856	6.0
87.04468	2.7
91.05466	12.5
92.43369	2.0
93.07041	28.0
95.04965	5.8
95.08609	100.0
96.08968	2.7
97.02908	8.8
97.06560	3.3
97.10210	2.4
97.60990	2.1
98.20754	4.4
99.08105	4.1
105.01853	3.7
105.07036	28.0
107.04975	3.1
107.08592	40.4
109.02894	5.9
109.06497	7.2
109.10159	14.1
111.04447	3.8
111.08072	3.2
113.09637	3.7
115.03928	7.8
117.06998	6.6
119.08582	29.6
121.06512	2.8
121.10146	72.9
123.04427	2.7
123.11712	70.4
125.09716	2.4
127.03947	11.6
128.06187	2.3
129.07065	2.8
131.08585	8.4
133.10127	28.7
135.08070	4.9
135.11703	14.9
137.09619	2.7
139.07503	3.3
143.08548	5.8
144.26813	2.7
145.10127	10.9
147.02875	2.9
147.04440	3.8
147.11713	10.8
149.09692	3.1
149.13211	5.6
151.07523	6.3
155.08540	2.7
157.10132	9.7
159.02951	4.3
159.08015	4.9
159.11682	12.2
161.09631	4.4
161.13295	8.5
163.14870	4.0
165.09224	2.6
167.08600	2.6
169.10088	5.2
171.11734	7.4
172.08841	3.0
173.09639	5.0
173.13283	9.4
175.14833	34.9
177.12660	3.1
177.16383	35.9
181.08548	3.1
183.11707	5.0
185.09625	4.1
185.13333	4.2
187.11172	3.6
187.14877	11.8
187.16232	2.5
189.12700	3.5
189.16431	7.1
191.14413	2.1
197.13284	2.7
199.14771	4.9
201.04018	2.6
201.16507	4.7
209.13303	5.3
211.11272	4.4
211.14986	3.1
213.16328	4.6
217.15811	3.9
219.17381	5.7
227.14279	4.7
229.15851	5.6
231.05043	3.6
231.17357	4.1
239.17941	3.1
241.15715	2.7
257.19080	4.1
267.17557	5.6
285.18570	17.4
303.19550	18.6
317.26736	2.4
321.20651	3.6
389.19531	11.3
407.20728	24.0
425.21497	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	425.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
53.16576	2.0
54.41078	2.2
55.01867	8.6
55.05529	12.6
57.03442	4.9
57.07078	3.1
61.77965	1.9
62.76769	2.0
65.03915	2.5
67.05510	19.1
69.03094	2.3
69.03434	27.1
69.07076	13.9
71.04974	5.5
73.02902	3.5
78.40955	2.3
79.05513	16.4
81.03421	17.8
81.07059	38.0
83.04979	5.7
83.08613	5.5
85.02918	29.3
85.06563	3.5
87.00838	13.0
91.05473	15.1
93.07061	27.2
95.04959	8.6
95.08617	100.0
97.02897	15.7
97.06540	5.6
97.10182	2.8
99.04452	6.1
99.08093	6.0
103.03938	4.0
103.05481	2.6
105.01866	6.1
105.07045	31.1
107.04948	5.4
107.08604	40.2
109.02887	9.5
109.06528	6.2
109.10155	14.0
111.04474	5.1
111.08067	2.6
113.09641	7.7
115.03927	10.1
115.05457	3.7
117.07001	7.1
119.07823	3.6
119.08598	54.8
121.06520	5.3
121.10158	54.0
123.08086	5.2
123.11726	31.2
127.03984	11.5
129.01860	3.9
129.06981	5.0
131.08560	13.2
133.06534	4.6
133.10143	55.9
135.08087	4.2
135.11708	16.7
137.05974	5.7
139.75171	2.5
141.06941	2.6
142.07759	2.5
143.08562	7.5
145.04936	3.0
145.06540	2.3
145.10117	17.9
147.02977	2.6
147.08089	3.3
147.11708	15.5
149.09608	3.6
149.13223	5.6
151.07555	4.0
155.08504	5.1
156.09306	3.2
157.10138	11.9
159.02873	6.4
159.08102	3.9
159.11722	15.0
161.09625	6.2
161.13289	10.6
163.07600	3.6
163.11169	2.9
163.14804	10.0
165.09094	2.7
169.10107	5.7
171.02910	3.6
171.11676	6.9
172.12465	2.6
173.06134	2.6
173.09624	7.1
173.13295	11.9
175.11282	4.9
175.14844	93.1
177.05516	4.6
177.09219	4.4
177.16405	32.4
181.08614	4.1
181.10046	3.1
183.11707	8.2
185.13234	7.1
187.11223	4.4
187.14850	17.0
189.03949	4.2
189.12770	2.8
189.16428	17.5
193.15933	3.5
197.13266	3.7
199.14876	6.9
201.12738	4.9
201.16415	7.6
203.14363	3.8
205.08626	3.3
205.15878	3.2
209.13303	6.7
211.11243	2.9
211.14893	2.7
213.16446	3.6
215.14359	2.8
217.15918	8.5
219.17453	9.8
227.14325	6.7
229.12305	2.8
229.15849	5.9
231.17661	2.5
239.17941	3.2
241.16051	2.7
243.17474	5.1
245.15369	3.0
247.16957	2.5
249.08983	2.4
267.17496	10.8
285.18542	17.7
303.19489	13.2
316.18967	2.1
321.20493	4.0
389.19666	13.6
407.20691	30.4
425.21664	21.0
446.21210	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
55.01865	6.2
55.05508	16.6
57.03440	5.9
57.07083	4.0
61.02934	4.0
67.05509	16.1
69.03432	27.5
69.07073	21.8
71.04984	5.3
71.52227	3.0
79.05495	14.1
81.03413	19.7
81.07060	35.0
83.04974	5.2
83.08627	13.2
85.02909	34.4
85.06515	3.5
87.00833	15.5
91.05479	17.2
93.07046	38.5
95.04967	9.7
95.08608	81.6
97.02901	11.3
97.05947	2.2
97.06529	4.5
97.10158	6.8
99.04438	7.0
99.08076	7.3
103.03947	3.9
105.01868	5.3
105.07034	31.0
106.41248	2.1
107.04975	3.1
107.08592	69.3
109.02895	18.9
109.06522	3.8
109.10168	18.3
111.04455	3.9
111.08051	4.3
113.09660	2.2
115.03957	4.8
117.07050	5.4
119.08578	31.3
121.06538	5.2
121.10152	100.0
123.08054	7.3
123.11704	32.3
125.09637	2.9
127.03923	31.5
129.07036	4.5
131.08585	10.4
133.06531	3.2
133.10136	31.8
135.08118	4.5
135.11694	39.1
136.07639	3.1
137.05983	7.3
137.09668	3.6
139.03928	3.1
143.08583	8.5
145.04895	2.1
145.06532	2.5
145.10190	11.6
147.08031	4.5
147.11732	14.9
149.09644	3.8
149.13255	12.6
151.07420	2.5
155.08542	4.0
157.10147	9.3
159.02972	2.5
159.08087	3.9
159.11739	13.7
161.09650	6.6
161.13248	9.5
163.07523	3.7
163.11229	3.6
163.14832	9.4
169.04910	2.7
169.10121	5.5
171.11697	8.4
173.09673	3.4
173.13251	10.1
175.07524	7.1
175.11140	4.2
175.14825	24.5
177.12830	3.7
177.16397	89.6
179.08655	2.9
181.08658	3.0
181.10178	3.0
183.11676	4.0
185.13275	6.2
187.11249	2.5
187.14757	12.0
188.68214	2.4
189.16403	7.9
199.11311	3.6
199.14807	7.2
201.12875	2.8
201.16423	6.4
205.12128	2.5
205.15953	4.5
207.17473	2.5
209.13322	6.1
213.03902	2.6
217.15924	6.3
219.17331	5.0
227.14302	4.9
229.12222	3.6
231.05003	5.3
231.17557	3.7
235.16927	2.6
245.15544	3.3
249.06108	2.4
261.18375	3.8
263.12857	6.4
267.17529	5.6
285.18375	15.5
303.19519	11.9
328.25745	2.9
389.19543	12.1
407.20779	12.4
425.21747	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	425.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.01856	6.0
55.05517	18.7
56.08133	1.9
57.03411	4.0
57.07061	3.3
60.77641	2.0
61.02921	4.1
65.03921	2.9
67.05507	31.8
68.95860	2.3
68.99780	4.7
69.03099	2.3
69.03431	26.5
69.07071	22.2
69.59567	14.2
71.01351	2.9
71.04977	4.6
73.02908	2.3
79.05151	2.0
79.05499	23.4
81.03416	12.8
81.07059	53.6
83.04970	8.9
83.08615	7.0
85.02452	2.5
85.02914	35.4
85.06530	6.8
86.35870	2.0
87.00822	13.3
87.04470	3.7
91.05463	20.5
93.06503	2.6
93.07051	43.0
95.04943	10.7
95.08614	100.0
97.02909	15.6
97.06541	5.3
97.10142	4.5
98.36989	2.2
99.04442	5.5
99.08087	5.7
103.03892	2.6
105.01865	4.8
105.06403	3.4
105.07043	42.2
107.04968	3.6
107.08604	42.4
109.02874	11.0
109.06519	10.6
109.10161	45.4
111.04424	6.3
111.08095	3.6
111.11724	4.2
113.06024	2.3
115.03922	6.7
117.06998	7.8
119.08588	45.5
121.06460	10.8
121.10145	35.9
123.08057	5.6
123.11716	19.4
125.05995	4.7
127.03894	8.0
128.06192	3.6
129.01822	4.2
129.06976	8.2
130.07683	2.3
131.08578	18.8
133.10141	22.1
135.08028	6.9
135.11708	24.0
137.05989	4.5
137.09590	7.3
137.13281	2.5
138.50700	2.1
139.11224	2.9
142.07709	2.8
143.08562	13.4
145.06456	3.3
145.10136	26.5
147.08038	7.6
147.11682	19.3
149.09654	4.4
149.13203	12.5
151.07513	3.7
155.08522	5.1
156.09326	4.0
157.10150	12.3
159.02924	4.8
159.08034	6.3
159.11705	26.4
161.09602	5.5
161.13272	22.9
163.11160	4.9
163.14789	5.5
165.09102	6.5
167.08493	3.4
169.10152	7.6
171.08052	3.1
171.11659	6.3
173.09628	6.2
173.13278	21.5
175.11177	4.9
175.14844	31.1
177.12827	4.8
177.16382	30.1
179.07034	3.7
179.14278	4.8
181.10150	4.7
183.11665	6.5
185.09656	2.4
185.13185	4.1
187.11194	3.0
187.14841	10.0
189.03871	4.6
189.12762	5.1
189.16440	11.5
191.10683	7.2
193.10158	2.4
193.15952	2.6
195.11739	3.3
197.13219	4.5
199.11179	2.8
199.14835	11.2
201.03888	5.4
201.12634	3.8
201.16423	14.5
203.14293	3.7
205.15866	8.7
207.17438	4.1
209.13388	4.9
211.11369	3.1
211.14810	5.4
213.16318	4.4
215.14272	6.9
215.17973	2.5
217.15866	7.3
219.13898	2.0
219.17365	12.8
225.12958	2.7
225.16388	3.5
227.14293	6.0
229.15712	2.9
231.17371	5.0
241.15875	6.2
243.17500	5.8
245.15407	5.7
249.18633	2.5
250.23120	2.3
252.04630	2.2
257.18994	4.0
259.16885	6.4
261.18524	2.5
267.17453	8.4
285.18536	19.6
303.19565	25.9
321.20508	4.1
371.18390	3.0
389.19498	15.9
407.20642	24.3
425.21701	16.8
425.34091	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	425.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83469	2.9
53.03940	3.1
55.01872	10.7
55.05513	18.9
57.03441	6.4
57.07079	5.5
59.66940	2.7
61.02911	5.4
61.94732	2.9
63.99467	2.8
67.05509	27.0
67.89856	2.5
68.99788	6.2
69.03434	26.2
69.07073	26.0
70.28854	10.0
71.04996	3.7
79.05498	24.1
81.03413	15.8
81.07061	61.3
83.04981	10.8
83.08620	7.6
85.02914	31.7
85.06556	6.8
87.00836	17.6
87.04452	2.7
91.05478	23.5
93.07052	49.0
95.04963	8.7
95.08611	100.0
97.02917	14.9
97.06524	7.4
98.21432	3.0
99.04465	7.6
99.08083	3.6
105.07033	37.8
107.04961	6.8
107.08611	53.6
109.02906	12.0
109.06528	9.3
109.10171	52.8
111.04432	6.7
111.11745	5.5
115.03943	2.8
115.05495	2.6
117.07028	9.0
119.08595	47.1
121.06504	11.9
121.10146	36.9
123.04449	3.0
123.08071	7.7
123.11713	25.1
125.09698	3.2
126.48438	2.6
127.03944	7.4
129.01845	3.3
129.07043	6.8
131.08569	20.4
132.01413	2.6
133.06560	3.2
133.10150	30.9
135.08070	5.5
135.11685	23.2
137.05972	10.9
137.09657	8.1
139.11151	3.5
142.07771	4.0
143.08553	13.9
145.06540	4.4
145.10126	28.4
147.08060	7.6
147.11674	19.7
149.09648	7.5
149.13255	8.2
151.07529	5.0
151.11212	3.0
155.08589	7.3
156.09367	3.0
157.10117	16.0
159.02921	3.4
159.11685	27.9
161.09624	6.1
161.13258	19.7
163.07526	4.1
163.11163	5.6
163.14859	5.9
165.09105	13.2
167.08577	3.4
169.10138	11.1
171.08057	3.5
171.11742	9.1
173.09671	5.1
173.13280	26.2
175.11214	8.3
175.14870	32.4
177.09036	3.3
177.12787	7.6
177.16373	24.5
179.14328	4.6
181.10196	4.1
182.11021	3.5
183.11684	5.3
185.09679	5.8
185.13301	6.6
187.11139	4.3
187.14821	12.1
189.12845	3.7
189.16382	10.4
191.10696	6.5
194.10965	3.1
197.13364	4.8
199.14783	6.2
201.03896	5.2
201.12773	4.4
201.16484	13.7
203.14305	5.8
205.12325	3.2
205.15886	8.5
209.13272	8.1
213.16357	6.5
215.14285	3.5
217.15886	11.3
219.13882	3.8
219.17493	19.1
221.15471	4.3
223.14919	3.2
227.14322	7.7
229.15915	3.2
231.17448	9.0
235.16829	4.5
239.18044	3.6
241.15948	7.6
243.13828	2.9
243.17490	5.3
245.15346	5.1
257.18967	5.3
259.16992	5.1
261.14844	4.3
261.18390	3.1
267.17487	10.5
274.08060	3.0
285.18512	18.5
303.19553	26.0
321.20670	7.5
389.19611	14.0
407.20703	23.6
425.16171	3.5
425.21573	15.9
425.34250	8.0
447.89496	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	425.3416
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03942	2.1
55.05515	7.9
57.07063	4.0
65.03944	1.8
67.05511	18.5
69.07073	12.7
69.26689	9.9
75.11815	0.9
79.05496	13.4
81.07058	54.2
83.05032	1.3
83.08623	6.2
88.47800	1.0
91.04218	0.9
91.05494	10.8
93.07046	34.0
95.04952	1.9
95.08607	51.7
97.10149	3.1
105.07036	25.5
107.08603	41.3
109.06509	2.0
109.10159	40.3
111.08069	1.4
117.07021	3.8
119.08585	40.8
121.10143	39.9
123.08109	1.8
123.11710	35.3
125.09634	1.3
129.06976	2.9
131.08571	8.9
133.10136	30.9
135.08145	1.2
135.11696	49.7
137.13261	4.3
142.07806	1.3
143.08534	8.4
145.10124	17.7
147.11685	21.3
149.13274	11.9
151.11201	1.3
151.14864	1.2
153.09111	3.2
155.08597	2.0
157.10138	8.2
159.11684	11.1
161.09689	1.3
161.13271	14.3
161.14494	1.9
163.14830	16.3
165.16393	4.1
167.10608	1.5
169.10176	2.1
170.10863	1.3
171.11681	5.3
173.13257	9.6
175.14832	15.0
177.09134	1.2
177.16386	31.1
183.11717	3.9
185.13278	23.5
187.14825	12.8
189.12810	3.3
189.16383	36.5
191.17944	12.4
197.13222	3.3
199.14874	6.8
201.16406	9.0
203.14349	29.3
203.17937	25.1
205.15919	3.8
205.19565	3.6
207.17447	21.6
211.14845	3.4
213.16380	7.0
215.17953	26.6
217.15913	4.2
217.19560	4.2
221.19031	2.4
225.16476	1.7
227.14276	1.1
227.17976	6.7
229.15797	1.3
229.19559	2.3
231.17435	2.3
231.21162	1.8
233.15610	1.1
233.18860	1.3
235.16901	1.5
241.19557	6.6
243.21078	13.0
245.19069	1.5
247.16942	4.4
249.18587	4.1
249.77782	1.1
253.19518	5.3
255.21049	5.8
257.22598	3.8
261.18561	21.5
269.22693	3.5
271.20834	2.0
273.22110	1.3
275.20068	1.3
283.24335	2.7
287.20081	2.0
289.21683	11.1
301.21619	5.2
309.25732	1.4
315.23172	3.9
337.28867	2.3
341.24670	1.7
355.26123	1.5
379.33627	13.2
389.32019	4.2
407.33200	14.7
425.34155	100.0
426.34692	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	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05519	4.1
57.07062	2.0
59.94519	0.5
67.05508	9.5
69.03423	2.0
69.07068	7.4
69.39191	2.8
69.39603	1.9
79.05500	4.0
81.06592	1.0
81.07059	14.6
83.04968	0.7
83.08603	2.9
85.06535	1.0
89.53403	0.6
91.05477	4.2
93.07039	10.7
95.04971	0.7
95.08617	19.7
96.98389	0.7
97.06557	1.8
97.10166	1.6
98.21478	1.4
99.08068	0.8
105.07037	12.8
107.08603	12.5
109.06490	1.1
109.10163	18.2
111.08095	0.9
111.11658	0.7
117.07020	1.2
119.07802	1.2
119.08592	13.2
121.06528	1.2
121.10156	10.0
123.08091	1.0
123.11697	6.0
125.09626	1.0
129.07013	1.4
131.08572	5.6
132.77861	0.7
133.06525	1.2
133.10129	8.6
135.08028	2.4
135.11693	10.5
137.13255	1.8
141.06978	0.7
142.07777	1.3
143.08589	6.2
144.09348	0.7
145.10143	6.8
147.08099	4.7
147.11674	6.7
149.09648	1.9
149.13252	4.2
155.08531	1.5
156.09412	1.2
157.10143	6.2
159.08023	1.4
159.11688	9.1
161.09615	7.4
161.13252	5.4
163.11197	1.0
163.14824	2.8
169.10110	1.3
170.10912	0.6
171.11716	2.4
173.13266	4.4
175.11188	4.2
175.14835	3.5
177.12770	1.3
177.16409	1.4
179.14316	0.9
181.46667	0.7
183.11737	2.5
185.13269	6.3
187.11154	0.7
187.14919	3.3
189.12817	1.0
189.16359	5.2
191.14311	1.7
191.17963	2.8
197.13345	1.2
199.11266	0.9
199.14864	2.7
201.12776	2.9
201.16394	2.4
203.14320	50.4
203.18008	2.9
204.14650	1.1
205.15930	1.8
205.19528	0.8
210.73259	0.6
211.14874	1.0
213.16426	1.3
215.14305	2.3
215.17984	1.2
217.15927	5.9
217.19522	1.2
225.16406	1.3
227.17909	1.6
229.19559	0.9
239.17879	0.9
243.17462	1.0
245.18985	0.8
255.21289	0.8
267.21133	1.4
271.20621	3.1
285.22281	1.7
311.23718	0.8
350.32394	0.7
389.31647	1.2
407.33051	11.1
425.34149	100.0
426.34506	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	425.3416
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05513	2.1
57.07071	1.6
67.05511	3.7
69.03425	0.9
69.07077	5.2
69.23047	0.3
69.23334	3.5
76.29746	0.4
79.05497	2.7
81.07064	8.1
83.04977	1.3
83.08630	1.9
85.06537	0.9
91.05502	3.1
93.07051	6.1
95.08611	11.8
97.06540	0.6
97.10164	1.4
103.05470	0.4
105.07042	6.9
107.08598	10.7
109.06518	0.6
109.09465	0.7
109.10167	7.8
111.08086	0.8
111.11730	0.6
117.06977	0.5
119.08588	8.0
121.06498	1.2
121.09325	0.7
121.10147	8.0
123.08044	0.6
123.11721	4.0
125.96607	0.3
129.06990	0.7
129.50226	0.4
131.08603	2.1
133.06502	7.3
133.10126	6.2
135.08058	3.6
135.11703	6.6
137.09627	0.6
137.13254	2.0
139.11183	0.5
143.08553	1.3
145.10124	3.3
147.08052	3.5
147.11719	5.6
149.09619	1.7
149.13257	3.5
151.11227	0.6
151.14857	0.3
152.02898	0.4
157.10136	1.5
159.08051	1.4
159.11703	5.0
161.09618	1.5
161.13264	5.4
162.10393	1.7
163.11223	0.6
163.14856	3.1
169.10172	0.4
171.11702	1.2
173.09526	0.5
173.13306	3.7
175.11214	0.8
175.14845	2.6
177.12805	1.7
177.16397	1.7
179.14287	0.8
183.11719	0.8
185.13263	1.7
187.11137	0.4
187.14786	1.8
189.12764	2.6
189.16414	2.4
191.14323	1.4
191.17947	2.0
195.83066	0.4
199.11163	0.9
199.14859	0.9
201.09082	0.4
201.12758	4.3
201.16409	1.4
203.14330	21.0
203.17958	4.9
205.15887	17.7
205.19484	1.2
206.16066	0.5
213.12817	0.6
215.14391	1.7
215.17944	1.1
217.15968	2.0
217.19522	1.6
219.17384	1.0
227.14368	0.4
229.15942	1.6
229.19284	0.3
230.16734	0.8
231.17433	1.3
239.14615	0.6
241.19623	0.4
243.17471	0.5
245.18953	0.5
245.22697	0.5
255.17427	0.6
255.21193	0.5
257.19095	0.9
259.78137	0.4
269.22861	0.6
271.20480	1.8
281.18970	0.6
295.20651	0.4
297.22183	1.0
309.22046	0.5
311.23798	0.7
323.23740	0.6
325.25333	0.5
327.30258	0.4
341.21301	0.5
357.20541	0.9
389.33267	0.5
407.32852	6.9
425.34100	100.0
426.34320	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3419
Annotation	Maragenin II
Peak:m/z	Relative Intensity
55.05500	9.0
57.07078	11.5
67.05499	13.6
69.07072	19.8
71.08630	7.3
71.52387	2.6
79.05489	11.9
81.07068	27.7
83.08617	8.6
85.06499	3.7
85.10146	2.3
89.06025	17.6
90.06384	4.7
91.05498	11.9
93.07056	29.4
95.08626	39.5
95.54793	2.0
97.06556	1.9
97.10187	5.2
99.08102	9.9
99.49622	2.5
105.07050	30.0
107.08598	45.5
109.06513	3.9
109.10162	20.6
111.02361	2.3
111.79790	2.3
112.81350	2.3
117.07032	3.8
119.08582	36.9
121.10146	33.0
123.08084	3.1
123.11707	10.0
125.09695	2.3
129.06990	3.7
129.11345	2.5
131.08589	13.1
133.08594	7.4
133.10138	25.6
134.08998	2.9
135.11694	26.9
137.09537	2.9
137.13249	5.9
139.11246	3.0
141.07031	2.4
143.08589	10.8
145.10130	26.1
147.11720	19.4
149.09573	3.3
149.13290	11.0
151.11186	2.3
155.08615	6.0
156.09375	3.9
157.10138	20.1
158.10959	2.6
159.11690	21.8
161.13258	14.8
162.09143	2.3
163.14833	8.2
165.12790	2.7
169.10141	8.9
170.10953	2.9
171.11722	13.9
173.13307	20.6
175.11124	2.9
175.14816	16.3
177.12811	3.3
177.16544	2.3
179.14313	5.9
179.42082	2.1
183.11742	15.5
185.13313	14.9
187.14842	11.3
189.16385	11.4
191.18013	4.7
197.13254	8.6
199.14839	26.3
201.16440	11.7
203.14363	13.2
203.17963	2.4
205.15846	2.9
211.14818	6.9
213.16354	15.3
215.17995	6.0
217.15784	3.6
221.15282	4.3
223.14879	2.5
225.16368	5.4
227.17989	8.2
229.19606	2.4
231.17386	2.7
237.16249	2.6
239.14964	6.3
239.17947	3.5
240.15065	2.9
241.19559	11.7
243.21138	4.5
245.19067	6.5
253.19559	16.2
255.21097	7.4
257.19046	2.7
259.20724	6.9
267.21094	5.1
271.20569	22.4
273.22150	6.4
279.21106	2.5
285.22119	10.6
311.23532	3.8
337.25409	2.3
351.26788	2.8
353.28223	3.5
389.32053	5.4
407.33127	47.3
408.34061	12.5
408.46454	2.4
425.21527	7.5
425.34180	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	425.3417
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
52.14909	3.0
55.05514	21.0
57.07071	11.5
59.02290	2.7
59.02629	3.4
65.68392	3.0
67.05515	31.9
69.07072	42.1
71.04971	3.6
79.05488	23.4
79.22868	3.3
79.96436	2.9
80.64388	2.8
81.06594	5.0
81.07063	82.7
83.08623	12.7
85.06521	4.3
85.09516	3.7
87.04504	3.7
89.06042	5.8
91.05473	15.9
93.07053	45.2
95.08617	89.4
97.06485	3.6
97.10179	5.9
105.07043	44.4
107.08608	59.7
109.06528	5.3
109.10166	56.6
111.08103	3.3
111.11700	10.3
116.34328	3.3
117.06945	4.1
119.08591	72.1
121.06512	3.5
121.10143	52.4
123.08054	5.9
123.11712	33.8
125.09664	4.8
131.08562	14.1
133.10143	47.2
135.07971	3.1
135.11725	39.9
137.09616	7.0
137.13252	12.5
142.07738	3.2
143.08542	9.6
145.10139	27.3
147.11711	27.6
149.09615	3.9
149.13298	26.1
151.11160	4.9
157.10127	14.1
159.11693	25.3
161.13223	21.9
163.14822	19.8
165.12721	3.6
171.11650	12.3
173.13306	20.2
175.11145	4.2
175.14862	24.3
177.16403	31.0
179.14265	6.3
184.07378	8.9
185.13306	12.1
187.14810	23.6
189.16383	29.4
189.34972	3.3
191.17973	8.4
193.15843	5.5
197.13354	6.5
199.14822	13.7
201.16389	12.9
203.14285	18.9
203.17950	13.9
207.17465	3.4
213.16365	7.6
215.17987	13.6
217.16014	6.0
217.19481	7.5
225.16364	3.2
229.19539	5.0
231.17462	4.0
235.16943	19.8
240.15213	4.1
243.21169	5.0
255.21051	6.6
269.22852	5.3
271.23929	3.4
389.32111	8.6
407.33096	13.4
407.37460	7.3
408.33661	3.7
425.33646	100.0
426.34689	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	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03956	1.5
55.05516	10.4
57.07078	8.0
59.35424	0.6
65.03947	1.0
67.05508	22.4
69.07072	18.9
69.22298	4.5
69.22704	1.5
71.08646	1.9
79.05495	9.9
81.07061	67.9
83.08628	10.1
91.05490	10.4
93.07053	23.5
95.04977	0.7
95.08614	100.0
97.06535	0.9
97.10175	5.2
98.21544	1.2
105.07038	21.2
107.08599	30.1
109.06552	1.0
109.10165	35.5
111.11721	2.0
117.07008	4.0
119.08589	17.9
121.06495	0.9
121.10152	21.9
123.11713	24.0
125.13296	1.7
129.07011	2.5
130.07796	0.7
131.08585	11.6
132.56371	0.7
133.06540	2.9
133.10144	20.5
135.08078	1.5
135.11696	21.4
137.13261	42.5
138.79225	0.7
139.11180	0.8
143.08557	4.9
145.09058	1.1
145.10135	15.3
147.11693	12.1
149.13264	15.6
151.14862	3.2
157.10143	5.3
159.11696	10.9
161.09688	0.8
161.13269	11.3
163.11165	1.0
163.14821	5.7
169.10168	1.4
170.10962	0.9
171.11703	5.1
172.98206	0.7
173.13284	9.0
175.14864	6.5
177.12717	1.1
177.16400	5.6
179.14250	0.7
179.18019	2.1
183.11688	1.2
185.13240	6.0
187.14832	7.6
189.12741	0.7
189.16383	7.5
191.14354	1.7
191.17987	9.7
193.19469	0.9
194.46494	0.6
199.14819	4.5
201.12822	1.9
201.16379	8.9
203.14330	7.7
203.17935	6.5
205.15869	8.3
205.19540	6.7
207.17465	1.5
209.12898	0.7
213.16397	6.3
215.17986	8.3
217.16057	0.9
217.19505	7.8
219.17462	5.7
219.20990	1.5
225.16443	1.0
227.17970	6.5
229.19508	4.9
231.17451	2.0
233.19009	2.6
241.19550	2.0
243.21054	0.8
245.19043	3.8
245.22762	1.0
247.20618	1.2
255.17357	0.9
255.21164	3.6
257.22659	5.8
259.20453	0.7
269.22696	4.1
271.24332	1.2
273.22122	1.0
275.23801	2.0
283.24210	3.1
287.23767	1.4
395.36752	1.1
397.38150	1.6
407.37079	13.3
425.34100	27.0
425.38345	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.85409	1.8
55.05497	11.1
57.07065	5.5
67.05507	20.5
69.07078	18.1
69.16412	10.2
69.16836	7.2
71.08607	2.5
79.05499	16.2
81.06599	2.8
81.07061	53.4
83.08615	7.7
91.05476	10.5
91.79931	1.6
93.07052	40.0
94.17692	1.6
95.04965	2.4
95.08613	100.0
97.10158	6.5
105.07036	25.9
107.07890	2.9
107.08604	58.2
109.10165	62.6
111.08055	2.1
111.11705	2.7
117.07001	3.7
119.08595	32.0
121.10156	51.6
123.08059	2.0
123.11716	26.8
125.09621	4.3
131.08565	6.1
133.10132	25.5
135.11705	37.7
135.12715	2.7
137.13228	13.1
137.39369	1.9
139.11165	5.3
145.10146	10.1
147.11710	27.5
149.13269	54.0
151.14809	3.3
159.11671	12.1
161.13287	24.0
163.14838	24.3
171.11665	2.3
173.13232	8.5
175.14812	15.1
177.16408	19.8
179.14328	8.2
185.13304	1.7
187.14844	11.8
188.69939	1.9
188.79768	1.6
189.16367	16.7
191.17966	45.4
199.14766	1.8
201.16389	5.6
203.17944	23.4
205.19539	20.6
207.17442	4.6
213.16426	2.8
215.18027	10.6
217.19511	32.9
221.18938	4.2
229.19518	7.7
231.21082	5.8
233.18979	14.8
235.20572	7.8
243.21254	2.4
245.22615	7.1
247.20670	4.0
247.24165	1.9
255.21135	2.3
258.12000	1.8
259.24231	3.3
261.22025	2.0
269.22696	2.2
271.24078	1.9
283.24203	2.4
301.25360	3.1
397.09811	1.7
397.38171	2.8
407.32657	1.5
407.36923	13.0
423.25598	2.0
425.38025	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03945	2.7
55.05514	15.0
57.07064	6.7
67.05507	33.6
69.03417	2.1
69.07071	23.6
69.24888	1.3
79.05493	17.0
81.05467	1.4
81.07063	68.4
83.08621	11.6
91.05486	14.0
92.40874	1.6
93.06485	2.9
93.07043	39.7
95.04982	1.8
95.08613	100.0
97.06548	3.8
97.10197	7.3
97.10707	1.5
105.06332	1.5
105.07043	34.1
107.08601	70.9
109.06496	2.6
109.10162	75.4
111.08099	2.9
111.11722	2.6
117.07012	2.6
119.07818	2.9
119.08594	38.0
121.10155	48.7
123.08046	2.5
123.10843	2.2
123.11715	35.9
124.45858	1.4
125.09626	7.7
126.31590	1.6
127.11147	2.0
131.08591	7.1
133.10144	35.7
134.10445	1.7
135.11702	43.0
137.13266	22.8
143.08614	1.5
145.10147	13.7
147.11691	36.4
149.13280	37.9
151.11151	1.5
151.14804	4.0
156.09349	1.7
157.10114	4.9
159.11707	17.5
161.12009	1.8
161.13271	25.4
163.11134	2.2
163.14844	21.6
171.11694	2.2
171.35332	1.4
173.13286	9.6
175.14853	11.6
177.16429	12.2
179.14333	8.6
179.17921	1.8
185.13246	3.2
187.14864	8.4
189.16383	26.6
191.17964	39.9
193.19485	2.0
201.16399	14.0
203.14290	4.4
203.17966	26.0
205.15842	3.2
205.19505	13.6
207.17517	9.1
213.16347	2.6
215.17993	13.3
217.16254	1.7
217.19511	32.9
219.17540	3.1
219.21072	4.3
229.19513	5.5
231.17421	2.0
231.21010	3.7
233.19038	4.2
243.21054	4.0
245.18947	2.7
245.22618	4.7
255.21080	1.9
257.22644	5.0
269.22647	4.1
271.24225	4.7
273.22147	2.1
299.27213	2.5
311.27621	1.8
407.36954	16.2
425.38287	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	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.05517	13.9
57.07072	4.8
65.03940	2.3
67.05508	29.1
68.92659	1.0
69.03439	1.6
69.07069	22.9
70.27934	1.0
71.04975	1.4
71.08620	1.5
79.05497	14.4
81.03407	1.1
81.07060	65.4
83.08632	10.7
91.05476	17.3
93.07049	41.0
93.07639	1.7
95.04980	1.7
95.08614	100.0
96.64957	1.1
97.06536	4.7
97.10152	7.7
103.05476	1.0
105.07032	36.1
107.08601	72.1
109.06561	1.4
109.10165	83.8
111.08106	2.4
111.11729	5.2
117.07008	3.6
119.08591	40.1
121.06522	1.3
121.10152	49.8
123.08047	2.3
123.11722	31.6
125.09616	6.0
127.11185	2.5
129.07002	2.5
130.07816	1.3
131.08563	6.8
133.10138	31.6
135.11705	45.1
137.13264	17.4
139.11151	1.1
143.08545	2.5
145.10132	13.3
147.11696	33.9
149.13272	32.0
151.11165	2.1
151.14835	4.4
157.10161	4.1
159.11707	15.1
161.13258	26.6
163.14828	22.3
165.12801	2.6
165.16399	1.2
171.11649	1.6
173.13297	10.1
175.14851	15.8
177.16357	10.3
179.14316	5.9
180.61890	1.0
185.13216	3.1
187.14836	8.1
189.16396	26.7
191.16214	2.0
191.17957	41.9
193.15868	1.7
199.14810	3.2
201.16406	14.4
203.14363	5.6
203.17966	28.0
205.15891	3.0
205.19536	11.2
207.17465	10.1
213.16418	3.5
215.17976	9.7
217.15889	4.2
217.19522	31.4
219.17517	2.5
219.21072	3.4
221.19058	1.8
227.17940	1.9
229.19576	4.0
231.21143	2.5
233.18988	4.6
235.20573	4.3
241.19566	2.8
243.21046	3.3
245.22702	4.3
255.21124	1.3
257.22644	4.2
259.24142	1.5
271.20773	1.4
271.24191	3.7
285.25851	1.3
287.23740	1.3
297.25775	1.4
299.27264	2.2
315.26974	1.9
351.30551	1.2
396.17529	1.2
407.32654	3.1
407.37164	13.5
425.38315	51.0
426.38300	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	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03931	3.9
55.05513	16.1
57.07064	6.0
67.05186	2.2
67.05515	31.3
68.49879	1.1
69.03428	2.1
69.07073	24.2
69.11893	1.2
69.28857	11.8
70.76385	1.2
71.08628	1.5
76.91132	1.5
79.05502	18.5
80.24915	1.4
81.07066	70.0
83.04964	1.3
83.08627	12.5
85.06548	1.8
91.05486	14.4
93.07053	47.5
95.04965	2.3
95.08618	100.0
97.06528	3.9
97.10181	5.9
98.24370	1.4
99.08099	1.6
105.06409	2.1
105.07048	33.3
107.08610	71.4
107.95152	1.3
109.06538	3.2
109.10166	89.6
111.00353	1.4
111.08085	4.1
111.11704	3.8
116.98606	1.4
117.07030	4.4
119.08601	46.5
121.10156	54.8
123.08057	1.8
123.11723	30.2
125.09633	6.8
127.11210	1.6
129.06931	1.8
130.07806	1.8
131.08586	10.6
133.10147	38.7
135.08144	1.4
135.11703	47.4
137.13261	19.8
143.08559	4.1
145.10117	11.6
147.11694	34.7
149.13271	31.5
151.11189	3.6
151.14828	2.7
155.08522	1.7
157.10153	5.0
159.11717	19.1
161.13266	31.0
163.14835	22.3
165.12752	3.1
165.16393	1.5
167.24474	1.3
169.10132	2.9
171.11694	5.0
173.13281	12.7
175.14867	16.1
177.12750	2.1
177.16406	9.4
179.12724	1.2
179.14310	6.8
183.11703	2.9
185.13222	3.8
186.38312	1.3
187.14854	10.6
189.16400	22.3
191.17970	36.6
197.13228	2.5
199.14854	4.8
201.16388	11.8
203.14273	4.3
203.17982	27.3
205.15834	3.1
205.19502	11.8
207.17485	8.9
211.14903	1.6
213.16327	4.3
215.17961	10.9
217.15964	3.5
217.19534	27.7
219.17516	2.1
219.21040	2.8
221.19138	2.0
225.16290	1.6
227.17851	2.8
229.19548	5.3
231.21071	2.8
233.18987	4.4
235.20570	3.6
239.18039	1.9
241.19482	4.1
243.21133	3.2
245.22635	2.4
253.19469	1.7
255.21164	2.9
257.22601	4.6
269.22562	2.3
271.20566	1.6
271.24304	2.3
285.25586	2.8
297.25659	1.5
299.27237	1.9
325.29208	1.5
330.45660	1.4
337.25333	1.8
398.02197	1.5
407.32806	6.8
407.37677	12.4
425.33588	19.4
425.38773	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66223	2.5
55.05513	17.0
56.97657	3.6
57.07079	13.4
64.46393	2.9
65.03951	2.7
67.05509	39.6
69.07073	50.8
69.98471	11.9
71.04946	3.1
71.08627	4.1
72.08184	3.5
73.08490	4.1
79.05508	18.0
81.07065	81.5
83.08634	17.0
85.06523	3.5
86.09702	4.4
89.06026	6.3
91.05495	16.5
93.07041	35.0
95.08616	100.0
97.06529	3.3
97.10168	9.2
105.07046	37.1
107.08611	61.2
109.06528	2.9
109.10162	64.9
111.11733	17.2
119.08590	40.2
121.10165	44.8
123.08118	4.1
123.11707	30.4
125.09642	3.5
131.08592	10.9
133.10146	38.5
135.11714	37.4
137.09624	3.7
137.13258	17.2
143.08603	9.1
145.10139	21.3
147.11720	28.0
149.13283	27.6
151.11180	6.4
153.79919	3.0
157.10162	7.0
159.11728	12.6
161.13263	17.3
163.14888	13.4
171.11755	6.4
173.13286	10.7
175.14836	20.3
177.16396	24.6
184.07364	10.1
185.13303	5.0
187.14862	15.0
189.16388	18.9
191.17955	11.8
195.17491	4.4
199.14787	10.3
201.16443	7.2
203.14391	11.6
203.17989	15.8
207.17471	5.1
213.16411	6.2
215.17967	9.1
217.19572	12.6
227.18021	5.6
229.19589	6.4
231.21153	8.4
233.19017	5.5
235.16998	6.8
241.19511	6.0
243.21179	3.5
257.22675	3.8
259.24252	2.9
269.22638	5.1
285.25821	4.5
325.29135	4.9
389.31848	3.4
407.36987	17.6
425.33234	72.2
425.38327	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	426.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84586	0.5
53.03720	0.4
53.03941	3.2
55.01868	0.9
57.03429	0.6
57.07015	0.4
59.64316	0.4
67.05495	1.3
69.03434	7.5
69.67465	1.5
71.04988	1.1
73.02914	0.8
77.56566	0.4
78.03039	0.8
78.03459	11.6
79.05493	2.2
80.05025	1.2
81.03419	17.8
81.07058	0.6
81.88784	0.4
85.02909	7.9
88.41743	0.5
93.07040	1.2
95.08605	3.7
96.04482	1.4
97.02892	3.8
99.04465	2.8
105.07041	3.5
106.02920	55.6
109.02888	10.1
121.06517	0.4
123.08074	2.0
124.03957	100.0
127.03923	7.7
141.09114	3.0
164.07069	0.7
166.05026	1.3
196.06073	0.5
232.06050	3.4
250.04482	0.7
250.07121	21.0
268.08173	56.5
269.08664	0.7
286.09167	3.2
320.94431	0.4
343.44077	0.4
408.16550	16.8
408.21988	0.9
426.17651	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	426.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.8
57.07079	0.5
60.04529	0.5
62.06093	0.6
62.34716	0.3
67.05502	1.0
68.29053	0.3
69.07076	1.7
70.06599	0.6
71.08639	5.7
71.94540	0.3
72.08150	1.1
73.91194	0.4
79.05485	1.0
81.07069	3.0
82.06600	0.4
83.04961	0.5
83.08621	1.6
84.08130	1.2
86.06078	2.9
91.05477	1.0
93.07065	1.9
95.07359	0.3
95.08603	2.1
96.08147	2.1
97.06558	0.6
98.06059	0.7
98.09693	2.6
99.08103	2.2
101.06025	0.7
105.06995	0.7
107.08604	1.4
108.08135	1.2
109.10162	1.0
110.09717	0.6
111.08112	0.4
116.10744	15.6
119.08590	0.5
121.10156	1.2
122.09668	1.0
124.07577	0.4
125.09641	0.4
126.09145	0.7
129.93500	0.4
131.08600	0.3
133.10123	0.7
135.11673	0.4
136.11192	0.4
137.05981	0.3
138.09174	0.8
140.10725	0.6
142.12254	0.3
143.10716	1.6
145.10176	0.4
147.11758	0.5
149.13248	0.8
154.15918	2.9
158.10551	0.4
164.14322	0.5
166.15950	2.1
167.14326	0.4
168.11168	0.3
168.17470	0.6
177.40085	0.3
178.15945	1.4
178.41975	0.3
196.16971	7.9
199.56111	0.3
214.18039	100.0
215.18275	0.7
238.18002	0.7
239.16335	0.4
244.33154	0.3
256.19086	0.6
257.17517	2.0
277.00104	0.4
310.23770	1.6
328.24808	3.5
345.37869	0.3
369.63000	0.3
390.32559	0.4
408.31256	1.2
426.32089	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	426.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.8
57.07079	0.5
60.04529	0.5
62.06093	0.6
62.34716	0.3
67.05502	1.0
68.29053	0.3
69.07076	1.7
70.06599	0.6
71.08639	5.7
71.94540	0.3
72.08150	1.1
73.91194	0.4
79.05485	1.0
81.07069	3.0
82.06600	0.4
83.04961	0.5
83.08621	1.6
84.08130	1.2
86.06078	2.9
91.05477	1.0
93.07065	1.9
95.07359	0.3
95.08603	2.1
96.08147	2.1
97.06558	0.6
98.06059	0.7
98.09693	2.6
99.08103	2.2
101.06025	0.7
105.06995	0.7
107.08604	1.4
108.08135	1.2
109.10162	1.0
110.09717	0.6
111.08112	0.4
116.10744	15.6
119.08590	0.5
121.10156	1.2
122.09668	1.0
124.07577	0.4
125.09641	0.4
126.09145	0.7
129.93500	0.4
131.08600	0.3
133.10123	0.7
135.11673	0.4
136.11192	0.4
137.05981	0.3
138.09174	0.8
140.10725	0.6
142.12254	0.3
143.10716	1.6
145.10176	0.4
147.11758	0.5
149.13248	0.8
154.15918	2.9
158.10551	0.4
164.14322	0.5
166.15950	2.1
167.14326	0.4
168.11168	0.3
168.17470	0.6
177.40085	0.3
178.15945	1.4
178.41975	0.3
196.16971	7.9
199.56111	0.3
214.18039	100.0
215.18275	0.7
238.18002	0.7
239.16335	0.4
244.33154	0.3
256.19086	0.6
257.17517	2.0
277.00104	0.4
310.23770	1.6
328.24808	3.5
345.37869	0.3
369.63000	0.3
390.32559	0.4
408.31256	1.2
426.32089	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	427.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03001	0.2
55.05512	0.4
55.52206	0.1
57.04553	0.4
67.05496	0.2
69.03411	0.3
70.06555	0.2
71.51191	0.3
72.08163	0.2
81.03417	0.3
81.07051	0.2
85.02918	0.8
91.05524	0.2
91.57619	0.2
94.04063	1.3
96.77940	0.1
97.02867	0.2
98.97586	0.2
105.07039	0.2
106.02922	0.3
107.08601	0.2
109.02888	0.2
112.05105	0.2
115.11205	0.2
117.06932	0.2
119.03525	0.3
119.04966	0.2
123.04436	0.8
123.06673	0.7
124.03966	0.4
124.04782	0.4
124.07623	0.4
125.07905	0.2
127.03914	0.3
133.05075	0.3
137.06010	0.4
145.04987	0.2
147.04510	0.2
150.07764	100.0
151.08119	0.3
163.03923	0.5
164.07040	0.9
179.03421	0.8
185.84502	0.2
247.11592	0.3
264.12256	0.5
265.12769	1.0
268.08188	0.4
282.11948	0.7
295.11530	23.8
296.11810	0.2
341.49316	0.2
351.49582	0.2
355.09943	0.2
410.18472	0.3
418.49188	0.2
427.18866	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
53.87620	1.2
55.01865	3.3
55.05511	14.7
55.10412	1.2
57.03427	5.2
59.04997	4.1
61.02915	4.3
67.05504	3.0
69.03141	1.4
69.03435	15.1
69.07067	7.8
69.25016	3.6
69.25436	7.4
71.04979	2.6
73.02907	2.6
77.73676	1.4
79.05483	4.7
81.03436	6.9
81.07060	8.2
83.04984	21.4
83.08583	2.5
85.02908	44.6
85.06551	3.1
87.04441	1.9
89.71355	1.2
91.03938	1.7
91.05476	4.8
93.07049	8.8
95.04974	22.9
95.08609	6.9
97.02904	13.4
99.04467	3.5
101.06028	10.6
105.07032	7.5
107.04962	2.2
107.08597	14.4
108.18919	1.3
109.02887	4.5
109.06506	8.0
109.10161	7.5
111.08076	1.7
115.03960	1.9
117.07044	2.4
119.04919	2.1
119.08561	9.7
121.06494	3.0
121.10130	7.6
123.08107	1.7
123.11732	6.0
125.02635	1.2
127.03947	9.2
131.04932	1.5
131.08600	3.3
133.10149	3.4
135.08060	9.1
135.11681	7.5
137.09528	1.4
137.13217	1.4
143.08580	1.4
145.04951	5.2
145.10118	7.7
147.07991	1.4
147.11729	6.7
147.12711	1.4
149.09619	4.5
151.07651	1.7
155.08514	1.4
156.09158	1.3
159.08078	3.0
159.11737	2.6
161.09666	2.2
161.13251	3.9
163.11195	7.0
165.12756	57.1
171.11679	2.6
173.09703	1.7
177.09096	6.7
177.16295	1.7
185.13248	1.3
187.11119	1.7
187.14848	2.8
189.12750	4.7
191.10674	5.7
201.16328	2.1
205.15906	5.6
212.98994	1.4
219.17491	1.7
229.15887	4.7
235.16888	2.5
247.16927	34.0
265.18002	100.0
266.54913	1.3
343.16293	1.3
398.45047	1.3
427.18524	2.0
427.23541	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	427.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01872	2.8
55.05519	15.7
57.03429	3.9
58.13938	0.9
59.04993	2.9
61.02917	4.3
67.05505	3.7
69.03434	15.5
69.07069	6.0
71.04996	3.3
71.43197	1.7
73.02906	2.9
79.05494	1.9
81.03409	7.5
81.07058	8.1
83.04985	15.4
83.08607	2.3
85.02911	37.2
85.06530	1.6
87.04463	2.4
91.03924	1.6
91.05481	4.7
93.07039	6.6
95.04974	22.0
95.08621	7.1
97.02904	11.3
99.04449	2.1
101.06033	12.8
105.07031	6.9
107.08592	10.0
109.02867	4.1
109.06541	6.1
109.10162	6.8
111.04465	2.0
117.07075	1.7
119.04935	1.5
119.08566	7.2
119.77815	0.9
121.06519	2.5
121.10143	7.0
123.04437	1.1
123.08055	2.9
123.11713	3.7
125.05967	1.2
127.03921	8.8
129.07022	1.3
131.08557	4.2
133.06496	1.7
133.10117	3.3
135.08070	6.4
135.11691	6.4
137.05994	2.0
137.09624	2.0
143.08524	2.0
145.04968	5.1
145.10156	5.8
147.11699	6.3
149.09642	4.5
151.07584	1.8
159.08026	2.9
159.11717	2.7
161.09607	1.7
161.13278	2.7
163.11201	5.5
163.14862	2.0
165.12762	51.6
171.11745	2.5
177.09143	5.2
177.12791	1.0
177.16272	1.7
181.12204	1.2
187.14809	4.2
189.12749	5.5
190.44260	1.1
191.10672	5.9
191.14302	1.6
201.16496	1.2
205.15955	6.3
211.14818	1.3
217.12549	1.0
219.17456	2.1
229.15871	4.1
247.16959	31.7
265.18008	100.0
285.92285	1.0
409.22211	1.6
427.23212	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	427.3578
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.05510	4.6
57.03447	1.3
57.07087	1.0
59.29359	0.8
65.39364	0.8
67.05508	7.1
69.07074	6.7
70.06599	1.8
70.64050	2.0
79.05489	6.0
81.07070	14.7
82.70910	1.0
83.05005	1.1
83.08619	2.9
85.06580	1.1
88.24355	0.9
91.05497	6.2
93.06488	1.3
93.07056	18.5
95.04985	1.7
95.08614	26.1
95.80004	0.8
96.12320	0.8
97.06554	1.4
97.10191	2.2
105.07042	11.8
107.08603	26.8
109.06509	2.9
109.10174	16.4
111.08083	2.1
115.08712	1.8
117.07013	1.7
119.08594	20.5
121.06541	0.8
121.10159	18.0
123.08080	2.2
123.11724	7.2
125.09695	0.9
128.06946	0.9
129.06979	1.2
131.08571	6.2
133.10147	16.8
135.08098	3.1
135.10704	1.7
135.11699	23.6
136.12068	1.2
137.05983	2.4
137.09619	2.3
137.13275	3.1
137.78046	0.9
143.08588	3.1
145.10139	11.4
147.11694	17.1
149.09654	1.1
149.13258	11.5
151.11182	0.9
153.12718	0.9
157.10135	3.1
159.11734	8.3
160.85287	0.9
161.13281	9.0
163.14836	9.8
165.12746	1.8
171.11710	2.7
171.66229	0.9
173.13289	6.0
175.14825	5.3
177.16414	6.5
179.14328	1.5
185.13287	2.6
187.14841	12.7
189.16382	18.7
191.14355	2.3
191.17947	4.9
199.14835	2.9
201.16417	7.6
203.17963	6.7
205.15898	28.7
206.79115	0.9
207.17459	19.0
211.14850	1.3
213.16364	1.7
215.17984	5.4
217.19586	2.2
219.17506	4.5
225.16411	0.8
227.18053	1.2
229.19576	3.0
241.19547	2.2
243.21162	3.5
253.19594	0.9
255.21172	5.8
257.22653	4.0
259.20557	1.1
269.22659	4.8
273.22278	0.9
311.85593	0.8
331.26324	1.5
340.24692	0.8
376.49622	0.8
391.33658	3.8
409.29623	1.7
409.34677	25.0
427.35776	100.0
428.36258	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3574
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03930	2.6
55.05510	9.6
57.07077	7.6
57.94442	2.6
58.54350	2.6
58.83241	2.7
67.05510	21.2
69.07073	43.6
69.55859	6.5
69.56275	11.3
72.81021	3.1
74.65855	2.8
79.05493	15.6
81.07066	61.9
83.04958	3.0
83.08617	14.7
86.34028	2.8
87.04449	3.7
89.37664	2.8
91.05478	13.0
93.07049	39.4
95.08612	82.9
97.06539	3.5
97.10154	3.9
105.07062	23.9
107.08601	61.6
109.06519	4.8
109.10165	53.1
111.08079	3.6
117.07028	4.3
119.08587	48.6
121.10151	53.1
123.08073	5.1
123.11717	26.1
128.14032	2.6
131.08598	10.4
133.10139	39.5
135.11705	35.2
137.09650	4.3
137.13245	7.6
143.08548	5.2
145.10172	16.0
147.11697	19.6
149.09645	5.9
149.13269	32.5
153.05441	3.3
156.09357	3.4
157.10123	13.0
159.11693	23.1
161.13277	17.9
162.60234	2.9
163.11198	4.6
163.14850	21.3
165.05492	23.1
165.12784	3.7
171.11687	10.1
173.13228	14.5
175.14861	18.1
177.09216	6.0
177.12790	4.8
177.16411	26.0
179.07076	4.3
179.14406	4.7
185.13239	8.4
187.14862	14.2
189.16388	16.1
191.10742	6.1
191.17955	10.4
193.15939	3.7
197.34552	2.5
199.14880	8.8
201.16435	7.8
203.17944	10.9
205.15858	5.1
213.16426	13.4
215.17987	11.2
217.15950	6.9
217.19482	20.1
219.10205	25.9
219.17506	5.6
221.11743	10.2
227.18095	3.9
229.19588	5.4
231.17474	10.4
231.21039	7.2
233.11714	4.8
235.17010	10.2
237.11250	32.9
241.19574	5.1
243.21205	5.0
249.18639	3.2
251.12827	7.1
255.21123	20.9
257.22690	7.5
259.20670	5.0
263.20102	3.5
267.21063	4.3
269.22562	4.0
271.24213	5.1
285.22189	3.1
287.16449	30.9
299.99799	3.7
303.23203	3.6
341.20859	3.7
359.22208	54.3
371.22186	5.4
391.33542	34.4
409.34637	42.3
427.29889	3.6
427.35706	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	427.3574
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03943	3.6
55.05511	14.0
67.05494	24.2
69.07066	28.7
69.51429	18.7
79.05499	22.1
81.07061	53.5
83.04975	3.7
83.08627	11.7
86.09718	16.5
90.37640	3.4
91.05486	21.3
93.07039	44.0
95.05001	4.7
95.08614	100.0
97.10162	5.9
105.07032	53.7
107.08600	88.8
109.06562	3.8
109.10164	59.1
111.08092	7.1
117.07054	6.6
118.55102	2.6
119.08591	69.7
121.06468	4.2
121.10148	68.7
123.08105	4.0
123.11722	20.7
131.08548	22.2
133.10141	43.8
135.08067	6.3
135.11702	51.0
137.13290	5.8
143.08548	5.6
145.10127	41.6
147.11700	46.5
149.09639	7.1
149.13268	33.7
157.10152	10.0
159.11699	34.3
161.13278	33.8
163.14825	39.0
165.12822	4.9
167.10783	3.1
169.10121	4.8
171.11726	11.6
173.13281	24.2
175.14828	38.6
177.12804	4.5
177.16415	32.0
179.14317	12.1
185.13284	9.5
186.14912	11.7
187.14835	30.6
189.16409	46.6
191.14369	7.4
191.17992	28.7
197.13182	5.0
199.14798	5.4
201.16400	27.5
203.17975	82.5
205.15915	33.4
205.19508	4.7
207.17514	9.4
213.16385	4.5
214.14478	4.6
215.17957	15.6
217.19591	8.6
219.17473	20.1
219.79839	3.3
223.17024	8.6
229.19539	16.3
231.17365	4.4
231.21159	6.7
237.18506	4.9
241.19582	13.7
243.21170	4.4
247.20578	6.7
255.21257	8.0
257.22607	4.6
259.20590	17.0
267.21182	3.0
269.22665	6.1
314.19736	3.7
391.33704	16.7
409.34735	59.5
409.40076	3.8
427.35767	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57611	1.9
53.03940	2.0
54.18035	1.7
55.05506	11.8
57.07077	4.9
63.63527	1.8
65.17896	1.9
67.05505	22.9
69.07066	20.1
69.55465	11.4
71.08620	2.2
78.45683	2.0
79.05494	22.7
81.07058	40.6
82.59950	1.7
83.04963	2.1
83.08630	12.9
85.06545	2.6
91.05482	21.0
93.07049	40.1
95.05031	2.2
95.08614	100.0
97.06532	2.4
97.10169	5.3
98.21448	4.3
99.08118	2.4
100.97179	1.9
101.24996	2.0
103.05482	2.3
105.04539	2.5
105.07032	41.4
107.08598	69.8
107.95684	1.7
109.06518	3.1
109.10167	57.5
111.08104	2.8
117.07016	5.9
119.08591	63.5
121.09327	4.1
121.10152	55.3
123.08083	5.6
123.11742	19.0
129.06876	1.7
131.08559	17.4
133.10135	45.8
135.08072	5.8
135.11699	41.4
137.09659	2.4
137.13286	6.4
143.08606	4.2
144.55516	1.9
145.10149	28.1
147.11690	39.6
149.09648	2.9
149.13263	31.3
157.10176	6.1
159.11723	22.5
161.13264	37.8
163.11237	4.3
163.14819	31.8
165.12820	3.3
165.16399	2.1
171.11711	7.6
173.13297	10.4
175.14838	43.6
177.12778	2.4
177.16380	25.2
179.14346	2.7
183.11670	2.5
185.13326	7.5
187.14841	23.3
189.12793	2.2
189.16383	29.2
191.14391	3.8
191.17984	18.4
193.15895	3.2
195.13937	2.5
197.13322	3.2
199.14964	4.3
201.16422	19.0
203.17961	52.4
203.19739	3.6
205.15887	43.5
205.19452	3.2
207.17430	15.3
211.14822	2.3
211.38101	2.1
213.16479	3.7
215.17938	11.7
217.19597	7.3
219.17551	6.9
221.15387	2.5
223.15076	2.9
223.16902	13.3
225.16393	2.2
227.18028	2.6
229.19595	8.6
231.17476	3.7
231.21115	5.1
239.18082	2.5
241.19647	2.6
243.21133	7.7
245.19086	2.8
247.20567	2.7
249.18527	2.4
253.19501	2.8
255.21132	5.5
257.22623	4.6
259.20615	4.3
269.22696	3.7
271.20721	2.2
285.25937	2.2
295.24179	5.9
299.34241	2.2
303.22885	2.0
313.25317	14.1
331.26340	11.9
339.26880	2.5
357.28098	3.4
391.33606	12.9
409.34656	35.6
427.35800	65.7
450.98996	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	427.3573
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
53.03942	0.9
54.59220	0.4
55.05509	2.3
57.07065	1.3
67.05509	3.4
69.07065	4.0
70.87203	0.4
71.38641	0.5
79.05505	2.9
81.07063	9.5
83.04995	0.6
83.08625	3.3
85.06529	0.7
91.05469	3.1
93.07043	9.4
95.08611	15.7
97.06509	0.7
97.10175	0.8
97.77225	0.4
99.08094	0.6
105.07037	7.4
107.08601	16.4
109.06538	1.2
109.10160	8.2
111.08051	0.5
117.07019	0.8
119.08593	11.8
121.06506	0.8
121.10153	11.3
123.08061	3.8
123.11716	2.8
125.09655	0.5
131.08554	4.6
133.10146	9.1
135.08063	1.7
135.11699	12.5
137.09642	1.1
137.13283	1.0
141.37976	0.4
143.08553	2.0
145.10141	6.2
147.11694	11.0
149.09642	1.1
149.13278	7.2
151.11211	1.2
157.10141	1.3
159.11710	4.6
161.13274	4.0
161.66771	0.4
163.11198	0.6
163.14833	6.9
165.12744	1.0
171.11694	1.3
173.13277	2.6
175.14841	3.2
177.12816	0.9
177.16394	4.7
179.07057	0.7
179.14285	0.7
185.13208	1.2
187.14827	8.6
189.16386	16.4
191.17934	2.6
199.14879	1.0
201.16386	4.7
203.14391	0.5
203.17912	1.6
205.15886	27.2
207.17451	15.6
207.70442	0.5
213.16345	1.2
215.17950	4.0
217.19566	0.7
219.17525	3.2
222.31013	0.5
225.16339	0.6
227.17986	0.7
229.19530	1.9
233.18954	0.6
241.19485	1.2
255.21126	2.6
269.22711	2.3
287.16418	0.8
287.23666	0.8
291.23093	0.4
331.26361	5.4
357.27966	2.2
391.33557	1.2
409.34723	7.1
418.17441	0.5
427.35739	100.0
428.35992	2.2
429.67786	0.5
448.96463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
53.03943	1.0
53.77274	0.5
55.05507	3.0
57.07069	2.3
58.50906	0.7
63.88096	0.7
67.05510	5.9
69.07077	6.9
69.72350	1.2
69.72739	3.1
72.05251	0.7
79.05497	6.2
81.03408	0.7
81.07059	13.9
83.08622	2.8
85.06556	1.2
91.05476	4.6
93.07043	14.4
95.08610	22.6
97.02930	0.9
97.10190	1.6
105.07037	11.9
107.08592	24.7
109.06506	1.6
109.10159	11.3
111.08086	2.0
117.07025	1.5
119.08588	17.0
121.10146	18.4
123.08105	3.5
123.11701	5.0
129.06992	1.2
131.08559	6.6
133.10132	13.2
135.08090	2.4
135.11694	17.9
137.09598	0.9
137.13266	1.6
139.11121	0.9
143.08571	1.8
145.10135	7.4
147.11697	14.5
149.09656	1.3
149.13261	11.8
151.11237	1.5
157.10110	2.5
157.52065	0.7
159.11702	5.2
161.13261	6.7
163.11256	0.8
163.14832	12.0
165.12747	1.8
171.11732	0.6
173.13281	2.9
175.14824	5.1
177.16397	9.7
179.07019	1.1
185.13289	2.0
187.14819	11.7
189.12828	0.8
189.16385	21.3
191.17957	3.1
199.14838	1.7
201.16403	6.1
203.17984	2.8
205.15880	56.5
207.17433	28.2
213.16473	2.0
215.17958	5.2
217.19545	1.7
219.17442	4.8
227.18030	1.5
229.19548	2.6
235.20615	2.3
235.97597	0.7
241.19492	1.6
243.51520	0.7
250.23161	0.8
255.15987	1.1
255.21088	4.4
259.87631	0.9
267.21030	1.0
269.22656	2.9
282.90118	0.7
287.16489	2.1
324.32648	7.6
331.26151	3.8
357.27945	1.7
359.21997	1.0
391.33435	2.6
409.34668	11.8
427.19699	3.0
427.35736	100.0
428.36197	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	427.3574
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
51.89150	0.7
55.05512	4.2
57.03418	0.9
57.07061	2.6
64.81094	0.7
65.03938	1.0
67.05500	7.8
69.03436	1.0
69.07072	9.4
70.97875	1.2
70.98212	1.3
71.04984	0.8
79.05494	5.4
81.07062	24.0
82.54474	0.8
83.04981	1.7
83.08623	6.1
91.05476	6.0
93.07047	17.7
93.07634	0.9
95.08612	38.6
97.06560	1.6
97.10162	2.2
105.07028	13.0
107.08604	27.1
109.10162	19.5
111.08051	1.7
111.11742	1.1
117.07020	2.0
118.19947	0.8
119.08585	35.4
121.06557	1.4
121.10148	24.6
123.08072	3.2
123.11723	10.4
125.09576	1.4
128.20549	0.8
131.08601	5.3
133.10149	12.8
135.08066	3.5
135.11690	25.8
137.09602	1.0
137.13278	5.5
143.08586	1.8
143.56293	0.8
145.10117	11.3
147.11700	12.2
149.09645	1.4
149.13272	11.0
151.11240	1.5
151.14801	1.1
153.12700	1.8
157.10133	2.5
158.10982	0.9
159.11708	11.6
161.13283	10.3
163.11272	0.9
163.14809	9.7
171.11679	1.7
173.13252	7.2
175.14853	7.4
177.16414	10.7
179.14299	1.3
185.13306	2.7
187.14825	13.2
189.12750	0.9
189.16382	13.7
191.14310	1.2
191.17952	19.9
199.14870	2.1
201.16408	6.2
203.17992	4.5
205.15889	20.4
205.19560	1.2
207.17484	8.5
211.14816	0.9
213.16452	1.8
215.18002	2.5
217.19516	1.9
219.17455	2.5
221.19029	1.0
227.17972	2.3
229.19479	2.4
231.21049	4.5
241.19554	1.1
243.21082	3.1
245.22699	11.8
255.21129	3.9
257.22641	3.8
259.24237	3.5
261.22180	1.0
267.21234	0.8
269.22604	2.2
285.25797	1.4
310.44812	1.0
331.26447	3.1
381.35172	20.3
391.33530	3.7
399.36200	8.0
409.34628	14.3
427.19586	1.8
427.24493	6.1
427.35709	100.0
428.36148	2.4
429.50067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91918	4.3
52.98228	3.4
55.05501	11.6
57.07060	7.5
63.84655	3.2
67.05497	14.9
69.07068	35.4
69.72610	3.7
71.52544	3.3
71.52975	5.2
78.89275	3.8
79.05495	10.2
81.07065	31.3
83.08629	16.6
91.05478	11.0
93.07040	17.5
95.08617	32.5
97.10160	7.2
105.07038	12.9
107.08598	25.1
109.10161	26.9
109.45087	3.7
119.08578	18.1
121.10148	30.0
123.11716	13.6
128.16533	3.4
131.08577	7.2
133.10144	9.4
135.11693	27.5
137.09650	5.5
137.13289	6.3
142.59782	3.6
145.10118	8.6
147.11726	10.4
149.09621	10.8
149.13251	12.6
159.11713	5.9
161.13223	7.6
163.11172	5.7
163.14850	6.2
165.09128	100.0
166.80841	3.8
175.11194	5.1
175.14851	9.9
177.09161	6.1
177.16458	6.1
187.14845	5.7
189.09027	4.1
189.16373	9.6
191.10786	5.3
191.17963	6.9
201.16345	5.8
205.12297	11.7
207.17416	7.0
219.13737	4.6
243.21259	3.8
245.22659	22.9
255.21017	6.4
257.22726	4.2
347.78238	4.5
381.35135	13.5
399.36185	6.1
409.34595	18.8
427.19550	6.8
427.30756	6.4
427.35782	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
55.05514	1.6
67.05496	2.8
69.07069	4.4
79.05497	2.8
81.07056	10.8
83.04988	2.9
83.08622	3.1
91.05472	2.1
93.07046	7.3
95.08608	14.5
95.09183	1.3
97.10170	0.7
98.21530	1.8
105.07036	7.3
107.08601	14.4
109.06511	1.2
109.10146	8.4
111.08061	0.7
119.08578	7.5
121.06476	1.0
121.10153	11.4
123.08103	1.4
123.11717	5.0
131.08594	2.1
133.10138	4.7
135.08076	3.4
135.11690	9.2
137.13211	1.3
138.36543	0.8
139.11086	1.0
143.08630	0.7
145.10153	2.5
147.11708	3.9
149.09622	13.1
149.13234	3.5
157.10170	0.8
159.11719	3.2
161.09622	1.1
161.13239	4.8
163.11134	1.9
163.14822	1.7
171.11687	0.9
173.13251	2.5
175.14847	5.1
177.16386	10.7
187.14894	1.6
189.16428	2.9
191.17981	2.1
199.14868	1.3
201.16437	3.1
213.16374	1.0
215.17947	1.3
217.15886	1.4
219.17371	4.3
229.19588	1.5
230.00502	0.8
233.18990	1.4
235.16963	1.5
245.22806	0.7
247.20523	1.1
255.21074	1.6
269.22781	0.8
273.22137	8.6
285.22195	0.9
409.34619	2.3
427.14825	4.1
427.35739	100.0
428.16367	1.4
428.36203	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	427.3575
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03951	4.6
55.05517	6.8
55.35030	3.7
67.05502	15.1
69.07069	11.4
69.42089	22.2
79.05508	9.5
81.07066	37.6
83.08614	7.9
90.29867	3.3
91.05489	15.6
93.07045	29.8
95.08617	56.8
98.20789	7.8
99.35123	3.0
105.07037	20.8
107.08601	51.7
109.10169	36.9
117.07044	3.1
119.08600	38.9
121.10142	39.4
123.11729	15.7
131.08557	10.8
132.26341	3.2
133.10123	35.1
135.11708	39.3
137.13245	5.6
137.75845	3.3
143.08606	4.1
145.10049	16.5
147.11705	33.2
149.13246	22.8
159.11710	15.2
161.13234	25.8
163.14893	16.7
171.11665	6.0
173.13283	10.0
175.14888	16.9
175.86465	3.4
177.16394	17.9
179.14363	5.8
185.13225	4.9
187.07533	3.1
187.14856	28.8
189.16403	34.6
191.17978	37.1
199.14970	5.7
201.16434	24.1
203.17987	18.7
205.15901	38.0
207.17455	28.9
215.17972	9.3
217.15851	3.9
217.19505	8.2
219.17468	16.3
227.18022	4.5
229.19601	8.9
231.21136	4.2
239.18048	3.3
243.21161	4.3
245.22649	14.1
247.20604	5.2
255.21147	11.2
257.22745	4.0
259.24173	6.4
269.22726	8.4
284.89270	3.6
381.35168	31.5
391.33591	14.7
399.36282	12.8
409.34702	71.3
427.30185	5.9
427.35724	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	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.1
57.07080	4.9
57.64012	2.5
67.05508	29.3
69.07075	19.3
69.78297	2.4
71.52667	2.7
79.05499	21.2
81.07057	53.6
82.09278	2.3
83.04955	3.0
83.08623	9.4
85.06538	4.4
91.05476	19.6
93.07047	39.8
95.08611	100.0
96.08910	3.2
97.06561	5.5
97.10183	6.1
105.07037	46.4
105.20612	2.2
106.07369	2.3
107.08599	74.6
109.06530	3.5
109.10162	74.2
111.08091	3.4
113.74976	2.3
117.07034	5.2
117.90021	2.2
119.07913	2.7
119.08591	57.2
121.06527	2.9
121.10150	69.4
123.08057	4.3
123.11710	19.4
125.09589	2.6
130.07790	2.6
131.08565	11.3
132.54851	2.4
133.10135	47.5
134.10414	2.3
135.08041	7.3
135.11700	38.3
137.05984	3.6
137.09656	4.3
137.13269	4.0
143.08505	5.4
145.10153	24.9
147.11696	39.0
149.09647	5.6
149.13272	27.5
151.11203	2.8
151.14796	3.0
157.10126	8.4
159.11713	18.5
161.13246	46.3
163.11148	4.6
163.14813	26.3
165.09097	6.7
165.12743	3.6
165.16374	3.1
169.10158	2.8
171.11664	6.6
173.13295	17.1
175.11259	4.3
175.14856	37.2
177.12721	3.0
177.16406	30.1
184.12566	3.4
185.13266	5.0
187.14828	25.5
189.16409	24.8
191.14253	8.9
191.17966	20.2
193.15930	4.1
199.14832	4.5
201.16374	17.8
203.14397	5.6
203.17970	81.8
205.15912	31.7
205.19380	4.2
207.17401	4.9
213.16418	7.6
215.17944	9.8
217.19489	6.5
219.17296	5.9
223.16959	16.4
224.55293	2.3
227.18123	4.0
229.19391	4.1
231.17525	4.5
231.21123	6.6
239.17961	4.1
241.19484	4.8
245.19023	3.0
257.22867	3.0
285.25851	4.0
295.24277	7.4
313.25241	15.5
331.26266	12.5
366.39819	2.8
391.33612	8.4
409.34784	20.9
427.36008	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	428.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.5
55.01869	6.1
56.96563	29.9
57.03436	7.1
61.02938	10.4
67.05509	3.5
69.03087	3.0
69.03434	39.3
69.52949	13.4
70.03761	2.2
70.06615	4.0
71.04998	5.6
72.08165	2.9
73.02925	10.9
78.31664	1.8
79.05499	19.0
80.05798	2.3
81.03415	16.0
81.06635	1.9
81.07066	11.4
84.96040	6.3
85.02910	83.8
86.03258	3.7
87.04482	11.0
90.55965	2.0
90.67337	1.9
91.03964	7.0
91.05482	10.5
93.07067	10.5
95.04964	2.7
95.08604	5.8
97.02894	29.1
98.20805	3.9
98.97585	100.0
99.04460	5.7
101.02412	2.4
102.96918	3.6
105.07036	8.8
107.04958	2.3
107.08591	15.5
109.02857	10.0
109.06516	9.8
110.97576	20.9
111.08096	3.1
112.99139	3.6
113.11057	2.1
115.03896	2.3
116.98622	29.9
121.06497	29.2
122.06921	3.5
123.01209	2.4
123.08091	5.7
124.99146	2.4
127.03916	21.8
128.98615	13.2
134.99680	3.4
135.04457	3.6
137.05986	47.0
138.06334	4.2
139.07541	2.7
141.09149	2.0
143.00150	11.4
143.10661	5.7
144.98155	3.3
145.04951	19.3
146.99631	4.7
147.04427	2.2
148.07614	6.1
150.05446	4.4
150.09247	3.9
153.59950	2.1
158.99669	41.4
161.01213	5.4
161.02986	2.3
161.04851	2.4
163.03926	21.7
165.04922	2.2
170.04218	2.8
170.99655	8.0
171.03363	3.4
171.04878	3.7
172.05708	6.9
177.00720	23.6
177.02264	7.9
178.03871	2.9
179.04643	6.6
180.05446	24.0
180.55666	4.4
181.06161	4.6
182.03392	3.6
185.04814	3.8
186.04526	2.7
187.04462	9.2
187.06326	3.0
189.00740	4.2
189.05989	16.4
190.06728	5.1
191.03929	4.6
192.06499	2.4
193.01862	2.6
195.03325	9.9
197.01207	5.7
197.04855	12.4
199.06505	7.1
201.00706	6.2
211.02826	4.4
213.04431	3.1
215.02289	2.3
215.05980	7.3
217.07463	5.1
218.04657	2.9
219.01758	32.4
223.00952	2.7
223.02808	5.4
229.03838	3.6
232.09300	2.3
233.06958	3.7
237.02698	21.6
239.02298	7.0
239.05942	26.2
241.03889	3.5
248.09189	5.6
253.03786	4.3
257.06989	7.2
258.05826	3.6
258.09344	3.9
259.06430	4.0
259.56638	4.4
260.07358	6.9
261.08118	21.8
261.58395	4.2
262.08905	8.6
266.13889	8.5
267.01785	4.3
267.06226	6.3
268.07050	7.4
269.07803	3.9
269.57956	2.7
270.08643	4.5
275.08261	2.6
279.03873	2.9
283.01187	2.4
285.02786	34.8
291.08160	2.8
303.03903	31.8
306.11560	3.9
306.61548	2.7
309.02924	4.8
313.12344	2.6
321.04904	2.7
327.03885	53.0
329.10629	9.7
337.60632	6.5
338.11206	70.3
338.61356	16.5
339.12106	16.8
340.12433	3.7
345.04916	7.3
345.12100	2.7
347.11676	2.5
350.05396	2.6
355.07190	2.6
357.08521	5.3
359.10153	22.0
361.11746	14.7
369.05020	9.6
373.08011	8.9
375.09546	3.5
377.11227	20.8
379.12756	14.5
410.14389	4.2
427.62830	2.6
428.15247	17.0
428.19711	5.0
429.06647	3.7
429.13669	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	428.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60770	0.9
52.83042	0.7
53.03943	3.4
55.01872	1.0
57.03438	1.8
58.14832	0.7
62.33617	0.8
67.05503	1.9
69.03442	10.8
69.39171	4.2
69.39583	2.1
70.06597	2.0
71.04999	2.2
72.08145	1.4
73.02917	2.2
73.91762	0.8
78.03026	1.3
78.03450	9.5
79.05494	17.3
79.05923	1.5
80.05018	2.3
81.03423	13.2
81.07068	4.4
84.08146	2.4
85.02905	12.4
86.09704	1.3
91.05495	1.9
95.04985	1.0
95.08592	0.9
96.04487	2.2
97.02887	5.9
99.04453	3.0
99.08098	3.5
105.07016	2.1
106.02916	49.3
107.08595	24.0
109.02886	10.7
112.05092	1.1
115.03936	2.2
117.09141	10.4
124.03955	100.0
125.04269	0.8
125.09640	3.4
127.03940	6.5
129.10243	1.2
135.04410	0.8
137.05980	1.2
143.10683	4.6
145.05014	1.8
150.07776	1.0
162.12840	0.9
163.03922	1.9
163.09621	1.1
164.07071	3.7
165.07480	1.8
166.04987	2.6
179.65128	0.8
184.19043	0.7
226.07199	1.3
232.05978	3.7
233.11890	0.8
241.81340	0.8
250.07101	14.2
268.08167	65.3
286.09213	7.6
287.46936	0.8
374.15948	2.2
392.16989	3.0
410.18082	20.1
428.19257	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	428.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03955	2.8
55.01866	0.7
57.03439	1.4
65.03939	0.6
67.05503	1.2
69.03433	8.3
70.06581	0.9
70.17169	2.0
71.04995	1.3
72.08148	0.6
73.02927	0.8
78.03459	9.3
79.05495	17.2
80.05010	2.2
81.03422	13.0
81.07059	3.5
84.08142	0.8
85.02908	9.7
86.09713	1.2
89.38084	0.6
91.05489	2.1
93.07050	0.6
95.08596	0.7
96.04488	2.1
97.02895	2.8
98.06145	0.6
98.20774	0.5
99.04462	2.4
102.99306	0.6
105.07039	1.9
106.02921	50.0
107.08598	20.7
109.02879	10.3
109.10175	0.8
119.04948	0.5
119.06064	0.7
121.06499	0.7
124.03960	100.0
125.09628	4.5
127.03918	5.4
143.10690	5.3
145.04958	0.9
147.04462	1.0
149.05899	0.6
154.26564	0.5
164.07088	1.4
165.07460	1.3
166.05013	1.6
196.06047	0.9
208.06107	0.8
208.74731	0.6
226.07137	1.7
232.06061	3.2
233.11847	0.5
250.07132	14.9
268.08176	67.3
269.08435	0.7
284.07776	0.6
286.09232	8.6
356.14877	0.5
374.16043	1.8
392.17209	3.2
410.18115	24.6
428.19354	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	428.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01870	4.5
55.05515	4.8
57.03426	2.5
57.07076	8.0
57.81266	0.6
61.02925	1.7
67.05504	0.7
68.07970	0.5
68.99785	1.7
69.03092	1.0
69.03430	11.2
71.04992	1.2
73.02905	2.3
81.03418	8.9
81.07063	0.7
83.08621	2.4
85.02908	27.8
87.00828	11.8
87.01350	0.6
89.06039	21.6
91.03942	1.0
95.08582	0.5
95.93989	0.5
97.02901	10.3
99.04465	5.0
101.09661	10.9
105.01295	0.7
105.01882	8.1
107.07070	23.5
109.02886	9.5
110.78107	0.5
112.51035	0.6
117.01857	1.1
127.03922	17.1
129.01833	1.2
131.04956	1.2
145.04973	8.0
145.12202	1.0
147.02834	0.8
154.09827	0.6
159.02921	7.4
163.13301	100.0
164.13707	0.7
166.78435	0.5
181.08635	0.8
213.03922	1.6
216.72609	0.6
216.89114	0.6
231.04939	3.2
289.97232	0.6
300.95819	0.6
311.53372	0.6
384.17319	1.0
428.16165	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	428.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
56.05844	0.8
57.07076	0.8
67.05502	2.6
68.05839	0.4
69.07070	3.4
70.07401	0.8
71.04990	0.6
74.79686	0.4
79.05495	2.6
80.05840	0.8
81.07059	7.8
82.07388	2.4
83.04971	0.7
83.08620	1.7
84.08957	0.6
91.05477	2.3
92.05815	0.9
93.07048	7.6
94.07362	2.4
95.04967	0.7
95.08616	10.9
96.08942	4.3
97.06526	0.6
97.10162	1.0
99.08082	0.6
105.07035	5.6
106.07352	2.2
107.08611	11.1
108.08932	3.9
109.06547	1.2
109.10152	5.5
110.06855	0.7
110.10521	2.4
111.08089	1.2
119.08579	7.9
120.08918	3.2
121.06530	1.0
121.10143	8.2
122.10476	3.0
123.08099	2.4
123.11700	1.6
124.08418	1.0
124.12061	0.9
131.08553	3.5
132.08923	1.6
133.10132	6.1
133.32413	0.4
134.10474	3.4
135.08092	1.2
135.11705	8.5
136.08311	0.5
136.12029	4.8
137.09639	1.1
137.13243	0.7
143.08562	0.7
144.08847	0.5
145.10143	4.1
146.10493	2.6
147.11705	5.7
148.12030	4.2
149.09628	0.5
149.13301	4.6
150.13615	2.7
151.11166	0.9
157.10168	0.7
158.10464	0.7
159.11713	2.7
160.12033	1.9
161.13362	2.4
162.13640	1.7
163.11136	0.7
163.14848	3.8
164.15164	2.8
165.12732	0.7
171.11661	0.5
173.13297	1.2
174.13643	0.7
175.14853	0.9
176.15202	1.5
177.16409	2.5
178.16736	2.2
185.13197	1.0
186.13568	0.7
187.13219	0.6
187.14838	5.5
188.15126	4.1
189.16377	7.5
190.16724	7.4
191.17870	0.7
192.18254	1.0
200.15300	0.6
201.16370	2.3
202.16682	2.6
203.17989	0.7
204.18346	0.9
205.15895	14.8
206.16225	13.7
207.17468	7.6
208.17793	7.1
213.16441	0.7
215.17969	1.9
216.18297	1.7
217.19406	0.6
218.19841	1.0
219.17462	0.9
220.17874	1.3
229.13028	0.7
230.19872	1.0
231.21056	0.6
236.20978	0.5
241.19536	1.0
242.19846	0.8
255.21078	1.2
256.21356	1.6
256.51187	0.5
270.23056	1.2
275.73111	0.4
292.23804	0.7
331.26218	0.8
332.26569	3.4
358.28265	1.2
373.67398	0.5
392.33939	1.0
410.34805	6.2
428.36063	100.0
429.36148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.08
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80766	8.4
56.96560	18.9
69.03421	9.1
69.84795	33.2
73.04758	7.8
85.02882	17.6
85.71593	8.0
98.20850	13.9
98.97564	36.7
113.48949	9.1
137.05977	23.0
158.99672	17.9
177.00833	9.3
239.02193	14.1
285.02863	56.9
303.03836	63.6
309.02722	9.9
309.11569	14.9
327.03925	100.0
345.05115	15.6
369.05090	12.4
383.14908	11.5
429.07928	59.6
429.21109	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	30.5
61.14029	13.0
62.76610	10.1
69.03422	15.8
70.29122	33.1
85.02900	37.5
85.52977	9.4
98.97581	89.2
110.97569	15.9
116.98634	18.7
137.05951	16.6
158.99640	48.8
173.01282	27.9
177.00827	11.5
177.02296	16.0
221.01259	13.5
233.56876	9.9
239.02443	11.7
249.03004	9.3
279.03864	11.2
285.02902	51.0
303.03879	36.1
309.04932	15.6
315.15201	10.8
327.03873	86.1
338.61389	19.6
345.05032	16.1
369.04831	17.7
429.07837	100.0
429.12186	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01873	5.8
55.05511	2.2
56.09403	0.8
57.03445	4.7
61.02919	3.6
62.78479	1.1
65.03934	1.3
67.05488	1.8
68.99786	2.4
69.03433	25.2
69.07072	1.3
71.01342	1.2
71.05000	3.4
71.52273	1.9
73.02932	4.8
77.48039	0.9
79.05482	4.2
81.03428	23.0
81.07062	7.2
83.04996	3.1
85.02909	43.5
87.00832	16.2
87.04472	1.2
91.03979	1.7
91.05479	5.4
93.07040	9.7
95.04977	18.1
95.08609	2.2
97.02894	14.9
97.06525	1.4
98.03203	0.9
99.04461	8.6
103.03973	2.1
105.01866	13.1
105.06524	0.8
105.07052	8.9
105.35453	0.8
107.08601	10.0
109.02888	24.4
109.06518	3.9
115.03966	1.2
117.01849	2.0
117.07040	2.7
119.08587	4.1
121.06516	4.0
121.10136	9.8
123.08102	1.9
123.08952	1.1
125.06010	2.4
127.03925	35.8
128.06233	0.9
129.01854	3.3
130.07805	2.1
133.06476	1.3
133.10132	1.2
135.08040	2.0
135.11676	6.5
137.06013	1.7
139.88028	0.9
143.08632	1.4
145.04970	14.1
145.10129	12.5
147.02919	3.0
147.04416	4.4
147.08025	2.9
148.08847	1.1
149.05986	1.6
157.79433	1.0
159.02904	13.4
161.09634	2.6
163.03993	1.4
163.11192	100.0
165.09225	2.0
165.12875	1.7
167.07047	2.8
175.11203	3.5
181.12187	5.2
189.03903	2.4
205.12207	6.1
213.03806	1.4
223.13300	7.9
231.05034	9.2
271.13165	1.5
393.15485	3.2
411.16492	1.9
429.17078	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
55.01853	3.0
55.05504	11.8
57.03439	15.7
67.05515	12.8
68.19020	2.6
69.03433	29.6
69.07067	5.4
71.01355	2.7
71.04984	7.7
71.52857	4.0
73.02921	3.1
79.05484	10.1
81.03425	70.3
81.07073	16.4
83.04979	17.0
83.08613	14.0
85.02924	23.3
91.05479	18.3
93.07028	10.5
95.04964	19.2
95.08589	7.9
97.02296	3.4
97.02896	43.2
97.10153	3.1
99.04430	4.3
105.07014	14.0
107.08582	8.5
109.02866	11.8
109.10145	4.2
111.04430	8.3
111.08085	7.4
119.08562	11.5
121.06483	4.1
121.10141	9.5
124.25981	2.3
125.09597	2.7
127.03877	10.2
128.57236	2.4
129.05411	4.5
129.06952	6.5
131.08546	9.5
133.10143	6.3
135.11665	4.4
136.12007	2.5
138.01598	3.0
145.10115	4.7
147.11655	10.1
149.09572	6.8
157.10135	8.6
163.11154	5.0
171.11774	3.1
175.11176	9.9
181.12318	2.9
193.12265	46.0
211.13303	100.0
227.12746	3.7
229.14294	5.7
249.14902	5.2
253.16911	2.6
285.17004	6.3
327.80942	2.8
355.17502	2.8
385.83298	3.4
429.15921	4.8
429.21295	76.9
429.32254	8.6
430.21414	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	429.2121
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
51.89508	0.9
53.03952	1.8
55.01880	2.8
55.05515	2.6
57.03438	3.7
59.05007	1.1
61.02925	3.9
65.30369	1.1
67.05504	4.1
69.03436	13.9
69.07079	2.8
70.06601	1.4
70.48984	1.0
71.05001	3.6
71.51831	1.4
73.02941	2.5
75.04507	2.3
79.05508	5.3
81.03420	4.7
81.07080	6.3
83.05000	2.3
84.43249	1.0
85.02913	29.2
85.06545	4.2
86.09731	1.6
91.05463	5.7
93.07050	12.9
95.04990	5.8
95.08623	6.6
97.02899	9.6
97.06520	7.3
99.04474	2.6
103.05521	1.1
105.07040	13.9
107.04943	2.4
107.08623	6.4
109.02911	5.0
109.06524	21.1
109.10174	4.9
111.04474	1.6
111.08098	8.0
113.06029	2.4
117.07034	3.0
117.37312	1.2
118.03717	1.1
119.04988	1.1
119.08594	23.5
121.06573	5.5
121.10155	56.8
123.08088	8.0
123.11689	1.4
125.05991	1.0
125.09657	1.5
127.03967	6.5
129.06999	1.9
131.08585	4.8
133.06499	7.5
133.10136	7.5
135.08046	9.1
137.05957	1.5
137.09616	18.3
142.07806	1.8
143.08578	5.6
145.04971	5.2
145.06482	1.6
145.10150	8.3
147.04439	5.5
147.08066	6.2
147.11699	8.9
149.09604	5.0
155.08598	1.9
156.09274	5.1
157.10126	9.8
159.11726	5.5
161.09622	15.8
161.13257	12.1
163.11209	4.5
165.09140	2.3
169.10175	2.8
170.10971	2.1
171.08110	1.2
171.11703	17.6
172.08838	1.6
173.09647	7.3
173.13338	1.9
174.10449	1.5
175.07457	1.5
175.11131	5.9
175.14851	1.7
177.12756	1.7
179.10728	2.1
180.09288	2.4
185.13306	4.2
187.11212	2.9
189.09149	3.8
189.12749	33.2
191.10733	3.7
195.11685	5.7
198.10440	1.5
201.12762	2.5
203.14268	6.1
205.12300	1.3
207.10292	5.0
207.13820	30.9
207.15775	2.0
213.12775	10.4
219.01622	1.1
219.13783	7.7
223.13394	1.5
231.13808	21.2
249.14879	41.7
267.15939	100.0
268.16284	1.6
292.58313	1.2
429.17096	3.9
429.21866	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	429.212
Annotation	Dentatin A
Peak:m/z	Relative Intensity
52.44547	1.0
53.03946	2.3
55.01871	2.3
55.05507	1.6
56.59975	1.1
57.03429	4.5
61.02913	3.1
63.47348	1.6
65.06486	1.0
67.05525	2.4
69.03430	9.8
69.07071	2.8
70.00436	5.1
71.05000	2.6
73.02921	2.0
75.04472	4.3
79.05484	2.6
81.03410	5.8
81.07068	6.0
82.72974	1.1
83.04953	1.4
85.02909	29.2
85.06569	1.6
86.09682	1.3
91.03969	2.3
91.05476	6.6
93.07037	11.6
95.04980	2.8
95.08615	14.0
97.02907	10.1
97.06535	5.1
98.20869	1.8
99.04450	3.0
105.07050	11.3
107.04946	2.0
107.08592	8.9
109.02906	3.2
109.06533	5.2
109.10186	1.8
111.04447	1.5
111.53037	1.1
117.07048	2.1
119.04931	2.1
119.08599	13.4
121.06508	27.3
121.10143	7.0
123.04395	1.8
123.08099	2.8
125.06000	7.4
127.03968	6.4
129.06972	1.7
131.04909	1.6
131.08586	4.4
133.06500	4.0
133.10135	4.9
135.08063	6.4
137.05991	5.0
137.09668	1.2
142.07780	3.3
143.08583	5.6
145.04950	7.1
145.06517	2.1
145.10127	9.8
147.04422	4.9
147.08044	24.8
147.11659	7.9
149.05986	3.6
149.09610	2.6
151.07491	1.1
156.09299	2.4
157.10094	8.9
159.08063	7.7
159.11684	4.8
160.08847	3.6
161.09636	16.2
161.13251	6.3
163.07533	4.2
163.11195	7.4
169.10069	1.5
171.08055	2.4
171.11705	3.9
172.08823	2.6
173.09615	12.4
173.13211	1.9
174.10408	14.1
175.07591	2.6
175.11197	33.0
175.14651	2.2
176.08397	1.3
177.09113	1.4
177.12718	6.8
181.12271	1.4
183.08031	2.6
185.09642	2.7
185.13300	7.0
187.11269	2.4
188.11909	1.4
189.12761	28.6
191.10683	28.1
191.14354	3.5
193.12251	8.0
195.11824	1.4
198.10420	5.0
201.12762	4.6
203.14334	12.6
213.12732	19.1
219.13811	92.2
220.14134	1.7
231.13808	100.0
232.14070	1.6
249.14871	61.1
249.17462	2.9
267.15915	54.1
274.34338	1.0
429.21423	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	429.2121
Annotation	Dentatin A
Peak:m/z	Relative Intensity
55.01868	3.1
57.03435	5.8
62.82407	2.0
69.03435	9.7
69.07062	2.9
69.93084	4.5
69.93472	4.7
71.04999	2.3
75.04477	6.4
79.05489	3.9
81.03423	6.4
81.07052	4.4
85.02907	25.1
85.06542	5.6
86.09692	3.9
86.13770	1.7
91.03948	3.0
91.05489	6.0
93.07037	10.5
95.04961	2.4
95.08624	16.1
97.02897	10.4
97.06541	3.4
105.07033	13.6
107.08591	6.7
109.02880	4.6
109.06522	6.3
111.08058	2.0
119.04977	4.0
119.08619	10.8
121.06505	29.9
121.10141	3.3
125.06000	7.9
127.03947	7.9
129.28172	1.9
131.08511	2.8
133.06512	4.7
133.10172	5.3
135.08064	5.1
137.06010	4.2
142.07758	2.5
143.08568	6.9
145.04968	7.3
145.10117	7.1
147.04373	5.1
147.08080	19.8
147.11696	9.6
149.06021	3.2
149.13344	2.1
157.08963	1.8
157.10153	9.2
159.08070	7.1
159.11678	8.2
160.08940	2.3
161.09645	15.9
161.13252	5.7
163.07549	4.5
163.11168	7.3
171.11702	4.3
172.08861	4.1
173.09677	12.1
173.13274	3.3
174.10455	13.5
175.11189	36.2
175.14789	4.1
177.12753	6.4
185.09673	2.0
185.13318	6.3
189.12808	26.2
191.10667	28.5
191.14330	4.3
193.12292	8.3
198.10419	4.1
201.12759	4.5
203.14285	17.5
213.12737	22.4
219.13812	94.9
221.15413	2.2
231.13817	100.0
233.11739	2.5
249.14879	55.6
267.15945	53.3
283.15039	2.0
307.02533	1.9
429.21332	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	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
55.01853	3.0
55.05504	11.8
57.03439	15.7
67.05515	12.8
68.19020	2.6
69.03433	29.6
69.07067	5.4
71.01355	2.7
71.04984	7.7
71.52857	4.0
73.02921	3.1
79.05484	10.1
81.03425	70.3
81.07073	16.4
83.04979	17.0
83.08613	14.0
85.02924	23.3
91.05479	18.3
93.07028	10.5
95.04964	19.2
95.08589	7.9
97.02296	3.4
97.02896	43.2
97.10153	3.1
99.04430	4.3
105.07014	14.0
107.08582	8.5
109.02866	11.8
109.10145	4.2
111.04430	8.3
111.08085	7.4
119.08562	11.5
121.06483	4.1
121.10141	9.5
124.25981	2.3
125.09597	2.7
127.03877	10.2
128.57236	2.4
129.05411	4.5
129.06952	6.5
131.08546	9.5
133.10143	6.3
135.11665	4.4
136.12007	2.5
138.01598	3.0
145.10115	4.7
147.11655	10.1
149.09572	6.8
157.10135	8.6
163.11154	5.0
171.11774	3.1
175.11176	9.9
181.12318	2.9
193.12265	46.0
211.13303	100.0
227.12746	3.7
229.14294	5.7
249.14902	5.2
253.16911	2.6
285.17004	6.3
327.80942	2.8
355.17502	2.8
385.83298	3.4
429.15921	4.8
429.21295	76.9
429.32254	8.6
430.21414	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	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.07381	0.7
55.05508	1.9
57.07081	17.0
67.05523	4.5
68.90632	0.7
69.07078	4.8
71.08298	0.9
71.08642	10.7
71.37504	1.4
79.05498	1.7
81.07054	5.5
83.08634	1.6
85.10194	6.1
91.05482	1.2
93.07052	1.6
95.08625	6.7
97.10165	2.3
105.07027	1.4
107.08605	4.6
109.10143	4.7
111.04467	1.0
111.11726	1.2
119.08566	2.7
121.10167	3.4
122.07315	1.0
123.08111	1.1
123.11733	1.2
124.34895	0.7
125.13260	0.7
131.08560	2.6
133.10173	1.3
135.08057	4.0
135.11661	2.0
137.09624	8.6
139.07547	2.5
145.06587	0.7
145.10124	2.1
149.09644	14.7
151.07581	1.3
151.11163	0.7
159.11667	1.9
161.09650	0.8
162.06750	0.8
163.11195	23.0
165.09123	100.0
173.09604	2.3
173.13152	0.9
175.11180	5.6
176.08368	0.9
177.09113	13.3
177.12819	2.4
179.10677	1.7
186.10347	0.7
186.44630	0.6
187.11232	3.3
189.12755	1.3
190.09866	1.4
191.10674	10.8
201.12683	3.5
203.10677	1.9
203.14326	1.4
205.12262	9.9
205.36342	0.7
215.14311	2.3
219.13800	5.9
220.28207	0.7
229.16032	0.9
233.15437	3.5
247.17032	1.0
261.18576	1.1
271.20645	0.8
275.20004	1.2
289.21625	2.1
303.23260	1.7
317.24631	2.0
319.89517	0.9
331.26517	1.2
359.29440	1.4
373.30988	1.4
401.34143	3.0
411.36224	3.2
429.37320	65.6
430.37561	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	430.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24390	0.2
53.03938	0.5
55.01868	0.9
56.96299	0.3
56.96570	4.0
57.03436	2.1
59.04981	0.3
61.02929	3.3
61.57535	0.2
65.20525	0.2
67.05515	0.3
69.03435	5.7
70.06590	0.4
71.01365	0.4
71.04981	0.6
71.51452	0.3
73.02920	4.7
79.05494	1.9
80.05816	0.3
81.03428	2.0
81.07056	1.3
84.04542	0.2
84.08132	0.4
84.62702	0.2
84.96033	1.4
85.02908	13.7
86.03240	0.5
86.09730	0.3
87.04468	1.3
89.00762	0.2
91.03969	1.9
91.05491	0.7
94.04054	0.5
95.08609	0.4
97.02893	6.3
97.96804	0.2
98.03226	0.3
98.67109	0.2
98.97585	14.8
99.04454	1.4
99.97909	0.6
100.04747	0.3
101.02386	0.2
102.96914	0.3
103.03921	0.2
104.01295	0.3
105.00163	0.2
105.07009	0.4
107.04922	0.3
107.08605	0.9
108.08949	0.2
109.02874	1.3
109.06511	1.4
110.01283	1.4
110.97572	2.9
112.99149	0.6
115.03940	0.7
116.98623	4.3
117.99067	0.2
119.01829	1.6
119.03570	1.0
119.04968	0.4
121.06505	0.7
124.99146	0.8
127.03929	3.4
128.02362	0.6
128.69810	0.2
128.98621	2.5
131.00166	0.5
131.01817	0.6
133.04953	0.4
133.06491	0.2
134.99673	0.8
135.04440	0.3
136.06189	100.0
137.04707	0.5
137.05957	7.4
138.06300	0.7
140.02313	0.8
140.98586	0.8
143.00186	1.2
143.01846	0.3
143.10666	0.2
144.02539	0.3
144.98105	0.4
145.01634	0.2
145.04950	2.4
146.02290	1.2
146.05357	0.2
146.99638	0.8
147.03136	0.5
147.04346	0.4
152.02260	0.4
152.05663	0.3
152.98586	0.5
154.93297	0.2
155.00095	0.3
155.02823	1.1
158.92755	0.2
158.99663	6.3
160.00064	0.6
161.01462	1.1
161.02779	1.3
161.05984	0.3
162.03577	0.2
162.99142	0.3
163.03947	0.9
164.03331	0.2
165.05496	0.4
169.01714	0.3
169.05363	0.4
170.03406	0.8
170.99658	2.5
172.05696	1.1
172.55891	0.4
172.94368	0.7
173.01277	0.5
173.02832	0.3
177.00734	2.8
177.02185	0.4
178.01100	0.3
178.02472	0.5
178.03864	0.6
179.00096	0.3
181.06271	0.3
182.03365	2.0
182.08145	1.2
182.99690	0.7
185.01266	0.7
186.99194	0.3
187.04407	2.4
187.06140	0.3
187.54660	0.3
189.00716	2.1
189.04051	0.4
190.06691	0.2
190.95425	0.4
191.02220	0.4
191.03888	4.8
193.01770	0.3
194.99701	0.4
195.03462	0.2
197.01279	0.5
199.06494	0.6
200.04369	1.6
201.00728	2.0
203.02263	0.3
209.04776	0.2
211.02856	1.0
213.00755	0.5
214.95477	0.4
217.07498	0.3
219.01772	4.8
219.03319	0.2
220.02251	0.4
221.05034	0.3
224.03018	0.5
225.00752	0.5
229.03868	0.7
229.07555	0.2
231.01785	0.5
235.02805	0.5
235.08495	0.3
237.02795	3.5
238.03302	0.4
239.02266	0.5
240.02596	0.3
241.03908	0.4
241.07675	0.3
241.90553	0.2
243.01881	0.5
245.00189	0.2
248.95848	0.4
249.59071	0.2
250.06090	0.6
250.10808	0.3
251.05949	0.3
253.03833	1.0
254.09109	0.3
255.03970	0.6
257.03241	0.3
258.59583	0.3
259.06522	10.6
259.56787	1.3
261.02863	1.6
262.08960	1.1
262.59137	1.2
263.05972	1.2
268.07086	1.9
268.10419	3.6
268.57211	0.5
269.07950	0.5
271.04926	0.4
272.06528	16.7
272.56708	1.9
279.03903	1.7
279.06750	0.3
279.57782	0.6
281.07071	0.2
282.97836	0.2
283.04730	0.2
284.99811	0.4
285.02850	1.4
285.08060	0.2
286.03134	2.6
288.99210	0.3
291.03906	0.5
292.57919	0.3
294.03622	0.2
298.11469	0.6
303.00653	0.8
303.03894	2.2
304.04181	2.9
307.00192	0.3
310.03128	0.5
310.06226	0.3
310.09360	0.2
321.04922	0.9
323.04471	0.2
327.03821	1.8
328.04202	4.1
330.61844	0.5
331.11795	0.3
339.12097	0.8
339.62271	2.6
340.09210	0.6
340.12881	1.2
340.63031	0.3
343.10913	0.2
345.05072	0.3
346.05264	0.9
346.99664	1.0
349.09656	1.9
349.59982	0.5
351.05655	0.3
355.07239	1.2
356.07327	0.3
361.11768	1.4
362.11987	0.7
363.05933	0.3
365.00647	1.5
370.04807	1.3
371.06744	0.3
373.07947	1.7
374.08130	0.3
379.12683	1.6
380.12933	1.1
381.07047	0.6
389.00879	0.6
415.09189	0.3
423.08255	1.1
430.07162	0.4
430.16074	4.9
448.08044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77627	0.6
53.03954	8.0
53.56391	0.7
54.59833	0.7
55.01877	10.1
57.03238	0.6
57.03442	6.4
60.04519	1.7
61.02932	5.7
68.99789	3.1
69.03435	30.7
70.54608	1.7
71.04993	5.1
73.02922	8.0
81.03428	28.5
83.01341	1.0
85.02914	100.0
87.00842	36.7
87.04478	1.5
91.03961	2.5
95.51916	0.7
97.02901	37.9
98.06073	0.7
98.20786	0.8
99.04464	19.1
99.05118	0.9
105.01878	36.1
108.04491	9.7
109.02892	35.8
115.03928	1.5
117.01852	4.2
124.05208	1.0
126.05549	4.0
127.03929	84.9
129.01855	5.3
137.06007	2.9
145.04974	48.9
147.02876	4.8
148.05183	1.1
152.79007	0.8
157.06483	0.8
159.02910	29.0
159.72125	0.7
165.09167	1.8
177.03998	2.0
189.03957	2.0
189.09122	5.4
191.72855	0.7
207.10182	3.4
212.05623	1.1
213.04025	4.4
227.10847	1.3
230.06599	3.5
231.05019	21.3
231.10193	2.8
248.07669	7.2
249.06152	2.7
255.10141	1.8
260.44977	0.8
266.08704	1.3
273.11264	2.9
285.43192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
57.03440	24.4
57.07076	13.3
59.04989	1.9
61.02923	6.1
63.04492	22.5
64.47390	1.2
69.03432	36.0
70.06574	1.2
71.01350	3.1
73.02917	46.3
77.18037	1.0
81.03449	2.4
85.02911	43.2
87.04468	14.0
88.80915	1.1
91.03938	1.5
95.04990	1.1
97.02897	46.3
99.04469	1.3
109.02892	3.5
115.03936	43.9
119.10696	100.0
127.03894	10.3
129.88708	1.1
133.04964	26.4
137.09639	1.2
145.04939	10.2
147.04436	2.3
150.07646	2.9
163.06053	4.6
223.06084	2.6
241.07144	3.5
251.14928	2.1
259.08154	3.8
281.15842	5.8
295.10239	2.7
329.25931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1551
Annotation	Shermilamine C
Peak:m/z	Relative Intensity
53.03941	0.6
56.05037	0.5
60.00378	0.4
61.55879	0.4
61.64711	0.5
65.03941	0.7
67.55431	0.5
69.03428	1.6
70.06580	0.7
70.27393	1.4
71.04995	0.5
72.08140	1.3
79.05483	0.8
81.03433	2.7
81.07059	0.9
84.08146	0.8
85.02892	2.0
86.09695	1.5
91.05489	7.1
97.02905	0.6
105.07018	0.6
107.04963	1.6
109.02863	0.8
119.04950	19.6
119.05804	1.0
127.03915	1.6
135.04459	0.5
137.06033	0.9
147.04417	100.0
148.04726	0.9
163.03954	3.9
165.05490	4.6
236.77000	0.5
251.12921	0.6
284.05630	0.5
291.08585	2.4
309.09695	4.6
345.08264	0.5
395.23846	0.6
431.22803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
54.54603	1.2
55.01870	3.6
55.05499	2.0
55.17022	1.1
57.03452	1.9
59.24492	1.2
67.05502	9.5
69.03440	8.1
70.94740	1.4
71.04978	1.3
71.52026	1.7
72.46494	1.2
73.02905	3.3
79.05481	5.4
81.03414	9.3
81.07053	5.9
83.18046	1.4
85.02903	17.8
87.00816	7.0
89.07077	1.3
91.05479	8.6
93.07055	13.8
95.04955	6.3
95.08611	74.2
97.02900	11.2
99.04410	3.1
105.01852	4.1
105.07018	1.9
107.04973	1.8
107.08614	2.5
109.02882	8.2
109.06513	5.9
109.10159	3.8
111.08086	8.5
115.98526	1.3
117.07041	1.8
119.08596	15.1
121.06510	1.6
127.03940	13.7
135.08054	2.9
136.07570	1.4
137.09625	22.7
145.04935	6.0
147.08099	6.4
153.09076	5.1
159.02884	4.7
160.00153	1.5
165.09120	36.6
183.10172	100.0
431.18393	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	432.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.8
69.07092	0.5
70.06614	0.6
71.51812	0.9
72.08143	0.9
85.02914	1.1
85.06528	0.5
86.09713	2.4
89.30077	0.5
91.05489	7.5
93.07012	0.7
95.08589	1.1
107.04958	1.1
107.08578	2.3
109.06503	0.5
110.91600	0.5
113.30739	0.5
119.04958	17.8
119.05805	1.1
119.08604	0.9
121.06522	0.5
121.10145	1.1
133.10147	0.5
137.05939	0.6
137.09627	1.1
147.04422	100.0
147.11682	1.1
148.04747	0.6
149.09662	1.3
149.13315	0.8
159.11755	0.7
161.13278	1.0
164.07080	0.7
167.10709	1.8
177.12825	1.4
189.09059	0.6
189.12799	3.3
207.13844	3.9
225.14873	6.6
235.09695	0.9
239.09224	1.8
248.18309	0.5
253.10808	0.7
289.15466	0.5
323.07532	2.5
432.21622	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04534	9.7
60.05639	1.6
61.04053	0.5
69.03430	0.5
76.09516	0.4
79.05510	1.5
81.07047	0.7
91.05477	1.7
94.04188	1.7
95.08614	0.7
98.21534	1.2
105.03426	0.4
107.04933	0.5
115.05443	0.5
117.07050	1.1
119.04984	0.6
121.06516	4.1
122.03641	4.8
131.04976	0.7
136.05183	0.8
137.05992	100.0
145.06516	1.5
146.07281	2.8
147.04369	0.4
147.08067	0.6
149.06015	5.2
151.07555	12.0
159.08026	0.4
161.06050	0.5
162.06818	1.0
163.07594	0.5
165.05496	2.3
165.09114	0.7
174.06778	0.6
175.07553	1.0
177.05489	2.4
177.09117	10.4
179.07060	1.3
187.07587	0.8
189.09116	1.5
191.10712	0.7
201.09157	1.5
203.10657	0.5
205.08691	0.5
215.00133	1.3
219.10231	1.5
231.08081	0.5
235.09412	0.6
235.11453	0.8
237.11212	5.8
245.09695	1.1
253.17316	0.4
261.09299	0.5
262.09973	0.6
263.10678	1.4
273.09238	0.7
274.09933	1.2
275.10678	0.6
277.12283	1.3
284.10452	0.6
290.09531	1.5
290.13083	0.4
291.10187	1.3
295.13333	3.2
305.11731	13.1
306.12454	0.6
323.12817	7.6
337.14337	7.1
341.30392	0.5
355.15408	17.7
373.16489	9.8
432.08670	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	432.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48869	0.5
56.72160	0.6
60.04273	0.7
60.04533	10.1
60.05646	0.7
85.19120	0.6
85.68087	0.6
91.05492	1.6
92.26517	0.6
94.04176	1.5
103.05494	0.6
107.05009	1.0
108.05697	0.6
121.06519	4.3
122.03654	4.4
131.04936	0.9
136.05238	0.8
137.05991	100.0
145.06506	1.2
146.07326	3.0
147.04497	0.7
147.08031	1.0
149.06007	5.3
151.07564	15.7
162.06804	1.0
165.05516	2.0
177.05548	2.5
177.09116	9.3
189.09143	1.9
197.88283	0.6
201.09167	0.9
219.10049	1.2
231.08124	0.8
234.18567	0.7
237.11244	5.3
245.09579	1.5
247.07628	0.7
262.09933	0.9
263.10727	1.1
273.09354	0.8
274.09995	1.6
277.12268	0.8
290.09433	1.1
291.10187	1.0
295.13284	2.3
305.11752	13.2
306.12436	1.0
312.71063	0.7
323.12836	5.7
337.14352	6.1
355.15439	19.9
373.16461	8.7
374.55798	0.7
432.08878	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96209	0.9
58.24558	0.9
59.99846	1.0
60.04525	8.4
60.42699	0.8
66.41270	0.9
69.65834	1.9
69.66241	3.8
81.07052	1.0
91.05466	1.4
93.07042	1.1
94.04183	1.8
98.66454	0.9
105.35136	0.9
107.04929	0.8
109.94703	1.0
121.06510	3.0
122.03678	5.2
129.32930	1.0
131.04904	1.9
137.05978	100.0
138.06259	1.0
145.06433	1.7
146.07285	3.0
147.08121	1.1
149.05978	5.6
151.07542	10.6
159.08110	1.0
165.05496	1.8
171.50278	1.0
177.05481	3.3
177.09074	8.0
219.10086	1.5
237.11200	5.6
248.45055	1.0
262.09995	1.3
270.67526	0.9
274.09766	1.4
277.12280	1.8
291.10172	1.3
295.13348	2.9
305.11703	12.0
323.12668	6.0
337.14398	5.4
355.15417	17.7
373.16479	7.7
432.16327	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58355	0.7
54.70343	0.5
55.01873	1.0
56.96558	2.1
57.03432	2.4
61.02913	2.0
67.05510	0.8
69.03430	3.3
69.03731	0.5
70.06599	1.1
70.37888	0.6
71.51860	0.7
72.08163	3.0
73.02917	2.4
73.06563	1.3
79.05475	2.3
79.60543	0.6
81.03413	1.1
84.04465	0.7
84.08147	1.4
84.96051	0.6
85.02903	8.3
86.09697	2.2
87.04453	1.4
88.02214	2.2
88.79801	0.5
91.05490	1.3
93.07049	1.6
95.04976	0.8
95.08617	0.8
97.02898	3.1
98.97591	4.9
99.04412	0.6
103.05472	6.3
105.06975	0.7
107.04966	2.8
107.08568	0.7
110.97585	1.7
112.14230	0.6
115.03934	0.8
116.98647	1.7
120.08105	100.0
121.06538	1.0
121.08440	0.8
123.79859	0.6
126.68658	0.6
127.03896	1.7
128.98628	1.1
131.04916	3.6
134.02687	2.4
135.04419	1.5
136.04710	0.7
136.06268	0.7
137.06000	3.7
138.09138	1.9
145.02847	2.4
145.04965	1.0
147.04462	1.7
149.05989	3.2
151.03857	1.0
151.07520	0.8
158.99654	3.1
163.03870	5.6
163.07529	1.1
164.04219	1.0
165.05511	0.8
166.08641	54.7
167.08931	0.9
175.07567	1.1
177.00742	1.5
177.05423	2.2
178.43127	0.6
188.88414	0.7
191.06938	1.4
201.00615	0.7
217.03383	1.0
219.01781	2.5
224.12831	1.4
237.02809	1.2
240.06554	0.8
249.07036	0.9
254.09315	1.0
254.59364	1.5
255.07147	4.3
259.06534	2.0
261.07941	1.2
264.07535	3.5
270.10919	0.8
270.13434	2.4
281.10181	8.8
285.02789	0.9
299.11371	0.9
335.07825	0.8
336.09689	8.7
336.59924	1.7
403.13818	0.9
432.16321	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	432.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79303	2.2
67.05496	6.8
70.06573	2.1
71.51609	4.2
72.08139	3.4
74.84077	2.4
79.05501	4.4
81.03458	3.1
81.07042	4.8
84.08138	2.1
85.02888	4.0
85.06544	6.7
86.09701	3.7
88.80349	2.2
89.06033	4.4
91.05503	3.9
93.07041	5.6
95.08067	3.5
95.08616	46.2
105.07034	7.0
107.08608	5.6
113.06023	8.1
119.04919	3.5
119.08567	8.7
121.10147	4.8
123.08092	20.1
133.08585	3.2
133.10117	2.7
135.11717	11.0
137.09628	3.9
147.04414	19.9
147.11737	5.3
149.09641	21.3
157.77811	2.5
161.13283	8.2
163.11191	4.7
165.12755	7.2
167.07016	5.1
176.73209	2.2
179.14378	2.6
189.12775	13.6
207.13817	100.0
225.14867	7.3
235.09618	2.9
343.73041	2.5
379.13507	2.1
432.21542	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	432.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39030	10.6
52.41514	10.1
58.21061	10.0
67.05505	17.5
71.51873	13.6
79.05510	17.2
81.07080	18.9
89.20313	14.0
93.07064	13.5
95.08637	19.5
107.08600	20.8
121.07267	10.7
122.92812	11.4
131.46132	10.6
133.10149	11.4
137.05986	100.0
149.05913	13.5
151.07524	20.5
156.56104	11.1
161.32695	11.5
209.93053	12.2
269.17490	58.5
305.11807	15.6
351.24969	15.8
355.15332	16.7
396.31113	10.6
432.32965	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	433.1131
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03933	0.6
55.01860	0.5
55.63202	0.3
57.03440	3.5
60.52367	0.3
65.03934	0.4
67.05499	0.7
68.99780	0.7
69.03427	0.5
69.07059	0.4
69.59850	1.7
69.60260	0.9
71.04998	16.7
75.04482	2.3
75.45584	0.3
79.05468	0.7
81.03415	0.6
81.07047	1.3
85.02909	16.8
85.06544	1.1
91.05437	0.7
93.07042	1.4
95.08607	0.8
97.02881	0.5
98.20767	0.8
105.01779	0.4
105.03349	0.5
105.07049	1.0
107.04948	0.6
107.08601	0.9
109.02871	0.5
109.10143	0.7
111.00808	0.6
111.04404	0.5
113.07171	0.4
115.07634	0.4
119.08605	0.6
120.54302	0.3
121.02850	2.7
121.06475	0.4
121.10157	0.9
123.11640	0.5
127.03914	0.7
129.05469	3.3
129.07031	0.6
133.06497	0.4
135.11722	0.4
137.02336	0.6
137.05977	0.7
145.10135	0.5
147.04411	0.6
147.11659	0.4
149.13243	0.6
153.01842	2.6
163.07590	0.5
165.01828	1.5
167.07097	0.7
167.10658	0.4
167.14328	0.6
181.04988	1.0
183.02887	0.7
185.06050	0.4
185.15326	0.6
197.61172	0.4
206.46162	0.4
213.05260	0.8
217.19550	0.4
231.06622	0.9
231.50354	0.4
241.04961	0.7
258.05206	0.8
287.05508	100.0
288.05820	1.3
403.13751	0.7
435.42554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01860	0.5
55.63202	0.3
57.03440	3.5
60.52367	0.3
65.03934	0.4
67.05499	0.7
68.99780	0.7
69.03427	0.5
69.07059	0.4
69.59850	1.7
69.60260	0.9
71.04998	16.7
75.04482	2.3
75.45584	0.3
79.05468	0.7
81.03415	0.6
81.07047	1.3
85.02909	16.8
85.06544	1.1
91.05437	0.7
93.07042	1.4
95.08607	0.8
97.02881	0.5
98.20767	0.8
105.01779	0.4
105.03349	0.5
105.07049	1.0
107.04948	0.6
107.08601	0.9
109.02871	0.5
109.10143	0.7
111.00808	0.6
111.04404	0.5
113.07171	0.4
115.07634	0.4
119.08605	0.6
120.54302	0.3
121.02850	2.7
121.06475	0.4
121.10157	0.9
123.11640	0.5
127.03914	0.7
129.05469	3.3
129.07031	0.6
133.06497	0.4
135.11722	0.4
137.02336	0.6
137.05977	0.7
145.10135	0.5
147.04411	0.6
147.11659	0.4
149.13243	0.6
153.01842	2.6
163.07590	0.5
165.01828	1.5
167.07097	0.7
167.10658	0.4
167.14328	0.6
181.04988	1.0
183.02887	0.7
185.06050	0.4
185.15326	0.6
197.61172	0.4
206.46162	0.4
213.05260	0.8
217.19550	0.4
231.06622	0.9
231.50354	0.4
241.04961	0.7
258.05206	0.8
287.05508	100.0
288.05820	1.3
403.13751	0.7
435.42554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1349
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
52.68497	0.2
53.03939	0.9
55.01870	0.4
57.03440	0.2
62.68024	0.2
65.03936	0.5
69.03435	2.0
70.76767	0.3
70.77106	0.4
71.04991	0.6
72.04498	0.2
73.02932	0.5
78.03796	0.8
79.05501	0.4
81.03422	2.7
83.05005	0.3
85.02911	5.6
86.06076	0.3
86.09688	0.3
95.04969	0.4
97.02901	3.5
97.06558	0.3
99.04464	3.4
102.03788	0.8
103.03961	4.4
105.07012	0.6
107.04967	1.1
109.02892	2.7
109.06511	0.6
120.04775	0.2
122.67577	0.2
123.04458	0.2
125.05984	0.3
127.03927	100.0
128.04292	0.4
131.06395	0.5
132.04834	0.3
133.06482	0.2
133.65356	0.2
136.76442	0.2
137.06003	0.6
142.02574	0.3
145.04968	3.9
145.18800	0.2
147.05849	0.3
149.07455	3.1
153.05437	0.3
155.07037	0.6
161.06010	0.6
163.06003	0.3
167.07086	1.2
168.06726	0.2
181.04971	5.4
181.06544	0.4
187.06032	0.8
188.52444	0.2
193.04807	0.2
193.08614	0.6
221.08060	1.7
249.07629	0.8
271.08234	0.5
289.09036	0.2
303.13745	4.7
318.81128	0.2
392.80225	0.3
403.13971	4.1
415.18881	1.0
433.15018	0.6
438.00577	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1496
Annotation	1178-24-1
Peak:m/z	Relative Intensity
67.05434	0.9
68.66714	0.4
69.07018	1.0
70.39796	0.4
71.03452	0.9
79.05415	1.2
79.47621	0.4
80.22799	0.5
81.06969	1.7
83.08537	0.6
91.05405	0.8
93.06967	0.9
95.08525	1.4
97.06445	0.5
105.06955	1.0
107.08495	1.2
109.06468	0.8
109.10116	0.6
119.04781	0.6
119.08546	1.2
121.06370	0.6
121.10106	0.5
127.03883	0.7
133.10039	0.6
137.05968	2.9
145.10054	0.5
149.05972	0.5
151.07436	0.9
153.05408	0.5
159.11555	0.5
163.14833	0.5
165.05486	5.8
171.11630	0.6
177.05392	0.5
178.06252	0.7
183.02817	2.7
211.02245	1.7
233.08057	0.6
237.02875	0.5
243.06587	0.6
246.05402	0.5
271.05865	0.5
279.03778	1.0
283.06009	0.7
288.06219	0.4
289.07220	2.7
299.05472	1.6
301.06772	0.5
302.04770	0.5
307.23398	0.5
311.05444	2.0
313.03387	0.5
313.06967	0.9
314.07690	1.0
315.04895	0.6
317.06586	3.9
321.04819	0.6
325.07043	1.0
327.04993	2.9
329.06601	1.1
329.10095	0.6
330.03671	0.5
331.08160	1.1
332.08795	0.5
339.04935	2.9
339.08484	0.8
341.02750	1.6
341.06674	1.2
342.07391	1.6
343.08090	1.0
345.06064	9.3
354.07373	1.2
355.04404	1.5
357.05939	1.7
357.09756	2.1
358.06738	0.7
359.07599	1.4
360.08453	3.6
369.05743	0.6
370.06662	0.9
371.07480	0.6
373.05530	4.4
375.10837	2.2
385.09204	7.8
387.07031	3.6
387.11310	0.8
388.07834	3.4
399.11072	0.9
400.11627	0.7
403.10251	67.8
404.10541	1.6
415.32443	0.6
417.11862	4.0
418.12543	8.4
433.14966	100.0
434.15216	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	433.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87823	0.3
55.01862	1.1
61.02913	0.3
69.03429	0.7
71.00003	0.7
73.02911	1.5
79.05441	0.3
81.03418	0.6
81.07086	0.3
85.02913	0.7
91.05487	0.6
95.04942	0.4
97.02896	1.1
103.42468	0.3
105.07030	0.8
107.04958	2.2
109.02872	0.8
109.06532	0.7
110.03656	0.4
111.04453	1.3
118.46223	0.3
119.04940	0.6
119.08635	0.4
121.02869	1.0
121.06515	1.9
123.04476	1.5
123.08056	0.3
127.03924	0.5
128.06230	0.3
129.07013	0.9
131.04900	0.6
131.08507	0.3
133.06465	0.5
135.04404	0.7
137.02357	3.9
137.06000	2.2
139.03931	1.5
145.06483	0.8
147.04424	0.9
147.08043	0.5
149.02370	4.4
149.05984	0.7
151.03851	0.5
155.08574	0.5
157.06541	0.9
159.08037	0.7
161.05981	1.2
163.03941	1.6
165.01871	0.4
165.05505	1.5
165.06877	0.5
167.08534	0.4
171.08049	0.4
173.06004	0.6
175.03922	1.2
175.07571	1.2
177.05486	1.0
178.07907	0.4
179.07060	0.3
181.05011	0.7
185.05981	0.4
187.07626	0.4
189.05496	1.9
193.05011	0.5
199.07571	0.5
201.05482	1.0
201.09085	0.5
203.03429	0.9
203.07028	1.4
207.06468	0.7
211.07578	0.6
213.05589	0.4
215.06996	0.5
217.04959	1.4
217.08517	0.5
219.06520	0.9
221.08041	0.4
227.07068	0.5
229.05093	0.6
229.08704	0.4
231.06592	1.0
239.10695	0.5
241.08730	0.8
243.10069	0.5
247.06050	0.7
249.09271	0.6
251.10899	0.4
252.07890	0.4
266.09314	0.3
267.10297	1.0
271.09637	0.4
285.11398	0.6
295.09637	1.2
297.11203	0.5
313.10614	1.5
319.09808	0.5
321.11130	0.6
331.12061	0.4
337.10977	0.4
339.12613	0.5
355.11838	1.4
357.13327	0.4
367.11801	0.8
373.12833	17.5
385.12866	3.1
387.14368	0.6
397.12906	0.6
403.13895	100.0
404.14139	2.4
415.13980	2.1
433.16431	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00942	0.5
53.03954	0.8
55.01879	2.0
57.03424	0.9
61.01147	4.3
62.97795	0.6
64.33562	0.6
67.05517	1.0
69.03437	5.9
69.69478	1.7
69.69891	1.9
71.04996	1.0
72.04508	2.1
73.02900	1.2
76.50912	0.6
78.03796	5.5
79.05492	2.3
81.03415	3.9
81.07069	3.2
83.04980	2.3
85.02914	10.5
86.06061	3.1
91.05501	2.2
93.07039	0.9
95.04973	2.2
97.02898	4.9
98.06103	0.8
99.04472	3.9
102.03784	7.4
103.02201	0.7
103.03944	5.3
105.07053	3.5
107.04964	53.5
109.02892	2.9
109.06528	7.2
113.06001	1.7
115.08578	0.7
119.04940	3.5
120.04829	2.7
121.06516	1.5
123.04456	0.6
124.07591	0.8
127.03927	100.0
128.04291	0.8
129.07024	0.8
131.04945	1.7
131.06357	5.8
132.04791	3.8
133.06505	3.8
137.05980	13.7
142.08638	0.8
145.04976	4.3
146.63742	0.6
147.04433	4.3
147.05872	2.3
147.08133	0.9
149.06068	3.6
149.07448	31.4
151.02026	0.8
151.07524	1.6
153.05431	0.8
155.07034	3.3
157.06439	0.9
161.05989	10.7
165.05487	32.8
173.06036	2.2
175.07588	2.4
177.05443	1.8
179.06996	1.6
181.05032	1.6
184.09773	1.1
185.06030	0.8
187.07550	0.6
189.05508	1.7
191.07030	1.0
195.06570	1.7
199.07564	1.2
201.05605	1.1
203.07074	5.8
215.07303	1.2
217.08664	0.7
219.06563	3.9
221.08127	2.5
227.07004	1.5
237.07616	8.0
245.08112	5.8
261.12692	1.5
263.09204	3.5
264.90439	0.6
303.13736	37.8
324.74573	0.6
341.47440	0.6
403.13995	2.1
415.14011	1.3
415.18961	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	433.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
53.46968	1.2
55.01877	3.4
57.03430	1.6
60.44128	1.2
62.80589	1.1
65.03943	1.2
65.65173	1.1
67.05507	1.6
67.78868	1.1
69.03436	8.4
69.52287	1.1
70.06593	2.3
71.40610	1.9
72.08177	1.4
73.02913	4.2
79.05488	4.6
81.03423	2.8
81.07069	8.9
83.73364	1.2
84.08175	1.6
85.02910	17.0
91.05499	8.0
91.06015	1.3
93.07039	2.5
95.08626	1.9
97.02901	3.4
103.03981	2.8
105.07053	8.0
107.04958	100.0
107.08611	3.1
109.02875	2.8
109.06525	4.5
110.81107	1.1
111.04458	1.6
115.03943	1.8
116.07085	1.4
119.04941	9.1
120.05256	1.9
121.06429	1.7
121.10160	2.2
123.11739	1.2
127.03920	6.3
129.06990	1.4
131.04944	4.2
133.04982	2.0
133.06490	7.6
135.04430	1.6
135.08044	1.9
137.05991	11.7
145.04974	3.0
145.06467	2.7
147.04420	33.5
148.04735	13.1
149.05974	4.4
151.07564	3.2
157.06490	2.1
161.05994	18.5
163.03867	1.8
165.05478	68.2
167.07100	3.3
167.10710	1.2
173.05997	4.5
175.07504	3.3
177.05441	2.7
179.07037	2.7
181.04996	9.9
181.06441	2.4
183.04768	1.2
185.06044	1.2
189.05463	3.7
189.09097	1.3
191.07062	2.1
195.06517	2.4
199.07550	2.6
201.05479	2.4
203.06992	10.5
205.08665	1.7
217.08575	2.0
219.06506	7.3
221.08061	5.4
227.06976	3.4
236.22748	1.3
237.07535	15.6
245.08145	11.3
249.07581	1.8
253.15808	1.3
263.09119	7.6
356.89044	1.3
403.13895	8.8
415.13727	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10174	0.9
53.03949	2.9
55.01881	2.6
55.05504	2.5
57.03436	3.6
65.03938	1.4
67.05506	6.4
69.03429	5.7
69.07062	2.8
69.88533	5.0
71.04990	1.9
73.02895	1.7
73.61193	1.0
75.86523	1.0
79.05502	18.1
81.03435	7.7
81.06592	2.4
81.07063	43.5
83.04983	1.2
85.02906	13.8
86.09739	2.1
87.00835	5.8
91.05489	16.2
93.07053	16.5
95.04945	1.3
95.08623	7.8
97.02898	7.4
97.06528	3.3
99.04472	1.5
105.01864	3.2
105.03358	1.4
105.07031	5.2
107.04954	2.1
107.08591	10.4
109.02911	7.1
109.10159	6.7
111.04494	1.1
117.01900	1.0
119.04951	24.6
119.08587	1.8
121.06503	1.7
121.10152	19.7
123.11710	12.4
125.05986	6.5
127.03938	12.9
129.07063	2.3
131.08585	1.4
133.06554	1.2
133.10139	1.2
135.08067	4.1
137.09604	1.7
139.11211	9.3
142.60016	1.2
143.08534	1.4
145.04973	2.6
145.06468	1.3
147.04427	100.0
149.09639	2.0
153.09120	2.3
157.06516	1.3
159.02937	1.4
167.07002	2.0
167.10693	26.5
167.14397	1.3
181.04959	3.4
185.11748	98.9
213.03879	1.4
231.04916	2.0
251.12732	1.1
271.05966	1.7
287.05481	1.1
403.13135	1.2
433.18567	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93020	0.4
53.03938	1.5
55.01863	2.0
56.73453	0.4
57.03431	0.5
57.07090	0.6
61.01149	1.8
61.02919	0.5
63.65849	0.5
63.99044	0.4
67.05497	0.9
69.03418	3.5
71.04994	1.0
71.05762	0.7
71.06099	4.0
71.51532	0.8
72.04511	2.2
72.08144	1.1
73.02914	1.2
74.90507	0.5
77.00626	3.8
78.03789	3.6
78.20972	0.4
79.05491	1.3
81.03407	2.7
81.07053	2.7
83.04995	1.1
85.02901	7.8
85.06551	0.6
86.05589	0.7
86.06069	7.9
86.09688	1.5
87.56573	0.5
91.05491	2.7
93.07046	1.1
95.04971	0.8
95.13927	0.5
97.02894	3.6
98.06065	2.3
99.04472	3.6
102.03783	4.4
103.03937	4.3
105.07024	0.7
107.04951	6.2
109.02883	2.6
109.06522	3.0
111.04441	1.0
113.05973	0.6
115.08685	1.8
118.03234	6.1
119.04954	1.9
120.04790	0.9
121.06500	1.6
123.04435	0.5
124.07580	0.9
127.03918	100.0
130.03249	1.6
131.06383	3.4
132.04784	2.2
133.06493	0.8
135.04417	0.8
137.05969	10.2
139.02133	0.6
142.08636	2.0
143.08501	0.5
145.04956	3.2
147.04544	1.1
147.05865	16.9
149.02357	0.5
149.06180	1.0
149.07434	24.9
151.02121	5.5
155.07008	0.6
161.06009	0.9
163.03891	1.1
163.06058	0.6
165.05536	3.1
169.03056	0.6
171.17233	0.4
175.07603	0.7
179.05270	1.9
179.06903	0.6
179.08627	0.7
181.04942	1.6
184.09709	0.5
185.02719	0.5
187.06090	0.7
189.05330	0.5
193.05009	0.8
197.06319	1.9
203.07060	1.0
211.07663	1.2
213.12454	0.6
215.07452	0.6
217.10406	0.5
225.09125	1.7
229.08571	0.7
241.08565	0.7
243.10219	1.7
258.25125	0.6
261.12674	1.4
273.24466	0.6
285.12729	0.5
303.13718	34.0
313.10721	2.1
373.12845	2.0
385.12970	0.7
388.50043	0.5
389.14169	0.8
397.12808	0.5
403.13843	11.2
415.13895	1.4
415.18906	10.0
433.13751	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	433.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.8
53.03954	3.6
54.36499	1.7
55.01872	12.5
55.05275	3.2
55.05519	41.2
57.03447	11.2
61.02918	3.0
65.03934	3.1
67.05511	50.1
68.99778	4.6
69.03442	56.4
69.07076	17.8
71.04986	3.6
71.52014	2.2
73.02916	2.3
77.03920	2.0
78.48110	1.8
79.05505	55.5
81.03429	23.9
81.06595	3.7
81.07066	63.7
83.04987	13.8
83.08624	18.3
85.02916	14.3
85.06539	5.5
87.00837	8.7
91.05495	46.5
93.03397	2.2
93.07055	65.5
95.04986	35.6
95.08618	50.8
95.37682	2.1
97.02898	7.2
97.06530	7.8
97.10181	23.0
99.04460	4.5
103.05512	4.0
105.01905	3.1
105.03349	2.4
105.07041	65.7
107.04953	13.7
107.07881	2.7
107.08609	49.9
109.02879	8.6
109.06555	11.5
109.10181	28.3
111.04470	9.7
111.08086	5.2
115.03951	4.1
115.05460	7.2
116.06208	1.8
117.01914	1.8
117.07030	23.0
119.04973	3.2
119.08604	51.9
121.06524	16.3
121.10155	32.0
121.10954	3.5
123.04430	2.5
123.08071	7.7
123.11737	5.1
125.06028	2.6
125.09634	14.3
127.03933	15.7
128.06230	9.4
129.05501	4.6
129.07010	24.6
130.07787	2.5
131.04973	14.8
131.08578	45.7
133.06508	10.3
133.10143	28.2
135.04431	3.9
135.08061	17.7
135.11717	7.3
137.05948	7.6
137.09627	3.4
141.06992	10.7
142.07785	6.2
143.08591	28.0
144.09328	4.5
145.04916	2.3
145.05325	2.0
145.06508	24.9
145.10139	58.5
147.04562	1.8
147.08054	13.8
147.11696	33.3
149.05946	2.2
149.09641	25.4
149.13274	6.7
150.13628	2.6
151.07544	4.4
153.05428	2.9
153.09091	2.8
154.07802	5.1
155.08556	18.1
156.09354	3.8
157.06602	3.3
157.10155	27.2
159.08080	9.7
159.11719	41.3
161.05980	3.2
161.09683	9.1
161.13263	15.5
163.07565	3.8
163.11189	7.0
163.14861	3.2
165.07030	3.9
167.08623	9.2
168.09341	4.7
169.06546	3.5
169.10136	23.7
171.08086	5.5
171.10277	3.7
171.11681	29.5
173.09694	13.3
173.13275	18.5
175.11203	7.1
175.14859	9.8
177.09122	2.0
177.12772	2.9
179.08548	3.3
180.09383	2.2
181.10146	8.6
182.10933	2.5
183.08110	3.2
183.11708	18.6
184.12410	1.9
185.09631	6.3
185.13252	13.3
187.11195	13.5
187.14847	12.4
189.09149	3.8
189.11209	9.3
189.12775	16.5
189.16371	2.6
193.10199	5.4
193.12172	3.6
194.10912	3.0
195.11842	9.0
197.09639	4.6
197.13309	10.9
199.11200	8.1
199.14772	11.5
201.12746	5.4
201.16405	73.8
203.10785	2.9
203.14319	3.2
203.17969	35.6
205.12306	6.5
207.11664	3.3
209.09677	3.1
209.13264	7.3
211.11246	9.9
211.14845	7.2
212.11882	3.1
213.12738	5.8
213.16394	19.4
215.10643	4.0
215.14430	4.1
215.17969	14.2
217.12231	2.3
217.15897	4.4
219.17447	3.5
221.13461	2.7
223.14990	2.6
225.12747	6.9
225.16359	12.1
227.12572	3.4
227.14558	3.2
227.17996	8.1
229.12251	6.7
229.15944	8.9
231.13860	2.6
231.17488	13.7
233.13409	2.6
235.14827	3.8
237.12787	3.4
237.16399	3.2
239.14351	4.2
239.17972	5.1
243.13876	4.7
243.17465	16.3
247.13304	2.1
247.16983	10.9
249.14543	2.5
251.18050	3.0
253.15932	3.8
255.17480	2.6
257.15265	3.9
257.19208	3.9
261.14960	2.0
261.18533	8.4
265.19641	4.0
267.16049	2.7
269.19150	2.8
271.16745	3.4
273.14761	2.3
275.17975	2.6
281.19238	2.4
283.20651	4.2
293.18958	11.4
295.20471	3.1
305.19055	3.1
311.20065	27.3
311.88498	2.2
313.18106	2.2
313.21710	6.5
323.20132	28.2
329.21146	44.2
335.18326	2.5
341.21176	100.0
359.22061	10.2
371.21774	2.3
389.23285	7.5
397.19577	2.3
397.24075	4.5
397.31476	2.8
415.21017	37.1
415.24963	31.5
433.26596	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07285	3.1
50.46486	2.9
51.21352	2.6
53.03949	4.8
55.05516	36.1
56.82790	3.3
57.07078	6.0
59.05008	67.5
62.06075	4.2
64.88755	2.7
67.05496	16.7
69.03432	5.5
69.07066	10.7
71.05016	4.7
71.53259	5.2
75.04482	3.6
79.05493	19.7
81.07050	23.0
83.08623	3.3
85.06550	100.0
91.05486	43.6
93.07051	34.2
95.04971	10.0
95.08610	30.3
97.63402	3.2
99.08127	3.6
105.07036	42.1
107.08607	22.4
109.06514	9.5
109.10146	26.5
111.08102	11.0
113.00002	3.7
115.05437	5.4
117.07034	19.4
119.08590	66.8
121.06495	4.7
121.10160	30.4
123.08033	9.5
125.09627	27.6
128.06219	7.8
129.07007	10.6
131.08580	31.2
133.10133	26.3
135.08063	9.3
135.11711	8.7
137.09613	29.2
141.07071	5.1
142.07762	10.3
143.08589	19.8
144.09398	4.1
145.10112	37.0
147.08076	7.5
147.11707	9.3
149.09653	10.5
151.11205	35.6
153.05487	7.7
155.08595	11.3
156.09369	6.9
157.10138	22.5
158.11000	3.0
159.11705	13.9
159.34229	3.1
161.09622	3.8
163.11217	8.9
165.06992	4.1
168.09395	5.4
169.10118	11.9
170.10936	4.1
171.11722	15.9
173.13281	7.8
175.11157	3.8
175.14790	4.5
179.08604	5.3
180.09317	4.8
181.10150	5.9
182.10852	2.9
183.11678	18.2
185.13293	9.7
187.11243	3.6
187.14778	3.1
189.12747	6.1
191.14217	3.2
193.10228	6.3
194.10954	4.9
195.11760	14.5
196.12619	4.1
197.13310	8.2
199.14856	3.7
201.12781	3.8
203.14349	8.8
207.11798	7.0
208.12556	3.9
209.13229	14.2
211.14885	9.4
215.14284	6.2
219.11774	4.1
221.13246	7.3
223.14917	8.8
225.16255	3.8
230.24718	20.1
235.14824	5.5
253.15907	4.1
263.17801	4.2
265.19507	3.9
275.20013	5.8
323.24091	3.3
341.24582	4.8
354.25659	3.5
415.28323	4.5
433.23898	15.2
433.30902	13.6
433.38040	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	434.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.05506	0.9
57.03435	0.6
58.13741	0.4
61.02932	0.5
67.05517	2.1
69.03425	1.4
69.07063	1.5
71.05000	3.9
71.12402	0.8
79.05501	2.4
81.03416	0.8
81.06598	0.7
81.07065	12.9
84.04474	0.4
85.02914	3.3
87.00843	1.0
91.05484	3.5
93.07052	19.1
95.04984	11.4
95.08595	1.8
97.02890	1.1
97.06511	0.5
105.01878	0.7
105.07041	5.6
107.04916	0.6
107.08606	3.3
109.02912	0.8
109.06519	5.6
109.10146	2.8
119.08617	0.8
121.10162	0.9
123.08083	1.9
123.11719	4.6
125.09595	0.4
127.03947	1.4
131.08537	0.6
133.10146	7.6
145.04932	1.3
145.10146	0.6
151.11200	100.0
152.11566	1.0
159.02916	0.8
159.11664	0.7
163.03896	0.5
167.07085	1.5
168.13925	0.7
169.12241	1.0
181.04994	2.8
181.06480	0.4
181.06981	0.3
205.08788	0.4
219.17531	0.7
233.08125	1.3
263.09290	0.5
274.79828	0.4
399.15942	0.5
417.15793	0.7
438.65982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54412	3.8
53.03938	3.9
57.03435	6.3
60.76656	3.7
61.02933	5.1
67.05495	8.7
69.03439	26.5
69.55106	22.0
71.04984	10.8
71.98249	3.5
79.05498	7.8
81.03416	15.3
81.07063	65.1
85.02908	64.3
87.00843	32.8
91.05485	17.5
93.07060	100.0
95.04978	12.3
95.08624	7.3
97.02895	16.9
99.04497	5.2
105.01874	50.1
105.07058	12.3
107.08613	17.5
109.02901	22.3
109.06546	3.5
109.10175	8.5
118.79280	3.4
119.28399	3.7
121.10159	9.9
123.08076	6.4
123.11738	30.4
127.03923	39.4
128.53749	3.2
133.10155	18.2
137.05951	4.8
145.04985	13.7
151.11169	33.4
167.10648	6.2
168.11142	4.2
169.12218	7.3
181.05034	4.5
188.80789	3.7
195.27534	3.8
195.88609	5.0
213.04024	5.2
216.84015	3.8
231.05077	11.9
249.05986	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17620	0.7
50.84096	0.9
53.03936	1.7
55.01869	2.1
57.03154	1.7
57.03440	29.9
59.05003	1.1
59.65448	0.7
60.04554	0.8
61.02929	14.5
69.03430	37.3
69.53163	5.0
71.01348	2.5
71.04989	2.1
71.94242	0.7
72.04539	0.8
73.02920	66.2
81.03410	6.3
85.02908	100.0
87.04473	8.9
91.03967	4.9
93.85468	0.8
96.04493	0.8
97.02895	58.8
98.20726	0.8
99.04456	4.6
101.02385	0.9
103.03989	1.3
105.07040	12.4
107.04948	0.9
109.02896	8.6
115.03933	51.3
119.08570	1.1
126.05533	1.7
127.02969	1.8
127.03921	32.3
129.06976	0.8
132.06575	1.8
133.04968	22.9
144.06561	1.1
145.04965	55.0
147.08061	3.2
150.07614	8.1
163.06020	38.4
163.07391	2.0
167.07063	0.8
180.08749	1.2
181.04984	2.9
201.09137	3.6
209.15445	1.9
219.10239	2.8
223.05983	5.1
227.16373	0.8
231.10179	2.8
233.07918	1.0
241.07024	6.5
249.11295	1.9
259.08200	7.1
277.09192	1.0
285.13300	12.1
295.10263	7.7
302.16064	3.0
434.20496	1.9
452.21658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.5
57.03437	30.9
58.36133	2.6
61.02917	14.3
68.45745	2.4
69.03426	32.7
70.64776	7.8
71.01321	4.5
71.05000	3.0
73.02919	62.5
75.66008	2.4
79.05475	2.5
81.03415	8.2
85.02906	100.0
85.74030	2.5
87.04483	6.0
91.03928	4.9
93.07063	4.8
97.02898	59.6
99.04440	4.0
103.03907	2.5
105.07033	29.0
109.02868	11.6
111.04404	3.0
115.03931	42.1
117.19844	3.0
127.03918	37.4
133.04942	11.8
133.10114	3.1
145.04961	52.8
147.08058	4.8
150.07661	3.6
163.06020	35.4
164.07071	4.9
167.07031	3.2
181.04948	5.8
191.14261	4.3
201.09119	3.0
215.03795	2.4
219.10179	4.3
223.06027	6.1
233.08220	2.9
233.23259	3.3
241.07001	5.2
259.08231	5.2
278.28519	2.6
285.13290	10.4
295.10144	4.7
302.16086	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	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01855	0.4
55.05501	0.8
56.68519	0.5
57.03442	0.8
67.05505	2.9
69.03417	1.5
69.07060	1.7
71.04999	2.9
71.48049	0.5
71.48389	0.6
72.16694	0.6
72.41119	0.5
79.05486	2.4
81.03414	1.2
81.07060	12.9
85.02908	2.4
87.00859	0.8
91.05484	3.3
93.07050	20.4
95.04379	1.0
95.04973	11.8
95.08611	2.2
97.02911	0.8
97.06533	0.6
105.01878	1.5
105.07040	5.3
107.08591	3.2
109.02874	0.6
109.06541	4.4
109.10181	2.5
111.07973	0.5
121.10158	1.4
123.08082	1.3
123.11729	5.5
127.03931	1.6
131.08594	0.5
133.10121	8.3
145.04997	1.3
151.11191	100.0
152.11540	0.9
167.07138	0.6
168.13860	0.8
169.12248	1.4
181.04944	1.1
233.08101	0.7
312.88306	0.5
386.83273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01880	3.4
55.05506	2.1
55.58244	1.6
57.03438	9.7
57.80050	1.5
60.95779	1.6
61.01141	2.5
63.98014	1.7
69.03425	5.6
69.07072	1.8
70.39436	5.0
71.04971	2.0
72.04509	2.7
72.08154	10.1
73.02903	1.9
75.04478	5.4
78.03795	5.0
78.65323	1.8
81.03413	3.1
81.07066	2.0
83.04978	3.1
84.08168	2.9
85.02909	15.5
86.06065	4.0
86.09695	2.7
87.06384	1.8
88.47341	1.5
91.05473	6.1
97.02895	5.5
99.04440	2.7
102.03768	5.5
103.04008	3.1
103.05476	23.7
105.03395	2.2
105.07017	2.9
107.04968	9.5
108.05270	2.0
109.02888	2.7
109.06509	6.6
110.03716	3.4
118.06506	2.5
119.04945	11.4
120.08120	1.7
121.02886	1.6
121.06521	7.9
123.04445	13.5
127.02988	2.2
127.03921	43.1
128.04250	18.3
130.04204	1.8
131.04935	100.0
131.06413	3.8
132.04785	2.6
133.06535	3.1
135.08179	1.8
137.05984	26.5
138.06807	11.5
142.76724	1.5
145.04892	2.0
147.04419	5.5
148.05180	13.2
149.06161	2.4
149.07437	22.8
150.07768	5.9
150.09039	1.9
151.07567	9.6
155.07001	2.7
161.06007	7.0
163.03931	2.1
163.07552	67.1
164.07060	38.7
165.05510	4.4
166.06276	23.5
175.07521	2.2
175.14865	2.6
178.06009	1.9
179.07051	4.1
181.07100	2.8
181.08609	38.9
191.06351	1.8
201.09091	2.7
204.07387	1.9
219.10164	3.6
221.54834	1.8
237.11259	18.0
255.12277	66.3
303.13757	11.2
304.14011	28.9
315.91360	2.0
317.18637	3.5
331.19998	4.2
399.16379	2.6
404.14374	3.2
416.19379	9.6
434.18051	11.2
434.22852	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36637	37.0
55.05505	36.8
61.93414	33.5
70.68585	100.0
77.41891	36.9
111.99199	35.0
114.20443	33.8
119.22737	36.5
161.32130	35.0
163.03856	40.6
167.07086	65.6
212.56816	36.1
223.69073	33.4
374.31909	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	434.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.8
60.26825	7.3
63.50213	7.2
67.05490	16.6
69.03420	18.5
69.07047	10.4
71.53378	7.9
79.05476	11.3
80.23059	9.4
81.03431	14.1
81.07044	32.1
85.02883	21.0
91.05437	13.9
93.07047	33.4
95.04951	15.9
95.08603	16.9
97.02862	10.3
105.07009	15.9
107.04935	10.7
109.02850	8.5
109.06516	17.5
109.10173	8.9
116.52460	7.7
121.06523	7.7
122.03692	8.7
123.11696	11.9
127.03878	15.3
133.10143	17.2
134.78116	7.2
135.04311	12.6
136.39552	7.2
137.05927	26.6
137.71712	8.7
145.06471	10.3
151.03900	75.1
151.07555	51.3
151.11168	100.0
161.09630	9.5
163.03873	27.9
165.05489	13.2
167.31078	8.8
181.04897	17.4
188.08255	12.2
203.06979	19.5
203.10649	19.0
205.08580	10.3
219.17479	12.5
233.08096	16.4
247.09641	36.2
297.01691	9.1
353.13748	17.8
371.15002	37.5
402.22729	7.9
434.23734	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.6
55.01862	7.3
55.05509	9.1
57.03438	5.5
58.05218	3.9
64.06850	4.9
69.03433	43.0
69.07066	4.5
71.04987	7.8
71.51802	5.1
72.08141	7.4
73.02915	13.1
81.03414	17.8
81.07048	7.8
83.04964	6.7
83.08622	8.2
83.95802	3.8
85.02441	7.2
85.02915	100.0
85.06524	5.4
86.09708	9.0
87.00827	26.7
89.06026	8.4
91.03996	5.8
91.05462	14.4
91.48899	4.3
93.07024	7.5
95.04974	80.2
97.02895	28.9
99.04459	23.4
102.86570	5.0
105.01877	42.1
105.07067	9.7
106.02939	4.2
107.04946	9.8
107.08605	8.5
109.02866	14.4
109.06514	6.7
109.10150	6.5
115.03928	6.8
119.04939	12.2
119.08578	9.1
124.03963	6.0
127.03938	55.1
129.01852	8.4
133.06490	4.9
133.10124	14.3
135.06625	4.4
137.05952	12.0
145.04994	26.1
145.10136	5.5
147.04416	22.3
148.04721	5.9
149.04991	5.9
151.07520	50.6
151.11224	11.2
153.09103	36.3
159.02875	15.0
163.03990	5.3
164.07124	6.1
165.09129	11.1
167.14319	9.1
173.13281	10.4
175.07509	7.1
191.14284	6.8
193.08563	30.9
209.15396	94.9
211.09534	4.7
231.05090	12.4
231.10042	6.7
235.09656	10.8
237.11107	6.8
237.14856	9.1
253.83887	4.8
259.09708	11.1
277.10773	24.0
286.43613	5.4
304.14059	6.6
337.03085	4.7
434.17615	10.3
434.22791	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	434.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.6
55.01862	7.3
55.05509	9.1
57.03438	5.5
58.05218	3.9
64.06850	4.9
69.03433	43.0
69.07066	4.5
71.04987	7.8
71.51802	5.1
72.08141	7.4
73.02915	13.1
81.03414	17.8
81.07048	7.8
83.04964	6.7
83.08622	8.2
83.95802	3.8
85.02441	7.2
85.02915	100.0
85.06524	5.4
86.09708	9.0
87.00827	26.7
89.06026	8.4
91.03996	5.8
91.05462	14.4
91.48899	4.3
93.07024	7.5
95.04974	80.2
97.02895	28.9
99.04459	23.4
102.86570	5.0
105.01877	42.1
105.07067	9.7
106.02939	4.2
107.04946	9.8
107.08605	8.5
109.02866	14.4
109.06514	6.7
109.10150	6.5
115.03928	6.8
119.04939	12.2
119.08578	9.1
124.03963	6.0
127.03938	55.1
129.01852	8.4
133.06490	4.9
133.10124	14.3
135.06625	4.4
137.05952	12.0
145.04994	26.1
145.10136	5.5
147.04416	22.3
148.04721	5.9
149.04991	5.9
151.07520	50.6
151.11224	11.2
153.09103	36.3
159.02875	15.0
163.03990	5.3
164.07124	6.1
165.09129	11.1
167.14319	9.1
173.13281	10.4
175.07509	7.1
191.14284	6.8
193.08563	30.9
209.15396	94.9
211.09534	4.7
231.05090	12.4
231.10042	6.7
235.09656	10.8
237.11107	6.8
237.14856	9.1
253.83887	4.8
259.09708	11.1
277.10773	24.0
286.43613	5.4
304.14059	6.6
337.03085	4.7
434.17615	10.3
434.22791	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	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.5
61.51114	3.9
64.15342	3.2
67.05505	22.7
69.03418	5.7
69.07057	9.5
71.04988	4.4
71.18307	6.0
77.60179	4.2
79.05486	18.3
81.03413	5.1
81.07061	100.0
85.02908	18.1
87.00817	4.7
89.29356	4.1
91.05500	18.7
93.07048	44.8
95.04999	7.0
95.08604	26.2
97.10130	4.9
105.07039	37.9
107.08613	30.4
109.06514	9.6
109.10161	20.2
111.08126	9.1
117.07018	5.7
119.08587	24.6
121.10169	29.0
123.08076	7.3
123.11724	18.0
127.03914	11.6
131.08546	13.4
133.10144	31.5
135.11684	11.3
137.09650	6.8
145.04906	3.7
145.10147	29.7
147.11612	5.6
149.09650	4.5
149.13226	4.9
151.11166	17.8
155.29761	3.7
159.11726	21.1
161.13283	14.8
163.11172	20.8
165.12785	4.0
167.07092	3.7
169.12267	20.6
173.13266	10.6
175.14746	6.5
201.16412	46.0
219.17488	50.0
250.61394	4.5
456.12958	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.5
61.51114	3.9
64.15342	3.2
67.05505	22.7
69.03418	5.7
69.07057	9.5
71.04988	4.4
71.18307	6.0
77.60179	4.2
79.05486	18.3
81.03413	5.1
81.07061	100.0
85.02908	18.1
87.00817	4.7
89.29356	4.1
91.05500	18.7
93.07048	44.8
95.04999	7.0
95.08604	26.2
97.10130	4.9
105.07039	37.9
107.08613	30.4
109.06514	9.6
109.10161	20.2
111.08126	9.1
117.07018	5.7
119.08587	24.6
121.10169	29.0
123.08076	7.3
123.11724	18.0
127.03914	11.6
131.08546	13.4
133.10144	31.5
135.11684	11.3
137.09650	6.8
145.04906	3.7
145.10147	29.7
147.11612	5.6
149.09650	4.5
149.13226	4.9
151.11166	17.8
155.29761	3.7
159.11726	21.1
161.13283	14.8
163.11172	20.8
165.12785	4.0
167.07092	3.7
169.12267	20.6
173.13266	10.6
175.14746	6.5
201.16412	46.0
219.17488	50.0
250.61394	4.5
456.12958	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1651
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
53.03931	8.8
53.75224	2.1
55.01639	2.7
55.01878	37.6
57.03430	6.5
61.02915	8.7
69.03432	26.3
70.77125	3.2
71.04973	3.8
73.02937	3.9
77.72187	2.1
79.05499	11.8
81.03420	19.5
81.04530	2.3
81.07056	6.2
81.17452	2.0
81.39909	2.0
83.04968	5.3
85.02912	63.0
85.03441	3.6
87.64742	2.2
91.05483	37.0
91.86502	2.0
92.80376	2.1
93.07044	6.1
95.04951	8.9
97.02902	21.1
99.04472	4.7
103.05481	6.3
105.07019	5.5
107.04957	56.5
109.02852	6.7
109.06538	5.4
111.04433	3.9
115.05457	3.4
117.07013	5.1
119.04952	23.9
121.06511	48.2
123.04504	2.7
125.07099	3.7
127.03912	10.2
128.06206	5.8
129.07019	6.3
131.04916	8.2
131.08572	7.8
133.06491	9.6
135.04439	4.3
135.08067	3.2
137.05989	66.0
141.06963	7.0
143.08316	4.7
144.05696	9.9
145.04982	6.6
145.06490	22.9
146.07341	2.9
147.04398	7.6
149.06010	4.1
153.07008	9.3
155.06036	3.6
155.08527	8.5
157.06493	26.9
158.07277	7.8
159.08060	30.8
161.05968	3.3
163.07542	29.9
165.07019	21.8
166.07761	8.1
167.08551	5.4
168.05731	2.5
170.07361	3.3
171.08049	6.6
173.05965	6.6
173.09607	7.7
181.06462	12.0
181.10175	8.8
183.08029	16.4
185.05956	3.4
185.09625	11.4
186.06786	2.5
190.07739	5.4
191.08621	11.2
194.07259	16.8
195.08046	13.8
197.09666	3.0
198.06691	3.1
199.07526	8.5
199.11223	7.8
201.09137	53.9
209.09625	28.1
211.07576	13.5
213.09113	13.1
219.08064	7.5
222.06604	2.3
226.06366	2.5
227.07069	5.2
227.10622	11.0
237.09109	18.8
239.10684	2.6
241.15538	3.6
255.10188	55.1
257.11792	3.7
273.11227	100.0
273.17984	10.9
435.23251	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	435.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86290	2.0
53.03942	7.1
55.01639	2.7
55.01881	30.5
57.03443	4.2
61.02921	9.2
64.62762	1.9
67.04446	2.0
67.05499	2.9
69.03436	22.0
69.77961	3.3
69.78377	8.9
73.02895	3.7
79.05495	10.1
81.03430	11.5
81.07049	4.2
83.04976	5.2
85.02911	41.1
90.13412	2.1
91.05499	26.2
93.07030	6.1
95.04967	9.1
97.02896	19.4
99.04465	4.1
103.05464	5.5
105.07040	3.7
107.04966	49.3
109.02888	12.2
109.06512	7.0
115.05477	4.1
117.07012	6.1
119.04954	21.3
120.05777	3.0
121.02921	4.0
121.06513	32.4
121.24081	2.3
123.04374	2.3
127.03923	7.2
128.06247	4.6
129.07039	5.0
131.04942	6.4
131.08571	4.1
133.06462	5.2
135.04396	8.3
137.05022	4.3
137.05998	50.9
141.07001	6.1
143.08533	4.0
143.63008	2.4
144.05685	6.9
145.04942	5.3
145.06503	17.2
145.10083	2.4
147.04428	7.8
149.06003	7.1
153.07016	6.0
155.08623	3.7
157.06525	21.8
158.07262	6.4
159.08034	21.4
163.07573	19.4
165.06993	15.1
166.07796	8.7
167.08588	6.1
169.06477	5.1
169.10109	2.8
171.08044	6.7
173.05998	4.9
173.09634	9.7
175.07739	2.3
181.06517	7.6
181.10133	4.2
183.08049	13.9
185.05972	4.8
185.09607	7.6
189.06995	2.7
190.07758	3.4
191.08571	13.3
194.07280	12.3
195.08018	11.7
197.06059	4.0
198.06721	3.8
199.07552	6.8
199.11177	6.0
200.08356	3.1
201.09123	39.0
209.09645	20.7
211.07568	12.6
212.08260	2.6
213.09038	11.8
219.08112	4.8
222.06763	3.6
227.06952	3.3
227.10654	10.2
237.09151	13.7
248.56642	2.4
255.10191	49.0
257.11639	4.0
266.08530	2.8
273.08234	4.7
273.11234	100.0
274.80484	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1651
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03929	2.4
55.01854	1.6
55.05494	2.4
55.52623	0.6
65.03651	0.8
65.03937	7.6
67.05486	4.0
69.03421	4.5
69.07067	1.1
70.86575	1.7
79.05493	7.5
80.37745	0.7
81.03426	4.1
81.07036	2.3
82.04195	1.9
85.02908	7.3
91.05478	3.9
93.03395	2.5
93.07030	1.6
95.04967	3.6
95.08616	2.0
95.98987	0.7
97.02878	1.4
97.06525	2.6
100.11233	2.4
103.05456	2.2
104.12887	0.7
105.07019	2.1
105.46213	0.7
107.04955	18.4
107.08566	1.9
108.02081	1.6
109.06488	1.2
109.10118	1.8
110.03669	4.3
110.39855	0.6
111.04440	1.3
115.05428	4.0
116.06245	0.7
116.29175	0.7
117.07019	5.1
119.04932	0.7
119.08509	0.9
121.06499	1.3
121.10146	0.9
123.04430	3.3
124.05190	2.3
125.05980	2.6
127.03905	6.1
128.06177	1.5
129.06996	2.0
131.04909	2.7
131.08559	1.5
133.06519	2.0
133.10159	0.8
135.04434	1.1
137.02321	1.0
137.06012	0.8
138.03134	2.0
141.06972	2.1
142.02641	4.0
144.05713	3.1
145.06480	7.4
147.04430	1.4
147.08061	1.4
149.05904	0.8
151.11063	0.8
152.04683	1.4
153.05463	3.8
153.12723	4.7
155.04909	0.9
155.06017	1.7
155.07089	1.0
156.05690	1.1
157.06474	3.2
159.08054	4.0
161.05942	5.0
163.03879	2.6
167.07039	49.0
171.06555	2.9
172.05202	8.0
173.05984	5.0
175.07515	2.1
176.04567	0.9
177.09105	1.4
181.04955	100.0
182.15404	1.5
183.06551	0.8
185.05946	1.2
187.07552	9.3
189.05527	3.5
189.06979	0.8
191.07047	1.9
191.10632	2.7
193.05013	0.9
195.06532	2.5
200.04660	2.5
201.05466	6.7
201.16397	0.8
203.06987	1.5
205.06784	1.1
205.08582	5.0
206.05687	3.1
207.06494	1.1
207.10150	1.0
209.16460	0.9
210.14897	2.4
213.05316	1.1
217.08693	1.2
218.05690	6.5
218.07491	0.8
219.10133	5.7
221.08038	5.4
233.08076	52.8
235.07501	1.3
235.09630	2.1
245.08075	2.9
251.06950	1.1
251.09135	5.0
261.09125	0.9
263.06995	0.9
263.09198	13.7
273.07596	1.3
277.08524	0.8
279.10193	0.7
280.07260	1.1
281.10358	0.9
292.07428	1.0
293.07849	1.0
295.09555	1.3
305.08066	0.7
307.09656	1.1
308.06970	0.8
309.07727	0.8
323.08994	1.4
324.09879	1.2
331.74799	0.9
332.25238	0.9
337.10468	0.8
339.12265	1.5
344.12439	1.1
355.11987	3.3
357.13318	1.1
367.11707	3.8
371.14734	2.1
372.11853	1.0
381.13330	2.6
384.11853	1.1
387.14346	9.8
399.14310	7.1
417.15448	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.5
51.02381	1.3
53.03950	5.4
55.01878	0.6
55.05505	0.7
62.02494	0.3
65.30313	0.4
67.05502	1.7
69.07057	1.1
71.04997	0.6
71.41470	0.4
71.75256	0.3
77.03923	1.8
79.05495	1.3
81.03413	0.9
81.07057	2.0
82.67052	0.3
83.04974	0.5
83.08618	0.4
84.95079	0.3
85.02914	0.4
91.05476	4.6
91.89912	0.3
93.07053	1.1
94.04164	0.6
95.04971	6.0
95.08585	1.8
103.05412	0.7
105.03396	100.0
105.04538	3.3
105.07001	1.6
106.03729	0.6
107.04984	2.5
107.08585	1.0
109.06512	1.0
109.10153	1.1
111.04412	0.4
115.05451	0.4
117.03350	0.3
117.07004	0.7
119.04936	2.0
119.08584	1.3
121.06527	0.8
121.10150	0.6
122.03640	1.2
123.04424	0.4
123.08072	0.6
128.06226	1.0
129.07001	4.6
131.04956	0.7
131.08575	0.8
133.06480	0.5
133.10161	0.8
135.08051	0.9
135.11742	0.4
137.05983	19.0
137.09659	0.3
145.06454	0.5
145.10127	0.8
147.11700	0.4
148.70300	0.4
149.05998	0.6
151.03923	0.5
151.07553	11.3
152.06317	0.4
157.06514	3.4
157.10136	0.7
159.08096	0.4
159.11717	0.7
161.05998	1.3
161.09619	0.7
163.03925	0.7
163.07559	1.8
165.07028	2.4
167.07033	0.5
169.06488	0.4
171.11673	0.5
173.13313	0.5
174.06737	1.5
175.07523	1.8
178.07768	1.5
179.08582	0.5
181.06505	0.7
182.07304	0.9
187.07637	0.3
187.14752	0.4
189.09106	9.9
192.09395	0.5
193.06497	2.2
193.10146	2.6
195.08177	0.4
196.08913	0.4
197.06032	0.5
197.09698	0.5
203.08643	0.8
206.07343	0.7
207.08138	0.5
209.05975	0.3
210.06784	2.2
211.07532	0.6
213.16441	0.4
219.07971	0.4
220.08838	0.7
221.06046	3.4
221.09593	3.3
224.08376	1.6
225.09119	3.0
235.07605	0.7
237.09143	0.5
238.06319	0.7
238.09895	0.6
239.07059	0.4
239.10684	0.6
241.08734	0.5
249.09215	1.8
251.07260	0.4
252.07898	0.7
253.08560	2.4
253.12247	6.2
255.06593	0.7
267.10184	2.6
269.08121	1.0
272.10541	0.8
281.11719	4.4
285.11237	7.3
313.14343	10.4
381.61243	0.3
403.13904	0.4
417.34070	0.4
435.18298	1.2
435.27634	1.0
435.32486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.0
53.03715	0.4
53.03948	6.1
55.01871	0.9
55.05498	1.4
57.07061	0.4
67.05514	2.0
69.07049	1.3
70.82400	0.3
71.52398	0.6
77.03951	1.3
79.05505	2.2
81.03408	0.6
81.07061	3.7
82.47231	0.4
83.04979	0.4
83.08618	0.7
91.05477	6.0
91.74476	0.3
93.07044	3.2
94.04185	0.6
95.04980	6.8
95.08612	4.2
103.05443	0.5
105.03394	100.0
105.04535	2.9
105.07018	4.4
106.03732	0.6
107.04949	1.9
107.08604	5.8
109.06528	1.4
109.10143	2.3
115.05484	0.8
117.07024	1.2
118.06552	0.4
119.04945	2.1
119.08585	5.8
121.06516	0.4
121.10140	3.2
122.03682	1.2
123.08117	0.6
123.11680	0.6
126.54657	0.4
128.06244	1.2
129.07021	5.2
131.04938	0.4
131.08565	2.9
133.10141	5.2
135.08041	1.0
135.11743	1.1
137.05978	21.0
137.09538	0.4
138.63651	0.3
143.04953	0.5
143.08586	1.3
144.09314	0.5
145.06483	0.5
145.10126	4.7
147.11668	2.2
149.05940	0.6
149.13272	1.2
151.03909	0.4
151.07538	11.3
151.08675	0.6
156.09308	0.4
157.06493	4.0
157.10153	2.5
159.11690	5.8
159.50053	0.5
161.06020	1.4
161.09624	1.1
161.13295	1.5
163.03966	0.9
163.07547	2.4
163.14749	0.4
165.07024	2.8
166.69687	0.4
167.08658	0.7
169.10080	0.5
171.11635	1.8
173.13284	2.3
174.06711	1.7
175.07564	1.5
175.14854	2.8
177.09053	0.7
177.16399	1.4
178.07802	1.8
179.08542	0.5
181.06505	0.9
182.07219	1.0
183.11754	0.7
185.13303	1.3
187.14825	2.1
189.09105	11.6
189.16432	2.5
192.09241	0.6
193.06546	1.6
193.10141	2.9
195.08023	0.6
197.06013	0.6
197.13257	0.8
199.14784	2.4
201.16374	6.5
203.08661	0.5
203.17946	0.7
207.08154	0.5
209.06042	1.0
209.09512	0.4
210.06769	2.1
211.07605	0.6
211.14882	0.5
213.16371	2.4
215.17990	2.3
221.06067	3.6
221.09549	3.8
224.08392	1.5
225.09096	3.1
225.16415	0.5
227.06999	0.8
227.17903	0.4
237.09184	0.7
238.06282	0.8
238.09869	0.4
239.07153	0.4
239.10760	0.8
247.17007	0.3
249.09117	1.7
252.07802	1.1
253.08620	2.6
253.12244	6.9
253.19348	0.5
255.06566	0.6
261.18509	0.8
262.38321	0.4
267.10187	2.9
267.21237	0.4
269.08224	0.6
279.21222	0.4
281.11719	4.3
281.22778	0.4
285.11227	8.1
293.22778	0.7
311.12845	0.5
313.14340	10.9
326.49380	0.4
341.24908	0.8
343.49432	0.4
379.26563	0.5
389.31985	2.8
407.33179	0.9
435.18185	1.0
435.27728	1.0
435.32684	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	435.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01861	1.0
55.05505	0.9
57.03444	0.5
62.57948	0.4
67.05487	1.6
69.03443	2.8
69.07048	0.8
71.04987	0.6
71.52200	0.9
76.81110	0.5
77.03924	0.7
79.05505	5.3
81.03417	3.6
81.07059	6.0
83.04978	1.3
83.08584	0.6
85.02912	4.0
91.05468	2.8
93.07048	2.0
95.04966	1.2
95.08604	2.3
97.02900	2.6
103.05473	24.7
104.68399	0.5
105.07027	2.5
107.04946	1.9
107.08606	5.0
109.02872	1.5
109.06528	0.6
109.10153	0.9
111.04455	1.0
115.05466	1.0
117.03419	0.6
117.07030	1.2
119.08587	1.5
121.06514	1.2
123.04427	0.5
123.08074	2.1
123.11681	2.5
125.09610	0.8
127.03909	1.6
128.06232	0.7
129.07002	0.6
131.04932	100.0
132.05197	0.9
133.06493	1.2
133.10211	1.0
135.04410	0.8
135.08061	2.1
136.07588	1.2
137.06010	0.7
137.09564	0.6
137.80589	0.5
139.50676	0.5
143.10686	1.2
145.05037	0.5
145.06474	0.6
145.10147	0.6
147.08020	0.6
149.05995	6.6
149.09563	1.1
151.11151	1.2
153.09183	1.2
159.08026	1.1
163.03897	5.3
167.07066	4.8
167.85962	0.4
172.05246	0.6
173.09772	0.5
177.09142	1.0
181.04959	7.9
181.26083	0.5
187.07549	0.7
203.10670	0.8
215.10753	1.1
231.10103	1.2
233.08096	3.8
233.11705	2.4
238.15274	0.7
241.09682	0.7
251.09209	0.6
251.12830	1.5
259.10770	0.8
263.09106	1.6
269.13831	0.9
275.09143	2.3
293.10223	8.0
311.10303	0.8
315.13208	0.9
323.53278	0.5
339.09546	1.0
343.12973	1.1
371.12378	1.8
403.15161	1.9
417.15433	1.9
435.18536	1.2
455.23608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01861	1.0
55.05505	0.9
57.03444	0.5
62.57948	0.4
67.05487	1.6
69.03443	2.8
69.07048	0.8
71.04987	0.6
71.52200	0.9
76.81110	0.5
77.03924	0.7
79.05505	5.3
81.03417	3.6
81.07059	6.0
83.04978	1.3
83.08584	0.6
85.02912	4.0
91.05468	2.8
93.07048	2.0
95.04966	1.2
95.08604	2.3
97.02900	2.6
103.05473	24.7
104.68399	0.5
105.07027	2.5
107.04946	1.9
107.08606	5.0
109.02872	1.5
109.06528	0.6
109.10153	0.9
111.04455	1.0
115.05466	1.0
117.03419	0.6
117.07030	1.2
119.08587	1.5
121.06514	1.2
123.04427	0.5
123.08074	2.1
123.11681	2.5
125.09610	0.8
127.03909	1.6
128.06232	0.7
129.07002	0.6
131.04932	100.0
132.05197	0.9
133.06493	1.2
133.10211	1.0
135.04410	0.8
135.08061	2.1
136.07588	1.2
137.06010	0.7
137.09564	0.6
137.80589	0.5
139.50676	0.5
143.10686	1.2
145.05037	0.5
145.06474	0.6
145.10147	0.6
147.08020	0.6
149.05995	6.6
149.09563	1.1
151.11151	1.2
153.09183	1.2
159.08026	1.1
163.03897	5.3
167.07066	4.8
167.85962	0.4
172.05246	0.6
173.09772	0.5
177.09142	1.0
181.04959	7.9
181.26083	0.5
187.07549	0.7
203.10670	0.8
215.10753	1.1
231.10103	1.2
233.08096	3.8
233.11705	2.4
238.15274	0.7
241.09682	0.7
251.09209	0.6
251.12830	1.5
259.10770	0.8
263.09106	1.6
269.13831	0.9
275.09143	2.3
293.10223	8.0
311.10303	0.8
315.13208	0.9
323.53278	0.5
339.09546	1.0
343.12973	1.1
371.12378	1.8
403.15161	1.9
417.15433	1.9
435.18536	1.2
455.23608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.0
55.01860	4.3
55.05505	6.5
57.03437	3.4
57.07076	1.7
61.02928	2.5
65.03946	7.9
67.05508	9.8
67.43499	1.6
67.64613	1.5
69.03426	12.2
69.07065	10.5
69.93082	5.7
70.38272	1.8
71.05000	4.1
72.24020	1.7
73.02898	1.9
76.41636	1.8
79.05503	16.0
81.03425	9.4
81.07066	29.2
82.04198	1.8
83.04980	9.5
83.08620	3.4
85.02439	2.4
85.02914	27.5
85.06502	2.1
86.03254	2.8
87.00832	7.0
88.01136	2.0
89.03923	3.0
91.05492	9.8
93.03413	1.9
93.07053	22.3
95.04974	7.9
95.08616	25.8
97.02861	8.9
97.06556	5.9
99.04462	2.1
101.06030	2.5
101.07764	1.8
105.01859	10.7
105.07039	21.3
106.02168	2.6
107.04965	21.5
107.08601	24.7
109.02908	9.2
109.06544	5.1
109.10171	22.8
110.03704	2.3
111.04443	4.8
111.08055	3.3
115.05439	3.4
116.06236	2.4
117.03394	2.5
117.07025	7.9
119.08574	12.7
121.06498	2.6
121.10158	11.8
123.04433	5.6
123.11739	6.8
124.05192	2.4
125.06017	2.9
125.09650	9.0
127.03935	19.9
128.04260	2.8
128.06175	2.0
129.07034	4.0
131.04944	2.5
131.08591	6.6
133.06509	4.7
133.10143	12.3
135.04451	6.6
135.11720	9.8
137.06013	4.2
137.09636	5.8
141.06975	2.6
142.02608	2.9
144.05698	4.0
145.02884	3.7
145.04970	3.7
145.06465	9.1
145.10129	11.5
146.05298	2.0
147.04347	2.1
147.08067	2.8
147.11737	6.5
149.13245	7.6
151.11209	5.3
153.05457	2.7
153.12782	7.3
155.06047	2.3
155.10678	5.1
157.06444	4.2
157.10037	1.8
159.08073	3.6
159.11723	10.7
161.06010	6.8
161.13249	6.2
163.03914	31.2
163.11162	2.9
165.09161	3.9
167.07054	61.0
169.12251	4.3
170.12675	2.1
171.06584	4.1
172.05168	15.0
173.05998	8.0
173.11798	2.6
173.13283	3.4
175.03918	2.4
175.07480	2.2
175.14815	2.1
176.04663	2.0
177.16437	2.4
181.04964	100.0
187.07552	8.8
189.05548	4.8
189.16406	3.2
191.10690	2.6
195.06566	2.6
200.04645	7.1
201.05423	9.8
201.16359	15.9
205.08588	3.7
206.05705	2.1
207.17601	2.5
218.05743	10.5
219.06454	2.1
219.10237	4.5
219.17450	12.2
221.08104	8.4
231.05055	5.3
232.05296	3.9
233.08092	85.6
235.09630	4.4
237.18454	10.2
245.08131	3.3
246.94482	1.8
251.09235	6.1
255.19710	3.2
263.09164	19.3
273.12518	3.0
295.09689	2.5
322.50558	1.9
331.08075	2.1
339.12292	2.2
355.11823	2.2
367.11768	3.7
372.12109	2.2
384.12076	2.2
387.14456	11.1
399.14447	6.5
405.15045	2.2
417.15430	39.4
435.15720	3.2
435.23648	2.3
435.32428	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	435.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01851	3.4
55.05505	9.7
57.03425	3.9
59.05014	2.5
61.02916	3.0
63.78314	2.3
65.03943	7.3
67.05514	15.1
68.99761	2.1
69.03433	10.3
69.07063	9.5
69.77309	14.2
71.04977	6.9
79.05495	17.5
81.03416	10.6
81.07069	33.7
82.04198	4.4
83.04987	15.5
83.08595	4.5
83.90763	2.5
85.02916	25.5
86.03242	4.4
87.00815	5.6
91.05511	13.4
93.07058	30.4
95.04942	7.1
95.08611	37.0
97.02888	6.9
97.06549	6.2
98.21497	4.9
101.06049	3.0
103.05491	2.8
105.01855	7.8
105.07032	21.0
107.04971	24.9
107.08602	33.7
109.02886	10.6
109.06527	5.5
109.10178	32.7
111.08078	4.4
115.05450	5.1
117.07020	9.5
119.08582	14.0
120.08096	3.2
121.06553	3.9
121.10152	22.8
123.04359	3.4
123.08062	3.0
123.11697	7.4
124.05235	3.8
125.06016	3.7
125.09646	9.9
127.03943	21.3
127.11198	2.8
128.04305	3.7
131.05022	3.3
131.08598	8.7
133.06534	3.7
133.10118	15.1
135.04402	2.5
135.11737	20.8
137.09651	6.2
137.13258	3.3
138.03130	2.9
141.07036	2.6
142.02696	3.9
144.05731	3.4
145.02835	4.1
145.04951	6.3
145.06473	10.2
145.10130	19.6
147.04367	3.3
147.11685	9.3
149.13249	19.0
151.03969	2.6
151.11171	4.2
153.05458	3.6
153.12755	15.7
155.06039	4.1
155.10706	7.1
157.06479	3.8
159.11722	16.2
161.05954	7.5
161.13258	7.5
163.03934	18.4
163.11185	4.3
163.14839	3.1
165.07214	2.3
165.08984	3.0
167.07051	56.7
169.12177	5.9
171.06581	4.3
172.05211	8.3
173.05927	5.9
173.11761	4.3
173.13214	4.7
175.14844	4.7
177.09013	2.9
177.16336	3.1
181.04987	100.0
187.07515	6.5
189.05580	5.2
189.16322	3.8
190.06346	4.2
191.17987	4.4
195.06548	3.1
195.54427	2.7
200.04594	4.2
201.05478	8.5
201.16396	23.9
205.08641	4.8
206.05905	3.2
218.05721	7.1
219.10184	6.0
219.17465	15.7
221.08073	6.9
225.01695	2.7
233.08107	66.6
235.09700	5.9
237.18498	18.0
251.09056	5.3
255.19691	4.1
263.09232	14.9
295.09473	3.3
331.08194	4.5
367.11810	4.1
381.13263	4.5
387.14380	13.6
399.14417	6.2
417.15524	39.4
435.24615	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	435.3259
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03942	2.3
55.05506	10.0
57.07058	3.2
67.05503	17.8
69.07072	17.6
69.18526	13.1
74.80669	1.3
76.13129	1.3
79.05493	12.2
81.07056	32.0
81.76797	1.2
83.08616	6.8
85.06533	1.7
91.05495	11.3
93.07050	20.6
95.04990	1.4
95.08607	30.6
95.95084	1.2
97.10145	1.8
105.07039	21.8
107.08593	30.4
109.06522	9.8
109.10161	29.1
109.10920	1.5
111.08080	2.7
117.07021	4.4
119.08585	32.0
121.10145	18.8
123.08036	3.0
123.11692	7.4
127.07586	2.4
128.06235	1.5
129.07028	4.6
131.08578	13.8
133.10132	22.5
135.11673	13.4
137.13260	2.7
142.07762	2.9
143.08549	9.6
145.10118	23.2
147.11671	14.1
149.13274	14.2
151.07483	2.0
153.09105	2.5
155.08553	6.0
156.09399	3.0
157.10117	12.0
159.11685	16.9
161.13272	8.9
163.03940	4.1
163.07504	2.2
163.14867	5.0
169.10110	6.4
170.10939	1.9
171.11690	8.2
173.13269	14.2
175.14851	12.8
177.09126	1.5
177.16403	4.4
179.08595	1.4
181.10141	4.0
182.10870	2.6
183.11717	7.8
184.12532	1.8
185.13234	9.6
187.14847	11.4
189.16382	12.0
191.18010	2.6
195.11723	4.5
197.13202	9.1
199.14809	9.9
201.16380	18.5
203.10582	1.4
203.17969	9.2
207.11742	2.6
209.13275	4.3
211.14824	6.4
213.16365	11.0
215.14340	1.5
215.17943	10.7
217.19521	2.3
219.13927	1.3
223.14885	4.0
225.16539	6.6
227.17987	5.2
227.89398	1.7
229.15855	1.9
229.19485	2.1
231.13861	1.7
237.16432	7.4
239.17987	6.4
241.19479	2.8
245.15486	2.8
247.17081	2.5
251.18057	2.6
253.19528	2.9
255.21257	2.2
257.15500	2.3
259.16968	4.1
259.39453	1.4
263.17877	2.7
265.19510	3.2
267.21170	3.6
269.15530	1.7
271.17108	2.2
273.18539	2.1
277.19452	1.8
279.21170	3.3
281.22577	3.5
283.16968	4.3
285.18661	2.1
293.22711	3.4
297.18518	4.0
299.19955	1.4
307.24481	1.6
311.20053	1.7
319.24261	4.5
321.25644	1.9
325.21582	2.8
337.21634	1.9
353.24884	2.0
379.26453	2.4
389.32065	26.3
407.33359	2.5
417.31696	3.0
435.32657	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	435.326
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03946	3.9
55.05510	5.0
57.07065	3.3
67.05515	8.5
69.07069	6.9
69.46033	0.9
69.50478	2.0
69.50880	5.3
77.03938	1.8
79.05500	5.3
81.07055	16.2
83.05006	1.3
83.08620	4.0
89.76594	0.9
91.05482	11.1
93.07046	15.7
95.05005	5.0
95.05491	1.1
95.08615	24.7
97.10199	1.5
98.21556	1.9
99.07148	1.0
103.05438	1.6
105.03400	48.5
105.04529	2.7
105.07034	19.8
107.04976	2.1
107.08598	27.2
109.06516	3.1
109.10159	12.5
115.05491	1.2
117.07017	4.4
119.04956	1.1
119.08589	30.1
121.06526	1.2
121.10148	17.0
123.08025	1.2
123.11725	4.1
128.06256	1.7
129.07042	4.8
130.07825	1.0
131.08583	12.1
133.10141	22.5
135.11703	8.2
137.05986	10.3
137.13275	1.3
142.07790	2.6
143.08534	7.7
144.09361	2.5
145.10123	25.4
147.11716	10.8
149.13208	5.5
151.07558	6.0
156.09372	2.9
157.06448	2.0
157.10144	9.8
158.10873	1.9
159.11702	28.6
161.06017	1.4
161.09660	1.9
161.13284	8.4
163.03938	3.2
163.07481	2.2
163.14841	3.9
165.07083	1.5
169.10216	3.9
170.10939	1.4
171.11700	12.6
172.12494	1.7
173.13289	13.0
175.14836	17.8
177.09183	1.4
177.16406	6.5
181.10165	1.6
183.11700	3.9
184.12544	1.5
185.13290	5.6
185.14706	0.9
187.14838	17.3
189.09155	5.1
189.16383	14.5
191.18027	2.0
193.06540	1.7
193.10103	2.2
195.08089	1.2
197.13321	2.6
199.14801	12.0
201.16397	37.8
203.17993	5.0
209.13255	1.6
210.06789	1.5
211.14847	1.9
213.16394	14.8
215.17928	11.2
217.15993	1.0
221.05983	2.1
221.09726	1.9
223.14857	2.1
225.09062	2.0
225.16458	2.5
227.17979	4.0
229.15971	1.5
229.19501	1.9
231.17470	1.9
233.15291	1.3
235.17000	1.1
237.16403	2.0
239.18001	2.8
241.19577	3.6
243.21121	1.1
247.17050	3.2
249.09035	1.4
251.17989	1.5
253.08649	1.4
253.12282	3.2
253.19527	3.4
259.16925	1.7
261.18463	1.9
267.21091	1.7
281.11780	1.4
281.22754	2.3
285.11273	3.8
287.20056	1.1
288.21335	1.1
293.22665	2.0
299.20096	2.3
311.23834	2.1
313.14383	4.5
319.24487	1.3
327.23114	2.4
339.23187	1.4
341.24890	2.9
347.27524	1.0
351.23434	1.2
365.24805	2.0
389.32074	14.8
407.33191	4.2
417.31348	2.1
435.27786	3.9
435.32648	100.0
436.32968	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	435.3472
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
55.01872	0.7
55.05516	0.5
67.05515	0.4
69.07068	1.2
69.79671	0.4
69.80079	0.9
71.08629	0.3
74.09714	0.3
79.05497	0.3
81.07035	0.8
83.08620	0.7
91.05456	0.3
95.08612	0.7
97.10162	0.4
99.00807	0.6
99.04457	3.3
105.07014	0.3
107.08622	0.3
109.06550	0.3
109.10146	0.5
111.04449	3.3
119.08588	0.3
125.05999	10.2
141.05460	5.0
153.05473	100.0
154.05832	0.5
167.07051	0.7
167.53406	0.2
172.59926	0.3
197.13208	0.3
242.15202	0.3
417.33655	11.0
428.43185	0.3
435.34732	34.7
436.34958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1971
Annotation	Neooxaline
Peak:m/z	Relative Intensity
53.03929	0.5
53.54139	0.5
55.01885	0.5
55.05520	0.6
62.25991	0.4
64.74567	0.4
65.31763	0.5
67.05516	2.7
69.03425	0.7
69.07057	1.7
70.06592	0.5
71.04951	0.5
71.52573	0.7
73.02929	0.5
74.06086	0.6
79.05495	2.7
81.03414	1.4
81.07064	3.3
83.04972	0.7
83.08620	0.6
85.02899	1.3
86.06048	0.5
88.03983	0.6
91.05490	3.0
93.07039	4.6
95.04958	1.0
95.08606	8.2
97.02886	0.8
97.06517	0.5
102.05503	1.0
105.01855	0.8
105.07034	2.1
105.77840	0.5
106.06599	0.5
107.08607	4.5
109.10168	0.8
110.22710	0.4
115.05411	0.5
117.07042	1.2
118.06512	0.5
119.08583	1.9
120.08103	1.1
122.96038	0.5
123.08070	0.6
124.03962	0.5
127.03922	1.2
129.07010	1.3
130.05016	1.0
130.06526	0.5
131.08588	2.6
132.08102	1.1
133.06544	0.6
133.08870	0.6
133.10088	0.6
135.11688	2.1
137.05971	0.6
144.08032	1.2
145.06483	0.6
145.10091	0.8
146.06021	0.6
146.09627	1.0
148.07593	0.7
148.11148	0.5
151.06319	2.2
151.07394	0.6
153.12755	16.0
155.08664	0.8
158.09753	0.6
159.08054	1.0
160.87155	0.5
161.05904	0.5
163.03937	0.9
163.07603	0.5
164.04242	0.6
164.07086	4.1
165.07942	0.6
167.07040	0.8
167.08472	0.7
168.07336	0.6
169.10153	0.7
171.11691	0.7
176.07086	0.7
177.07825	4.0
178.08611	1.2
181.04944	1.4
181.10191	1.0
183.11729	0.5
185.13260	0.6
190.08641	3.4
191.09447	1.0
192.10254	0.8
197.13272	1.1
204.10258	0.8
207.11739	1.0
209.13329	1.0
216.10088	0.5
225.12759	1.2
226.15724	0.6
230.11731	0.7
232.13361	1.1
235.08420	1.1
236.09227	0.8
237.12898	0.6
238.10852	0.6
238.16115	0.6
241.12308	0.6
253.12430	0.6
254.15372	0.7
258.11374	0.8
261.14999	0.5
276.12402	2.5
281.86276	0.5
282.14969	0.7
284.16354	0.8
286.14420	1.1
288.15967	0.9
296.14844	2.7
300.16006	1.3
305.12527	4.8
314.14023	0.6
328.15469	2.0
330.17059	0.8
332.14899	3.6
346.16586	3.3
356.14935	1.6
374.15891	11.8
374.19800	1.4
390.15103	0.7
390.19244	5.3
392.17035	17.9
393.17175	0.7
418.19019	3.0
436.19699	100.0
437.20245	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.05503	2.4
56.52484	0.5
57.03428	1.8
57.07064	0.7
61.02914	0.9
61.67451	0.5
67.05506	6.3
69.03440	2.6
69.07071	8.0
70.06590	0.6
71.04977	1.0
73.02924	0.5
74.53651	0.5
78.58125	0.5
79.05482	2.9
81.03411	2.0
81.07058	7.9
83.04987	0.6
83.08629	2.7
85.02903	6.7
87.00818	3.1
91.05489	2.6
92.45975	0.5
93.07045	18.9
95.08608	54.0
96.08963	0.8
97.02900	3.0
97.06519	1.3
99.04438	0.7
105.01867	9.1
105.07070	0.8
107.08595	19.5
109.02890	0.9
109.10159	5.1
111.08091	0.8
111.11647	0.6
116.92759	0.5
119.08578	0.6
121.10112	1.0
123.11694	2.6
127.03909	3.4
130.44362	0.5
133.10155	0.7
135.11691	15.4
145.04944	2.1
153.12747	100.0
154.13068	1.4
157.12267	0.9
161.45410	0.6
167.07025	0.7
170.15408	0.8
231.05090	2.0
234.08516	0.9
249.06020	3.1
333.72192	0.5
401.18112	0.7
436.32626	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01870	3.6
55.05499	3.6
57.03431	4.1
59.02469	2.3
65.03960	2.4
67.05498	6.7
67.61066	2.2
69.03441	14.7
69.07056	7.0
71.04987	6.8
71.10416	4.7
73.02898	2.4
79.05490	6.2
80.53201	2.7
81.03416	10.4
81.07044	9.9
83.08613	3.6
85.02908	31.7
87.00836	17.5
90.06912	1.9
91.05492	4.9
93.07040	25.4
95.08621	37.6
97.02900	12.6
99.04457	4.6
100.02428	2.2
105.01870	23.8
107.04964	5.5
107.08597	19.4
108.05283	2.7
109.02879	7.7
109.10155	4.6
117.07007	2.8
118.88816	2.2
127.03928	24.7
132.08873	2.4
135.11723	18.6
144.61287	2.2
145.04956	9.1
145.06508	2.6
153.05490	3.0
153.12755	100.0
159.02928	3.5
164.04329	2.4
165.12712	4.1
167.07059	17.1
168.07426	10.7
171.13818	5.4
173.09668	3.2
181.04997	30.6
182.05370	18.7
187.10892	2.2
196.27744	2.1
220.10632	2.8
231.05086	6.8
233.08070	10.0
234.08447	16.6
249.06035	3.2
261.14709	2.8
263.09320	3.1
264.09399	3.5
270.11929	2.4
282.02408	2.4
324.01428	2.6
388.14633	2.9
400.14761	4.3
418.15555	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.5
51.09071	1.1
52.14197	1.4
53.03942	5.9
55.01865	5.1
55.05511	7.4
57.03424	4.1
61.02911	3.7
65.03955	1.3
67.05508	10.2
69.03427	19.2
69.07058	4.7
71.01352	1.4
71.04976	4.2
71.10983	2.9
73.02901	3.8
79.05501	12.8
81.03420	16.3
81.07059	12.6
83.01322	1.4
83.04978	2.6
83.08627	2.5
85.02905	53.3
85.06542	1.6
87.00832	26.6
88.69598	1.4
91.03950	1.9
91.05004	0.8
91.05476	22.8
93.07044	88.4
95.05000	7.3
95.08605	22.9
97.02898	26.2
97.06540	5.9
99.04456	12.3
105.01871	35.5
105.04517	1.8
105.07043	9.0
107.08595	100.0
108.08935	1.3
109.02879	15.5
109.06522	4.8
109.10162	6.5
117.01891	2.1
119.06081	1.4
119.08567	6.2
123.04429	3.9
127.03920	40.2
128.07980	1.2
129.01825	2.9
133.10094	1.3
135.11694	66.0
145.04964	25.9
145.10086	3.4
147.02881	2.2
147.11667	1.5
153.09109	2.3
153.12785	8.0
159.02924	8.5
159.11758	2.0
163.03839	2.2
163.11224	1.8
164.04207	1.8
167.07040	2.1
170.15399	2.5
171.13762	3.2
177.12711	1.5
181.04967	3.5
182.05295	1.9
189.03874	2.8
213.03943	1.8
225.12712	1.7
231.05019	10.2
243.13815	2.6
249.05969	6.1
261.14954	1.6
290.09021	1.4
303.26474	1.3
365.15805	2.0
383.16687	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.8
55.01872	3.6
55.05506	5.8
57.07072	4.9
65.03944	2.5
67.05498	8.2
67.23013	2.1
69.03426	9.1
69.07069	9.3
69.33467	2.2
69.33835	17.9
71.05013	2.7
71.36443	2.0
73.02899	2.4
79.05498	10.5
81.03419	8.0
81.07070	54.4
85.02911	21.7
87.00833	12.2
91.05510	14.1
93.07057	98.0
93.07645	5.5
95.04945	3.7
95.08627	32.1
97.02901	12.0
99.04479	5.0
105.01881	14.7
105.07023	6.5
107.08606	67.0
109.02889	9.6
109.06522	2.3
109.10169	12.7
115.03903	3.0
119.08614	3.6
127.03943	19.0
129.01857	2.2
135.11714	100.0
135.12741	5.1
137.13274	41.9
145.04916	11.4
153.12772	3.2
159.02930	4.3
181.33429	2.1
231.05034	3.1
401.58289	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.9
54.03736	2.1
55.01860	5.9
55.05501	5.8
61.02927	5.2
67.05495	6.2
69.03435	19.2
69.07063	5.7
69.74776	9.9
71.04990	3.8
73.02908	5.4
79.05497	13.8
81.03423	18.5
81.07060	10.6
85.02442	3.5
85.02911	51.8
87.00841	18.8
91.05487	20.8
93.07051	90.4
93.07639	4.5
95.04964	6.2
95.08614	11.5
96.89888	2.0
97.02380	2.6
97.02894	25.0
97.06516	4.2
98.21495	2.6
99.04459	9.2
105.01868	31.5
105.07037	8.5
107.08601	100.0
109.02893	23.8
109.06528	2.6
109.10162	3.5
115.03964	2.3
117.01858	3.1
117.03423	2.1
119.08566	3.0
127.03934	48.3
129.01863	3.3
135.11703	84.1
135.12740	4.7
137.13274	3.9
145.04967	29.0
153.12738	6.9
153.40450	2.0
159.02826	12.6
165.12816	2.2
177.62271	2.0
194.42920	2.0
210.16557	2.4
213.04062	2.1
231.04962	10.5
243.13901	3.4
249.06105	4.4
261.14893	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01846	0.5
55.05500	1.8
55.96032	0.5
57.03444	1.0
59.04996	1.5
67.05495	1.7
69.03426	1.9
69.07076	3.2
69.40431	3.5
71.05000	10.6
73.06553	3.2
79.05501	4.3
81.03427	1.0
81.06594	0.9
81.07059	16.1
82.03287	0.5
85.02920	6.1
87.00832	2.2
91.05478	1.6
93.07050	11.6
95.08614	11.9
97.02898	1.9
97.06514	0.9
98.20764	0.8
99.04446	0.9
105.01877	3.8
105.07033	0.7
107.04943	0.5
107.08609	8.0
109.02879	1.3
109.10149	2.1
109.96487	0.5
111.08086	0.6
119.08596	1.3
122.02773	0.5
123.11735	0.7
127.03913	2.7
135.11699	20.3
145.04962	1.1
153.12752	100.0
154.13124	1.0
159.02867	0.7
167.07027	0.8
168.07416	1.0
181.04942	2.4
182.05359	1.7
203.18040	0.8
221.19067	0.6
231.05055	1.0
233.08080	0.6
234.08559	0.9
249.06007	1.1
273.14835	0.5
418.15814	1.6
463.71710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
53.31532	0.7
55.05510	1.5
57.03421	1.1
57.07068	0.9
61.02948	0.7
67.05222	0.7
67.05515	6.6
69.03433	2.1
69.07068	7.7
69.26562	0.6
70.85724	0.9
70.86050	1.4
71.05003	0.9
79.05489	2.0
81.03413	1.7
81.07060	7.2
83.04956	1.1
83.08620	2.7
85.02916	6.3
87.00827	2.4
89.99770	0.6
91.05488	1.8
93.06488	1.3
93.07055	20.0
95.08619	50.1
95.89091	0.6
97.02895	2.5
97.06535	0.7
99.04448	0.9
105.01878	7.4
107.08605	20.4
109.02892	1.8
109.10168	5.0
123.11724	2.4
127.03943	4.2
133.10136	0.8
134.94756	0.6
135.11694	12.8
142.17067	0.7
145.04974	2.4
153.12761	100.0
167.07082	1.1
193.88528	0.7
231.05043	1.6
249.06087	3.4
275.19849	0.7
392.76639	0.7
434.51770	0.6
436.32422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
57.07069	4.8
58.06577	1.3
63.08040	0.5
67.05489	1.3
67.79897	0.6
69.07063	0.8
69.46374	1.3
69.46800	2.7
70.06600	13.3
71.08611	1.8
79.05456	0.9
81.07031	0.6
83.04950	0.8
88.07108	0.9
88.07633	17.8
93.07018	0.8
95.04988	0.5
95.08601	0.8
95.54865	0.6
102.09182	12.4
103.01833	1.7
105.07017	0.7
107.08593	0.9
109.10145	0.7
119.08611	0.8
120.02088	0.8
135.04459	2.9
147.04480	0.6
153.05457	1.3
163.03902	61.7
163.05045	4.0
185.80281	0.6
191.07153	0.6
207.06531	71.5
208.06799	0.9
256.26352	44.6
305.53549	0.6
400.32919	0.6
436.30591	100.0
437.30978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27402	0.9
52.22145	0.7
54.85174	0.8
55.05510	1.9
57.07074	3.6
57.46992	0.8
58.78653	0.9
60.50531	1.0
61.14646	0.7
67.05504	4.3
69.03423	3.1
69.07056	2.4
70.06614	1.0
71.04977	1.3
73.95538	0.9
78.92150	0.7
79.05479	2.3
81.03410	2.4
81.07053	3.9
84.08145	0.8
85.02911	8.3
85.06548	100.0
87.00817	2.9
91.05457	2.7
93.07045	5.3
95.04943	1.0
95.08591	1.7
97.02900	2.7
97.06538	16.4
98.21613	1.7
103.07590	6.3
105.01868	6.9
107.08630	4.6
108.11391	0.8
109.02899	1.4
109.10143	2.3
123.31444	0.8
127.03922	5.1
135.11694	3.9
137.05933	0.8
137.13228	1.0
145.04987	2.2
147.04314	1.1
153.12726	8.9
159.19760	0.8
171.13800	6.4
177.05406	0.8
181.04980	1.5
189.14854	1.6
213.03937	0.8
231.05113	1.1
249.06126	2.0
426.98962	0.8
432.39233	1.0
437.10724	3.0
437.19470	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.05504	3.2
55.82845	1.2
67.05511	6.7
68.79208	1.5
69.03423	3.9
69.07083	7.3
70.05041	6.1
71.04995	1.3
79.05476	4.7
81.03400	2.5
81.07050	7.4
83.08607	3.5
85.02921	8.6
85.31929	1.2
87.00828	4.3
91.05471	3.7
93.07055	26.8
95.04984	1.6
95.08614	59.2
97.02894	6.0
97.06567	1.9
98.52805	1.3
105.01857	5.5
105.07081	1.9
106.84864	1.3
107.08611	26.3
109.02886	4.1
109.10136	4.9
119.08582	2.4
121.06505	2.6
123.11715	2.1
127.03922	5.6
128.06215	1.3
131.08603	1.5
133.10139	1.8
135.11707	20.6
137.05972	1.5
145.04939	1.5
153.12752	100.0
156.09337	1.5
157.10110	3.9
167.07092	1.4
171.11668	1.9
171.13786	1.6
181.04956	2.4
197.40266	1.3
199.14816	4.3
257.19009	8.0
275.19977	2.4
461.24283	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.3
53.58892	0.3
56.05011	0.3
60.39489	0.3
62.06059	0.3
67.05487	0.5
69.03389	0.8
70.06594	0.4
70.16399	0.5
71.04950	1.0
72.04473	0.4
72.08124	0.3
74.06039	0.9
79.05464	0.9
81.07021	0.4
83.04951	0.3
83.40830	0.3
84.08106	0.3
85.02915	1.3
86.09690	0.3
89.06039	5.1
91.05488	0.5
93.07039	0.6
95.04950	0.4
95.08596	0.5
97.02852	1.1
105.07024	1.2
106.02915	0.2
106.06459	0.3
107.04932	0.8
107.08539	0.6
109.02826	0.7
119.08548	0.7
120.08076	1.1
121.06469	0.8
124.07581	0.3
127.03895	0.7
131.04910	0.5
134.09660	0.5
135.06482	1.0
136.07559	0.5
137.05949	0.9
139.07556	0.3
141.09094	0.5
145.04918	0.7
146.09627	0.8
148.07538	0.3
150.06412	0.2
150.09206	0.3
152.07062	0.4
163.03925	0.3
164.07063	1.4
164.10724	9.3
165.07814	1.3
165.11458	0.3
166.08687	0.5
166.12213	0.3
167.07091	0.4
180.99649	0.2
182.11652	0.3
192.10234	1.4
194.08707	0.2
195.11644	0.3
208.09671	0.8
210.11266	100.0
211.11545	0.9
229.13426	0.3
261.09827	0.5
304.17490	0.3
372.98132	0.3
373.21356	0.8
386.57425	0.3
391.22510	1.2
403.65137	0.3
419.21878	2.0
437.22888	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	437.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
54.18121	0.9
55.05513	11.8
57.07080	6.2
64.88987	0.9
67.05511	17.7
68.87050	1.0
69.07067	19.2
69.14735	4.7
69.15168	4.4
71.08633	1.1
79.05484	12.6
81.07059	34.6
83.04996	2.6
83.08617	10.3
91.05489	13.8
93.07045	29.7
95.08611	56.9
97.06497	1.3
97.10168	3.9
99.31181	0.9
102.36802	1.0
103.05470	1.2
105.07034	41.7
107.08598	47.6
109.06515	2.5
109.10165	26.7
111.08071	1.4
111.11716	1.2
117.07022	5.9
117.57927	0.8
119.08587	62.0
121.10149	40.9
122.07970	0.9
123.08079	1.4
123.11717	16.7
125.06013	1.4
129.07010	2.7
131.08566	17.9
133.10136	45.4
135.08043	1.6
135.11690	26.3
137.05942	5.5
137.13231	4.8
139.07567	1.8
143.08553	6.5
144.09358	2.1
145.10129	34.3
146.10866	1.2
147.11693	37.7
149.09653	1.8
149.13264	15.6
151.07542	2.6
151.14838	2.0
153.09105	4.5
155.08549	1.6
157.10153	5.8
158.10889	2.8
159.07993	0.9
159.11694	31.2
160.12338	1.3
161.09660	1.6
161.13257	22.7
163.07544	2.2
163.14868	9.1
165.09105	2.0
167.10652	1.9
169.10135	2.6
171.11703	7.1
172.12442	1.8
173.13274	11.7
174.13972	1.2
175.11205	1.2
175.14822	25.2
177.09171	2.3
177.12831	1.0
177.16380	15.7
179.10724	1.2
183.11671	3.0
185.13292	5.1
186.13976	1.0
187.11299	1.3
187.14812	12.6
189.16391	50.9
191.17986	13.9
193.12358	1.5
197.13293	3.4
199.14833	4.2
201.16389	52.8
202.16734	1.1
203.17960	50.4
205.19493	2.4
207.17418	2.3
211.14873	3.2
212.15569	1.3
213.16403	6.1
215.14510	1.2
215.17972	20.2
217.19586	5.2
221.15446	2.3
225.16396	3.1
227.17944	3.7
229.16019	1.7
229.19586	6.3
233.15355	3.0
235.16965	4.0
239.17995	2.7
241.19579	3.5
243.21135	5.2
247.16908	11.5
249.18459	2.5
251.18018	1.3
253.19481	1.9
255.21143	4.9
257.22427	1.0
261.18488	9.7
263.19867	1.1
267.21030	1.7
269.22705	3.3
273.18466	1.1
281.22711	1.3
285.18494	1.5
287.11838	0.9
287.20203	2.3
289.21609	1.7
295.24213	3.9
299.20056	2.1
301.21683	2.9
307.13324	1.0
313.21725	1.4
315.23068	1.7
321.25677	1.2
327.23294	1.3
334.15652	1.0
335.27136	1.9
339.23111	1.1
353.24744	1.1
355.26340	1.3
381.27722	1.8
391.33661	16.7
394.28641	3.3
401.34085	4.1
406.27191	1.1
409.34821	1.0
419.35266	14.1
437.34201	100.0
438.34665	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	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.6
57.07077	4.0
57.37702	1.8
65.03934	1.9
67.05510	17.7
69.07067	17.6
70.68066	2.9
70.97393	1.6
71.08644	1.8
79.05498	9.2
81.07065	39.0
83.08633	9.0
91.05478	14.6
93.07053	25.0
95.08615	61.7
97.10188	3.2
105.07034	35.8
105.07699	2.6
107.08603	37.2
109.10159	30.2
117.07041	4.6
119.08591	61.9
121.10162	25.6
123.11709	12.5
129.06998	3.7
131.08565	16.7
133.10132	42.8
135.11707	22.4
137.13264	5.6
139.07588	2.1
143.08563	5.2
145.10129	38.6
146.10951	1.8
147.11690	36.4
149.13271	10.9
151.14848	4.8
153.09129	3.9
155.08585	2.2
157.10136	7.0
159.11713	25.9
160.12396	1.7
161.13289	20.6
163.07617	3.1
163.14851	8.7
169.10179	4.9
171.11748	10.3
173.13264	15.0
175.14844	28.6
175.16298	2.7
177.09151	5.3
177.16440	11.2
183.11679	3.4
185.13289	4.9
187.14844	12.6
189.16393	48.2
191.18015	11.6
197.13295	3.2
199.14853	6.5
201.16396	48.9
203.17966	55.4
205.19519	2.3
211.14799	3.0
213.16374	10.5
215.17967	19.7
217.19600	6.4
221.15424	2.7
225.16426	2.3
227.18002	2.9
229.15964	2.3
229.19524	5.8
233.15419	2.3
235.16975	4.7
239.18028	4.7
241.19543	9.6
243.21027	8.0
247.16963	19.0
253.19559	4.0
255.21141	3.0
259.17059	3.2
261.18536	3.0
273.18524	2.9
285.18567	4.9
287.20068	3.3
295.24304	4.0
299.19980	3.4
313.21729	2.0
335.27359	2.0
387.08578	1.6
391.33640	17.5
416.53702	1.8
437.34186	100.0
438.34515	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30727	2.7
51.33503	2.2
55.05508	7.5
67.05505	13.5
69.07072	18.4
69.15022	26.2
76.73673	2.8
77.75375	2.6
79.05506	10.8
81.07062	33.5
83.08627	7.5
91.05484	13.3
93.07049	28.1
95.08611	37.8
97.10194	6.1
98.21627	3.9
105.07035	24.2
107.08595	45.0
109.10152	22.4
109.41550	2.5
117.07018	8.3
119.08596	35.1
121.10179	26.0
123.11722	9.0
129.07024	6.0
131.08566	21.0
131.16565	2.3
133.10139	19.5
135.11684	22.4
137.13272	5.2
138.29541	2.3
141.57614	2.7
143.08545	12.5
145.10129	28.9
147.11702	22.4
149.13251	22.9
155.08566	3.5
156.09416	3.2
157.10120	13.6
159.11699	21.8
161.13223	16.1
163.14813	28.0
166.06395	2.7
169.10086	5.5
171.11679	16.4
173.13309	23.6
175.14861	16.5
177.16434	3.0
183.11710	7.1
185.13293	11.1
187.14830	26.8
189.16374	27.9
191.17909	15.0
197.13286	5.0
199.14841	9.4
201.16451	11.1
203.18001	9.5
211.14861	7.3
213.16403	14.0
215.18018	26.9
217.19560	5.7
225.16455	5.2
227.17911	17.8
229.19565	10.9
239.15857	2.6
239.17967	20.2
241.19482	26.1
243.21199	9.9
247.16943	5.8
253.19554	9.4
255.21147	10.1
267.21042	5.0
269.22711	2.9
281.22684	6.7
293.22711	5.4
307.24115	3.6
362.29651	2.8
377.32068	62.4
377.36832	3.1
395.33221	2.8
437.20416	4.0
437.34229	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	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75527	2.9
55.05516	16.4
57.03444	3.8
65.87640	3.3
66.82571	3.1
67.05506	36.9
69.07070	24.8
71.52331	4.1
79.05486	23.0
79.76218	3.4
81.03403	3.1
81.07058	51.6
83.04903	2.8
83.08617	9.1
91.05481	24.3
92.88183	2.8
93.07040	40.9
95.04991	5.2
95.08601	61.2
97.06519	3.8
97.10152	4.1
105.07016	42.8
107.08598	49.3
109.10168	50.1
111.11724	3.5
117.07010	9.8
119.06081	2.8
119.08579	53.0
119.12799	3.4
121.10152	35.6
123.11752	20.1
123.74267	3.4
129.06926	4.3
131.08571	21.6
131.91801	2.8
133.10141	40.8
135.08057	5.4
135.11697	23.9
137.05963	10.3
137.13275	6.2
143.08556	7.2
145.10126	35.9
147.11702	31.9
149.13249	14.4
155.08597	4.2
157.10127	11.7
159.11694	29.7
161.13287	21.4
163.11237	3.5
163.14839	13.5
169.10071	4.3
171.11681	8.8
173.09604	3.5
173.13246	21.8
175.11058	3.3
175.14795	16.1
177.16402	19.5
183.11797	6.1
185.13252	11.6
187.13240	2.7
187.14751	18.3
189.16397	62.7
191.17961	6.4
193.49127	2.8
197.13336	5.6
199.14809	4.6
201.16406	29.7
203.17947	39.7
205.19623	4.1
211.14818	4.9
213.16327	10.2
215.17964	23.2
225.16394	3.9
227.17957	9.2
229.19531	7.3
234.85136	3.6
239.17947	6.6
241.19583	4.8
243.21181	4.9
247.16884	7.1
253.19398	4.2
255.21034	3.5
275.20013	6.8
285.18600	3.6
295.24152	8.3
299.19983	4.1
367.26373	3.3
391.33682	26.3
437.25079	11.1
437.34314	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	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28104	0.8
53.03942	1.5
55.05512	7.9
57.07073	4.9
65.03937	1.2
67.05507	16.4
69.07069	16.7
71.08634	1.0
79.05482	6.8
81.07059	44.9
83.08631	6.4
84.71217	0.7
91.05482	6.1
91.30302	0.8
93.07049	15.9
95.04950	0.9
95.08609	74.9
95.14895	0.8
97.10168	3.2
105.07033	19.9
105.07697	1.3
106.07377	0.7
107.08600	25.3
109.10159	28.6
117.07030	3.2
119.08585	34.0
121.10149	19.1
123.11703	14.8
129.07043	1.9
131.08580	9.1
133.10132	18.3
135.11705	12.7
137.13254	14.0
141.07069	0.8
142.07779	1.2
143.08566	6.1
145.10132	28.8
147.11697	15.0
149.13271	14.8
151.14836	9.7
155.08559	2.1
156.09389	1.3
157.10132	8.4
159.11684	13.8
159.12892	1.2
161.09599	1.0
161.13249	10.5
163.07544	0.9
163.14818	13.0
169.10112	4.1
171.11688	12.9
173.11806	1.3
173.13261	16.3
175.14830	24.6
175.16286	1.4
177.16373	7.2
178.85858	0.8
179.17990	2.4
183.11702	5.4
184.12703	1.0
185.13266	6.9
187.14841	8.4
189.16377	16.5
191.17961	10.7
193.15880	1.0
193.71048	0.8
195.11707	0.8
197.13252	4.2
198.14082	1.0
199.14807	7.4
201.16394	23.4
201.18279	1.3
203.10777	1.1
203.17970	14.8
205.19547	0.8
207.13896	1.0
209.13290	1.4
211.14856	3.0
212.15820	1.1
213.16359	9.1
215.17941	9.7
217.12347	1.3
217.19592	4.3
219.13795	1.3
219.17281	0.9
221.15387	2.1
223.14781	1.8
225.16371	4.1
227.18002	4.9
229.19510	4.6
231.17494	1.4
235.17029	1.2
237.16429	2.2
239.17952	11.4
241.19511	24.5
243.21046	7.8
245.15463	2.8
247.16933	4.4
253.19472	4.8
255.21074	4.6
259.16965	3.5
259.20663	4.2
261.18433	2.1
265.19489	2.4
267.21066	5.7
269.22681	1.5
271.17154	1.6
273.18555	3.6
275.20016	1.0
279.21078	1.3
281.22751	2.6
285.18500	12.8
287.20053	7.1
293.22665	1.5
295.24118	4.2
299.20135	7.4
301.21689	1.6
307.24277	2.1
313.21692	5.0
321.25772	2.5
325.21747	1.1
335.27307	6.2
339.23190	1.2
349.28894	1.7
353.24863	2.6
367.26398	1.7
381.27896	1.8
391.33609	25.1
394.28439	1.0
395.29636	0.9
419.33264	1.5
437.34219	100.0
438.34869	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	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36821	1.0
53.03951	1.5
55.05504	5.6
57.07072	1.7
67.05511	8.1
69.07069	10.0
70.77311	1.9
71.00576	0.9
72.02432	0.9
79.05495	6.0
81.07059	19.5
83.04981	0.9
83.08633	4.8
91.05470	7.7
93.07039	15.9
95.08612	38.8
97.10163	2.6
103.17996	0.9
105.07033	24.4
107.08592	27.1
107.70399	1.2
109.10154	15.6
117.07013	5.7
119.08582	45.2
121.09330	2.1
121.10149	25.2
123.11701	7.7
128.06236	1.1
130.07799	1.1
131.08557	10.0
133.10124	37.5
135.11687	17.8
137.13254	3.7
143.08574	4.2
144.09380	1.6
145.10129	28.1
147.11682	27.3
149.13266	8.4
153.09081	1.6
157.10107	3.6
158.10928	3.0
159.11696	33.1
160.12370	1.8
161.13261	17.2
163.14839	6.4
171.11732	4.1
173.13261	14.2
175.14841	15.2
177.16388	17.8
185.13292	3.3
187.14809	13.7
189.16382	100.0
191.17950	7.0
193.15871	1.1
199.14758	5.3
201.16377	49.2
203.17957	48.2
207.17436	1.1
213.16368	9.7
215.17935	20.8
217.19559	2.9
221.19061	1.5
223.16962	1.4
225.16524	1.5
227.17987	3.3
229.19576	4.1
231.17461	1.4
235.16998	3.5
239.18028	1.4
241.19534	4.4
243.21121	3.6
247.17024	5.6
249.18550	4.2
259.16977	3.3
261.18451	3.2
267.21158	1.3
273.18512	1.3
278.06949	1.1
285.18600	1.7
299.20224	1.4
346.87091	1.1
349.28885	1.2
391.33630	11.8
395.29654	2.4
402.70261	1.0
409.34470	1.9
437.34186	89.6
438.34451	1.8
445.53198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.8
53.57959	0.8
55.05515	6.2
57.07076	2.9
67.05506	7.2
69.07074	7.7
70.67564	2.3
79.05497	5.6
81.07061	14.5
83.08637	4.8
91.05474	7.3
93.07056	12.6
95.05008	1.1
95.08614	32.4
97.10178	1.7
105.07042	21.8
107.08600	26.8
109.06532	0.9
109.10159	15.5
117.07053	2.7
119.08592	40.9
121.10157	21.8
123.11726	6.9
129.07033	1.9
131.08572	10.7
133.10139	34.1
135.11691	11.4
137.13289	2.0
139.07549	1.2
143.08551	3.6
144.09401	1.9
145.10136	27.9
147.11691	27.2
149.13261	6.7
153.09085	4.5
155.08569	1.3
157.10181	4.1
159.11700	25.8
161.13269	20.7
163.07547	0.9
163.14842	4.8
167.10689	2.4
171.11731	3.3
173.13287	11.4
174.14021	1.9
175.14825	12.5
177.09238	1.2
177.16386	16.4
179.10695	1.1
183.11719	1.4
185.13283	5.5
186.14050	1.3
187.14832	19.7
189.16396	100.0
190.16751	1.4
191.17984	6.0
193.12250	1.4
199.14809	5.7
201.16386	30.4
203.17978	45.6
205.19565	6.5
207.17438	1.7
213.16422	4.1
215.17967	14.4
217.19543	2.3
221.19029	2.3
223.16969	1.6
225.16429	2.1
227.17978	1.8
229.15598	1.2
229.19478	1.9
231.17529	1.7
235.16969	1.7
239.18010	1.6
243.21085	2.1
247.16928	7.5
249.18530	8.6
253.19637	1.0
255.20949	1.2
261.18518	4.6
295.24194	2.9
349.28989	5.0
391.33585	10.9
395.29422	7.7
409.35184	1.3
419.32996	1.2
437.34201	75.3
438.34732	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	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05519	7.8
57.07083	6.2
65.03900	1.1
67.05507	14.7
67.66972	0.9
69.06726	1.3
69.07070	15.3
69.61520	1.7
69.61905	2.6
70.26097	0.9
71.08643	1.6
79.05490	7.5
81.07057	42.0
83.08607	6.2
91.05472	7.7
93.07048	14.4
95.08611	73.8
97.10172	3.6
105.07031	20.1
107.07877	1.6
107.08596	27.1
109.10165	29.9
109.10940	1.4
111.11712	1.0
117.07015	3.4
119.08586	35.0
121.09360	0.6
121.10148	18.8
123.11710	17.1
129.07014	2.3
131.08580	11.1
133.10156	16.8
135.11697	10.4
137.05905	0.8
137.13263	11.1
142.07727	1.0
143.08575	5.5
145.10132	30.3
147.11696	12.8
149.13252	11.6
151.14818	9.2
153.09132	1.4
155.08585	2.8
157.10158	6.7
159.11699	11.8
161.13268	11.2
163.07568	1.3
163.14825	9.8
169.10161	4.1
171.11707	12.7
173.13263	14.3
173.86858	0.9
175.14825	22.3
175.16296	1.2
177.09132	1.5
177.16380	8.7
179.17900	1.6
181.10149	1.1
183.11691	3.5
184.12560	0.9
185.13220	6.2
187.14798	7.7
189.16376	14.8
191.17957	11.2
193.15816	1.1
197.13239	3.3
199.14825	5.6
201.16383	20.1
203.17960	16.1
205.19510	1.3
209.13254	0.9
209.15228	0.8
211.14850	3.8
212.15578	0.8
213.16370	10.2
215.17979	9.8
217.12286	1.9
217.19531	6.0
221.15422	2.8
225.16455	4.0
227.17931	4.9
229.19498	5.3
231.13948	0.8
231.17436	1.6
235.16917	1.5
237.16351	1.8
239.17947	8.4
241.19499	22.7
243.21060	7.8
245.15388	2.4
247.16946	5.7
249.18663	0.8
253.19466	5.5
255.20982	4.9
257.15427	1.5
259.16971	6.0
259.20645	2.6
261.18442	1.3
265.19592	1.3
267.21130	3.8
269.22668	1.6
271.16986	2.2
273.18518	2.4
279.21188	1.4
281.22647	2.4
285.18491	14.6
287.20126	4.6
293.22687	1.2
295.24149	4.3
297.97131	0.8
299.20184	6.5
301.21667	1.6
307.24310	2.1
313.21658	4.5
315.23325	1.4
321.25894	1.9
327.23257	1.7
335.27411	4.4
339.45547	0.9
349.28897	1.7
353.24847	2.8
367.26404	1.4
377.30106	0.9
381.27972	1.9
391.33615	22.5
409.34033	1.0
419.33224	1.2
437.34167	100.0
438.34521	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	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05508	13.6
57.07080	7.3
65.03941	1.9
67.05145	1.2
67.05508	25.0
69.07067	16.1
69.42728	10.4
72.76250	1.2
73.88576	1.1
76.18545	1.3
79.05502	14.8
81.07058	53.6
81.07536	2.9
81.63020	1.3
82.75343	1.3
83.08612	9.3
91.05460	15.1
93.07047	30.2
93.07903	1.3
95.05022	1.7
95.08611	81.5
97.06549	2.6
97.10185	10.4
105.07034	28.1
107.08599	48.1
107.09312	2.5
109.06526	3.0
109.10159	39.1
111.08074	1.6
111.11748	2.3
117.07042	5.6
119.08587	100.0
120.08981	1.2
121.10146	38.1
123.08072	1.6
123.11707	19.8
125.06008	2.6
129.06955	1.3
131.08572	16.3
131.09558	1.8
133.10141	35.1
135.11693	28.0
137.05992	1.9
137.09651	1.8
137.13263	35.2
139.07590	2.0
142.30508	1.3
143.08618	4.3
145.10123	39.6
147.11684	23.1
149.05917	1.6
149.09691	1.4
149.13268	16.8
151.07582	5.7
151.14839	2.5
153.09135	2.7
156.09320	1.8
157.10130	7.9
159.08093	2.7
159.11702	31.9
160.12277	1.5
161.13269	17.9
163.07536	13.3
163.11255	1.4
163.14798	6.7
165.09215	2.1
169.10118	1.8
171.11684	6.2
173.09540	2.2
173.13280	16.5
175.11240	1.6
175.14821	10.8
177.09216	3.0
177.16408	6.9
179.10689	2.6
181.12137	1.2
183.11707	2.6
185.13316	5.4
187.11189	2.3
187.14841	15.1
189.09012	1.5
189.16399	17.3
191.10724	2.5
191.17958	76.5
193.05014	2.8
196.81042	1.3
197.13391	1.7
199.14734	6.3
201.16386	50.6
203.17950	31.4
203.19751	1.8
205.16093	1.4
205.19492	7.5
211.14903	1.8
213.16380	7.7
215.10796	1.5
215.17987	6.7
217.19591	5.4
219.17482	3.6
225.16498	2.4
227.17995	3.1
229.15909	10.1
229.19533	2.8
231.21143	1.9
233.15401	2.8
239.17957	2.8
240.42316	1.5
241.19568	3.6
243.21164	3.3
245.22621	1.6
247.16959	19.1
253.19551	3.2
257.22702	1.9
259.16977	3.4
261.18454	2.0
265.73868	1.4
267.21155	2.5
273.18509	2.0
281.22662	1.7
285.18451	3.0
287.20200	1.6
295.24203	3.0
299.20023	2.1
391.33435	12.6
393.35217	8.4
437.34253	81.1
438.34814	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	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.7
57.07077	5.6
65.03955	1.6
67.05507	14.7
69.07072	17.8
69.24262	5.1
69.24684	6.2
71.08618	1.6
79.05502	8.8
81.07066	36.9
82.65840	1.1
83.08623	7.6
84.97714	1.2
89.06079	1.4
89.76202	1.1
91.05497	8.7
93.07054	20.7
95.08615	68.3
97.10172	3.6
99.00815	1.3
105.07047	30.7
107.08600	30.7
109.10163	29.5
117.07012	4.0
119.08591	49.1
121.09340	1.6
121.10162	22.4
123.11713	12.4
129.07031	2.3
130.07800	1.2
131.08575	12.5
133.10141	32.8
135.11711	8.9
137.13277	8.7
143.08524	6.3
144.09297	1.2
145.10132	35.7
147.11710	23.0
149.13251	10.5
151.14809	6.6
155.07224	1.6
155.08597	3.2
157.10170	7.8
158.10941	1.6
159.11696	18.4
160.12456	1.8
161.13283	16.7
163.07613	2.1
163.14835	9.7
169.10120	3.0
171.11647	10.4
173.13251	12.2
175.14848	20.8
177.09135	4.4
177.16383	6.2
179.10631	1.6
179.17900	1.4
183.11671	6.0
185.13246	4.7
187.14853	9.4
189.16414	25.0
191.17946	14.7
195.11765	1.5
195.57985	1.3
197.13217	3.7
199.14850	6.6
201.16396	31.3
203.17982	39.9
211.14799	4.3
213.16373	7.8
215.17979	9.5
217.12167	1.6
217.19572	4.6
221.15497	2.0
225.16451	3.5
227.18036	2.8
229.16026	1.7
229.19516	4.0
231.17439	1.6
233.15491	2.7
237.16351	1.3
239.14926	1.2
239.17975	8.8
241.19472	11.5
243.21109	10.5
245.15382	2.5
247.16939	18.1
253.19545	4.8
255.21057	6.3
259.17050	2.7
267.21155	4.5
269.22855	1.5
281.22516	2.3
285.18460	7.3
287.20129	5.4
295.24191	3.1
299.20047	3.5
301.21762	2.5
313.21658	3.3
321.25854	1.6
335.27356	2.2
391.33530	18.4
437.34198	100.0
438.34506	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	437.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.05510	11.3
57.07070	4.4
65.03923	1.4
65.32199	1.1
67.05507	27.8
69.03432	3.0
69.07067	20.6
71.05011	1.7
79.05489	12.8
81.03425	4.2
81.06596	2.0
81.07062	37.8
83.04984	4.1
83.08620	9.1
85.02911	3.5
91.05474	13.0
93.07048	26.1
93.07635	1.4
93.88773	1.2
95.04967	3.0
95.08611	46.6
97.06521	1.7
97.10146	3.6
99.04437	1.6
105.07032	31.0
105.07701	2.3
107.08604	41.0
109.02876	2.3
109.06506	1.6
109.10164	40.7
111.08076	1.6
111.11707	2.8
117.07020	4.7
119.08587	47.3
121.06568	1.2
121.10151	26.2
123.08084	1.8
123.11711	9.7
123.33279	1.4
127.03921	2.0
128.06285	1.7
129.06981	3.3
131.08575	18.2
133.10139	28.3
135.04366	1.3
135.11700	15.7
137.13243	4.0
143.08546	6.6
144.09334	2.6
145.10114	29.0
145.11157	2.0
147.08063	5.2
147.11691	26.0
149.09642	2.0
149.13258	13.5
151.07538	4.2
151.14682	1.1
153.09138	2.7
155.08611	2.7
157.10132	5.9
158.10835	1.3
159.08043	1.7
159.11711	32.7
159.13036	1.9
161.13264	15.4
163.11195	2.3
163.14816	8.5
169.10150	3.9
171.11710	6.4
173.11800	2.3
173.13226	17.5
175.14838	20.5
177.09138	1.6
177.16370	15.4
181.10068	1.4
183.11717	3.8
185.13284	6.2
187.14841	10.5
189.12773	2.5
189.16393	43.4
191.17984	7.2
197.13306	2.6
199.14819	7.7
201.16393	32.4
203.17973	29.7
203.19775	2.0
211.14847	3.9
213.16298	6.9
215.17946	34.0
217.19601	5.0
221.15556	2.3
223.14861	1.7
225.16457	4.9
227.18005	5.8
227.30510	1.2
229.19464	10.0
231.17561	1.8
231.21504	1.2
235.17001	3.0
237.16353	2.2
239.17993	4.6
241.19551	4.4
243.21198	4.5
247.17038	3.4
249.18497	3.3
253.19585	4.6
255.21146	3.9
259.17075	2.5
261.18527	3.3
265.19620	2.2
267.21133	2.9
269.22672	2.0
273.18573	2.1
275.20135	3.5
279.21240	2.3
281.22607	2.9
285.18588	4.1
287.20004	1.4
295.24207	3.5
299.19937	1.7
307.24350	2.1
311.12927	1.5
313.21667	1.8
321.25912	1.4
325.21786	2.9
327.23257	3.4
335.27316	1.7
341.25034	1.6
343.26205	1.9
349.28860	1.5
357.13467	1.9
381.27975	1.9
391.33591	27.9
409.34885	2.1
419.33417	3.3
437.25497	8.5
437.34222	100.0
438.34436	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	438.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.4
55.01871	2.8
55.05505	4.5
57.03438	6.0
57.07084	3.4
58.47724	1.6
61.02932	2.2
67.05503	13.2
69.03432	19.5
69.07079	10.5
69.42182	12.6
69.93520	1.7
70.81644	1.6
71.04979	2.8
73.02927	5.0
79.05502	7.9
81.03408	12.6
81.07059	100.0
83.08623	4.1
85.02907	40.0
85.06570	3.2
87.00829	17.7
93.07053	4.2
95.08608	31.0
97.02895	21.4
99.04465	5.8
99.08118	4.9
105.01871	34.6
105.07045	3.4
107.08585	6.5
109.02863	10.9
109.10179	10.4
111.11790	1.7
111.78177	2.2
115.03941	7.3
121.10156	3.5
127.03914	25.9
129.01805	2.8
133.05014	4.1
133.10143	18.1
137.09633	7.6
137.13271	31.6
145.04994	14.9
147.03056	1.9
149.13278	5.1
155.14293	13.9
157.10182	2.6
159.02922	4.1
161.04460	3.9
161.13168	2.5
171.20711	2.0
185.13235	2.3
189.04034	2.6
190.30281	1.7
191.14337	8.3
219.05008	2.1
227.14238	2.2
231.04994	10.1
245.15326	3.5
249.06238	8.7
263.16586	3.9
306.27182	2.0
349.16553	3.6
355.22015	1.8
367.17575	2.0
438.60760	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	438.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01870	8.0
55.05508	9.5
57.03429	7.4
57.07072	2.2
59.05022	3.0
61.02932	4.4
67.05509	10.8
68.99796	3.0
69.03429	29.5
69.07064	20.7
69.42159	16.9
71.05003	4.1
73.02905	8.7
79.05482	9.3
81.03413	22.4
81.07054	100.0
83.04967	3.8
83.08611	9.9
85.02905	68.7
85.06535	8.1
87.00825	31.8
87.04476	2.7
91.05462	7.4
93.07045	10.1
95.04976	5.7
95.08611	35.1
97.02895	29.0
97.06521	3.9
99.04470	10.4
99.08067	8.0
105.01859	38.3
105.07030	10.9
107.04995	2.5
107.08605	16.9
109.02869	19.2
109.10158	11.2
111.11699	4.7
113.59671	2.0
115.03927	19.1
117.07043	2.7
119.08598	8.2
121.06500	3.2
121.10135	13.1
122.07249	3.9
123.11712	4.6
125.02361	2.7
127.03921	43.5
129.01872	3.7
129.06989	4.3
131.08502	6.2
133.04956	3.3
133.10132	61.5
135.08057	4.7
135.11702	3.1
137.09630	29.9
137.13248	35.9
143.08560	4.6
145.04980	19.2
145.10094	3.1
147.11723	6.3
149.09607	5.1
149.13264	13.3
151.07533	2.8
155.14281	12.5
159.02898	10.5
159.11714	3.3
161.04469	10.0
161.13261	3.9
163.14890	3.3
165.12811	4.5
167.14290	2.5
172.65929	2.3
173.13228	5.4
177.12732	4.0
179.14333	4.2
185.13222	3.2
189.12822	3.0
190.17319	2.3
191.14317	30.5
203.14331	3.7
219.05124	5.0
224.88585	2.5
227.14291	4.4
231.04970	11.6
245.15355	13.5
247.04411	2.9
249.05937	3.5
263.16571	10.8
265.05533	2.2
281.17542	3.3
349.16437	8.3
362.11966	2.4
367.17572	9.2
385.07751	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60613	0.8
53.03952	1.3
53.82482	0.8
55.01869	1.8
55.05503	2.5
56.64746	0.8
57.03439	2.8
57.07069	1.1
59.05000	2.1
67.05495	2.1
68.99780	0.9
69.03434	8.2
69.07067	7.9
71.04990	13.2
71.52744	1.3
73.02911	1.7
79.05502	1.8
81.03424	6.7
81.07059	24.5
83.08617	2.4
85.02907	21.0
85.06531	1.4
87.00835	7.8
89.47325	0.9
91.05502	1.4
93.07044	1.8
95.08612	14.4
97.02895	7.0
97.10193	2.0
99.04488	4.6
99.08084	1.7
105.01878	8.7
105.07029	2.2
107.08669	1.5
109.02882	5.8
109.10152	2.5
121.10089	1.1
127.03920	12.3
133.10188	1.0
137.13261	21.1
145.04936	4.4
147.11676	1.0
155.14311	85.2
156.14583	1.1
159.02899	2.7
167.07112	1.2
173.15385	100.0
191.14369	1.0
203.05339	1.0
213.03784	1.0
231.04985	2.6
276.15997	3.7
276.20688	1.1
285.12946	1.1
367.77844	0.9
438.22009	2.0
439.23221	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	438.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
53.79036	0.4
55.01872	1.7
55.05511	0.8
57.03436	1.0
57.07081	0.5
59.04993	0.8
59.11990	0.4
59.47173	0.4
61.02938	0.9
66.94057	0.4
67.05515	0.5
68.99796	0.6
69.03433	7.3
69.07070	4.9
70.73572	0.8
71.04980	1.2
71.08638	44.8
73.02930	1.9
78.35016	0.4
81.03425	5.7
81.07048	1.1
83.08606	0.5
85.02911	14.5
85.06561	0.5
87.00841	7.0
91.03984	0.5
95.08608	0.7
97.02902	8.9
99.04486	2.5
99.08100	100.0
100.08428	0.7
105.01868	6.1
108.25629	0.4
109.02888	5.1
115.03958	1.0
117.01856	0.9
123.29576	0.4
127.02989	0.5
127.03925	10.3
129.01871	1.0
129.12770	12.3
145.04976	5.5
147.02876	0.4
155.14333	3.2
159.02892	3.1
161.04474	0.5
163.76787	0.4
173.15387	72.3
174.50385	0.3
175.07515	0.5
231.05061	1.9
274.05972	0.4
276.20526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1578
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
55.05507	0.9
57.07065	0.7
64.39458	0.5
67.05501	1.8
69.03425	3.3
69.07072	2.5
71.04977	0.5
79.05506	1.0
81.03417	1.8
81.07058	9.9
83.08588	0.4
85.02911	4.7
85.06546	3.5
87.00827	1.0
91.05476	1.0
93.07031	0.8
95.08614	7.0
96.77673	0.4
97.02905	2.0
97.06517	0.5
99.04473	0.8
99.08089	3.0
105.01855	1.1
105.07047	0.8
107.04920	0.9
107.08626	1.1
108.05299	0.4
109.02908	2.2
109.10165	0.8
119.08602	1.1
121.10138	1.1
127.03890	2.9
131.08536	0.8
132.83408	0.5
133.10100	1.3
135.08055	0.7
137.05948	0.7
137.13277	4.0
145.04991	0.9
147.04428	1.0
147.11734	0.7
149.09645	0.6
155.14337	2.6
164.07173	0.5
173.13263	1.8
173.15430	0.8
175.14894	0.6
191.14325	3.5
191.16431	6.6
213.07640	0.5
259.20529	0.7
297.05768	0.5
304.16788	0.4
307.11392	2.0
439.15753	100.0
440.16016	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01867	2.8
55.05513	2.2
57.07074	6.4
57.85307	1.4
60.25976	1.8
61.02911	1.6
66.38676	1.6
67.05511	7.4
69.03440	11.8
69.07076	21.7
69.85255	6.1
69.85675	2.5
71.04991	5.1
79.05472	2.5
81.03412	7.2
81.07063	73.6
82.08782	1.4
83.08626	4.5
85.02914	21.0
85.06545	25.7
87.00839	9.7
93.07046	2.6
95.08070	2.5
95.08617	32.7
97.02908	8.1
97.10154	2.5
98.20854	3.2
99.04450	2.7
99.08087	19.8
103.01428	1.5
105.01888	9.2
105.07043	2.5
109.02898	6.0
109.10152	4.5
111.04403	1.9
111.11720	4.4
119.08540	1.9
121.02851	6.9
121.43213	1.6
127.03928	13.9
131.08536	1.8
133.10176	1.7
137.13252	27.5
143.14301	4.5
145.04977	3.1
152.65227	1.5
155.14313	83.2
159.02873	3.6
173.15392	100.0
175.14830	9.5
184.27586	1.6
191.14456	1.7
191.16417	11.3
213.04091	1.9
231.04967	3.1
401.68430	1.6
403.20099	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01881	2.1
55.05512	6.1
57.03437	3.4
57.07076	8.7
67.05514	11.3
68.79251	1.3
68.99755	1.6
69.03426	8.9
69.07072	23.6
70.46788	2.7
71.04996	5.4
71.08655	1.6
73.02927	1.9
79.05489	5.8
79.63719	1.6
81.03429	9.3
81.07064	86.9
83.08611	4.1
85.02917	24.1
85.06549	32.4
87.00835	10.7
93.07041	2.0
95.04974	1.7
95.08614	42.9
97.02908	12.0
97.10184	1.6
99.04465	2.6
99.08101	23.3
105.01883	10.0
105.07063	1.9
107.04947	3.0
107.08586	2.1
109.02866	8.3
109.10155	4.1
111.11728	4.7
112.39159	1.3
117.01841	1.7
119.08528	1.5
121.02892	5.0
121.10193	1.4
125.13287	2.5
127.03926	12.5
127.95797	1.3
137.13271	37.8
139.03951	1.9
141.13934	1.3
143.14336	5.0
145.04964	4.6
147.11664	1.3
155.14317	90.7
159.02879	2.0
173.15392	100.0
175.14850	7.2
191.14557	2.0
191.16434	13.8
231.05074	1.5
357.58945	1.5
439.20129	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81841	2.6
55.05512	12.8
57.03433	3.5
65.70674	2.5
67.05511	41.3
69.03441	5.9
69.07066	14.3
70.06579	2.7
71.04985	12.3
71.05567	5.6
79.05488	13.7
81.03429	6.3
81.07061	81.4
83.04990	6.8
83.08630	9.0
85.02903	16.7
85.06538	15.2
91.05494	8.2
93.07047	25.7
95.04964	3.6
95.08607	70.1
95.09176	5.0
97.02880	9.5
97.06530	8.2
97.10162	6.2
99.08084	10.4
105.07040	7.6
107.08617	32.3
109.02868	3.4
109.06537	2.9
109.10139	14.6
111.04465	5.6
111.08095	4.3
117.05864	2.9
119.08582	10.4
121.06506	2.8
121.10154	45.5
123.08083	8.4
123.11698	10.0
124.07652	5.2
127.03956	5.0
129.05478	12.2
131.08586	8.4
133.10149	3.5
135.08084	4.3
135.11719	7.6
137.09668	2.9
137.13271	7.2
145.10149	11.4
147.04449	3.1
147.11711	4.7
149.09637	4.0
155.03532	2.6
161.13315	6.7
163.14819	78.0
173.13284	7.7
174.14177	2.8
175.14856	9.5
177.16510	4.3
181.15886	47.0
187.14899	18.2
199.16943	9.9
205.15865	16.3
209.15367	3.4
212.41037	2.5
223.16956	41.4
241.17992	100.0
259.19067	57.6
277.20175	8.2
278.99924	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.7
55.01880	9.6
55.05516	26.1
57.03429	18.6
57.07063	9.4
61.02929	12.7
67.05508	58.3
69.03437	39.2
69.07064	30.8
69.21552	44.3
71.04988	10.7
73.02900	7.3
79.05491	58.4
81.03425	26.7
81.07059	69.5
83.05022	5.2
83.08620	16.7
85.02911	66.2
91.03939	5.4
91.05492	54.4
93.07040	100.0
95.04967	11.6
95.08616	57.3
95.78281	4.7
97.02898	28.7
97.06508	12.1
97.10172	8.4
98.49554	4.3
99.04455	8.5
99.08115	6.1
105.07039	48.7
107.08595	62.0
109.02889	8.6
109.06530	6.6
109.10163	35.3
111.04443	4.7
111.08054	4.4
111.85718	4.3
117.07023	19.7
117.31104	4.4
119.08601	52.4
121.06567	5.4
121.10161	53.8
123.08079	8.4
123.11713	11.6
127.03919	15.9
129.07008	12.0
131.08568	24.6
133.10139	39.9
135.08035	5.9
135.11696	49.8
137.13274	4.9
139.70636	3.9
143.08594	20.4
145.04924	8.0
145.10112	34.3
147.08011	6.5
147.11707	29.8
149.02354	9.2
149.09627	6.8
149.13268	26.2
157.10147	15.8
159.08105	5.9
159.11719	27.0
161.09592	8.8
161.13289	14.4
163.14816	10.6
165.09125	10.6
169.10190	10.4
171.11681	14.0
173.11807	4.6
173.13332	13.5
175.14851	8.9
175.43045	5.1
185.13194	6.9
187.14848	9.2
189.16469	11.3
191.14229	5.7
191.17978	12.5
193.05019	10.9
193.12181	7.9
197.13206	7.2
199.14883	12.7
201.16400	8.6
203.14276	5.0
203.18086	10.8
221.15363	7.8
235.17102	8.3
247.16985	5.1
253.19611	5.8
259.20490	13.6
267.17856	5.1
271.20438	5.6
275.20123	11.9
277.21667	97.2
287.20068	4.5
289.21735	10.3
296.54596	5.1
297.18658	4.8
297.22128	5.8
301.21585	11.3
313.21783	5.1
319.22638	6.9
367.22678	13.2
385.23660	13.0
390.60742	5.4
403.24759	16.6
421.25992	11.1
421.31042	6.6
439.26959	14.1
439.32434	18.5
439.35712	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	439.3212
Annotation	Salacenonal
Peak:m/z	Relative Intensity
55.05518	3.8
57.03429	1.1
57.07064	1.3
65.03934	1.0
67.05506	17.1
69.03421	1.2
69.07078	7.0
79.05499	7.4
81.03411	2.8
81.07061	15.5
83.04987	0.8
83.08635	3.7
85.02897	1.6
85.06513	0.7
91.05490	7.1
93.07053	12.0
95.04984	2.0
95.08611	19.3
96.08940	0.9
97.06526	1.8
97.10189	1.0
98.21539	1.8
105.07040	17.7
107.08595	17.6
109.06525	1.2
109.10168	21.0
111.08077	1.5
117.07052	1.4
119.08585	19.4
121.10155	12.9
123.08076	1.6
123.11718	6.2
125.09703	0.9
129.07013	1.0
131.08578	3.1
132.39754	0.8
133.10139	11.1
135.11703	10.7
137.05988	1.0
137.09604	1.1
137.13240	1.2
143.08588	1.6
145.10139	4.3
147.11696	11.5
149.09625	1.2
149.13284	2.6
151.11166	1.1
156.09367	1.4
157.10114	2.8
159.08078	1.0
159.11687	3.2
161.05949	0.8
161.09679	1.2
161.13277	11.5
163.11154	0.8
163.14830	3.4
165.09053	0.9
171.11656	4.4
173.11794	1.3
173.13283	1.9
175.11203	2.7
175.14842	2.7
177.16396	0.9
179.14236	1.4
183.11716	1.1
185.13277	1.4
187.14891	1.6
189.12769	2.3
189.16403	10.1
191.17947	2.9
193.12256	2.6
199.11247	1.4
199.14771	0.9
201.16350	1.7
203.10698	3.8
203.17937	2.5
205.12265	5.7
207.17450	13.6
211.13301	3.0
213.12898	0.7
213.16383	1.1
215.17993	0.9
217.12245	33.9
217.19502	5.6
231.13953	3.4
233.15492	0.9
249.18448	3.9
277.21954	1.0
421.30798	2.3
421.35535	1.1
437.48553	0.7
439.27029	7.9
439.32050	100.0
440.32443	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.7
57.07077	7.9
65.03957	0.9
67.05508	18.9
69.07072	15.2
71.08634	1.2
71.28506	1.0
79.05502	7.1
81.07059	73.8
83.08633	7.5
91.05480	3.8
93.07052	10.0
95.08612	100.0
97.10160	4.7
105.07044	8.2
107.08600	10.4
109.10163	35.5
111.11736	2.4
117.07047	2.7
119.08601	6.9
121.10153	8.0
123.11710	36.8
125.13295	1.1
126.31959	1.0
129.07053	1.2
131.08592	7.7
133.10141	4.8
135.11691	5.5
137.13261	56.4
143.08595	3.5
145.10121	7.1
147.11688	4.4
149.13257	7.1
151.14842	4.6
157.10139	3.9
159.11720	6.0
161.13283	3.9
163.14795	1.4
171.11649	6.5
173.13278	6.1
175.14905	5.3
177.16454	2.4
179.17990	11.2
185.13226	4.9
187.14789	5.1
189.16393	2.2
191.17973	1.6
193.15929	1.2
199.14827	7.4
201.16362	7.4
203.17953	2.1
205.19542	2.1
213.16379	10.7
215.17960	9.1
217.19504	1.7
219.13742	2.1
227.17970	1.8
231.13831	1.3
232.58365	1.1
233.15175	1.4
241.19556	7.8
243.21112	7.2
245.15401	2.4
247.16922	1.9
255.21109	6.4
257.22815	1.8
259.16959	11.2
261.18381	1.5
269.22653	5.8
273.18457	1.1
285.09079	1.0
287.20108	3.4
289.21561	1.1
301.21585	1.4
384.28958	1.1
393.35153	26.2
439.35703	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	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87632	1.3
55.05508	8.5
55.65290	0.9
57.07062	3.2
60.26733	1.0
67.05508	9.3
69.07070	11.6
69.17995	9.5
71.08656	1.2
78.69914	0.9
79.05501	8.2
81.07070	22.0
83.08633	6.6
84.00106	1.0
84.24812	1.1
85.18232	1.0
89.21428	1.2
91.05498	8.2
93.07050	19.1
95.08616	52.1
97.10169	2.7
97.40388	1.1
98.20759	2.7
105.07044	19.1
107.08601	33.0
109.10171	33.6
111.08090	1.7
117.07014	1.3
119.08591	42.3
121.06422	1.1
121.09336	2.3
121.10156	32.4
123.11714	12.0
131.08560	3.7
133.10143	35.9
134.29842	1.2
135.11690	23.5
137.06200	1.2
137.13301	5.0
145.10124	3.9
147.11705	30.6
149.13277	14.8
153.09154	6.9
153.10150	1.4
157.10094	1.1
159.11697	6.0
160.12492	1.2
161.13254	19.6
163.14828	13.0
167.10658	4.1
173.13271	3.6
175.14832	11.2
175.17235	1.0
177.16402	8.6
179.10603	1.5
187.14856	4.5
189.16408	48.2
189.25629	1.1
191.17964	83.4
192.18326	1.1
193.12299	1.8
201.16409	12.7
203.17972	100.0
204.18361	1.4
205.19559	16.1
207.17438	2.2
213.16457	1.1
215.17911	2.8
217.15907	1.0
217.19501	11.4
221.19006	5.2
223.16901	1.3
229.19565	2.6
231.17412	3.1
231.21140	5.5
235.16922	4.8
245.22679	3.1
247.16962	3.0
249.18535	24.6
261.18488	1.6
393.35327	7.7
439.35767	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	439.3577
Annotation	13,28-Epoxy-11-oleanene-3-one
Peak:m/z	Relative Intensity
53.03925	2.1
55.05500	8.1
57.07069	2.7
62.20515	1.5
67.05509	16.6
68.05898	1.5
69.07078	11.8
69.86507	1.6
71.05005	3.2
79.05497	13.1
81.07063	40.4
83.04973	4.3
83.08631	7.0
83.74383	1.6
85.06552	2.7
91.05483	13.7
91.39336	1.3
93.07053	27.6
95.04961	14.8
95.08614	52.8
97.06540	1.8
97.10191	4.0
105.07038	35.6
107.08603	37.0
109.06533	11.8
109.10160	28.7
111.08092	2.4
117.07008	8.1
119.08587	34.9
121.06497	2.6
121.09336	2.2
121.10157	28.5
123.08072	3.4
123.11715	12.1
125.05930	1.6
129.07031	4.3
131.08585	22.1
133.10132	26.5
135.07086	1.6
135.08067	2.4
135.11702	28.8
137.13278	7.5
143.08572	12.5
145.10129	22.2
147.08041	1.8
147.11710	19.9
149.09642	3.7
149.13278	11.9
151.11192	2.4
155.08572	2.6
156.09378	3.0
157.10133	15.4
159.11714	24.2
161.09619	2.7
161.13242	14.6
163.14861	9.2
165.12720	2.2
169.10156	3.7
171.11646	12.1
173.13287	17.8
175.11122	2.6
175.14832	12.8
177.12846	1.9
177.16397	7.0
179.14272	1.7
183.11688	3.9
185.13306	7.6
187.14836	10.9
189.16396	12.4
191.14296	2.2
191.17992	22.9
197.13280	3.8
199.14801	12.9
201.16429	11.7
203.17955	11.8
205.19493	2.6
207.17502	6.3
211.14845	1.9
213.12637	1.8
213.16388	12.5
215.14360	1.7
215.17999	3.5
217.12320	3.6
217.15906	13.0
217.19576	3.0
223.14659	1.7
225.16411	2.7
227.18005	4.9
229.19524	3.0
231.17540	11.5
241.19630	3.3
267.21091	1.9
271.20789	1.8
375.30426	2.5
377.31964	3.5
395.33090	2.5
403.33844	2.3
421.30008	14.5
421.35004	8.0
439.36261	100.0
440.36081	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.05513	12.0
57.07065	6.3
66.61292	2.0
67.05505	22.3
69.07081	17.8
69.36683	2.3
69.61758	3.7
69.62158	13.7
79.05503	14.9
81.06586	4.3
81.07055	63.8
81.28222	2.0
83.08605	6.6
91.05485	13.5
93.07043	35.9
95.04976	3.8
95.08610	100.0
97.06517	4.3
97.10161	5.1
105.07031	36.6
107.08593	47.5
109.06510	4.9
109.10162	42.9
111.08088	3.5
117.07028	6.0
117.97031	2.1
118.65981	2.1
119.08587	53.8
121.10144	38.0
123.08075	3.2
123.11715	21.4
129.07008	3.8
131.08560	16.2
133.10129	33.3
135.08064	3.7
135.11702	23.8
135.12633	3.6
137.09595	2.7
137.13260	36.9
142.07706	2.9
143.08551	10.3
145.10103	19.0
147.08104	2.5
147.11702	33.3
149.13269	18.1
149.56238	2.7
154.12085	2.4
155.08606	3.7
157.10144	11.9
159.11699	21.2
161.09637	2.8
161.13251	18.9
163.11205	3.0
163.14845	16.0
169.10036	4.4
171.11720	9.7
173.09729	2.9
173.13258	19.7
175.11238	2.8
175.14861	14.4
177.12747	2.2
177.16374	11.3
179.14354	2.8
183.11618	3.5
185.13281	6.7
187.14847	16.3
189.12749	3.6
189.16415	23.9
191.17993	23.8
195.11609	2.7
197.13289	6.6
199.14787	10.1
201.16379	12.2
203.14296	3.3
203.17932	23.7
207.17455	7.3
211.14859	4.0
213.16362	8.9
215.17969	10.2
217.15897	3.2
217.19594	6.4
223.14908	2.4
225.16451	5.7
227.17975	3.6
229.19661	3.7
231.17499	10.2
231.21074	2.7
241.19543	4.8
243.17387	3.4
245.18954	3.9
253.19701	2.7
255.21054	3.0
271.24243	3.5
393.35074	8.7
395.32892	10.7
403.33746	5.1
411.36166	4.7
421.34818	27.7
439.36539	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55993	0.4
52.10669	0.4
53.03937	1.1
55.05274	0.7
55.05516	8.4
55.37635	0.4
57.07079	3.3
59.04977	0.5
65.03912	0.5
67.05505	8.5
69.07072	12.5
70.98576	0.7
70.98903	0.8
71.08614	0.8
79.05080	0.6
79.05498	6.9
81.07058	18.8
82.93274	0.5
83.08626	6.3
89.06023	1.7
90.34210	0.4
90.36213	0.4
91.05477	8.1
93.07046	19.5
95.08611	45.8
97.10172	5.0
105.06313	0.6
105.07034	18.6
107.08595	35.2
109.10160	28.3
111.04437	0.6
111.08063	0.7
111.11718	0.9
111.53114	0.4
117.07014	1.4
119.08585	36.3
121.10149	30.0
123.10830	0.7
123.11711	9.7
125.05977	0.9
125.09598	1.0
131.08549	2.7
133.10135	32.9
135.11696	22.5
137.09624	0.7
137.13237	3.0
139.07523	1.0
145.10136	3.6
147.11688	28.1
149.09706	0.7
149.12067	0.8
149.13261	15.5
151.07568	1.4
151.11162	0.5
153.09109	5.9
157.10106	0.8
159.11696	4.3
161.13258	14.3
163.14825	8.0
165.09109	1.1
167.10655	4.1
171.11673	0.7
173.13300	2.3
174.14091	1.0
175.11249	1.0
175.14833	8.5
177.16393	4.6
179.10703	1.4
181.12283	0.8
185.13237	0.9
187.14868	2.1
188.15688	0.5
189.16389	34.1
190.16707	0.5
191.17953	100.0
192.18410	1.2
193.12250	1.6
201.16397	6.0
203.17964	90.3
204.18347	0.7
205.19522	21.9
207.13916	0.6
207.17398	1.2
215.17932	3.0
217.19511	7.0
221.15479	1.0
221.19055	3.8
223.16901	0.8
227.18025	0.6
229.19492	1.2
231.17543	3.3
231.21103	1.9
235.16920	3.4
239.14969	0.7
240.15303	0.8
241.19366	0.6
245.22726	1.2
247.16891	3.6
249.18506	25.3
261.18561	1.5
297.25812	0.7
384.26318	0.5
393.35156	4.6
421.34860	0.7
421.50211	0.5
439.35733	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	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.05508	9.6
57.07078	9.9
65.03908	1.5
67.05513	17.2
69.07069	16.3
71.08633	3.1
79.05482	8.6
79.66664	1.5
81.07061	73.1
83.08614	7.7
89.06017	5.9
91.05478	3.6
93.07044	11.5
95.08612	100.0
97.10169	4.8
105.07034	7.9
107.08595	11.7
109.06464	1.7
109.10168	44.4
111.11732	2.3
117.07077	3.0
119.08621	12.0
121.10147	14.1
123.11711	35.6
129.06952	1.9
131.08566	7.6
133.08589	2.6
133.10132	6.9
135.11705	5.8
137.13268	51.6
143.08551	3.2
145.10150	11.3
147.11678	5.1
149.13278	6.2
151.14838	5.6
157.10141	5.7
159.11688	5.6
161.13293	4.4
163.14769	1.7
171.11707	7.7
173.13269	8.6
175.14827	8.2
177.16394	3.0
179.17972	11.5
185.13243	4.8
187.14835	5.6
189.16331	4.6
191.17958	6.9
199.14836	6.9
201.16403	7.1
203.17953	5.5
205.19492	4.0
213.16335	11.0
215.14381	1.7
215.18031	10.2
217.12491	1.9
219.13983	1.9
227.18057	2.0
239.14911	4.6
241.19637	7.9
243.21072	8.7
255.21097	4.5
257.22562	2.6
259.16949	10.2
261.18393	1.8
269.22592	3.2
287.20044	2.2
289.21619	2.4
315.23193	1.6
351.30542	1.6
393.30576	2.5
393.35248	24.9
439.35986	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
53.06129	0.9
55.05312	1.0
55.05512	11.4
57.07071	3.7
66.34093	1.0
67.05505	19.4
69.03411	1.0
69.07064	15.8
69.22163	2.6
69.22556	8.3
71.04983	2.1
74.32172	1.2
79.05493	11.6
79.12881	1.0
81.03390	3.3
81.06593	2.1
81.07059	32.9
83.04963	1.3
83.08620	10.2
85.02882	1.0
91.05471	11.6
93.06484	1.8
93.07047	27.1
95.04947	2.2
95.08605	67.5
97.06525	1.4
97.10159	4.6
105.07035	28.0
107.08598	45.1
109.06530	1.5
109.10160	40.1
111.08060	2.2
111.11685	1.3
117.07027	2.3
119.08587	48.1
121.06509	1.4
121.10146	37.0
123.08036	1.6
123.11710	15.3
125.09601	1.8
126.95352	0.9
129.07025	1.2
131.08571	8.1
132.77396	1.0
133.10132	34.0
135.08054	1.8
135.10715	1.6
135.11699	29.0
137.05998	1.7
137.09641	1.2
137.13293	6.9
139.07423	1.6
143.08539	3.0
145.10121	10.5
147.11687	34.7
149.09566	1.5
149.13254	15.8
151.14832	1.5
153.09126	7.1
157.10063	3.0
159.11674	8.2
160.12543	1.0
161.13257	15.3
163.14819	13.9
165.09105	3.1
167.10651	2.7
171.11688	2.3
173.12000	1.2
173.13216	5.8
174.13889	1.3
175.11224	1.4
175.14842	13.2
177.08992	1.5
177.16377	9.0
179.10661	2.0
179.17908	1.1
183.11824	1.2
185.13298	2.3
187.14854	4.1
189.12807	1.5
189.16400	38.0
191.17950	100.0
193.12206	2.1
193.15839	1.3
199.14772	2.2
201.16391	9.3
203.17960	95.1
204.18323	2.0
205.19519	29.7
207.17465	2.8
213.16389	2.8
215.17931	6.3
217.15834	1.1
217.19525	8.8
221.19000	4.2
223.17055	1.3
227.17934	2.9
229.19461	2.4
231.17421	3.8
231.21036	3.1
235.16855	5.6
241.19484	2.2
243.21060	2.1
245.18932	1.4
245.22585	5.5
247.17047	7.1
249.18506	24.8
255.20915	1.9
257.22614	2.3
261.18497	3.5
269.22781	2.0
275.20126	1.7
297.25937	1.2
301.21524	1.4
315.23047	1.4
357.27859	1.0
393.35168	7.2
421.35062	1.3
439.27036	1.9
439.36063	32.3
439.57947	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	439.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.3
55.05520	10.2
57.07081	7.9
67.05509	33.3
69.03434	5.8
69.07073	20.0
71.04959	3.0
71.08629	2.5
78.43822	1.6
79.05502	13.7
81.03416	5.8
81.07065	71.9
83.04973	1.9
83.08635	12.1
85.02908	2.8
85.91969	1.7
91.05491	13.9
93.07046	22.5
95.04980	4.1
95.08616	100.0
97.06580	2.0
97.10177	4.5
99.08075	1.7
105.07038	18.7
107.08614	20.6
109.10164	46.6
111.04502	1.9
111.08086	2.1
111.11720	1.9
117.07015	4.8
119.08588	19.7
121.10176	15.6
123.11721	33.0
127.03932	2.8
129.07011	3.2
131.08565	12.3
133.10130	16.1
135.08083	1.8
135.11700	14.4
137.05963	2.4
137.09647	2.0
137.13266	43.7
137.14264	3.3
143.08571	5.0
145.10153	12.7
147.11720	12.1
149.02345	10.7
149.13242	8.4
150.02730	6.3
151.07593	1.9
151.14842	2.9
157.10115	6.6
159.11746	10.5
161.13301	10.8
161.14444	1.8
163.07578	1.9
163.14816	4.5
165.09140	2.2
169.10101	2.1
170.47784	1.6
171.11717	8.6
173.13232	8.3
175.11191	2.4
175.14868	8.2
179.10675	1.9
179.17992	11.0
183.11711	2.4
185.13300	5.8
187.14789	8.8
189.16426	8.0
191.17894	8.4
193.04976	14.7
193.12254	2.6
194.05363	12.1
199.14886	4.8
201.16426	7.6
203.17957	14.0
205.19330	1.7
210.96748	1.6
211.13243	3.1
213.16432	10.5
215.18025	8.8
217.19527	2.6
227.14380	2.0
227.17886	3.7
229.19461	3.1
231.21144	2.3
233.15588	1.9
241.19577	8.9
243.21098	5.7
245.15320	2.2
247.16910	2.1
255.21027	6.2
259.17078	7.7
259.20578	4.5
261.18497	1.9
269.22690	5.2
273.18320	1.6
275.20041	2.2
276.99991	2.0
277.21692	2.2
287.20065	3.8
301.21552	2.8
381.57123	1.7
393.35199	23.3
421.25888	5.4
421.30789	3.8
439.27744	6.7
439.36371	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	439.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.05511	24.0
57.07077	11.4
59.05005	2.0
65.03948	4.8
67.05183	3.6
67.05509	43.9
69.03408	4.1
69.07069	26.7
69.20886	14.4
69.21298	4.2
70.06571	6.4
71.05002	2.6
71.08608	2.6
71.65397	1.9
79.05503	20.4
81.03411	9.3
81.06596	3.8
81.07059	71.0
83.04979	8.4
83.08622	16.8
85.02890	5.9
85.06554	5.1
88.07627	7.4
91.05486	21.0
93.06488	3.0
93.07050	39.9
95.04959	5.8
95.08611	100.0
97.02892	3.7
97.06517	5.2
97.10183	10.8
98.97588	4.0
99.08086	3.1
102.09184	5.2
105.07034	45.9
107.04976	3.9
107.07873	4.2
107.08595	60.8
109.02863	3.5
109.06538	3.2
109.10166	72.5
111.08095	3.9
117.07013	7.8
119.08591	58.9
121.06494	2.5
121.10150	48.9
123.08056	4.6
123.11705	29.7
125.09653	4.5
127.03859	4.1
129.07016	3.5
131.08559	10.6
133.10139	52.5
135.11696	42.5
137.05977	9.2
137.09624	4.7
137.13260	28.0
143.08569	7.2
145.10118	20.7
147.08067	3.1
147.11697	44.6
149.02299	13.2
149.09641	4.2
149.13260	24.6
150.02686	7.9
151.07535	6.7
151.14758	2.3
153.09122	9.5
155.08557	3.0
157.10123	12.9
159.11723	14.7
161.13271	22.6
163.14821	18.2
165.09102	7.7
165.12755	3.4
167.10654	3.7
169.10129	2.9
171.11678	6.5
173.11842	4.4
173.13208	13.2
175.11230	3.9
175.14836	16.7
177.09169	3.1
177.16406	8.1
179.14246	2.5
179.18001	6.3
183.11655	2.8
185.13251	5.9
187.14838	9.2
189.16396	43.2
191.14305	4.2
191.17961	93.7
192.18282	3.3
193.04970	14.5
193.12189	7.7
194.05325	10.2
199.14841	5.4
201.16405	11.7
203.06969	2.4
203.17970	98.7
205.12337	2.3
205.19548	26.5
207.17404	3.6
211.13272	5.2
213.16374	6.9
215.17955	9.8
217.19507	9.9
219.21141	3.1
221.18919	7.1
227.18001	2.8
228.23195	7.9
229.19536	4.4
229.23616	11.8
231.17465	3.8
231.21127	3.6
235.16936	3.0
237.07661	13.8
238.07991	14.3
241.19571	6.2
243.21085	5.2
245.22664	7.2
247.16904	6.2
249.18520	26.1
255.21144	2.9
259.16971	3.3
261.18454	5.8
269.22711	3.6
275.20309	2.1
277.21671	3.4
287.19962	2.9
368.11670	2.4
393.35233	15.8
399.31439	2.3
421.26007	3.3
421.35162	3.2
439.28363	42.2
439.35660	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.5
51.02372	0.9
53.03951	2.1
57.03436	1.5
67.05507	0.8
67.66178	0.4
69.03432	8.5
69.73203	2.2
70.06590	1.7
71.04993	1.6
78.03457	11.2
79.05505	0.8
80.05026	1.7
81.03423	12.9
81.07053	1.5
84.04517	3.3
84.08118	0.5
85.02114	0.5
85.02908	9.0
85.03388	0.8
91.05489	8.4
95.04975	1.6
95.08646	0.4
96.04493	1.9
97.02898	4.0
99.04454	1.7
101.07104	0.5
103.05452	1.6
103.96169	0.4
106.02921	56.0
109.02882	8.6
109.06534	1.4
112.07592	1.0
113.02405	0.4
119.04971	1.0
120.08093	1.2
124.03963	100.0
127.03932	6.9
131.04942	1.7
137.06001	1.4
139.45840	0.5
140.07060	0.5
145.04973	0.9
146.06032	3.1
147.04404	1.4
147.88762	0.4
149.14577	0.4
155.07068	1.5
156.05493	0.4
163.03943	1.2
164.07079	5.0
166.05017	2.1
190.04848	0.5
196.06032	0.8
208.06075	0.5
232.06073	4.9
250.07141	17.0
260.12909	0.9
268.08179	58.3
278.13699	1.4
286.09253	4.7
323.13831	0.5
372.58746	0.5
423.15009	0.9
440.19562	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	440.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.2
55.05515	17.6
57.03209	2.2
57.03436	33.2
59.04997	2.1
61.02941	12.1
65.85075	2.1
67.05494	4.1
69.03426	33.4
69.07068	100.0
71.01337	2.9
71.04980	4.8
71.52504	2.7
73.02512	4.4
73.02914	77.3
77.21748	2.0
81.03409	12.8
81.07037	6.0
83.08628	3.1
84.41130	2.1
85.02905	99.0
87.04450	6.9
91.03928	3.0
91.05453	4.5
93.07023	4.8
95.08601	3.2
97.02303	3.8
97.02893	66.6
99.04456	5.4
105.01862	6.0
105.07030	4.0
107.08566	3.0
109.02878	14.1
109.10136	3.4
111.11714	58.2
115.03194	3.8
115.03934	46.6
120.04466	2.7
121.06522	1.9
122.30666	2.0
123.11703	2.0
127.03922	30.9
129.84464	2.3
133.04982	22.5
133.10124	3.4
145.04967	42.7
150.07628	7.4
157.15889	5.2
163.06015	25.3
165.09207	2.4
173.94521	1.8
193.05013	2.4
223.05994	6.2
225.14835	2.3
231.04895	3.7
237.14830	2.3
241.07034	9.4
255.15930	2.9
259.08167	9.7
295.10205	5.6
440.18329	2.8
440.23422	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	441.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	22.3
57.12710	1.3
69.03426	3.2
70.06607	1.7
70.13963	4.5
81.03441	1.6
81.07056	2.6
84.96037	13.3
85.02920	7.3
87.15572	1.6
91.03921	1.8
91.05498	1.6
91.31066	1.3
97.02884	3.6
98.97591	100.0
107.04981	2.2
110.97562	36.2
112.99146	4.9
116.07061	1.9
116.98625	18.9
118.99809	1.4
124.99120	10.8
126.97053	2.6
127.03950	1.9
128.98610	18.0
131.00160	2.0
134.99701	2.5
136.07585	2.3
137.06004	9.2
140.25322	1.3
140.98595	12.8
143.00168	24.1
144.98091	4.4
145.03819	1.3
145.04973	2.0
146.99649	3.7
152.98607	4.5
155.00201	2.2
158.98337	1.8
158.99666	36.8
159.31107	1.3
161.01265	7.5
162.99138	2.6
163.03918	4.1
170.01646	1.3
170.99673	25.7
173.01164	1.4
177.00739	19.5
182.99641	21.9
189.00722	17.2
194.99625	1.6
197.01114	1.9
200.04341	1.6
201.00717	41.4
207.01752	2.4
211.02583	1.5
213.00639	2.9
219.01758	42.1
226.52472	1.4
231.01759	4.1
237.02821	82.5
239.02437	2.1
243.01784	15.9
255.03888	34.2
261.02832	59.8
273.02835	4.4
279.03885	41.9
279.06927	2.8
279.13431	2.0
281.03284	2.1
291.03952	16.3
297.04767	2.5
315.04099	2.7
321.04974	28.4
333.04953	8.5
347.15237	1.5
351.06046	7.1
355.06866	1.8
357.10269	2.7
363.06000	2.1
371.06314	3.5
373.07901	2.3
381.07098	17.0
399.08127	22.0
441.09113	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96304	0.6
56.96562	8.0
70.02007	1.4
84.95597	0.4
84.96032	4.2
85.81408	0.3
86.97607	0.5
90.36980	0.3
98.97588	25.4
110.97564	5.6
111.13811	0.3
112.99145	2.3
116.98624	3.8
124.95483	0.8
124.99117	10.5
126.97056	0.7
128.72864	0.3
128.98586	1.8
131.00162	1.4
136.99072	0.9
138.97020	0.4
139.00674	0.8
140.98599	6.9
142.96495	0.6
143.00169	13.8
144.98152	0.5
150.09543	0.3
152.98607	0.7
155.00162	1.1
156.98119	0.7
158.99660	10.0
161.01253	3.1
169.01776	0.5
169.52145	0.5
170.99696	1.8
173.01201	1.2
174.99168	0.5
177.00716	3.3
182.99660	0.9
189.00687	1.1
192.82372	0.4
201.00728	2.1
219.01759	20.1
220.53467	0.8
237.02820	100.0
238.03169	0.5
255.03885	45.9
260.04474	1.4
261.02707	0.7
265.02222	2.2
273.04959	0.8
278.05502	0.7
279.03891	5.6
283.03333	1.3
291.03860	8.0
292.05377	0.6
297.05063	1.8
303.03854	0.6
305.05569	0.7
309.04913	2.0
315.03845	4.8
317.05490	1.7
321.05011	3.6
333.04987	5.0
335.06339	1.4
345.05392	0.4
351.06113	1.2
363.06003	2.0
373.07886	0.4
373.58286	0.9
381.07043	25.2
382.07288	0.5
399.08136	28.2
422.09625	0.9
441.09164	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	441.1735
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
55.01854	1.3
55.05506	1.1
61.74398	1.0
69.03413	1.9
70.06602	1.4
71.51714	1.7
72.08198	0.8
81.03415	1.2
81.07035	1.4
83.04981	0.9
83.08619	1.0
84.08183	1.0
85.02907	2.3
86.09703	2.0
91.05485	1.6
93.07054	2.3
95.04957	0.9
95.08592	1.8
97.02866	1.1
97.06504	0.9
100.11247	1.5
105.07037	1.8
107.08617	1.5
109.06484	1.1
109.10131	1.4
111.04469	0.7
119.08589	1.7
120.04480	1.1
120.08039	0.9
127.00122	0.8
127.03868	1.5
133.10139	1.9
135.04504	1.0
137.06032	1.6
139.68814	0.9
153.17906	0.8
161.05995	0.8
163.03857	1.7
163.07541	1.5
164.07025	2.0
175.14763	0.9
177.02606	0.9
177.33556	0.8
185.04257	1.3
191.07080	0.9
193.12135	3.3
199.07503	0.9
202.18683	0.8
205.08524	1.1
222.06696	0.8
227.07155	1.2
243.04622	1.2
245.06160	0.8
287.03754	3.2
289.05258	4.4
337.16211	1.1
355.17316	3.2
379.17291	2.4
397.18390	25.1
423.16318	14.6
441.17325	100.0
441.34399	2.2
442.17825	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	441.1732
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
53.75053	0.8
57.03421	0.7
65.61876	0.8
67.05499	0.6
67.23419	0.6
69.03416	1.1
69.07056	1.6
69.45661	0.6
70.06564	0.7
70.54379	1.9
81.03402	0.8
81.07053	2.3
85.02916	1.2
86.09705	16.3
91.05482	1.2
93.07040	1.9
95.08617	1.2
107.08594	1.4
109.02876	0.9
109.10143	1.3
118.68929	0.6
119.08559	1.7
126.05552	0.9
127.03927	0.7
133.10124	2.6
135.11681	1.0
151.11192	2.1
153.60857	0.6
161.97037	0.7
163.03885	1.7
168.11497	0.7
173.13213	0.7
175.11014	0.7
175.14795	1.2
179.10611	1.1
191.14232	1.3
193.12018	3.2
197.09264	2.5
215.10220	0.9
289.05365	1.7
300.19144	2.8
328.18625	3.4
355.17285	5.2
379.17258	1.4
397.18335	37.6
423.16092	3.8
441.17331	100.0
442.17596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1759
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
53.03940	0.8
57.03458	0.6
65.03935	2.0
69.03434	2.6
71.04993	0.6
71.17988	0.9
81.03419	4.6
81.07060	0.5
85.02906	4.4
95.04971	6.0
97.02907	3.2
109.02898	2.6
111.04448	1.0
121.02876	100.0
122.03220	0.7
127.03920	2.4
139.03920	16.9
141.09103	0.5
141.25079	0.4
145.04906	0.8
247.06212	0.7
265.07101	9.0
283.08142	20.4
342.96304	0.6
466.26422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
53.78537	0.9
55.01862	3.4
55.05513	4.8
57.03433	1.1
57.07077	2.4
61.02929	1.8
62.35089	0.8
67.05507	5.7
68.99778	1.7
69.03435	12.4
69.07076	8.4
70.86377	1.7
70.86752	1.6
71.05008	1.2
73.02901	1.1
79.05505	5.1
80.12363	0.9
81.03423	4.0
81.07053	6.8
83.04951	1.4
83.08633	4.9
85.02438	1.5
85.02911	18.5
85.06543	5.0
87.00829	7.7
91.05480	6.5
93.07041	10.8
95.04944	1.4
95.08610	19.8
97.02897	15.1
97.06534	1.8
99.04463	2.2
99.08102	1.0
101.02399	2.4
105.01878	10.2
105.06397	1.3
105.07041	14.6
107.08601	22.6
109.02879	5.2
109.06510	1.7
109.10159	14.4
111.08093	2.3
113.02371	1.4
115.03944	2.5
116.73232	0.9
117.07042	2.0
119.08585	40.3
121.10143	35.9
121.11027	1.1
123.04462	1.0
123.08056	1.4
123.11683	2.1
125.02390	5.4
127.03913	14.4
129.01845	1.9
129.09357	0.8
131.08572	3.8
133.10138	35.5
134.10898	1.8
135.08022	1.7
135.11707	7.7
137.02353	1.1
137.06007	1.0
137.09616	1.6
143.03406	2.6
143.08606	1.1
145.04990	4.6
145.10124	8.8
147.02840	1.4
147.11702	9.7
148.31535	0.9
149.09613	1.3
149.13298	5.0
157.10146	1.1
159.02844	4.0
159.11700	4.2
160.12471	1.3
161.13258	8.3
163.03874	1.1
163.11188	1.1
169.10063	0.9
171.11681	1.1
172.12527	1.3
173.13272	3.7
175.14830	100.0
176.15285	0.9
177.16396	36.9
187.14833	9.9
189.16341	1.9
193.15916	11.0
205.15887	25.7
217.03380	1.1
217.15836	1.6
229.03355	2.2
229.15860	1.2
231.05037	5.8
241.15764	1.3
247.04561	1.4
247.17056	1.0
249.06044	2.0
261.45825	0.8
265.15771	1.3
283.16785	4.5
301.17917	2.7
319.18939	0.9
387.17917	1.0
405.19083	5.0
407.75241	0.9
423.19888	4.2
441.21432	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	441.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45759	7.6
53.03933	7.9
54.23571	7.7
55.01877	14.7
55.05510	17.0
56.76161	7.6
57.03419	9.0
57.52215	7.7
67.05497	24.0
68.99780	9.2
69.03437	43.7
69.07061	21.2
69.28172	75.3
70.49554	6.9
71.04971	17.5
73.02907	18.5
76.20908	7.0
79.05491	23.5
81.03422	63.8
81.07056	34.2
83.04973	15.9
83.08617	17.1
85.02915	100.0
85.06532	11.4
87.00858	52.2
88.88279	7.1
91.05484	24.3
93.07050	43.5
95.04985	56.4
95.08604	54.9
97.02892	31.5
98.20802	16.1
99.04460	28.8
99.08112	9.9
99.76104	7.4
105.01882	41.0
105.07036	66.9
107.08600	40.2
109.02872	41.3
109.06522	43.2
109.10160	18.4
111.04446	25.2
115.03926	11.6
117.06988	13.3
119.08580	71.6
119.57628	7.4
121.06513	9.9
121.10148	31.5
123.08120	17.3
123.11687	32.2
125.05981	11.6
127.03936	62.7
128.04237	12.5
128.06204	8.6
129.01881	8.2
129.07008	7.6
130.01036	7.8
131.08559	34.3
133.10144	93.0
135.08060	15.1
135.11728	45.3
137.05980	25.7
143.08575	14.1
145.04932	15.5
145.10126	21.6
147.08012	11.5
147.11681	32.5
149.13263	12.3
151.11232	9.1
156.09366	10.2
157.10106	22.8
159.02928	20.3
159.11722	28.5
161.09642	32.8
161.13243	16.6
163.07559	10.5
168.09454	8.8
169.10141	10.2
171.11700	28.1
173.13287	49.3
175.11270	10.7
175.14830	75.2
177.12833	9.2
179.10645	19.3
183.11691	16.6
185.09624	8.7
185.13283	18.5
187.14796	17.6
189.12770	9.6
191.14250	22.0
193.15891	18.2
197.13147	12.4
199.14857	17.7
201.12813	10.1
203.14362	15.4
205.15883	14.0
211.14908	10.2
215.14311	14.0
217.15900	59.6
221.11845	9.3
231.04945	7.7
232.81746	9.1
235.16914	44.5
241.15871	16.0
259.17059	19.1
277.17999	31.5
283.16913	21.1
291.43765	7.6
301.18024	28.1
303.75461	11.1
306.12384	8.2
387.17792	8.9
405.19037	20.8
423.20267	29.7
441.16663	16.0
441.25189	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	441.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.7
55.01859	6.4
55.05505	7.6
57.03428	2.6
57.07077	4.3
61.02930	4.3
65.03939	2.3
67.05502	5.7
68.99810	3.7
69.03426	16.4
69.07083	16.0
69.79588	1.9
70.92051	5.1
71.01344	3.4
71.05000	7.3
73.02934	3.7
75.78738	2.2
79.05501	7.1
81.03423	23.6
81.07059	17.3
83.04974	4.3
83.08608	6.3
84.08957	2.6
85.02914	30.0
87.00834	11.4
91.05479	12.7
93.07044	13.8
95.04966	23.1
95.08618	27.0
97.02897	15.2
97.06519	5.1
97.10224	2.8
99.04462	9.8
99.08097	6.4
103.03916	3.2
105.01871	6.9
105.07030	18.4
107.04990	2.4
107.08607	23.5
109.02899	11.6
109.06509	24.7
109.10165	12.7
110.71864	2.6
111.04451	3.3
113.09642	2.5
115.03909	4.5
117.06998	5.9
119.08591	60.2
121.06509	8.1
121.10144	13.5
123.04449	2.5
123.08066	6.8
123.11708	10.3
125.02350	3.3
125.06023	2.7
127.03930	20.6
129.01837	6.5
129.06990	4.7
131.08580	9.9
133.06430	3.1
133.10136	100.0
135.08023	5.1
135.11681	18.4
137.05971	9.3
137.09657	5.2
142.60825	2.0
143.08549	12.4
145.04991	4.6
145.06537	3.6
145.10130	13.6
147.02844	2.7
147.08086	5.0
147.11678	13.9
149.09624	5.4
149.13280	3.5
151.07573	3.5
151.11195	2.2
155.08591	2.9
156.09340	2.6
157.10135	9.5
159.02921	5.7
159.11690	15.0
161.09656	17.8
161.13239	3.7
169.10121	4.6
171.11687	14.6
173.13295	24.8
175.11205	7.1
175.14833	85.7
177.12715	3.3
179.07123	2.4
179.10727	6.4
181.10185	3.3
183.11694	6.1
185.09660	6.6
185.13242	6.6
187.11154	2.6
187.14833	9.6
189.12720	2.8
189.16447	5.2
191.14299	12.9
193.15886	15.8
195.11859	2.6
197.13216	3.4
199.14813	7.0
201.12859	4.2
203.14294	5.8
215.14293	4.7
217.15916	22.0
223.14870	3.8
225.12747	6.7
227.10660	5.1
229.15887	7.8
231.04962	2.9
235.16931	22.6
241.16019	6.1
243.13765	3.8
259.16968	11.2
265.15869	3.4
277.17999	17.7
283.14114	2.3
283.16852	11.7
301.17944	13.8
319.18964	2.7
383.16861	3.6
387.18246	4.0
405.19031	8.5
423.20221	16.1
441.16846	7.3
441.22363	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	441.3367
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05502	6.8
57.72887	1.8
59.04980	6.7
67.05501	9.7
69.07065	10.6
71.04988	2.9
79.05505	11.6
81.07052	26.5
83.08611	4.6
91.05489	21.9
93.07049	22.6
95.08075	2.8
95.08614	36.1
97.06534	3.2
97.10199	2.3
98.20730	4.0
102.83778	1.8
105.07034	45.6
107.08595	44.7
109.06484	2.8
109.09592	1.9
109.10172	21.9
111.08052	4.3
115.05415	2.2
117.07001	8.1
119.08584	63.0
121.10152	27.5
123.08038	4.0
123.11734	11.9
128.06207	3.5
129.06949	7.4
131.08600	19.9
133.10143	46.3
135.08002	3.0
135.11694	41.4
137.09605	3.6
137.13228	5.5
140.81210	2.0
142.07755	6.6
143.08588	13.0
145.10127	30.8
147.11697	25.3
149.13255	10.9
151.11169	4.5
155.08519	9.5
157.10132	27.6
159.11714	33.6
161.09633	29.6
161.13237	15.0
163.14825	9.1
169.10155	12.8
170.10898	2.7
171.11719	13.4
173.13316	18.5
175.11168	12.3
175.14796	8.4
177.12755	2.0
177.16402	4.2
179.14284	5.4
181.10054	3.8
182.10899	4.0
183.11703	16.5
185.13283	14.3
187.14874	10.7
189.16393	50.0
190.57516	2.0
191.14296	3.2
191.17931	8.1
195.11818	3.4
197.13249	16.1
199.14799	9.9
201.12770	16.9
201.16371	7.7
203.14282	5.6
203.17926	6.7
205.15807	2.6
205.19481	2.6
207.17453	79.4
209.13187	4.7
211.14798	16.4
213.16339	6.6
215.14326	6.1
215.17886	5.5
217.15956	2.2
217.19489	4.3
219.13812	9.4
223.14717	2.8
225.16557	9.4
225.18233	2.0
227.18002	3.3
229.15996	2.1
229.19574	2.0
231.17390	2.9
233.18999	3.5
239.17761	1.8
241.19592	2.4
245.18980	6.0
247.20602	2.1
251.17909	5.3
253.19626	2.1
265.19455	2.4
311.02390	1.9
317.87952	1.8
347.27328	11.1
365.28394	41.2
383.29501	46.1
387.30127	3.3
405.26773	2.2
405.31552	21.5
423.32538	71.2
441.33542	100.0
442.34058	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	441.3364
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.01851	0.7
55.05503	1.8
57.07054	0.8
58.01068	0.7
59.04988	1.0
65.03901	0.8
67.05512	5.2
69.03423	2.0
69.07072	3.9
71.52079	0.7
79.05491	5.5
81.07055	10.6
83.04980	1.2
83.08629	2.1
85.06535	1.5
91.05466	4.7
93.07047	11.5
95.04988	1.7
95.08610	16.2
97.02891	5.1
97.06528	2.3
99.08092	1.0
105.07034	11.6
107.08591	19.3
109.06514	1.9
109.10159	10.7
111.08086	2.4
117.07028	1.0
119.08587	18.1
121.06503	1.6
121.10139	8.2
123.08044	2.0
123.11729	4.6
125.05979	5.2
125.09637	5.1
129.06938	1.2
131.08574	6.3
133.10133	14.8
135.08031	3.6
135.11691	16.1
137.09634	2.0
137.13261	1.1
143.08546	2.6
145.10101	5.3
147.08023	2.4
147.11685	9.7
149.09592	0.9
149.13252	5.3
151.11191	2.3
153.09105	14.8
157.10117	2.4
159.08008	2.4
159.11722	6.5
161.09625	7.6
161.13287	6.8
163.07611	0.8
163.14807	4.2
165.09109	1.2
165.12683	1.6
167.10664	6.6
169.10100	1.0
171.10269	1.1
171.11690	3.0
173.09590	2.5
173.13280	10.2
175.11241	0.9
175.14795	4.5
177.16379	1.2
179.10713	1.0
179.14302	3.8
181.12263	1.4
183.11603	1.0
185.13225	1.7
187.14803	5.7
189.16386	24.2
191.14310	6.0
191.17964	2.0
193.12283	1.5
193.15959	0.9
195.13837	1.8
197.13242	2.7
199.14761	1.9
201.12749	12.8
201.16422	2.9
203.14333	1.2
203.17981	2.0
205.19553	1.1
207.17448	42.4
209.15356	13.0
213.16420	2.0
214.17197	0.9
215.14314	28.4
215.17941	2.3
217.15968	4.8
219.11798	1.6
219.13812	17.5
219.17329	1.1
227.44321	0.9
229.15862	1.9
229.19525	3.5
233.15361	13.7
243.17522	1.3
269.18933	2.3
287.20020	0.9
297.22183	0.9
405.31384	2.7
423.32471	19.3
424.33194	1.5
441.33594	100.0
442.33926	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	441.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.2
55.01870	0.2
55.05507	1.4
57.07061	0.3
57.24001	0.2
67.05186	0.3
67.05507	3.9
69.03419	0.6
69.07068	2.6
69.34358	1.2
69.34769	0.4
71.04980	0.3
79.05481	1.4
79.87404	0.2
81.03423	0.5
81.06596	0.3
81.07059	5.4
83.04973	0.6
83.08609	0.9
85.02926	0.2
85.06547	0.4
85.09293	0.2
88.88297	0.2
91.05484	1.1
93.07040	2.7
95.04964	0.6
95.08604	4.1
97.06521	0.5
97.10161	0.7
99.08120	0.2
105.07053	1.1
107.04957	0.4
107.08585	2.3
109.02829	0.2
109.06520	0.7
109.10160	7.3
109.17339	0.2
111.04458	0.2
111.11740	0.2
117.07024	0.2
119.08584	3.3
121.06487	0.5
121.10143	1.6
122.07299	1.5
123.08072	0.7
123.11689	1.9
125.09615	0.5
128.06232	0.3
129.07002	0.4
131.04935	0.4
131.08559	0.7
133.06415	0.2
133.10109	1.5
135.08057	1.2
135.11687	1.0
136.59193	0.2
137.05965	0.7
137.09619	10.4
137.13239	0.4
138.45839	0.2
139.11223	0.2
143.08508	0.4
145.06493	0.9
145.10112	0.6
147.08012	0.4
147.11703	0.9
149.09630	3.0
149.13264	0.8
151.07547	1.9
151.11177	2.2
153.09106	0.8
153.12762	0.5
155.08543	0.4
156.09322	0.2
157.10136	0.3
159.08090	0.3
159.11720	1.0
161.09697	0.2
161.13263	0.3
162.06737	0.4
163.07547	0.9
163.11224	0.5
163.14825	0.4
163.16531	0.2
165.09113	100.0
165.38132	0.2
166.09453	0.6
171.07983	0.3
171.11702	0.3
173.09691	0.4
173.13242	0.5
175.07494	0.3
175.11130	0.8
175.14801	0.8
176.08298	0.2
177.09111	6.0
177.12654	0.4
177.16443	0.3
179.10649	1.0
185.09581	0.3
185.13255	0.2
187.11212	0.7
187.14821	0.4
189.09070	1.0
189.12752	0.5
190.09892	0.7
191.10672	1.5
195.11690	0.3
201.09145	0.6
201.12704	0.3
203.10677	3.0
203.14290	0.4
203.18114	0.2
205.12248	9.6
207.10158	0.3
207.17416	0.3
217.12419	0.3
221.11520	0.3
229.12253	0.4
245.15488	0.3
253.12222	0.2
259.24384	0.3
271.24194	0.3
273.14719	0.3
277.25256	0.4
285.18613	1.0
289.25308	0.7
303.19522	4.5
367.22595	0.6
377.17468	0.2
377.24933	0.2
423.27698	0.3
423.32504	1.2
441.26566	1.6
441.33612	13.3
442.34448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3366
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
53.03936	2.2
55.05486	4.6
67.05502	10.1
69.07073	8.1
71.17347	1.8
79.05477	6.6
81.07058	22.3
83.04920	1.6
83.08621	2.4
91.05496	6.8
93.06493	1.6
93.07045	20.1
95.04970	1.8
95.08610	29.7
105.07036	23.0
107.08596	32.5
109.06502	2.2
109.10162	13.6
111.08061	2.9
117.07018	3.3
119.08585	34.9
121.06503	1.8
121.10138	20.1
123.08040	2.7
123.11674	4.3
125.09641	1.6
131.08557	10.7
133.10129	24.6
135.11684	12.7
137.13281	2.7
143.08588	1.8
145.10138	16.2
147.11720	16.4
149.09586	3.0
149.13271	11.7
155.08542	2.1
157.10120	5.2
159.11685	15.5
161.09605	2.7
161.13246	9.9
163.14799	11.1
165.12851	1.5
171.11674	5.2
173.13280	11.1
175.11194	2.6
175.14780	16.1
177.12732	5.1
177.16370	5.7
179.14232	1.9
183.11691	4.0
185.13237	5.8
187.14780	12.3
189.12794	1.8
189.14774	2.6
189.16385	29.8
191.14302	3.0
191.17886	5.0
195.11766	2.1
197.13190	2.1
199.11174	1.8
199.14886	3.4
201.12743	8.4
201.16422	16.4
203.14273	4.9
203.17979	5.1
205.15887	3.4
207.17465	8.8
211.14861	2.5
213.16306	3.5
215.14326	3.2
215.17943	11.5
217.15855	5.0
217.19530	2.3
219.13795	5.8
219.17415	1.8
225.16296	1.9
227.17844	3.0
229.15868	3.0
229.19514	8.3
237.16396	1.6
241.19557	2.2
243.17328	2.4
245.18771	2.1
247.16968	8.3
253.19434	2.3
255.21011	1.7
259.20578	2.6
261.18497	9.1
275.20007	3.2
279.21033	2.1
283.20560	1.9
287.20038	2.4
362.07437	1.7
377.32004	4.5
387.30377	1.9
395.33188	3.6
405.31467	11.2
408.30145	4.0
411.14130	2.9
412.14932	1.8
423.32501	36.8
425.15744	1.6
426.16635	6.0
441.13693	6.7
441.19073	21.2
441.33548	100.0
442.34036	3.0
468.08160	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05513	3.3
57.07085	1.8
67.05511	3.5
69.07077	7.1
70.09017	7.2
73.40582	1.6
79.05495	2.9
81.07055	9.4
83.08612	2.8
91.05491	3.0
93.07056	8.3
95.08611	14.4
105.07063	5.2
107.08595	9.2
109.10165	8.7
111.11701	1.6
119.08617	7.4
121.10138	9.6
123.08108	2.0
123.11742	6.0
133.10109	7.3
135.08069	3.2
135.11725	9.4
135.12599	1.5
137.13300	4.1
145.10097	2.0
147.11716	4.5
149.09596	9.5
149.13295	3.7
151.11166	1.8
159.11739	2.6
161.13351	2.2
163.11263	1.8
165.09077	3.6
175.14848	2.3
177.16435	3.3
187.14931	2.3
189.16417	3.4
191.18010	2.4
215.17902	2.1
233.19080	2.0
235.17035	5.4
243.21095	2.4
278.87598	1.8
287.23727	5.1
423.36368	3.2
441.37451	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	441.373
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
50.64006	1.4
51.16800	1.4
55.05516	14.6
57.07070	4.2
58.90310	1.9
59.05007	3.3
67.05508	22.1
69.07072	20.0
71.08649	1.8
73.06540	1.8
76.79007	1.8
79.05495	16.7
81.07062	48.1
82.25524	1.8
83.08625	8.7
83.33914	2.0
85.06564	11.1
89.06042	2.2
90.57861	1.8
91.05474	14.3
93.07049	43.1
95.08616	100.0
97.06523	3.4
97.10163	7.7
104.29306	1.5
105.07035	43.1
105.51663	1.6
107.08605	70.4
109.06493	2.0
109.10163	56.2
111.08087	6.2
111.11721	3.8
113.09672	4.9
117.07036	5.1
119.08586	54.1
121.10156	60.6
123.08052	3.0
123.11707	21.5
125.09653	2.6
131.08575	13.0
133.10143	41.6
135.11705	50.1
137.13275	8.5
143.05745	1.6
143.08496	3.5
145.10132	23.9
147.11696	36.3
149.09665	2.1
149.13272	33.5
151.11258	2.4
157.10170	4.9
159.11716	26.5
161.13272	38.2
162.61324	1.8
163.11159	3.5
163.14842	32.4
165.12849	3.2
171.11671	3.3
173.13260	21.9
175.14833	31.0
177.12762	2.1
177.16382	16.9
179.14325	4.0
185.13194	3.6
187.14847	16.4
189.16391	29.1
191.14333	8.7
191.17966	60.4
193.15929	6.0
199.14832	4.1
200.15356	1.6
201.16405	25.0
203.17964	23.0
205.15938	5.8
205.19516	10.1
207.17413	9.4
213.16397	4.9
215.17976	31.0
217.19542	15.4
219.17471	11.4
221.19112	3.7
227.18011	4.1
229.19522	8.4
231.17513	3.7
231.21182	3.6
233.19005	27.6
235.20671	1.9
241.19499	2.4
243.21141	5.1
245.22638	2.5
247.20715	4.7
257.22629	3.1
259.20734	2.0
261.22372	4.4
269.22702	2.1
273.25742	2.2
283.24316	3.3
287.23825	2.8
297.25684	3.7
311.27393	2.1
347.43451	1.7
395.36807	7.3
397.34821	3.2
405.35242	7.4
413.38370	2.4
423.36340	88.2
424.36423	1.9
441.37439	95.3
442.37860	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3732
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
53.03930	2.1
55.05519	10.5
57.07074	5.7
57.48417	1.4
67.05510	21.3
69.07076	16.0
79.05497	16.7
81.06590	3.2
81.07066	56.6
83.04987	2.6
83.08630	11.4
85.06580	1.5
91.05490	16.6
93.07053	35.0
95.08619	100.0
97.06559	2.9
97.10175	5.1
105.07040	35.4
105.07698	2.7
107.08603	56.0
109.10169	47.0
111.08121	2.2
111.11709	2.4
115.05538	1.9
117.07038	6.3
119.08593	48.4
121.06587	1.8
121.10159	41.9
123.08130	2.1
123.11729	25.8
125.09649	4.5
129.07028	2.4
130.07855	1.9
131.08612	15.7
133.10147	37.4
135.11713	32.9
137.09644	3.0
137.13249	25.7
143.08569	5.7
144.09346	2.2
145.10147	23.8
147.11711	24.9
149.09634	1.9
149.13283	15.8
151.11220	5.2
151.14873	2.5
157.10147	9.3
158.10954	3.1
159.11720	31.5
161.09613	1.7
161.13284	20.6
163.11255	2.8
163.14856	19.6
165.09219	1.7
165.12755	3.4
166.55180	1.5
169.10129	2.5
171.11755	9.2
173.13277	18.1
175.11249	2.3
175.14854	14.3
177.12796	4.0
177.16388	9.7
179.14334	6.9
179.17953	1.9
183.11755	4.9
185.13309	5.6
187.14830	15.2
189.16394	15.9
191.14291	3.7
191.17990	28.7
193.15944	5.1
197.13319	2.6
199.14885	8.9
201.12691	1.7
201.16388	18.3
203.14297	1.9
203.17976	17.1
205.15924	5.8
205.19553	4.4
206.85901	1.6
207.17467	9.1
211.14867	2.8
213.16431	7.0
215.14583	2.2
215.17984	22.0
217.15872	4.8
217.19543	10.1
219.17497	6.9
221.19055	3.2
225.16443	2.8
227.17990	2.8
229.19530	5.6
231.17424	3.2
231.21153	3.5
233.18994	10.5
235.16782	1.8
241.19734	2.5
243.17644	3.6
243.21089	3.7
255.21066	2.9
257.22687	3.6
261.21988	2.3
269.22638	1.9
276.17029	1.4
281.22726	2.1
297.25656	2.4
321.99826	1.7
386.60089	1.5
387.30893	1.5
393.35358	2.2
395.36917	2.0
402.42719	1.6
405.35632	8.3
411.36304	7.5
423.36606	34.8
441.33188	13.8
441.37527	15.6
449.86124	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	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03945	2.8
55.05510	13.5
57.07078	4.5
59.05010	3.0
59.56487	2.2
67.05508	25.8
69.07073	25.2
69.46202	13.4
79.05499	17.4
81.07058	76.5
83.08633	8.2
85.06556	6.6
91.05473	15.8
93.07046	41.1
95.04950	2.6
95.08612	100.0
97.06560	2.1
97.10194	6.7
105.07034	36.8
106.01191	2.1
107.08595	77.6
107.09309	3.9
109.10161	57.3
111.08110	6.2
111.11752	3.9
113.09671	5.6
117.07075	3.8
119.08586	59.2
121.10145	63.1
123.08105	3.2
123.11711	26.1
125.09634	4.7
131.08543	10.1
133.10135	36.7
135.08075	5.8
135.11700	51.4
137.09641	4.9
137.13263	6.9
140.55301	3.0
143.08589	2.5
145.10143	29.1
147.11694	33.5
149.09581	2.0
149.13248	29.0
151.11208	4.0
151.14838	2.7
153.12756	4.2
157.10168	5.9
159.11696	34.0
161.13263	35.7
163.07596	6.8
163.11159	2.8
163.14819	30.3
165.09120	32.4
165.12811	3.6
171.11691	5.2
173.13258	18.8
175.14827	37.9
175.16301	2.9
177.12778	2.6
177.16374	15.1
179.14328	2.8
185.13321	3.0
187.14825	16.8
189.14751	3.7
189.16380	27.2
191.14371	7.6
191.17949	57.9
193.15904	5.2
199.14775	5.5
201.16389	19.6
203.18013	21.8
205.12251	3.5
205.15971	6.7
205.19510	13.3
207.17520	7.4
213.16504	6.0
215.17998	25.8
217.19508	13.3
219.17470	9.8
221.19051	4.2
227.17880	2.6
229.19629	7.1
231.17464	3.9
231.21095	5.1
233.19026	27.9
235.20454	2.4
243.21262	4.8
247.20708	2.3
257.22705	3.8
271.24292	4.4
275.23788	2.5
325.75772	2.4
353.28232	2.6
395.36978	8.8
405.35367	9.4
423.36273	89.4
424.36905	2.8
441.37405	98.9
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
53.03948	4.0
55.05505	17.5
55.24878	3.1
57.07061	6.6
65.03944	2.9
67.05505	33.9
69.07072	26.2
71.04981	2.6
79.05489	21.2
81.07059	61.1
83.04965	3.5
83.08620	10.4
91.05476	20.8
93.06504	3.2
93.07054	50.0
95.04988	3.5
95.08611	100.0
97.06531	5.2
97.10159	8.3
97.19178	2.9
98.20654	5.3
99.08067	3.1
105.06388	5.2
105.07031	53.0
107.08592	81.3
109.06519	4.6
109.10162	68.6
111.08075	5.1
111.11723	3.3
117.07006	10.6
119.08584	74.0
121.06504	3.6
121.09335	5.4
121.10146	64.9
123.08065	4.5
123.11694	30.3
125.09631	5.4
129.06934	3.3
131.08572	21.6
133.10141	61.8
135.08038	6.6
135.10699	5.4
135.11690	60.0
137.09636	3.7
137.13170	7.6
139.11201	3.5
143.08572	6.7
145.10123	29.7
147.08107	4.0
147.11682	42.1
149.09581	3.6
149.13255	29.8
151.11180	4.0
157.10121	13.2
158.10844	3.1
159.07919	3.9
159.11702	41.3
161.09653	3.2
161.13248	32.2
163.11182	3.9
163.14853	30.6
165.12700	4.7
169.10071	3.6
171.11661	13.2
173.13284	32.3
175.11377	3.9
175.14804	35.1
177.12749	3.6
177.16357	17.4
179.14258	8.9
183.11700	4.3
185.13300	10.0
187.14790	29.7
189.16382	35.1
191.14224	4.6
191.17941	31.7
193.15976	3.6
197.13202	6.1
199.14806	5.2
201.16399	18.5
203.14331	4.5
203.17958	29.8
205.15845	18.8
205.19510	6.0
207.17520	31.4
213.16383	9.7
215.14316	7.8
215.17947	35.4
217.15941	5.6
217.19528	10.0
219.13800	3.5
219.17500	7.4
221.18982	5.4
227.17943	4.9
229.19513	14.2
233.15483	3.2
233.18997	25.8
239.17879	5.0
241.19537	4.4
243.17426	4.0
243.20972	12.9
247.20480	8.2
251.17880	3.4
255.21082	10.4
261.22183	6.9
269.19086	3.4
273.22137	12.9
283.24124	4.7
309.25800	3.8
327.26816	4.2
368.46060	3.0
405.35193	9.6
411.36746	3.0
423.31848	9.3
423.36835	44.2
441.32590	88.8
441.38062	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	441.373
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
55.05515	3.1
55.33698	1.2
57.07073	3.2
57.10055	1.3
61.94540	1.2
67.05512	6.9
69.07084	5.7
70.64481	2.2
79.05507	3.0
81.07064	16.2
83.08647	3.7
85.06582	2.6
91.05502	5.3
93.07043	14.1
95.08616	21.6
95.09170	1.4
97.10210	2.1
99.08150	1.6
105.07047	8.7
107.08601	20.0
109.06537	2.3
109.10159	14.7
111.08105	2.5
111.11668	1.3
113.09679	1.2
118.67278	1.3
119.08595	16.7
121.10153	17.0
123.08019	2.0
123.11691	7.9
131.08617	4.4
133.10133	42.1
133.11087	2.5
135.11696	17.6
135.12555	1.2
137.09596	2.8
137.13315	3.5
145.10136	8.4
147.11746	7.6
149.09682	2.7
149.13268	6.6
151.11252	1.5
153.12738	1.7
153.88066	1.6
157.10213	2.5
159.11708	15.9
161.13274	9.2
163.14838	6.3
173.13290	8.6
175.14859	9.1
177.12834	2.8
177.16470	4.6
185.13290	1.7
187.14809	9.5
189.16360	8.6
191.14568	2.4
191.18002	7.6
193.97887	1.2
199.14986	3.8
201.16403	10.4
203.18013	6.2
205.15889	3.2
207.17542	3.6
213.16518	1.6
215.14478	1.6
215.17912	9.7
217.19624	3.5
219.17625	3.1
233.19141	3.7
243.21205	1.7
335.47726	1.3
354.72855	1.6
405.35449	3.2
423.36621	11.7
441.37579	100.0
442.37732	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	442.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03942	1.7
55.05503	0.3
57.03426	0.7
57.81970	0.3
61.02925	3.8
66.56564	0.4
67.05501	0.5
69.03431	4.6
70.06600	2.5
71.04994	0.5
72.08138	0.6
73.02925	0.8
78.03458	5.3
79.05495	9.8
80.05008	1.8
81.03418	7.9
84.08144	1.6
84.20642	0.3
85.02905	8.3
85.06562	0.6
86.09711	0.8
86.80277	0.4
91.05473	1.2
93.06481	0.6
93.07043	7.3
95.05004	0.4
95.08595	0.5
96.04509	2.0
96.90417	0.3
97.02892	3.6
97.06516	4.1
98.06059	0.8
98.97565	0.6
99.04449	1.5
106.02915	25.6
107.04923	0.3
109.02876	5.6
113.09666	0.4
119.07321	1.3
119.08630	0.4
121.06470	1.6
122.02396	1.5
124.03954	100.0
125.04296	1.1
127.03922	3.6
137.06007	0.4
139.07538	10.8
140.03433	0.7
145.04953	1.2
147.04410	0.4
150.09149	0.6
157.08646	1.9
163.03905	0.7
163.11281	0.4
166.05008	1.1
176.07005	0.5
190.78410	0.3
194.05107	0.3
208.06062	0.4
215.13953	0.6
219.01808	0.4
226.07236	0.7
232.06070	2.8
234.14972	0.9
250.07100	8.3
266.06491	0.4
268.08163	39.2
269.08398	0.7
269.12909	0.6
280.15524	0.8
284.07544	0.4
286.09213	32.4
287.09375	0.4
295.11349	0.5
315.13437	1.5
377.15704	0.4
406.15088	0.4
424.16519	0.5
442.15857	2.0
442.21292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
53.16581	1.6
55.01876	1.8
55.05510	6.1
56.43658	1.3
57.03442	21.4
57.07071	3.2
60.04502	1.6
61.02934	11.3
67.05505	2.6
69.03083	2.7
69.03436	33.2
69.07072	3.4
70.06590	1.5
71.01331	3.0
71.05006	1.7
71.08646	7.8
71.51961	2.4
73.02925	48.2
81.03420	6.5
81.07058	4.8
82.06572	4.4
83.04994	2.5
83.08624	5.6
84.08184	2.0
85.02914	100.0
85.06573	2.4
87.04456	5.3
88.11284	6.8
91.03960	4.8
93.07042	2.5
94.06496	1.5
95.04963	2.0
95.08607	3.3
97.02905	44.5
99.04469	6.9
100.07624	3.9
100.11266	11.6
108.00053	1.4
109.02898	8.3
109.10162	2.3
111.04446	5.8
115.03944	31.9
119.08572	2.0
127.03935	24.3
128.07085	5.3
133.04987	12.2
133.10117	2.5
137.09549	1.5
138.09123	4.5
138.10094	1.4
140.07086	1.9
145.04974	54.6
150.07652	2.3
163.03978	2.3
163.06035	21.9
164.04311	2.1
165.09102	12.2
165.10153	1.2
166.09497	5.6
167.07109	3.3
170.15413	24.7
176.15285	2.8
182.15395	15.2
198.14903	19.4
210.14893	19.6
223.06110	3.0
228.16043	3.8
241.07130	4.0
245.18643	6.7
259.08173	3.7
293.19525	5.9
295.10248	1.9
297.25497	4.2
336.22961	2.2
337.21155	5.4
339.12366	2.3
355.22256	4.4
412.40582	1.8
424.26526	2.7
424.31766	19.5
442.32886	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	443.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.4
54.03460	3.0
55.04244	3.0
57.03444	0.6
61.02936	0.6
69.03419	1.9
69.84074	2.4
80.05013	0.6
81.04546	19.9
82.05334	8.4
83.04955	0.6
85.02921	3.1
97.02888	1.2
97.56268	0.5
98.97599	0.9
101.06029	1.1
102.06341	0.6
108.05608	1.3
109.02937	0.6
110.07154	0.7
114.03738	0.6
121.07639	0.5
122.07159	99.0
123.07941	91.8
127.03888	0.6
133.48045	0.6
142.03242	0.6
144.04794	0.9
160.04268	1.9
165.07741	3.0
172.04404	1.2
201.99966	0.5
210.77937	0.5
281.10690	61.0
282.11115	0.8
323.11786	1.0
412.95392	0.5
443.15988	100.0
444.16257	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54990	1.0
53.03940	2.5
55.01860	2.7
55.05514	1.8
57.03426	1.9
61.02924	1.9
63.03952	1.0
65.03929	2.2
67.05499	4.6
69.03438	6.1
69.07067	3.6
69.97737	5.6
71.04993	1.5
78.04711	3.5
79.05490	6.7
81.03397	5.3
81.07053	10.9
83.08623	2.4
85.02909	8.8
85.06086	1.6
85.06551	22.0
87.00810	3.6
91.05481	11.8
93.07030	9.1
93.41570	1.1
95.04948	2.2
95.08611	11.6
97.02888	5.2
97.06533	1.7
98.21480	1.7
99.04462	2.2
99.08077	3.0
103.05472	2.7
105.01849	2.8
105.07037	15.2
106.04154	3.4
107.04948	3.7
107.08593	7.5
109.02893	4.1
109.06505	2.6
109.10164	9.8
110.03677	1.3
111.04447	1.8
111.08084	1.3
115.03928	1.9
115.05468	6.9
116.06191	1.5
116.10012	1.2
117.06992	2.7
118.04136	1.6
119.05087	1.0
119.08577	7.2
121.06490	2.8
121.10181	6.7
123.04439	7.5
123.11696	5.1
124.05223	2.7
125.05978	4.4
125.09619	1.5
127.03941	7.0
127.11147	2.0
128.06203	3.6
129.01773	1.6
129.07033	5.9
131.04936	3.1
131.08604	3.3
132.05711	4.8
133.06506	8.8
133.10100	3.2
135.11679	2.5
137.05991	6.6
137.09608	3.2
137.13274	2.9
141.07063	1.6
143.04910	1.4
143.08557	1.7
144.05695	2.7
145.04922	2.4
145.06435	1.2
145.10146	2.5
147.04370	3.4
147.08011	3.5
147.11653	2.3
149.09630	2.4
149.13272	1.4
151.03899	1.9
151.07545	13.5
152.04669	2.3
153.05473	10.0
157.10146	1.7
159.02916	3.3
159.08047	8.2
159.11731	4.5
160.05217	3.9
161.04630	2.0
161.05957	14.4
161.09575	1.3
161.13239	1.6
163.14810	1.3
165.05443	3.1
165.06927	2.7
165.09126	30.8
166.06262	2.9
167.07050	78.6
168.07498	1.4
171.11761	1.2
172.05211	4.5
175.06056	2.1
175.07559	40.9
175.14772	1.8
177.05467	1.6
177.12787	3.1
177.16446	6.4
178.07735	1.3
179.17941	1.6
186.06813	2.1
187.07556	22.0
188.12984	1.2
189.05434	1.9
189.07018	1.3
189.09087	2.1
189.16422	1.3
190.07779	2.8
191.07094	2.4
191.08580	4.8
195.13861	3.1
197.08099	1.2
199.07544	8.3
202.07791	2.8
203.08542	4.2
205.06485	1.8
205.12231	1.5
206.07254	2.9
207.08095	2.6
209.08049	1.8
217.06622	2.9
217.08511	2.3
218.07291	4.0
219.08069	9.7
219.17476	1.5
220.08778	2.5
221.06076	1.9
221.09645	3.4
222.81142	1.4
231.08022	4.8
232.08937	1.4
233.05992	2.9
233.09697	2.6
234.06757	3.5
235.07483	3.8
236.08365	2.6
237.09119	2.9
239.09151	14.1
246.06761	3.3
247.07533	5.9
248.08447	5.5
249.05537	2.3
249.09094	7.7
250.06090	2.3
250.09853	2.0
251.07220	1.6
251.10612	4.4
253.08606	2.8
258.06656	1.8
259.07581	4.9
260.08298	1.9
261.05478	1.6
261.09027	5.0
262.06342	1.4
263.07019	3.3
263.10675	3.5
264.07840	5.2
265.08643	8.0
273.09097	2.4
275.07059	3.9
276.07776	6.8
277.08621	6.1
278.09348	3.7
279.10214	6.6
281.08136	2.7
281.11771	1.4
289.08609	3.9
290.09259	1.6
291.07162	1.7
291.10086	6.7
292.07312	1.7
292.11011	1.2
293.08020	3.3
293.11636	3.8
294.08994	2.2
296.10483	1.9
297.11194	1.6
304.07312	1.5
305.08218	3.0
305.11475	1.4
306.08893	1.5
307.09625	5.2
308.10364	5.0
309.07510	1.5
309.11163	4.2
311.12598	1.4
319.09702	5.8
320.10385	3.7
321.07834	1.9
321.11020	7.1
322.08771	1.3
323.12793	3.7
324.13470	6.8
325.10501	2.8
325.14063	1.6
336.13614	2.7
337.10635	1.8
339.12296	100.0
340.13095	12.2
351.12204	14.3
352.13138	7.5
383.14740	3.8
395.14691	1.4
413.15652	2.1
425.15768	4.2
425.21619	1.4
443.18417	4.6
443.34897	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	443.1891
Annotation	Tyr Phe Asn
Peak:m/z	Relative Intensity
50.02611	0.6
55.03407	0.6
67.05543	0.7
69.03439	1.0
69.96879	0.6
70.06597	4.2
70.67666	0.6
71.51862	1.0
81.03391	1.0
81.07050	1.5
84.08171	0.8
85.02911	1.9
93.07040	1.4
95.08591	3.4
96.29274	0.7
97.02909	0.8
105.06979	0.9
107.08588	1.7
109.02905	1.6
118.06905	0.9
119.08608	1.3
121.10168	2.3
123.11731	1.3
123.68259	0.7
127.03920	0.8
129.10202	0.7
133.10162	1.9
135.11722	1.5
137.09584	0.6
148.26686	0.7
159.09247	0.7
165.09123	0.9
177.16357	3.8
188.00630	0.7
195.13640	2.3
246.14104	0.6
247.39539	0.6
281.17209	0.8
339.17694	0.8
357.18817	3.8
399.19949	20.6
425.17960	3.5
443.18933	100.0
444.19580	0.9
464.97714	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87354	0.6
53.03949	0.9
55.01860	1.8
55.05509	4.1
57.03431	0.7
63.02898	0.7
67.05507	3.8
68.99792	0.9
69.03438	4.2
69.07072	10.8
70.88277	0.6
71.04976	0.8
71.37851	1.0
74.14668	0.5
79.05486	2.6
80.74548	0.6
81.03409	2.7
81.07062	6.9
83.04980	2.3
83.08616	0.9
85.02907	5.0
85.06548	5.1
87.00814	2.0
91.05449	2.9
93.07052	5.7
95.04958	1.2
95.08614	9.4
97.02901	1.8
97.10178	1.2
99.04458	0.7
99.08102	1.7
105.01865	1.4
105.07030	3.9
107.08601	5.8
109.02866	1.6
109.06502	1.4
109.10162	6.1
111.11721	2.8
115.03935	1.1
117.07001	0.8
119.08579	3.8
121.06520	2.0
121.10138	4.8
123.04446	0.6
123.08038	1.1
123.11693	2.2
127.03955	3.8
129.07034	0.7
131.08580	1.5
133.10123	2.3
135.08025	0.8
135.11707	1.6
137.05994	1.3
137.09625	1.2
137.13232	0.8
139.11162	2.2
143.08606	0.8
145.10103	2.4
147.04382	0.7
147.08110	0.9
147.11653	1.5
149.09546	0.7
149.13261	1.7
151.07550	1.7
155.08588	0.8
157.10162	1.2
159.08000	1.0
159.11734	2.1
161.05974	1.2
161.09660	0.8
161.13268	2.4
165.09106	4.4
167.07053	5.3
169.10094	0.8
171.11659	1.4
173.13286	1.8
175.07565	2.7
175.14830	2.2
177.12740	0.7
177.16396	6.2
185.13373	1.1
187.07571	2.1
187.14854	1.1
189.16354	1.1
191.08745	0.7
191.10551	0.9
195.13644	1.6
195.17421	2.1
199.07489	0.8
201.16318	0.8
213.16379	0.6
223.13069	0.7
227.05222	0.9
239.09106	1.0
265.08499	1.0
277.08621	0.7
285.18661	0.6
291.10129	0.8
293.08163	0.7
303.19592	1.1
307.09622	0.6
321.11194	0.9
321.20593	0.8
339.12384	6.0
339.16760	0.8
339.17435	0.7
340.13080	1.2
352.13220	1.1
357.18881	7.4
389.19736	0.7
399.19931	27.0
400.20126	0.8
407.20630	1.5
425.21564	1.5
443.18896	100.0
444.18768	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	443.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01866	2.3
55.05518	3.0
57.03443	3.5
61.02933	3.6
67.05495	2.1
69.03440	11.3
70.06594	4.6
71.04982	4.0
71.51745	3.4
72.08134	3.9
74.06062	2.0
79.05489	7.6
81.03400	9.4
81.07067	5.5
84.08132	1.7
85.02440	2.9
85.02912	31.3
86.03239	4.3
86.09691	2.4
91.05496	4.1
93.07042	6.2
95.04986	8.7
95.08619	2.8
97.02893	8.9
97.06506	1.9
97.11443	1.7
99.04429	2.5
105.07037	5.7
106.46804	1.7
107.08607	11.2
109.02877	6.8
109.10178	3.1
110.52206	1.7
111.04447	2.3
117.14536	1.8
119.08575	5.2
121.02876	100.0
121.06509	3.2
121.10146	3.1
123.08039	3.0
124.90912	2.4
125.09643	2.4
127.03904	9.7
127.95074	1.6
131.08601	2.1
137.06001	2.6
137.09685	1.9
139.03908	16.8
143.08536	2.6
143.10704	7.3
145.04932	10.0
145.10120	4.4
146.05296	2.9
147.04416	3.7
147.11685	2.2
151.11189	3.8
157.10155	2.9
159.11664	2.1
163.03893	3.4
163.06030	3.6
173.09700	2.1
175.75839	1.9
185.13243	3.1
203.10686	1.8
226.24005	2.0
233.11909	2.2
233.15456	3.3
245.15346	6.3
263.16495	6.4
265.07074	5.9
281.17630	13.8
283.08130	24.6
302.19647	1.7
331.31308	1.8
337.69498	2.0
395.84061	1.9
443.14127	3.1
443.23422	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1915
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
53.03935	1.7
54.00535	1.4
57.03447	2.0
57.08870	1.6
61.01137	5.6
67.05495	5.0
68.37693	1.7
69.03437	9.0
70.06598	3.6
71.03679	4.4
71.04920	1.7
75.35572	1.8
75.42276	1.5
79.05480	5.5
81.03426	8.7
81.07040	6.6
83.04990	2.5
84.08141	2.0
85.02901	10.6
85.06550	31.5
86.09723	2.0
89.26144	1.7
91.05473	12.4
93.07038	6.8
93.30016	1.7
95.04957	2.3
95.08614	9.0
97.02880	6.3
97.06519	5.6
99.04479	1.7
103.05463	2.3
103.75089	1.7
105.07018	7.9
107.04932	6.3
107.08588	7.3
109.02875	6.8
109.06499	4.3
109.10116	1.9
111.04442	5.6
115.05424	3.3
117.06999	3.5
119.04944	11.9
119.08565	8.3
120.08108	5.1
121.06514	5.6
121.10140	2.4
123.04406	2.6
123.08052	5.7
127.03913	5.8
128.06195	1.9
129.07002	2.0
131.04968	3.6
131.08522	4.4
133.06516	2.4
133.10136	3.0
135.04399	3.6
135.08063	100.0
137.05983	8.9
141.09091	4.3
143.08458	4.2
144.09297	2.7
145.08607	5.9
145.10056	4.0
147.04425	25.6
147.08051	6.0
147.11705	3.5
149.09587	2.8
151.07550	4.9
156.09320	6.3
157.06454	2.2
157.10112	5.6
158.07251	3.3
159.08044	7.6
159.11713	11.3
161.05949	5.0
161.09550	2.5
163.02802	1.6
163.03943	13.9
164.07076	7.0
165.05519	4.5
165.07001	3.2
169.10086	3.6
171.11636	5.0
172.08882	9.2
173.09625	16.2
175.03952	10.6
175.07469	3.9
175.11151	3.1
183.11601	2.4
185.05911	2.0
185.09567	2.4
187.11177	40.1
189.12796	3.6
197.09534	2.4
199.07558	2.1
199.11179	7.2
203.10594	14.1
207.06499	22.0
215.10634	24.8
217.08624	2.1
217.12224	6.2
227.10698	6.3
232.09683	3.3
233.09566	3.4
233.11754	51.7
245.08058	3.1
245.11746	32.6
249.07671	4.4
263.09540	3.0
263.12836	36.2
263.15930	2.6
281.10281	2.6
283.13852	2.1
351.11148	2.4
390.61819	2.2
425.14612	2.3
443.16489	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.7
55.01862	10.6
55.05509	11.9
57.03434	11.6
57.04779	3.7
57.07067	6.6
61.02917	8.2
67.05520	23.7
68.99787	4.0
69.03434	50.5
69.07075	20.2
69.24553	3.4
69.60113	3.6
70.06575	4.9
70.42973	13.3
71.04982	9.4
71.80607	2.9
73.02890	9.8
76.04600	3.4
77.29755	3.2
79.05496	18.0
79.26219	3.3
81.03011	3.1
81.03430	44.0
81.07067	55.3
83.08614	13.5
85.02912	96.1
85.06535	5.0
87.00333	4.0
87.00838	49.9
87.62505	2.9
91.05489	19.4
93.07054	44.6
95.04960	7.6
95.08064	5.6
95.08618	68.3
97.02901	29.2
97.06532	4.1
97.10161	4.3
99.04475	18.0
100.12133	3.9
104.00983	2.9
105.01869	20.6
105.07035	19.8
107.04929	3.8
107.08593	59.6
109.02903	41.5
109.06525	4.2
109.10171	45.3
111.04411	3.8
115.03879	7.9
117.01832	4.6
119.08607	17.3
121.06533	5.9
121.10156	72.9
123.11712	42.3
125.02381	3.9
127.03931	75.4
129.01848	3.4
129.06985	3.2
131.08588	7.1
133.10172	15.7
133.51283	3.1
135.11708	33.7
137.05962	9.0
137.06985	4.0
137.13272	43.8
145.04953	23.2
145.10117	7.2
147.02885	4.6
147.04440	3.7
147.11668	10.9
149.13263	8.2
151.07579	3.9
156.09364	3.2
157.10194	7.2
159.02888	20.6
159.11655	8.8
161.13269	10.7
163.11188	4.6
167.07016	6.9
171.11760	4.5
173.13235	5.8
175.07643	4.0
175.14742	9.4
177.16400	100.0
179.14297	3.3
179.16646	3.6
179.17957	25.5
185.03151	3.6
187.14793	3.5
189.16467	6.9
193.15897	4.2
195.17453	10.7
201.16400	4.3
213.03886	3.9
213.16269	4.0
219.05035	3.9
219.17476	4.2
225.16037	3.1
231.05064	12.5
247.04549	3.9
264.11087	4.5
285.18655	5.8
320.13223	5.6
374.21945	3.6
399.20108	5.8
407.20721	5.4
443.18579	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	443.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58912	1.6
53.03932	5.0
55.01867	6.1
55.05281	2.7
55.05518	36.4
57.03447	9.5
57.07067	2.6
59.00452	1.6
59.04987	6.9
61.02921	9.9
67.05495	6.1
67.69195	1.7
68.59126	1.6
69.03093	2.3
69.03437	36.8
69.07053	1.7
70.06587	7.0
71.04983	4.2
71.51577	2.6
72.08166	1.8
73.02914	3.0
77.30324	1.7
79.05484	7.3
81.03419	13.7
81.07062	15.0
83.01360	1.9
83.04984	51.1
83.08589	3.2
85.02911	87.1
85.06554	9.7
86.09705	2.5
87.04475	4.2
91.03962	2.2
91.05479	15.8
93.07053	13.5
95.04977	19.2
95.08603	6.5
97.02907	23.0
97.06524	5.6
99.04449	6.7
101.06024	30.8
105.07032	21.1
106.02927	8.4
107.03246	2.7
107.04939	4.0
107.08602	15.4
109.02889	9.5
109.06512	16.0
109.10157	6.8
109.61736	2.0
111.04423	2.7
117.07010	6.8
119.08607	15.7
121.06512	10.2
121.10150	18.6
123.08061	6.5
124.03976	16.8
125.04279	4.9
125.05977	6.5
127.03943	19.3
128.06267	2.5
129.07104	4.2
130.07745	2.6
131.04906	2.1
131.08557	6.1
133.06468	2.2
133.10139	12.3
135.08061	14.4
135.11699	5.3
136.07547	2.0
137.05963	6.0
137.09621	8.6
139.07512	3.0
142.07744	2.2
143.08585	6.4
145.04961	15.3
145.06514	3.9
145.10130	15.4
147.04388	4.4
147.08058	29.1
147.11726	2.1
149.06010	3.7
149.09630	5.4
151.07498	3.6
151.11223	2.4
157.10110	6.7
159.08060	5.7
159.11673	6.9
161.09624	15.6
161.13272	3.6
163.07498	2.9
163.11189	92.9
165.09084	3.5
165.12784	4.4
171.11725	3.3
175.11130	2.3
177.09125	28.3
179.10669	7.8
181.12241	42.6
185.13232	4.6
187.11203	4.4
189.09123	7.7
199.14839	2.2
203.14316	7.8
205.12282	8.6
207.10170	24.2
223.13245	3.5
227.14316	3.3
233.15417	4.7
245.15382	19.9
252.87039	1.9
263.16440	100.0
268.08167	3.0
269.08505	8.6
281.14722	3.1
281.17514	47.0
316.13754	3.9
323.32312	1.8
443.17273	7.4
443.23087	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	443.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01860	14.5
55.05503	22.0
57.03420	6.3
61.02924	5.0
67.05511	23.6
68.99776	4.8
69.03439	26.7
69.07073	34.4
69.23382	37.4
70.35666	3.9
71.04970	4.7
73.02926	4.0
74.31906	3.6
79.05479	22.7
81.03433	18.4
81.07054	43.4
83.04990	9.8
83.08621	13.1
85.02909	53.7
85.06533	10.2
87.00831	16.1
87.04464	4.4
88.53567	4.0
91.05485	19.1
93.07047	47.3
95.04966	11.6
95.08613	98.7
97.02885	22.9
97.06534	6.8
97.10196	4.9
98.21504	9.5
99.04420	5.7
99.08100	81.9
103.03939	6.3
105.01868	13.8
105.07040	38.4
107.04969	4.5
107.08598	61.5
109.02876	15.0
109.06557	7.6
109.10150	27.4
111.04411	7.2
111.08094	31.0
111.11710	12.2
113.09634	6.9
115.03905	6.5
115.05471	4.3
119.08601	40.9
121.06523	6.8
121.10147	100.0
123.08040	8.9
123.11701	46.4
123.28681	4.1
125.06007	6.3
125.09615	4.4
127.03937	23.7
129.01826	9.1
129.07008	7.0
131.08557	13.5
133.06453	4.2
133.10135	53.1
135.08038	9.7
135.11691	26.4
137.05983	9.0
137.09647	6.8
137.13235	3.7
143.08539	10.1
145.04955	5.8
145.10130	22.7
147.08005	7.3
147.11696	17.9
149.09625	8.2
149.13254	10.8
151.07536	9.0
157.10141	16.3
159.02898	5.4
159.08086	5.2
159.11714	17.1
161.09616	4.8
161.13235	14.7
163.11162	7.6
163.14807	15.4
165.09088	22.3
167.07007	4.0
169.10083	5.9
171.11710	11.8
171.59154	3.9
172.12566	3.8
173.13246	15.9
175.14815	46.4
177.16377	71.5
183.11725	6.1
185.13254	7.9
187.11162	5.0
187.14795	24.4
189.16354	11.4
191.10619	4.2
193.15894	11.5
195.17488	5.5
197.13245	5.4
199.14856	8.8
201.16338	8.1
203.10788	3.7
205.15906	6.5
206.02069	3.8
209.13272	5.8
211.11198	5.5
213.16159	4.0
217.15907	4.8
219.17442	10.7
225.16386	4.6
227.14279	7.2
231.04977	7.8
231.17493	5.5
239.14253	7.0
243.17560	8.1
249.16371	4.7
261.18585	5.1
267.17508	6.3
281.18884	5.9
285.18494	24.3
303.19537	13.0
339.12408	5.4
371.18317	5.4
377.26736	3.9
389.19492	13.0
407.20514	22.4
425.21860	11.8
443.23706	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	443.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
56.05028	0.6
57.05797	0.5
60.04536	0.4
60.05654	7.0
66.54133	0.4
66.87051	0.4
67.05508	0.6
69.03436	1.1
69.07072	7.9
70.06596	19.1
70.47202	0.9
71.04996	0.9
72.08159	1.7
81.03440	0.8
81.07046	0.6
83.04924	0.4
85.02903	1.9
86.09710	96.2
87.10054	0.5
93.07057	0.4
95.04990	0.9
95.08633	0.4
97.02893	0.9
97.07665	0.6
101.06013	0.8
101.65086	0.4
102.66733	0.4
105.07033	0.5
107.04983	0.4
109.02882	0.6
109.06532	0.4
112.08719	3.1
113.07108	0.5
114.10262	0.8
115.08691	4.1
116.06351	0.6
116.07103	8.2
119.04951	0.7
119.08622	0.5
121.02868	4.0
121.10184	0.5
122.03167	2.1
123.03441	0.5
123.04454	0.4
127.03925	0.9
128.10728	18.2
130.09766	2.7
133.09779	0.7
137.09636	0.6
139.03828	0.5
147.04428	3.0
156.10202	1.1
156.11319	8.2
158.09254	7.7
159.08052	0.6
163.03896	0.4
163.07513	0.4
163.11177	0.5
165.05527	0.6
175.11914	17.4
185.10246	0.4
187.10835	0.6
215.10347	0.6
226.15483	0.5
263.16495	1.5
269.18588	0.7
271.17673	8.2
281.14859	0.6
281.17599	0.9
284.08749	0.5
288.20187	1.0
437.43457	0.4
443.29803	100.0
444.30014	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	443.3524
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03939	0.4
55.05505	1.5
57.03440	0.3
57.07081	0.5
67.05514	2.3
69.07068	1.8
69.61385	1.1
69.61794	1.1
79.05506	1.6
81.07059	5.9
83.04984	1.1
83.08618	1.0
91.05457	1.7
93.07048	5.0
95.04975	0.9
95.08608	11.3
95.09184	0.7
97.06532	0.9
97.10162	0.6
98.20772	0.6
105.07029	5.4
107.08604	8.0
109.06508	0.7
109.10168	5.4
111.08087	0.8
117.07030	1.0
119.08585	7.3
121.06528	2.1
121.10154	6.7
123.08080	1.3
123.11702	2.4
125.09608	0.4
131.08614	1.9
133.06520	0.4
133.10139	5.0
135.08054	1.4
135.11688	4.9
137.13266	1.1
143.08574	1.0
145.09041	0.3
145.10109	2.2
147.08063	1.2
147.11687	4.1
149.09627	1.9
149.13277	2.1
151.11188	0.7
157.10158	2.0
159.08093	0.4
159.11696	2.0
161.09618	2.7
161.13261	2.4
163.11183	0.5
163.14813	1.3
169.10149	0.6
170.27524	0.4
171.11678	1.7
173.09683	0.8
173.13243	2.4
175.11201	2.1
175.14812	3.5
177.12799	0.5
177.16347	3.3
183.11668	0.6
185.13292	1.0
187.11261	1.0
187.14796	1.9
189.12772	0.9
189.16380	4.4
191.14339	0.7
191.18022	0.5
197.13316	0.5
199.14812	1.3
201.12793	0.9
201.16409	0.9
203.14360	0.6
203.17990	0.7
205.15805	0.5
207.17477	0.8
211.14853	0.5
213.16362	1.1
215.14354	1.0
215.18015	1.1
217.15833	2.5
217.19580	0.5
219.17317	0.3
227.17928	2.0
229.16017	0.5
229.19478	0.5
231.17447	4.6
235.16963	3.3
241.19618	0.4
243.17398	0.4
243.20978	0.8
245.19041	1.0
253.19554	0.5
257.19183	0.5
257.22418	0.4
271.20657	2.1
285.22327	0.5
289.21619	0.4
311.23676	1.0
329.24918	1.0
389.32346	0.9
407.33023	2.5
425.28354	0.3
425.34149	12.3
443.35226	100.0
444.35532	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	443.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.3
57.07083	3.6
58.05964	2.6
60.04512	3.3
66.08444	2.9
67.05506	33.4
69.07069	24.4
71.52409	3.1
72.64855	2.8
73.45824	2.5
79.05504	22.3
81.07063	60.1
83.04994	3.8
83.08624	9.4
91.05489	29.0
93.07054	54.1
93.07639	3.5
95.04971	5.8
95.08618	100.0
97.06548	4.7
97.10192	4.2
102.51237	2.8
105.07040	73.1
105.07706	5.9
107.08606	77.4
109.06570	5.7
109.10163	60.5
111.08081	6.8
117.07034	10.0
119.08595	82.6
120.24108	2.7
121.06504	10.0
121.10159	55.7
123.08092	7.3
123.11704	15.3
125.09713	3.6
129.07039	5.9
131.08595	24.2
133.10139	59.1
135.08098	9.3
135.11711	27.4
137.09647	7.5
142.07834	5.0
143.08604	11.0
145.10141	40.6
147.08102	4.6
147.11693	43.6
149.09662	7.1
149.13297	23.7
155.08600	3.7
156.09331	3.9
157.10149	24.5
159.11711	33.6
161.09628	8.9
161.13289	34.1
163.11252	6.9
163.14857	32.6
165.09122	20.2
169.10161	4.3
171.11732	11.6
173.13304	34.7
175.11209	7.7
175.14861	41.0
177.12746	6.8
177.16399	21.3
183.11755	7.8
184.12555	4.2
185.13307	11.1
187.14854	35.9
189.12810	7.3
189.16417	33.4
191.14333	32.2
191.17970	21.8
192.14676	3.8
193.15047	3.9
199.14867	15.4
201.16428	17.5
203.14412	13.9
203.17984	91.6
205.15904	24.8
207.17500	4.2
209.13463	4.6
209.15326	25.4
213.16457	5.8
215.14284	4.6
215.18001	5.9
217.15916	13.8
219.13808	5.8
221.15408	6.9
225.16495	6.7
227.17934	4.9
229.19676	3.5
235.17059	6.4
243.21347	3.4
311.23831	7.5
389.32062	6.6
395.32974	5.8
407.33356	16.8
425.34412	19.1
443.35510	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3524
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03916	1.4
55.01864	2.4
55.05512	6.6
57.07080	1.4
57.95364	1.2
61.83910	1.4
62.33446	1.3
67.05513	9.4
69.07072	8.7
78.97926	1.2
79.05502	7.9
81.07059	21.8
83.04973	4.6
83.08607	4.5
91.04958	1.2
91.05469	8.6
93.07047	23.9
95.04956	2.2
95.08611	31.0
97.06514	3.5
97.10168	1.5
101.06007	3.4
105.07041	16.4
107.08598	34.2
109.06528	6.3
109.10159	18.9
111.08069	1.9
116.90128	1.3
117.06998	3.2
119.08589	32.4
121.10152	24.1
123.08129	6.7
123.11712	8.4
129.06996	1.4
131.08589	7.3
133.10146	20.3
135.08070	6.5
135.11697	18.9
137.09596	3.9
139.11211	7.6
143.08560	6.1
145.10147	13.2
147.11697	14.4
149.09648	1.9
149.13290	7.5
151.11186	6.5
153.12712	3.3
156.09305	2.3
157.10123	7.0
159.11711	19.4
161.09627	2.5
161.13258	18.5
163.11133	1.8
163.14827	18.4
165.09111	2.5
171.11676	5.9
173.13252	9.9
175.11133	1.6
175.14835	5.9
177.12781	1.4
177.16408	3.3
179.14323	32.1
181.15842	3.5
183.11639	1.5
185.13255	5.0
187.14850	10.6
189.12813	3.7
189.16415	8.7
191.14211	1.4
191.17928	4.8
197.13213	2.0
199.14806	10.7
201.16420	20.1
203.14317	5.6
203.17976	21.9
205.15839	2.3
207.13808	3.7
207.17401	4.5
213.16362	6.4
215.17952	5.4
217.15887	25.7
217.19197	1.9
219.17393	5.2
227.18007	9.0
229.19507	1.6
235.16931	42.0
241.19463	1.9
245.19115	1.9
253.19308	1.7
255.21031	4.6
257.22687	2.3
263.19827	1.6
269.22617	4.0
311.23773	2.0
370.32379	1.6
389.31967	3.6
407.33121	100.0
408.33606	1.6
425.34131	42.1
443.35242	40.8
458.57947	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
53.53913	0.2
55.01871	0.2
55.05507	0.8
57.07068	0.4
57.25828	0.2
60.14452	0.2
65.03955	0.2
67.05510	3.4
69.03433	0.5
69.07073	1.3
69.20232	1.0
69.20654	0.7
70.06594	0.3
74.61134	0.2
79.05490	0.7
81.03404	0.6
81.07069	2.6
83.04980	0.8
83.08607	0.5
85.02900	0.4
85.06544	0.4
91.05494	1.1
93.07037	1.2
95.04974	0.4
95.08615	2.8
97.02898	0.4
97.06526	0.3
97.10188	0.5
103.05482	0.2
105.07033	0.8
107.04955	0.5
107.08592	1.3
108.08102	0.2
109.02882	0.3
109.06516	0.4
109.10169	4.9
111.04424	0.2
111.08064	0.2
117.07024	0.4
119.08596	3.5
121.10175	0.9
122.07314	1.8
123.04510	0.2
123.08054	0.3
123.11700	0.7
131.08607	0.4
133.10129	0.8
133.57080	0.2
135.08080	0.4
135.11710	0.7
137.09627	10.3
143.08615	0.3
145.06473	0.2
145.10121	0.4
147.04370	0.2
147.11719	0.7
149.09639	0.8
149.13271	0.7
151.07550	0.4
151.11163	0.3
153.12903	0.2
157.10094	0.3
159.11684	0.5
161.13245	0.5
163.07547	0.6
163.14760	0.2
165.09126	100.0
166.09456	0.8
167.07118	0.4
173.09500	0.2
175.07603	0.2
175.11214	0.2
177.09180	0.4
177.16402	0.4
179.10744	0.2
186.60416	0.2
187.11247	0.4
189.09033	0.3
189.16370	0.2
191.10687	0.5
203.10828	0.3
203.17996	0.2
205.12263	2.6
247.24374	0.2
257.08081	0.2
273.25833	0.6
291.26746	0.8
339.12427	0.2
425.34012	0.8
443.35291	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	443.3523
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
52.45983	2.2
55.05503	10.8
57.07075	7.1
59.19532	2.0
67.05516	19.6
69.07076	18.0
70.56892	4.1
70.57264	5.1
74.89751	2.2
78.94167	2.5
79.05508	16.2
81.03439	3.4
81.07062	43.4
83.08611	6.5
91.05479	14.5
93.07053	39.2
95.04980	4.9
95.08615	63.9
97.06535	4.6
97.10198	3.3
105.07033	36.6
107.08601	48.6
109.06516	5.4
109.10152	37.0
111.08096	4.3
113.09608	2.8
117.07035	4.3
119.08588	47.6
121.06509	3.1
121.10150	46.0
123.08030	4.2
123.11698	19.7
125.09567	2.9
129.06973	3.6
131.08606	11.0
133.10130	31.7
135.11687	30.3
137.09660	3.8
137.13252	11.5
139.11159	2.7
143.08577	7.0
145.10126	22.5
146.27165	2.3
147.08084	3.7
147.11703	29.3
149.09622	2.6
149.13269	19.2
151.11221	5.7
157.10149	10.7
159.11696	21.8
161.13295	19.2
163.14833	20.4
165.09201	3.2
165.12514	2.7
169.09985	2.5
171.11722	8.6
173.13280	16.4
175.11188	4.3
175.14789	18.3
177.12817	3.6
177.16443	9.8
179.14250	3.1
183.11754	3.4
185.13306	9.9
187.14853	15.3
189.16397	21.9
191.14380	3.7
191.17978	9.9
193.15906	5.5
195.11938	2.4
197.13438	3.1
199.14856	6.9
201.16412	9.7
203.14313	37.2
203.17902	12.9
205.15964	6.9
207.17543	11.1
211.14934	5.6
213.16466	7.8
215.17992	12.1
217.15898	24.4
217.19589	8.6
219.17436	4.7
219.21365	2.6
227.17941	7.0
229.19490	5.8
231.17543	2.8
233.19125	3.9
235.16986	8.7
241.19600	10.0
243.21175	4.4
245.19171	4.3
253.17906	3.6
255.21153	3.3
257.22604	4.1
259.20627	6.6
269.22684	3.3
271.20544	3.8
283.17001	13.1
285.22183	2.6
311.23810	3.4
377.32104	7.6
379.33704	9.5
383.33139	4.6
389.32083	9.0
395.33133	13.9
397.34723	8.7
407.33136	32.7
413.34360	7.2
425.34195	50.9
443.35275	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	443.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50568	9.9
54.86378	10.7
57.07100	11.8
69.07053	20.5
71.53076	18.4
79.05515	12.0
81.07050	42.4
91.05465	12.4
93.07035	25.5
94.82264	9.7
95.08627	66.1
105.07037	32.6
107.08595	51.1
109.10147	70.0
119.08583	54.4
121.10156	49.3
123.11698	27.5
127.11227	16.7
133.10147	38.1
135.11705	56.5
137.13258	16.6
147.11690	40.1
149.13246	37.1
159.92914	11.6
161.13275	32.2
163.14824	24.9
189.16396	23.4
191.17935	91.8
203.17969	36.0
205.19568	13.8
217.19588	35.4
287.13599	10.8
425.37766	71.1
443.18353	100.0
443.33371	83.8
443.38828	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	443.3885
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.03946	1.7
55.05514	12.7
55.16094	1.7
57.03428	2.9
57.07077	4.0
63.94494	1.7
67.05177	2.6
67.05508	26.8
69.06726	2.7
69.07070	21.1
69.53841	12.0
75.47195	1.7
79.05507	12.3
80.50679	1.9
81.07057	52.3
83.04999	1.8
83.08603	11.6
85.06523	2.7
87.18969	1.7
91.05478	13.6
93.07050	36.5
95.08611	100.0
97.06517	3.7
97.10167	8.2
97.24718	2.1
105.07032	28.3
107.08600	65.6
109.10158	72.0
111.08084	5.8
111.11729	3.0
115.93554	1.8
117.07027	3.1
119.08582	41.4
121.10146	55.7
123.11714	26.5
125.09632	7.9
131.08575	5.9
133.10136	32.8
133.11096	2.9
135.11700	35.6
137.13242	8.9
139.11148	2.0
145.10130	7.7
147.11690	27.1
147.12814	2.1
149.13271	28.5
151.11159	2.1
151.14803	4.4
157.10278	3.2
159.11708	10.7
161.13257	28.6
163.14838	36.2
165.12819	4.3
173.13284	7.2
175.14839	22.5
177.12738	2.1
177.16367	31.3
179.14320	5.0
179.17891	2.7
185.13274	1.9
187.13379	1.9
187.14758	9.7
189.16396	22.1
191.17963	78.8
201.16467	8.6
203.17969	40.0
205.19498	15.1
207.17465	7.0
213.16454	3.2
215.17976	8.4
217.19522	53.7
219.21190	2.3
221.18980	15.7
229.19504	4.6
231.17043	1.9
231.21097	4.9
233.19083	3.6
235.20589	30.9
237.11282	3.5
245.22627	5.1
247.20703	2.4
249.22328	2.0
257.22641	2.8
259.24368	2.0
261.22128	2.4
263.23688	4.3
299.23694	4.2
357.20538	5.4
375.21552	4.5
390.67642	2.2
395.36749	13.1
397.38516	2.3
407.36871	5.9
413.37885	17.8
425.37827	39.8
443.18411	2.8
443.33722	30.7
443.39066	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	443.3887
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.03949	1.4
55.05516	15.5
57.03429	3.0
57.07074	4.5
63.45393	1.6
67.05192	1.5
67.05515	24.1
69.07070	25.6
70.64283	3.2
71.08628	1.9
79.05495	16.4
80.60607	1.3
81.07063	60.1
83.08611	10.5
85.06548	2.1
87.04449	3.9
89.07404	1.4
91.05475	9.8
93.07053	39.2
95.04969	1.7
95.08612	100.0
97.06528	3.1
97.10193	9.2
105.07041	30.3
107.08599	65.1
109.06582	1.9
109.10164	67.8
111.08071	3.4
111.11755	2.8
117.06995	2.8
119.08591	38.9
121.10156	56.7
123.08097	2.7
123.11712	26.5
125.09650	5.9
125.13240	1.6
127.11206	1.8
131.08565	3.5
133.10139	28.1
135.10707	2.1
135.11708	38.2
137.13264	11.4
139.11183	2.6
143.08611	1.7
145.10088	9.8
147.11696	28.5
149.13266	26.8
151.11217	1.8
151.14793	3.1
157.10170	1.6
159.11723	10.8
161.13272	24.1
163.14838	38.1
165.09073	1.8
165.12799	1.7
173.13257	4.6
175.14859	17.7
177.16391	22.8
179.14322	5.5
187.14864	10.3
189.16371	18.0
191.17967	67.3
193.15852	2.1
201.16423	9.4
203.17976	33.5
203.19778	2.5
205.19522	8.6
207.17435	5.5
213.16124	1.6
215.17896	6.7
217.19530	48.3
219.21109	2.6
221.19072	13.4
229.19554	3.3
231.21089	4.8
233.19008	4.0
235.20587	29.9
243.21036	2.5
245.19028	2.8
245.22766	3.6
247.20638	1.8
257.22672	2.6
261.22177	2.4
263.23718	2.4
283.24252	2.2
297.25616	1.5
297.93759	1.4
387.63467	1.6
395.32486	3.6
395.37360	7.7
407.32858	4.2
407.36768	5.3
413.37897	13.2
425.38379	36.5
427.32440	1.5
443.33765	19.1
443.38953	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	443.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.05505	14.2
56.03796	1.7
57.03446	2.0
57.07065	6.4
58.02180	1.8
59.76210	1.7
61.16775	1.9
67.05188	2.3
67.05508	36.3
69.07072	19.7
79.05484	14.5
81.06599	3.5
81.07058	53.2
83.04927	2.0
83.08622	13.4
85.02911	11.8
85.06537	3.0
91.05489	13.7
93.06501	2.4
93.07047	39.5
95.04964	2.9
95.08609	100.0
97.06524	3.8
97.10172	8.6
98.21495	5.7
99.08115	4.3
105.07028	29.4
107.08598	70.6
109.06501	2.6
109.10156	99.8
111.08055	3.5
111.11691	6.6
117.07014	4.1
119.08588	43.3
121.10145	59.4
123.08038	5.1
123.11713	28.1
125.09624	5.2
127.11179	4.8
131.08488	2.8
133.10135	35.7
135.07980	2.1
135.10696	3.4
135.11685	49.0
137.09602	3.1
137.13266	15.0
143.08556	2.2
145.10062	9.8
147.11685	29.4
148.11983	2.1
149.09631	2.3
149.13261	27.2
151.11124	2.0
151.14764	3.1
157.10103	6.1
159.08159	1.9
159.11693	16.9
161.13260	27.2
163.11125	3.9
163.14838	31.1
165.09111	2.3
165.12694	2.8
171.11618	2.9
173.13246	6.5
175.14832	17.1
177.16405	10.1
179.14316	11.2
185.13327	4.3
187.14813	11.0
189.16383	23.1
191.14198	2.0
191.17952	54.8
193.15884	3.0
199.14790	4.2
201.16394	12.4
201.64922	2.0
203.14424	4.9
203.17979	26.3
204.78178	2.0
205.15897	4.2
205.19498	9.2
207.17444	12.7
213.16335	2.1
215.17937	8.3
217.15900	5.1
217.19510	31.0
219.10167	3.5
219.21071	4.0
221.18939	6.2
229.19469	3.3
231.21063	3.2
231.24266	2.0
233.18878	3.7
235.20479	9.8
237.11238	4.9
245.22632	5.5
257.22672	3.3
261.21942	2.2
285.22205	2.6
285.25635	2.2
299.27338	3.3
339.19528	2.2
357.20468	6.5
375.21497	2.8
389.31250	2.2
407.36768	7.5
425.38113	44.4
429.62762	2.2
443.34595	43.3
443.40131	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3885
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.03940	2.0
55.05515	9.6
63.33582	1.5
65.03931	2.3
66.09268	1.7
67.05511	17.9
69.07074	18.8
69.15994	5.3
69.16405	12.2
77.19765	1.5
79.05497	11.4
81.07066	41.8
83.08611	8.3
91.05486	11.0
93.07047	34.0
95.08613	100.0
97.06524	2.8
97.10165	6.6
105.07046	20.4
107.08600	54.9
109.10170	63.1
111.08080	2.6
111.11732	2.9
117.06973	2.2
119.07805	3.0
119.08590	32.1
121.10151	68.0
121.39831	1.5
123.08080	2.2
123.11723	22.2
125.09563	3.8
127.57561	1.5
131.08519	2.8
133.10132	25.5
135.11694	34.0
137.13286	8.3
139.11174	7.4
145.10135	6.0
147.11694	27.0
149.13255	21.3
159.11681	5.3
161.13283	17.3
163.14854	26.6
173.13312	1.9
175.14827	13.0
177.16397	13.5
179.14314	4.4
187.14775	4.0
189.16414	14.4
191.17969	80.0
201.16487	3.3
203.18010	21.5
205.19495	8.6
207.17375	3.0
215.18005	3.0
217.19518	34.0
219.21169	2.6
221.18988	7.9
229.19650	1.6
231.21074	3.0
233.19078	2.6
235.20570	30.9
243.20999	1.9
245.22679	2.9
249.22076	2.3
263.23669	4.1
311.27274	2.2
329.28549	4.1
373.27185	2.6
395.36581	5.0
395.41248	1.8
406.21268	1.8
407.32544	3.1
407.37094	3.1
413.37802	8.1
425.37997	27.8
443.34229	5.4
443.39670	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	443.3884
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05516	12.7
55.28619	1.7
57.07069	4.6
59.12027	1.8
65.08842	1.8
67.05509	28.9
69.07069	22.6
70.64332	2.8
70.64677	4.1
71.04964	2.1
79.05499	11.3
81.07060	51.8
83.08632	8.1
91.05476	10.5
93.07050	38.2
95.04964	2.0
95.08611	100.0
97.06559	5.5
97.10178	7.1
99.08119	2.3
105.07043	26.7
107.08598	60.6
108.29604	1.8
109.06507	3.9
109.10162	84.8
111.08091	6.5
111.11721	6.9
117.07014	2.6
119.08587	43.5
121.10151	51.3
123.08078	2.1
123.11713	25.1
125.09640	4.8
127.11257	3.0
131.08557	5.1
133.06514	2.8
133.10138	32.5
135.08067	6.4
135.11696	43.9
135.12717	2.3
137.09639	3.3
137.13278	10.4
143.08572	5.3
145.10091	10.3
147.11687	23.2
147.12701	2.7
149.13278	24.0
151.11176	2.2
151.14850	2.9
153.12799	2.3
157.10219	4.4
159.11687	17.3
161.09593	4.3
161.13275	22.2
163.14832	25.0
165.09181	4.6
173.13301	8.5
175.14844	18.5
177.16388	10.2
179.14302	9.0
185.13286	2.8
187.11221	2.0
187.14809	10.7
189.16388	29.3
191.17958	37.5
199.14828	3.1
201.16397	10.6
203.14366	13.0
203.17963	27.1
205.15865	3.6
205.19577	5.2
207.17444	13.7
215.18016	6.7
217.16008	8.9
217.19493	18.0
219.17635	2.0
221.19019	11.0
227.17995	2.2
229.19533	4.0
231.21178	3.8
233.18900	3.9
235.20605	6.4
241.19560	3.3
243.21135	4.4
245.22615	3.1
257.22635	2.6
299.27231	3.3
379.33725	3.0
395.33218	4.4
397.34763	5.0
407.32001	9.3
407.37100	5.3
425.33826	25.4
425.37851	28.5
443.34360	13.6
443.38876	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	443.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90066	2.1
51.51578	1.8
54.65941	2.3
55.05498	14.0
57.07052	6.3
59.62874	2.0
60.74573	1.9
65.36004	2.2
67.05514	24.9
69.07070	18.2
70.11695	9.2
79.05500	15.9
81.06601	2.7
81.07059	48.8
83.04974	2.2
83.08617	11.8
89.04803	2.1
91.05492	13.9
93.07052	40.2
95.08616	100.0
97.06506	3.5
97.10158	5.9
99.08081	3.8
105.07043	25.1
107.08600	65.8
109.10165	98.0
111.08074	5.3
111.11716	5.4
117.06974	3.7
119.08589	39.3
121.10155	51.3
123.08086	5.3
123.11699	23.8
125.09648	6.4
127.11182	4.3
131.08557	8.1
133.10127	28.2
135.11691	47.2
137.13257	11.9
139.11191	2.3
145.10133	8.7
147.04333	2.6
147.11711	28.3
149.13281	27.4
151.14780	3.8
159.11693	11.1
161.13255	24.2
163.14822	24.5
165.12729	3.8
165.42409	2.1
173.13269	8.5
175.14879	12.5
177.16382	6.2
179.14384	14.1
185.13292	2.4
187.14789	7.2
189.16370	22.6
191.17970	48.8
193.15904	3.0
201.16325	9.7
203.17967	23.0
205.19498	6.1
207.17456	12.3
215.17952	8.5
217.19482	24.1
221.19049	4.5
229.19675	3.1
233.19017	4.8
235.20554	8.7
243.21056	2.6
245.22522	2.3
299.27258	3.4
329.28549	2.6
407.36789	6.5
425.38089	45.5
443.34576	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	443.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.05516	11.2
57.07091	3.6
59.18628	2.0
65.03953	2.3
67.05180	2.4
67.05507	23.8
69.07069	18.9
69.50681	11.7
71.04985	2.0
71.08635	3.0
79.05490	15.5
81.03420	1.9
81.07062	54.8
82.35072	1.9
83.04978	1.7
83.08630	10.7
85.06549	2.4
91.05489	15.6
93.07053	40.1
95.04996	2.2
95.08613	100.0
97.06496	4.2
97.10166	7.7
99.08060	1.9
105.07031	31.2
107.07878	3.7
107.08600	62.1
109.06505	4.0
109.10165	56.3
111.08089	2.4
111.11703	3.6
115.41882	1.7
117.07011	3.6
119.08594	42.3
121.10152	57.2
123.08064	4.5
123.11713	24.3
125.09643	5.9
129.07053	2.3
130.73415	1.7
131.08560	11.5
133.10141	34.0
135.11699	39.6
137.09587	2.1
137.13263	11.0
139.11148	3.5
143.08525	4.2
145.10146	14.2
147.11691	31.0
149.09596	2.0
149.13248	23.5
150.13681	1.8
151.11145	2.9
151.14807	3.1
157.10161	7.3
159.11700	17.8
160.12532	1.8
161.09619	4.0
161.13226	25.1
163.14838	39.0
165.12785	4.0
169.10211	2.3
171.11693	5.4
173.13304	9.9
175.14813	17.8
177.16393	22.3
179.14322	7.7
181.15883	2.0
183.11749	2.5
185.13300	5.7
187.14806	16.2
189.16409	23.7
191.14342	2.3
191.16220	2.9
191.17963	51.6
199.14864	6.9
201.16354	9.8
203.14380	9.4
203.16235	3.3
203.17984	30.6
205.15916	2.0
205.19557	11.1
207.17403	11.4
211.14836	1.9
213.16451	6.1
215.17966	7.9
217.16013	13.8
217.19507	38.5
221.18907	9.0
227.18028	6.3
229.19592	6.7
231.21111	3.8
233.19116	3.7
235.16936	17.5
235.20564	15.8
241.19467	2.4
242.22282	2.1
243.21080	6.0
257.22632	2.8
269.22510	2.0
285.25821	3.0
339.30289	2.0
377.32391	3.5
382.31619	2.3
389.31860	3.3
395.32498	3.7
395.36862	7.5
397.34424	4.1
407.32593	8.5
413.37872	13.4
425.33929	18.2
425.37976	17.3
443.35034	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	443.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.05514	13.6
57.07064	3.8
67.05500	24.3
69.07069	20.8
72.45884	2.6
79.05482	13.7
81.06586	3.9
81.07055	60.6
83.08601	8.7
85.06553	2.6
86.21869	2.3
86.32893	2.2
87.14119	2.4
91.05478	16.8
93.07050	37.9
95.08611	100.0
97.06542	3.4
97.10165	8.8
99.08096	3.4
105.07032	27.7
105.62513	2.6
107.08601	52.2
109.06512	2.6
109.10157	57.0
110.03496	2.3
111.08091	4.5
111.11708	3.0
113.09650	2.6
115.05366	2.2
117.07016	3.0
119.08586	37.8
121.06532	2.3
121.10150	45.8
123.08075	2.6
123.11712	28.8
125.09646	2.9
131.08563	8.9
133.10124	36.0
135.11682	33.5
137.06001	2.9
137.13251	16.4
139.11142	6.0
143.08559	5.9
145.10127	15.3
146.36835	2.1
147.08034	4.1
147.11703	22.4
149.09633	3.6
149.13271	19.9
151.11169	2.7
151.14783	3.3
157.10063	6.2
159.11705	16.1
161.09605	2.6
161.13223	20.6
163.11247	2.7
163.14819	20.8
165.12738	3.9
169.10126	3.2
171.11665	6.4
173.13268	13.4
175.14832	17.0
177.16357	13.4
179.14204	4.5
183.11749	3.0
185.13274	6.4
187.14771	14.5
189.16335	19.8
191.17932	50.4
193.15898	2.5
199.14746	4.3
201.16379	6.0
203.14290	10.5
203.18016	15.5
205.15909	4.8
205.19481	5.6
207.17485	14.7
213.16330	4.3
215.17992	6.5
217.15973	5.1
217.19518	22.4
221.19034	8.3
225.16402	2.3
227.17923	3.4
229.19455	4.1
231.21161	4.0
233.19026	3.0
235.20584	22.7
243.21140	2.9
245.18901	2.5
245.22621	4.5
257.22552	2.8
263.23419	2.7
269.22733	2.7
271.24216	2.3
283.24017	3.3
347.60037	2.5
353.28394	4.4
395.36679	4.4
401.34232	10.9
402.35938	2.9
407.32422	5.4
407.37125	3.7
413.37881	5.2
425.33105	21.9
425.37891	17.6
443.29843	4.6
443.34897	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.1
57.07083	1.3
58.17221	0.9
64.69957	0.9
67.05505	1.5
69.07076	9.7
70.06584	2.9
70.73582	2.3
73.06567	1.4
81.07045	3.3
83.04983	1.5
83.08618	1.7
86.09712	100.0
88.07619	1.7
91.05466	0.9
93.07037	1.8
95.08609	2.8
96.08974	0.8
102.09195	1.2
105.07028	1.2
107.08599	1.9
108.08907	1.1
109.06528	1.5
109.10143	2.2
110.10442	1.0
119.08558	2.2
121.10159	2.2
132.10172	1.6
133.10089	1.7
136.12027	1.0
137.05867	0.9
145.10091	1.1
147.11674	1.1
162.13687	0.9
163.14801	0.9
168.13831	1.1
176.15045	1.1
178.18976	1.1
186.14906	69.2
206.16321	1.0
214.14386	26.8
314.19589	15.0
327.22391	1.1
338.34152	2.6
382.36829	4.8
399.28595	29.6
408.33749	1.7
426.34436	2.8
427.27975	3.0
434.46783	1.1
444.35294	7.6
444.40506	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	445.1109
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
54.65684	2.0
61.02935	2.4
69.03417	2.6
69.70304	11.7
74.14608	1.8
79.05473	2.0
85.02905	8.1
97.02888	4.4
98.97569	5.1
99.41792	1.7
119.78344	1.7
133.75584	1.9
137.05946	4.4
213.94923	2.4
258.20090	1.9
264.57800	2.3
272.16367	2.0
313.73462	2.0
341.25928	2.0
445.11087	100.0
445.17548	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	445.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53952	0.5
55.05497	1.8
56.71741	0.5
62.27489	0.4
65.03937	0.9
65.06248	0.4
66.84451	0.4
69.03416	1.4
69.07066	1.7
70.06601	0.7
71.04983	0.5
71.51432	0.6
72.08150	0.6
81.03417	2.1
83.04990	0.9
83.08624	2.9
84.08144	1.0
85.02896	2.1
85.06507	0.6
86.09698	1.8
86.33211	0.4
89.69833	0.5
91.05482	7.2
97.02895	1.6
97.06524	0.6
101.06015	1.2
105.07018	0.8
109.02886	1.4
109.06515	0.5
109.63602	0.4
111.04433	0.7
111.08092	1.2
119.04954	17.7
119.08529	0.5
127.03930	1.6
129.06992	0.5
129.09126	4.2
135.08055	0.5
137.05969	0.7
145.02875	1.9
147.04422	100.0
148.04807	0.7
165.05515	5.0
177.05470	2.9
181.50778	0.4
237.11395	0.7
247.13217	0.8
265.10751	0.9
265.14319	2.6
291.08673	2.6
309.09741	5.7
348.24579	0.4
359.02930	0.8
373.66824	0.5
416.90622	0.5
445.20267	0.7
445.29227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01873	1.2
57.03442	1.0
61.02918	0.9
69.03439	4.9
69.07063	0.9
70.06573	0.8
71.04981	0.6
71.52543	1.1
72.08140	0.8
73.04738	1.0
78.55058	0.7
79.05494	1.0
81.03416	5.8
81.07057	1.5
85.02913	7.1
86.09695	1.8
87.00829	1.4
91.05476	2.0
93.07032	2.3
95.04941	1.1
95.08594	1.0
96.94653	0.7
97.02905	4.8
99.04460	1.9
103.04806	1.2
103.05476	21.0
105.01884	1.5
105.07028	2.7
107.04991	0.9
107.08597	18.2
109.02857	4.4
109.10184	1.2
111.08086	0.7
119.08572	2.3
121.06510	1.0
121.10180	2.0
123.26997	0.7
127.03942	5.2
127.64008	0.6
131.04935	100.0
131.30444	0.6
132.05257	0.9
133.10135	9.7
134.60063	0.7
135.11719	2.7
137.06018	2.1
143.08591	0.7
145.04916	0.8
145.10168	0.7
147.04422	1.8
147.11722	0.7
149.06030	6.7
151.11180	1.8
158.87747	0.8
161.09669	3.1
163.03957	0.7
163.11182	0.6
167.07086	0.7
167.10715	2.3
179.10686	6.7
197.11743	56.1
198.12181	0.8
213.03925	0.8
217.08577	1.0
231.05133	1.5
231.13823	1.1
247.09663	0.8
275.09091	3.2
293.10217	9.5
293.28662	0.7
323.16922	0.6
445.16962	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	445.1709
Annotation	Manglieside B
Peak:m/z	Relative Intensity
53.03938	2.0
55.01873	1.2
57.03442	1.0
61.02918	0.9
69.03439	4.9
69.07063	0.9
70.06573	0.8
71.04981	0.6
71.52543	1.1
72.08140	0.8
73.04738	1.0
78.55058	0.7
79.05494	1.0
81.03416	5.8
81.07057	1.5
85.02913	7.1
86.09695	1.8
87.00829	1.4
91.05476	2.0
93.07032	2.3
95.04941	1.1
95.08594	1.0
96.94653	0.7
97.02905	4.8
99.04460	1.9
103.04806	1.2
103.05476	21.0
105.01884	1.5
105.07028	2.7
107.04991	0.9
107.08597	18.2
109.02857	4.4
109.10184	1.2
111.08086	0.7
119.08572	2.3
121.06510	1.0
121.10180	2.0
123.26997	0.7
127.03942	5.2
127.64008	0.6
131.04935	100.0
131.30444	0.6
132.05257	0.9
133.10135	9.7
134.60063	0.7
135.11719	2.7
137.06018	2.1
143.08591	0.7
145.04916	0.8
145.10168	0.7
147.04422	1.8
147.11722	0.7
149.06030	6.7
151.11180	1.8
158.87747	0.8
161.09669	3.1
163.03957	0.7
163.11182	0.6
167.07086	0.7
167.10715	2.3
179.10686	6.7
197.11743	56.1
198.12181	0.8
213.03925	0.8
217.08577	1.0
231.05133	1.5
231.13823	1.1
247.09663	0.8
275.09091	3.2
293.10217	9.5
293.28662	0.7
323.16922	0.6
445.16962	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	445.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	26.4
55.05518	5.6
56.96574	5.5
57.15697	4.2
59.85815	4.2
67.05523	8.5
69.03426	18.7
70.06616	6.6
71.04997	4.3
71.51205	6.3
72.08169	5.6
72.93797	5.6
73.02921	35.6
73.04766	26.6
79.05487	14.6
81.03419	11.3
81.04581	4.3
81.07070	10.9
83.01363	12.9
83.04993	11.7
84.08142	5.7
85.02928	31.0
86.09695	4.6
91.05384	7.8
91.05792	38.1
93.07043	11.9
95.04973	12.5
97.02911	18.0
98.97585	9.3
103.05463	8.8
103.07575	4.6
105.07058	16.0
106.77763	4.4
107.04971	32.5
107.08577	4.9
109.02895	10.4
109.06519	15.8
110.39726	4.3
111.04446	22.0
115.05431	6.1
117.07043	11.0
119.04960	11.9
119.64705	4.4
121.02869	5.2
121.06510	52.3
122.07150	19.5
123.04435	4.8
123.08008	20.8
125.05982	4.5
127.03931	11.6
128.06250	5.7
129.06961	11.9
131.04951	11.9
131.08655	4.8
132.95883	9.7
133.06461	29.5
135.04446	9.3
135.08069	6.5
137.05984	69.5
139.03934	7.0
141.06990	4.8
143.08508	7.9
144.98132	4.5
145.06516	49.7
147.04414	13.6
147.08069	16.3
149.04518	4.8
149.05948	11.7
154.07750	5.9
155.07130	6.7
157.06488	19.1
158.97395	15.2
159.08054	26.9
161.05988	10.5
163.07603	8.9
165.05721	4.3
165.07034	9.4
166.58499	5.5
167.05580	17.9
167.06999	7.2
167.08556	6.7
168.95952	5.1
169.06526	7.0
169.09962	4.3
170.50839	5.0
171.08092	21.0
173.06000	21.4
173.09628	9.0
175.07549	15.8
176.98630	5.8
177.09048	5.4
179.08464	7.4
181.06499	18.9
181.10147	5.6
182.07420	6.3
183.08072	16.3
185.09578	6.0
186.96915	7.1
187.07616	8.8
188.31396	4.1
189.09167	4.7
191.08679	7.6
193.05060	5.3
195.08118	23.4
197.06053	10.4
197.09642	12.1
198.96797	6.1
199.07527	18.6
201.09145	21.9
205.10333	4.9
207.08072	18.1
209.06078	7.7
209.09615	11.0
211.07614	9.1
211.11186	5.7
212.98428	5.4
213.09137	15.9
216.97919	6.2
219.08159	9.7
225.04242	10.9
225.09024	21.6
229.08525	7.5
231.08130	9.2
232.08846	5.7
233.09653	11.1
234.98985	42.9
235.07478	6.4
235.11244	4.6
237.09157	5.8
238.99857	5.9
241.08549	5.8
243.10213	11.9
244.08910	6.7
245.09628	11.0
247.07393	5.8
247.11279	11.1
248.08168	5.1
249.09158	12.3
249.12848	7.8
251.10683	5.0
253.08649	12.4
255.10057	8.8
257.00986	6.5
257.09613	5.0
258.10361	8.3
259.11340	5.0
260.12064	4.7
261.09036	5.9
261.12906	5.3
263.10776	9.2
265.12134	9.0
265.14584	6.7
271.09467	25.2
273.11066	11.9
275.10703	12.1
277.12241	21.3
283.10648	7.1
286.09988	6.6
289.12115	5.3
291.13901	12.0
295.13455	5.1
301.00092	6.5
301.12183	17.2
307.13254	10.1
319.13226	30.0
333.14603	7.6
337.14481	34.7
342.99777	6.3
345.14966	10.9
349.14282	7.5
355.15527	26.5
357.02673	16.8
359.02927	35.6
360.99963	7.0
361.14084	5.8
363.15753	6.4
371.06448	8.4
373.14478	9.4
379.15408	14.0
381.16806	7.3
383.04263	21.0
391.15384	30.8
397.16400	12.9
401.05118	10.1
409.16559	100.0
415.17340	6.5
427.03247	40.6
427.17572	56.1
445.17874	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.05515	7.9
56.10879	3.9
62.56762	4.4
67.05514	7.4
69.03420	12.6
69.07061	14.5
69.66443	29.1
71.04971	4.7
79.05495	15.3
81.03441	8.2
81.07081	27.1
83.04981	17.5
85.02884	6.7
86.61028	4.2
91.04971	4.4
91.05486	20.6
93.07066	24.6
95.04960	10.1
95.08627	13.1
97.06525	20.0
98.21492	8.8
99.04461	5.4
105.07040	47.1
107.04955	13.1
107.08603	32.1
108.85632	4.3
109.06557	21.4
117.07008	11.8
119.04959	38.1
119.08585	33.5
121.06520	15.9
121.10091	4.7
125.05997	23.9
127.03948	6.8
131.04144	4.5
131.08553	17.2
133.06535	5.7
133.10139	8.5
139.07538	7.4
141.07097	5.5
143.07031	16.0
143.08496	7.1
144.09384	7.4
145.06479	8.1
145.10132	60.1
147.07999	6.6
147.11659	10.2
149.09648	5.4
151.07576	15.1
157.08647	6.9
159.08049	15.3
159.11742	34.4
161.13263	6.2
163.11194	61.2
165.09109	17.6
168.09480	4.4
169.10100	13.8
171.11700	5.1
173.08305	8.1
173.09653	98.4
173.83847	5.0
187.11156	47.3
187.14789	6.1
189.12741	10.0
191.10680	18.4
197.09682	9.2
197.27498	5.0
205.12273	41.3
215.10709	63.8
215.14285	25.8
215.58652	4.5
223.13263	6.6
233.11763	100.0
251.12790	27.4
269.13943	14.6
344.98529	4.5
445.17987	16.1
445.25748	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	445.2071
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
50.33041	1.6
52.22603	1.5
53.03965	1.9
55.01872	1.9
57.03432	6.1
61.02929	3.5
69.03431	12.9
69.37042	11.4
71.05005	3.1
72.08146	2.4
73.02901	3.2
73.04754	3.8
75.04480	5.3
79.05496	2.0
81.03419	4.6
85.02910	39.5
85.06583	1.7
91.03953	2.3
91.05865	2.8
92.83124	1.8
93.07066	3.7
97.02900	15.3
99.04465	2.2
105.07046	7.8
107.04953	4.3
107.08622	9.4
109.02885	3.3
115.05495	1.7
117.06995	2.7
119.04932	3.4
119.08569	5.3
121.06502	8.0
121.10138	4.4
123.04475	2.1
127.03900	7.9
129.07118	2.1
131.08594	8.2
133.06502	6.2
133.10129	3.1
135.08054	31.9
137.05980	4.9
141.06941	1.8
142.07851	2.0
143.08582	3.8
145.04958	7.7
145.06483	12.1
145.10135	6.8
147.04449	2.8
147.08032	6.2
149.05966	9.4
149.09613	9.2
154.78070	1.8
155.08556	6.4
157.06488	2.0
157.10150	3.2
158.07217	3.8
159.08049	10.0
159.11665	5.2
161.09671	3.1
162.06760	2.7
163.03917	1.8
163.07541	7.8
164.08363	2.1
168.09325	2.7
171.08083	5.2
172.08890	7.3
173.09634	16.2
175.07594	1.9
175.09753	2.9
175.11188	25.8
177.09119	52.2
183.11726	4.2
186.10294	2.5
187.07599	2.1
187.11244	10.0
189.09114	3.0
190.09877	1.9
191.07036	17.1
191.10703	6.5
195.10176	100.0
197.07983	1.7
201.12708	4.7
205.08589	40.0
211.11192	5.1
217.12202	6.2
223.09662	19.2
229.12212	11.8
235.13315	15.3
247.13297	54.6
265.14352	5.5
266.92245	1.5
283.15366	5.8
336.63708	1.7
359.02835	4.4
427.17456	3.2
460.48477	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	445.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.5
55.01866	7.0
55.05495	6.7
57.03428	2.7
59.04985	3.8
65.03940	2.9
67.05501	14.0
69.03428	14.4
69.07067	13.5
71.04982	6.2
71.52270	3.2
79.05492	30.6
81.03404	9.3
81.07055	22.4
83.04990	17.1
83.08590	2.2
85.02898	18.5
85.06529	4.4
91.05458	19.0
93.06564	2.7
93.07056	29.8
95.04972	16.8
95.08608	16.5
97.02872	8.4
97.06525	18.2
98.97579	4.1
99.04434	8.8
103.05458	5.5
105.07040	46.4
106.07278	2.2
107.04955	21.6
107.08588	23.0
109.02876	3.8
109.06499	6.3
109.10133	6.1
111.04507	2.7
111.08068	4.8
113.05982	2.8
117.07016	12.0
119.04952	5.0
119.08608	16.7
121.06514	24.5
121.10149	8.4
123.08050	8.3
123.11710	5.4
125.06008	22.2
127.03906	5.5
128.06178	3.1
129.06963	4.9
130.07803	3.6
131.04919	7.4
131.08548	15.5
133.06516	12.7
133.10120	4.2
135.04419	4.0
135.08026	7.0
135.11676	4.9
137.05963	16.0
137.09544	3.1
139.07527	9.4
141.07022	3.0
143.07034	15.9
143.08562	9.1
145.06444	9.0
145.10120	60.2
147.04433	2.7
147.08008	6.1
147.11642	8.2
151.07538	30.0
151.11189	2.6
154.07759	4.0
155.08583	4.4
157.06433	4.3
157.08615	3.1
157.10107	6.1
158.07213	3.9
159.08040	8.8
159.11700	21.6
161.09550	4.1
161.13254	6.1
163.11180	100.0
165.09099	6.7
166.09471	3.8
167.07019	2.8
169.08598	6.5
169.10159	9.2
171.08060	4.2
171.11685	5.3
173.09625	37.0
173.13213	3.9
175.07533	6.0
175.11253	3.9
177.12672	2.9
179.08540	2.5
183.07986	4.1
183.11646	2.9
185.09607	5.5
187.07564	2.6
187.11182	24.5
187.14728	3.0
189.12744	8.1
191.10655	28.3
195.07977	2.7
197.09622	9.5
199.07507	2.6
199.11108	2.2
201.09076	3.2
201.12585	2.8
201.16345	2.9
203.10532	3.2
205.12274	14.2
211.11208	4.9
215.10706	24.2
227.10687	3.5
233.11720	63.9
245.11708	4.6
251.12805	8.5
257.08524	7.3
261.10788	2.6
263.12897	11.2
269.13748	6.6
281.13834	6.3
313.14227	2.8
329.13992	3.1
341.13690	3.3
364.13474	2.7
445.16391	8.7
445.25656	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	445.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
53.03940	2.6
55.01872	1.8
55.05515	12.2
57.03430	2.0
57.07070	1.3
65.03933	1.7
66.03122	0.8
67.00652	0.9
67.05506	33.2
69.03414	1.0
69.07072	11.6
69.40826	4.1
69.41241	1.7
71.04993	2.5
79.05495	26.9
81.03410	2.7
81.07057	27.7
83.04974	3.3
83.08625	5.9
85.06564	1.5
91.05489	34.7
93.07048	27.0
95.04974	3.6
95.08614	20.0
96.21208	0.8
97.06538	4.0
97.10170	3.4
103.05447	1.3
105.07036	37.2
107.04949	3.0
107.08606	10.5
109.06532	2.4
109.10163	6.7
111.08102	1.1
115.05464	2.3
116.06256	1.1
117.07031	15.7
119.08591	20.9
119.45070	0.9
121.06495	3.5
121.10151	8.5
123.08039	4.4
123.11678	1.6
124.50843	0.8
125.09629	0.9
128.06204	2.8
129.07016	13.8
130.07802	1.7
131.08571	29.6
133.06490	2.4
133.10138	12.2
135.08034	2.8
135.11682	5.0
137.09630	1.4
137.13271	1.1
141.07016	4.2
142.07791	1.5
143.08559	12.0
145.06496	2.4
145.10115	17.9
147.08069	2.5
147.11691	3.4
149.09654	1.9
149.13281	1.7
151.11229	1.3
155.08583	6.4
157.10132	9.8
159.08028	1.1
159.11693	5.4
161.09663	1.8
161.13297	1.7
163.11137	1.0
165.07120	0.9
165.09052	0.9
165.61386	1.0
167.08557	2.3
169.10118	5.8
171.08063	0.9
171.11688	5.6
173.09619	1.1
173.13240	3.7
177.12683	1.1
181.10121	3.3
183.11734	3.1
183.19858	0.9
185.13281	3.2
187.11250	1.4
187.14810	2.9
189.12820	1.0
195.11723	2.9
197.13235	4.2
199.14841	3.0
201.12738	1.5
201.16327	1.2
203.14397	0.9
205.12381	0.9
207.11829	1.2
209.13373	2.4
211.14838	2.2
213.12753	1.3
213.16501	0.9
215.14320	1.3
223.14867	2.4
225.16391	1.5
229.15889	1.1
233.15469	1.4
237.16403	1.0
247.17017	2.4
255.17514	1.0
259.16989	1.2
261.18607	1.7
273.18549	1.5
312.46881	0.8
325.25250	2.4
335.23639	3.4
343.26294	2.8
353.24756	10.1
359.03024	0.9
371.25848	13.1
382.05051	0.9
389.26904	13.7
427.28561	2.9
445.29474	100.0
446.29636	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03648	1.0
55.05515	10.2
57.07080	6.9
67.05491	3.3
69.07072	18.1
69.10038	1.0
69.78529	0.9
69.78980	0.9
71.04975	1.4
71.08635	2.5
79.05493	1.6
79.57174	1.0
81.07069	7.2
83.04996	1.0
83.08614	12.1
83.83929	1.0
85.10181	1.2
91.05439	1.7
93.07043	5.1
95.08617	7.3
97.10178	5.0
105.07025	2.2
107.08590	4.5
109.10161	7.4
111.11703	2.9
115.65624	0.9
117.07042	0.9
117.17455	1.3
119.08564	3.0
120.57269	0.9
121.10130	2.0
123.11710	2.4
131.08562	1.4
135.08051	2.8
135.11673	1.8
137.09645	8.3
139.07507	1.4
145.10147	1.3
149.09637	12.6
149.13245	2.2
157.10158	1.2
159.11684	1.3
161.09596	1.9
163.11182	6.7
165.09125	100.0
171.11671	1.0
173.09526	1.8
173.13205	1.1
175.11166	2.5
177.09140	4.6
177.13043	1.0
187.11270	1.2
189.09120	2.3
189.12782	2.3
191.10651	5.3
199.11172	2.2
201.12688	2.4
203.10684	4.4
203.14252	2.2
205.12299	9.4
217.12212	2.5
219.13829	2.2
231.13824	2.8
335.60013	1.2
345.27701	3.1
371.29507	1.1
387.16052	1.8
388.16541	1.1
401.17804	2.0
409.35080	1.2
415.15402	3.1
417.20877	1.3
427.35666	11.5
429.16946	2.3
430.17731	5.1
445.20157	46.4
446.20746	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	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77316	1.0
55.05518	15.9
57.03444	1.2
57.07077	9.7
67.05505	4.8
69.07068	35.2
71.08645	3.5
71.53347	1.2
76.89303	1.0
79.05504	2.2
79.20152	0.9
81.07056	15.1
81.87965	0.9
83.08619	16.9
85.10208	2.4
91.05510	1.9
93.07080	4.1
95.08614	10.4
97.10177	10.9
105.07059	2.3
107.08640	4.2
109.10158	8.7
111.11732	7.7
119.08635	3.4
121.06589	0.9
121.10178	2.3
123.11736	3.6
124.31364	0.8
125.13327	2.5
131.08568	1.3
133.10127	2.0
135.08102	2.9
135.11737	1.2
137.09605	8.3
137.88741	0.9
139.00316	1.0
139.07582	2.9
145.10176	1.9
146.75851	1.0
149.09621	9.6
149.13260	1.0
151.07558	2.3
153.09103	2.1
157.10176	1.1
159.11758	0.9
161.09625	1.2
163.11203	6.4
165.09123	100.0
173.09770	1.2
175.11261	3.5
177.09160	7.9
177.12790	1.4
179.10815	1.4
181.08740	3.1
183.08534	1.1
187.11220	2.2
189.09206	3.6
189.12848	2.0
190.09964	1.4
191.10686	8.4
199.11221	1.5
203.10646	7.5
203.14461	1.3
205.12250	12.1
211.48595	0.9
212.09369	0.9
217.12233	2.1
219.13940	3.5
231.13893	2.2
245.15639	1.7
265.07739	1.1
275.20337	1.5
335.43851	1.2
345.28043	3.2
366.48181	1.1
371.29379	1.6
372.22620	0.9
387.16144	1.6
399.32782	2.1
401.17801	1.7
402.18848	1.6
409.34866	1.0
416.16129	1.7
417.21436	2.4
427.35776	22.0
429.17346	2.6
430.18039	3.7
445.20496	33.7
445.37128	10.0
446.21143	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05576	0.4
55.05514	10.0
57.07077	5.1
58.75801	0.4
67.05506	4.7
69.03439	0.6
69.07071	18.7
71.08636	2.0
79.05505	1.2
81.07060	8.2
83.04991	1.0
83.08625	10.6
85.06549	0.7
85.10165	0.7
88.80429	0.4
91.05499	1.3
93.07035	2.6
95.04993	0.5
95.08612	7.6
97.10170	5.4
105.07037	2.6
107.08612	3.3
109.10165	7.0
111.04403	0.6
111.08041	0.6
111.11735	2.3
115.03601	0.4
117.07023	0.6
119.08605	3.0
121.06522	0.8
121.10170	2.7
122.07287	1.3
123.08054	1.3
123.11707	2.6
125.13253	1.0
131.08563	1.0
133.10127	1.3
135.08054	2.8
135.11693	2.3
137.09627	8.4
137.13254	1.1
139.07542	1.6
145.10149	1.3
147.04353	0.4
147.11649	0.6
149.09631	8.6
149.13242	0.7
151.07539	0.9
153.05424	0.4
157.10179	0.7
159.08025	0.7
159.11707	1.2
160.08852	0.5
161.09605	0.5
163.07520	0.6
163.11186	9.4
163.14771	0.7
164.68028	0.4
165.05481	3.6
165.09120	100.0
166.09433	0.7
173.09607	1.3
173.13228	1.3
175.07541	0.5
175.11194	3.4
176.08344	1.1
177.09105	5.8
177.12749	1.3
179.10704	1.3
181.08659	1.0
185.09760	0.4
186.10352	0.5
187.11157	1.1
188.11989	0.5
189.09091	2.3
189.12747	1.8
190.09932	0.9
191.10670	5.7
199.11125	2.5
201.12750	1.3
203.10672	4.1
203.14308	1.4
205.12241	7.0
215.14377	1.0
217.12259	1.1
219.10258	2.4
219.13806	2.4
221.11653	1.1
228.05843	0.4
229.12349	0.4
231.13737	0.8
233.15343	0.7
237.11218	3.0
245.15390	0.8
275.27246	0.4
287.16461	2.2
289.21588	1.3
305.17355	1.2
343.22549	1.2
345.27573	0.6
359.22083	0.7
377.23230	3.2
378.60684	0.4
386.14853	0.6
387.15891	1.2
401.17456	0.6
415.15231	2.0
417.20679	0.7
417.33127	0.5
423.56570	0.5
427.35669	5.3
429.16949	0.8
430.17682	1.9
445.20059	18.5
445.30789	0.6
445.36737	11.5
446.20502	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.368
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
53.03889	1.1
55.01825	1.2
55.05441	5.4
55.05730	0.8
57.03368	1.5
57.07000	1.6
59.50622	0.5
60.40469	0.5
65.03889	0.9
67.05421	7.6
67.05807	1.0
69.03366	1.0
69.06984	13.2
69.07404	1.5
71.04913	0.8
71.38400	0.6
79.05405	6.6
81.03339	0.9
81.06968	15.0
81.07473	1.1
83.04897	1.3
83.08524	4.9
85.02811	0.6
85.06496	1.2
91.05479	7.3
93.07048	22.8
93.07574	1.3
95.04910	1.0
95.08612	28.1
95.09163	1.7
97.02818	1.2
97.06432	2.6
97.10178	7.9
101.05920	0.9
105.07034	14.0
105.20694	0.6
107.08600	38.6
109.02804	0.6
109.06458	0.7
109.10165	18.3
111.08009	1.3
111.11671	1.3
113.09529	1.5
117.06920	1.9
119.08588	20.0
121.10149	27.1
121.10980	0.9
123.08019	0.9
123.11719	5.6
125.09668	2.6
131.08595	4.9
133.10147	17.0
135.08026	1.1
135.11702	22.3
135.79756	0.5
137.13144	2.4
139.11188	6.9
142.07751	0.6
143.08452	2.3
145.10135	13.4
147.11687	13.4
149.09563	1.1
149.13271	5.9
151.11182	0.7
151.14713	0.5
153.12764	5.6
157.10187	2.8
159.11703	18.6
159.21774	0.6
161.13268	10.6
163.11125	1.7
163.14832	27.1
165.07744	0.5
165.12677	0.8
165.16342	0.8
169.10085	0.9
171.11693	3.6
172.12334	0.8
173.13293	8.0
175.14853	7.2
177.12675	1.2
177.14984	0.5
177.16388	3.6
179.14235	2.2
181.15884	21.0
183.11554	1.7
185.13237	3.2
186.13913	0.7
187.14841	11.9
189.16342	4.4
191.14233	1.5
191.17917	5.7
197.13193	1.7
199.14731	2.1
201.16393	31.2
201.18266	1.5
203.17970	27.1
205.15793	1.4
209.15317	1.4
211.14717	1.8
213.16402	5.9
215.17950	5.0
217.19518	0.9
219.17451	35.8
221.18927	1.8
225.16299	2.6
227.16107	0.7
227.17996	7.0
229.01596	0.8
229.19580	4.8
231.21042	0.7
233.18910	0.8
236.10101	0.7
237.18521	18.4
239.17880	1.9
241.19414	1.9
244.65840	0.6
245.18990	0.9
247.20569	2.9
253.19548	3.2
255.21179	0.9
257.22662	1.1
261.22003	0.8
267.21103	2.7
271.23981	0.7
272.15125	0.6
281.22540	1.7
283.24200	3.7
295.24213	0.8
349.28998	1.1
369.31509	2.3
387.32605	2.9
391.33633	12.1
409.34680	100.0
410.35019	1.8
427.35776	25.6
430.17023	0.6
445.20422	2.9
445.36807	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	445.3678
Annotation	Topsentisterol A2
Peak:m/z	Relative Intensity
55.01871	3.5
55.05516	6.2
57.07076	8.6
60.02753	0.9
67.05501	3.1
69.07071	7.2
70.81628	1.1
70.81953	1.5
71.08624	6.9
79.05500	4.7
81.07073	8.8
83.01315	0.9
83.04987	1.1
83.08629	5.6
85.10178	4.2
91.05499	5.2
93.07046	5.4
95.08614	4.8
97.10183	3.7
105.07032	7.6
107.08591	4.5
108.92162	0.9
109.06527	12.3
109.10143	3.1
111.08074	2.1
111.11716	1.8
119.08605	2.7
121.06548	1.0
121.10115	1.2
123.08115	5.3
123.11692	1.1
125.05997	23.6
133.06488	11.8
133.10081	1.6
135.08031	5.4
137.05984	70.2
137.09612	1.6
139.07544	3.5
143.08627	0.9
149.05933	1.3
149.09630	1.6
151.07552	25.2
153.09143	1.8
161.05997	12.8
161.09685	1.5
161.13336	1.4
163.07556	1.5
165.09102	5.0
167.07024	3.0
171.11780	1.0
173.09760	1.0
175.07570	0.9
175.11221	2.4
177.09111	1.4
177.12804	1.3
179.07042	81.0
189.12746	1.6
193.08652	1.3
203.14291	1.9
205.12320	1.4
207.13791	1.5
231.13947	1.1
291.19922	1.1
305.21216	1.3
330.30359	1.0
364.69995	1.1
385.34805	1.6
399.36252	5.8
403.35794	1.9
417.37476	9.9
427.35861	3.6
445.36810	100.0
446.37128	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
53.03944	2.6
54.46089	0.9
55.05514	9.3
57.07064	1.7
63.48275	1.0
67.05512	13.0
69.03435	1.8
69.07075	17.5
70.08310	4.1
71.04995	2.0
79.05497	11.5
80.77374	1.0
81.03434	1.8
81.07061	20.2
83.04984	2.6
83.08611	5.9
85.06563	3.0
90.67364	1.0
91.05480	14.1
93.07050	27.7
95.04974	2.0
95.08617	35.9
97.02909	1.7
97.06532	4.1
97.10194	6.1
99.04449	1.2
105.07038	17.4
107.07880	2.4
107.08599	41.4
109.06491	1.8
109.10165	21.6
111.08093	2.0
111.11742	1.3
115.05463	1.6
117.07018	4.5
119.08591	24.7
121.10149	26.8
123.07950	1.1
123.11704	6.3
125.09626	1.8
129.07025	2.9
131.08545	9.4
133.10139	17.2
135.11700	21.9
137.13255	2.4
139.11209	7.0
143.08574	4.5
144.09312	1.1
145.10115	16.0
147.11691	12.0
149.09633	2.2
149.13251	7.0
151.11165	1.2
153.12758	6.0
157.10129	5.0
158.24066	1.4
159.11707	16.4
161.09631	1.5
161.13274	11.9
163.11128	1.7
163.14830	27.7
165.12724	1.5
169.10086	2.7
171.11685	2.2
173.13292	6.9
175.14844	6.4
177.16396	5.0
179.14352	4.1
181.15878	18.5
183.11700	1.5
185.13309	4.1
187.14816	11.0
189.16402	4.8
189.80493	1.2
191.17932	6.2
197.13339	2.2
199.14877	1.6
201.16396	32.4
203.17973	28.9
205.15904	1.3
207.17520	1.1
209.11792	1.3
209.15456	1.1
211.14766	1.6
213.16386	5.6
215.17970	2.8
219.10306	1.3
219.17445	34.7
221.18936	2.3
225.16304	2.6
227.17926	6.2
229.19537	4.3
231.13895	1.3
237.11171	1.3
237.18512	19.6
241.19582	2.7
243.21152	1.3
245.19016	1.2
247.20578	3.4
253.19545	4.0
255.21094	1.7
257.22614	2.3
265.21677	1.2
267.21158	3.0
281.22604	2.7
283.24149	5.1
287.16382	3.5
305.17453	1.6
353.24933	1.6
359.22076	4.8
369.31577	5.0
371.25827	3.5
387.32574	6.7
389.26959	2.3
391.33643	9.8
409.34677	100.0
410.35031	2.4
427.35712	26.1
445.20370	2.2
445.22867	1.2
445.29517	15.6
445.36749	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	446.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01876	11.4
55.05530	2.6
67.05502	2.8
69.03433	7.6
69.07056	4.4
70.06594	4.5
70.39793	4.3
70.40182	3.9
71.04983	15.2
79.05491	24.0
81.03422	5.7
81.07053	9.3
83.05009	3.1
85.02898	8.9
88.03997	3.9
91.05495	13.7
93.07043	7.5
95.04958	14.1
95.08598	6.6
96.94791	2.2
97.02896	6.4
97.06564	11.6
99.04470	13.0
103.05470	12.8
105.07030	28.6
107.04959	50.2
107.08609	16.2
108.08936	4.5
109.02891	3.5
109.06524	4.4
111.04432	5.0
113.05999	4.7
115.05470	2.3
117.07034	6.0
119.04961	14.7
119.08575	6.0
120.29637	2.2
121.06513	5.8
123.04443	3.5
123.08078	4.8
125.06002	3.7
128.06229	9.6
129.06995	13.8
131.04933	27.7
131.08559	5.0
132.05237	2.7
133.06497	15.6
133.10133	18.6
134.10475	3.3
135.04413	42.1
135.05421	3.3
135.08040	2.5
137.05983	14.9
141.05493	5.1
141.06970	2.9
142.07753	11.0
143.07007	3.1
143.08566	19.5
145.10091	10.5
147.04445	9.7
147.08041	3.0
149.05988	8.9
151.07613	2.7
151.11137	3.3
152.06239	3.2
153.05481	3.0
157.06477	3.5
157.10139	22.1
159.06528	12.7
159.08041	6.7
159.11670	6.2
161.05969	4.0
161.09630	24.2
163.11250	3.1
165.06953	2.2
167.08554	9.8
169.08659	15.5
169.10016	3.3
170.07254	2.9
171.08038	21.6
175.07597	3.1
179.03429	4.7
179.10661	14.1
185.09628	61.0
187.11240	9.5
189.09111	24.2
195.08076	3.8
197.11758	24.4
198.12080	25.6
203.10684	20.2
207.10258	2.9
213.09105	54.9
221.11716	4.3
225.11208	7.8
231.10167	64.3
231.13765	3.8
249.11232	100.0
254.84206	2.2
267.12271	19.4
343.03510	2.4
403.03162	2.4
446.11038	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	446.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.0
55.05516	5.8
57.03424	5.2
63.08238	2.5
67.05503	2.8
69.03428	20.1
69.07053	4.2
70.06595	3.3
71.04979	11.7
71.52363	4.1
72.08134	3.1
73.02915	4.3
74.21462	2.4
79.05485	4.3
81.03419	6.2
81.07050	7.9
81.11353	2.8
83.04976	11.9
85.02921	16.6
86.09682	5.3
91.05463	14.4
93.07034	8.0
95.08588	9.9
97.02888	10.7
97.06531	6.9
99.04455	3.5
101.29797	2.7
103.05489	3.2
104.59155	2.5
105.07052	22.6
107.04973	5.1
107.08569	5.2
109.06509	2.8
109.10172	2.9
111.04465	2.4
115.05460	4.1
117.07014	5.1
119.04933	6.0
119.08573	27.7
120.05292	3.3
121.06467	3.2
121.10081	6.6
125.06068	3.7
127.03928	4.8
128.06245	14.3
129.07019	11.4
130.07793	4.9
131.04912	11.3
131.08556	9.3
133.10138	13.8
135.08035	5.8
135.11732	2.5
137.06004	2.9
140.37610	2.7
141.06975	6.5
142.07776	20.1
143.08580	26.0
145.02885	2.7
145.05019	4.3
145.06400	3.0
145.10123	30.6
147.04414	39.6
147.08026	7.3
147.11682	10.1
148.04744	19.3
152.01630	17.0
152.86024	2.4
155.08534	12.2
156.09375	17.8
157.10123	52.7
159.08099	5.9
159.11668	11.9
161.09599	7.6
161.13234	6.0
163.07526	6.3
167.10641	3.4
169.10175	3.3
170.10890	29.6
171.08044	3.4
171.11699	9.8
172.08842	3.5
173.09596	6.6
173.13168	3.4
175.14792	15.9
177.05482	5.2
177.09009	3.3
177.40472	2.4
178.05780	5.7
180.09305	2.4
185.13263	100.0
185.14902	5.6
187.11168	10.6
187.14842	5.7
189.09114	3.4
189.12732	7.4
195.11743	6.2
198.10335	5.8
203.14310	79.2
213.12770	29.7
221.15395	18.3
231.13809	44.6
249.14925	19.2
263.25162	2.8
266.14557	3.5
309.36667	2.9
312.86026	3.9
313.56146	2.7
358.82904	2.7
428.17136	4.0
446.18057	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	447.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48425	1.3
52.57214	1.5
53.03937	3.7
55.01871	4.8
55.75488	1.6
57.03431	2.3
61.02915	2.2
61.80149	1.4
65.20862	1.4
67.05496	7.2
68.16183	1.3
69.03428	16.7
69.07047	2.0
69.41101	10.5
71.01355	8.8
71.04984	2.0
73.02926	2.0
79.05489	11.8
81.03417	16.1
81.07056	8.6
83.08646	1.4
85.02905	18.9
87.00827	7.2
91.05471	9.2
93.07041	29.8
95.04965	12.1
95.08601	6.5
97.02907	16.1
99.04445	3.4
105.01882	9.1
105.03357	1.7
105.07012	3.5
107.04945	4.3
107.08589	13.0
109.02874	11.3
109.06551	2.0
111.08080	4.8
113.65061	1.4
115.05446	3.5
117.07016	13.5
119.08628	4.3
121.10117	3.0
125.02354	8.0
127.03920	21.0
129.01889	1.6
133.10095	2.3
135.08057	45.7
137.09625	20.8
139.03938	3.3
141.88896	1.7
145.04929	7.5
145.06494	2.7
147.04398	6.5
153.09105	15.5
159.02907	3.2
163.07547	53.9
179.07051	4.2
181.08597	100.0
193.12218	3.1
199.09656	18.4
199.11345	2.3
199.13391	2.4
211.13208	2.0
213.03923	3.1
216.71906	1.6
231.04955	4.9
245.11635	1.5
267.15881	2.4
271.06076	3.2
285.16953	2.1
289.10556	2.7
359.06226	1.8
375.10947	1.6
403.36157	1.6
411.12885	16.5
429.13828	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	447.1652
Annotation	Tiegusanin M
Peak:m/z	Relative Intensity
53.03942	1.2
55.01869	1.0
69.03443	1.6
69.53622	0.8
69.56831	5.1
74.06078	2.2
79.05492	1.9
81.03423	2.3
81.07051	1.7
85.02911	3.9
90.61634	0.7
91.05479	1.6
93.07053	0.8
95.04955	1.1
97.02911	1.8
100.53947	1.0
103.03967	1.3
103.05480	31.8
105.07056	2.3
107.04918	1.2
109.06524	1.5
121.06533	0.9
123.04417	0.9
127.03918	1.2
128.06175	1.1
129.06989	1.5
131.04945	100.0
133.06503	3.7
137.05998	14.7
147.04427	1.8
149.05991	4.9
151.07550	1.5
152.34691	0.7
157.06502	1.5
159.89357	0.8
161.06010	12.1
163.03929	0.8
165.05496	14.6
173.06075	1.4
175.07484	1.8
177.05482	1.6
179.07045	3.7
185.06024	4.9
189.05473	2.4
191.07112	1.9
199.07524	1.8
203.07059	8.0
221.08095	1.8
227.07088	2.1
233.08144	4.5
245.08119	4.9
263.09106	4.5
263.54758	1.0
275.09137	1.9
281.10181	1.1
293.10153	3.5
411.14224	1.1
447.17465	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2019
Annotation	Platyphyllonol-5-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
53.03955	5.9
54.50788	1.2
55.01861	4.1
55.05511	3.6
57.03436	2.2
65.03938	1.4
67.05511	7.1
68.25098	1.1
69.03446	7.2
70.63879	2.5
70.64245	2.2
73.02940	1.5
75.04472	1.4
77.03905	1.8
79.05490	10.4
81.03004	1.7
81.03438	16.1
81.07060	9.6
83.04985	2.8
85.02911	7.6
86.09678	1.3
91.05479	17.0
93.06487	2.0
93.07059	36.3
93.07643	2.2
95.04960	5.7
95.08614	11.7
97.02882	4.3
97.10181	2.4
98.20802	1.2
99.04457	3.7
103.05473	4.1
105.07045	9.4
107.04961	5.4
107.08614	7.7
109.02901	6.4
109.06513	2.9
109.10166	11.4
111.08023	1.1
115.05427	2.7
117.07014	2.5
117.17878	1.1
119.04952	2.9
119.08612	10.7
121.06514	37.5
121.10155	35.0
121.11046	1.7
123.04354	1.3
123.08127	2.8
124.65877	1.1
125.09650	1.9
127.03926	15.4
128.06267	3.0
129.07010	1.7
131.04951	3.0
131.08569	4.1
133.06517	5.8
135.04460	1.7
135.08060	4.4
137.05989	16.8
137.09613	2.8
141.06949	1.4
145.06494	4.6
145.10130	1.7
147.04416	6.0
147.08049	1.6
147.11693	2.1
149.05995	100.0
149.09630	12.5
151.07545	3.3
155.08568	1.7
157.10077	1.5
159.08047	2.6
161.06003	17.7
161.09515	2.3
163.03931	2.9
163.07552	6.0
165.05495	21.8
167.07074	17.0
171.04471	1.5
171.08096	3.1
173.06009	10.3
173.09656	3.1
174.06744	3.5
175.07553	8.9
176.08641	1.2
177.05525	5.4
177.09109	1.4
179.07030	2.6
185.05946	2.7
185.09727	1.4
187.07565	13.9
188.08231	1.5
189.05568	4.5
189.09128	32.1
191.07040	6.0
197.09633	1.3
199.07541	3.0
201.05531	2.1
201.09134	9.2
203.07051	8.0
203.10686	2.6
205.08603	5.6
207.10173	8.5
211.07605	1.9
211.11128	2.6
213.09143	3.2
215.07025	5.3
215.10779	1.7
217.08585	2.2
227.07089	2.3
227.10652	3.5
229.08641	7.6
229.12247	7.8
231.10223	3.2
233.08180	1.2
239.14253	3.6
243.10179	1.6
243.13797	1.6
245.08183	3.9
247.09686	4.7
247.13417	1.4
251.12880	2.0
255.10201	1.5
255.13687	1.4
257.08145	3.0
257.15411	17.6
263.09079	2.2
267.13812	4.0
275.09171	2.3
275.16556	2.5
285.14871	32.1
293.10519	1.2
297.11288	1.8
303.05197	5.8
303.15936	21.7
309.14716	1.5
315.12152	3.8
331.15201	2.0
344.80142	1.2
365.17343	1.9
369.16855	3.4
393.17004	4.1
411.18149	8.5
429.19272	14.0
447.20126	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	447.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
56.04800	0.9
56.05042	11.5
56.45807	0.7
57.03408	1.0
58.06601	5.7
61.32891	0.8
67.05481	0.9
69.03422	2.1
69.07067	1.8
70.06584	1.7
71.52400	0.8
72.08158	12.6
74.06085	29.5
79.05507	1.1
81.03426	1.1
81.07047	2.2
83.08625	1.3
84.04516	9.2
84.08132	1.5
85.02885	2.8
86.06077	3.4
86.09712	51.4
87.05581	1.1
88.03997	4.3
90.36053	0.7
91.05477	0.8
93.07045	0.9
97.02901	1.2
98.09691	2.6
100.07601	0.9
101.07149	27.1
103.05490	1.0
105.07013	1.1
107.08563	0.9
109.06493	1.0
110.09715	0.9
118.08665	7.3
119.04948	0.8
119.99404	0.6
121.06516	0.6
126.09145	1.9
126.12788	2.5
127.03938	1.1
127.08679	3.6
128.10738	0.6
137.05969	1.9
142.08638	1.0
142.12279	11.4
143.11803	8.4
147.04439	4.4
149.02373	0.7
152.07097	5.4
163.03871	1.4
163.07541	1.3
164.07072	0.9
165.05499	0.9
169.09738	1.3
169.13329	1.6
170.60066	0.6
173.09219	2.4
173.12997	0.8
177.05533	0.7
183.11249	1.6
186.21785	0.7
187.10872	9.1
187.14430	100.0
197.12813	1.1
198.07629	2.7
201.12376	2.3
215.10339	3.8
215.13919	37.3
226.05699	0.7
229.11885	2.7
231.13770	0.8
233.11339	35.7
247.12994	0.6
312.15533	0.9
330.16592	18.1
346.19824	1.6
429.23416	1.0
447.17776	4.4
447.24139	1.9
448.24905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2507
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
53.03959	0.9
55.01873	9.8
55.05510	28.2
56.10111	0.9
57.03437	37.3
57.07078	9.9
59.81030	0.8
61.43587	0.8
67.05507	8.2
69.07069	29.6
71.08626	4.7
71.53105	1.1
73.02922	1.2
79.05487	6.1
81.07053	9.9
83.04971	1.4
83.08147	1.7
83.08615	20.0
85.10159	2.0
91.05474	1.7
93.07048	7.6
95.08607	8.2
95.95864	0.8
97.06529	1.7
97.10169	16.7
98.98465	52.6
105.06989	0.9
107.08588	3.6
109.10147	2.5
110.45156	0.9
111.04379	0.9
111.08123	1.3
111.11700	3.0
119.08554	1.5
121.10152	6.5
123.11671	2.4
131.08574	1.1
133.07518	1.0
133.10080	1.0
135.11699	3.8
136.99992	56.4
137.13258	1.4
149.13272	1.1
155.01038	38.3
159.11662	1.1
173.01340	0.9
177.01529	1.1
178.02559	1.7
181.15881	0.9
193.02626	9.3
211.03619	8.1
219.21123	1.3
220.17764	1.4
237.22147	9.9
265.04648	1.3
293.24692	1.6
309.65839	1.0
311.25787	43.9
411.35297	4.5
429.36530	1.2
447.25064	100.0
448.25632	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80376	1.1
53.03712	1.3
53.03943	7.6
55.01856	5.2
55.05272	1.7
55.05514	21.4
57.03436	9.5
57.07065	2.2
60.92428	1.3
65.03933	3.9
67.05509	45.5
69.03423	3.8
69.06797	1.0
69.07072	10.9
70.09564	4.7
71.01335	1.8
71.04980	4.0
73.84550	1.4
74.06026	1.7
74.09732	1.7
76.55966	1.2
79.05494	42.4
81.03422	54.4
81.07053	28.7
83.04986	9.7
83.08616	16.6
85.02892	2.1
85.06532	3.8
91.05480	40.5
93.07043	45.6
95.04971	31.4
95.08611	16.8
97.02878	1.9
97.06530	7.6
97.10172	13.7
105.07040	25.8
105.50560	1.3
107.04964	12.0
107.08602	26.1
107.92007	1.3
109.02940	1.7
109.06504	5.0
109.10159	7.2
111.04379	2.0
111.08065	5.1
115.05481	2.9
115.07458	1.3
117.07017	11.4
119.04935	1.8
119.07844	1.5
119.08599	18.6
121.06510	7.9
121.10131	10.4
123.08041	4.2
125.09644	7.1
128.06169	1.3
129.07027	9.0
130.07719	1.4
131.04926	2.6
131.08549	12.4
133.06479	3.9
133.10126	9.5
135.08054	4.2
135.11693	29.9
137.05968	2.1
137.09598	4.0
141.06938	2.4
142.07777	1.7
143.08565	6.1
145.06488	5.3
145.10143	9.9
147.08069	5.3
147.11684	5.6
149.02361	2.8
149.09602	6.3
155.08514	2.2
157.10149	10.2
159.08035	2.9
159.11655	3.4
161.09627	2.6
163.11189	8.2
165.09108	3.0
169.10129	3.5
171.11737	2.1
173.09654	2.0
173.13295	1.7
175.11226	7.8
181.12250	5.6
183.11694	3.5
185.13213	4.1
187.11246	1.7
189.11243	3.1
189.12842	1.7
191.10701	1.4
193.12259	24.3
195.11516	1.5
197.13281	1.8
199.11278	1.4
199.13284	2.0
201.12755	3.1
203.14326	3.7
205.12270	1.5
209.13341	1.5
211.11111	1.4
217.12282	1.4
223.82346	1.2
225.12846	1.4
227.12740	2.0
231.13853	1.5
249.14888	3.7
257.15234	1.6
271.91290	1.2
300.40945	1.2
311.20001	1.3
327.23141	1.7
329.21127	2.6
334.30768	1.2
337.21555	5.3
341.55475	1.5
345.24100	1.4
355.22681	11.6
358.12671	1.3
373.23740	7.4
391.24899	1.9
403.24722	8.0
429.26385	13.4
447.27414	100.0
448.28119	1.6
458.59222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3837
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
52.06855	3.0
55.05513	34.4
57.07078	52.6
59.63972	3.2
60.50492	2.6
63.20715	3.1
67.05511	28.7
69.06735	4.3
69.07074	66.4
71.08636	31.6
71.18674	6.2
79.05482	11.5
81.07063	30.6
82.81190	3.2
83.04977	9.4
83.08633	42.6
85.06558	4.3
85.10162	15.1
89.10641	3.2
91.05466	10.1
93.07050	24.2
94.54725	2.9
95.08614	46.9
97.10165	26.3
99.11703	4.1
105.07030	11.5
107.04993	3.7
107.08603	31.7
109.06526	9.5
109.10181	25.8
111.08068	12.5
111.11710	17.0
114.16513	2.9
119.08597	19.6
121.10149	25.5
123.08078	24.1
123.11703	9.3
125.09622	5.3
125.13292	8.3
131.08582	5.7
133.06462	4.1
133.10121	10.0
135.08055	9.8
135.11703	15.5
137.09624	100.0
137.13254	4.1
139.07538	15.5
141.09109	16.3
145.10077	8.6
147.11746	4.2
149.09618	13.6
149.13228	7.0
151.07524	14.3
159.11674	4.8
161.13170	3.6
163.11188	3.9
163.14809	3.9
165.09163	3.8
167.07079	6.8
169.08603	68.7
172.63496	3.4
173.13223	8.6
177.12738	7.5
177.16388	4.3
181.08568	5.6
191.14209	5.5
205.12300	4.3
209.15286	3.7
223.13312	4.7
278.31427	3.5
279.19131	4.3
315.83313	3.6
321.24414	3.9
377.30173	6.4
383.36603	6.0
385.38269	5.1
386.45731	3.7
390.05435	4.0
401.37814	30.6
403.39343	29.4
419.38843	6.9
429.37399	24.5
447.38345	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3836
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
50.01630	1.6
55.05516	50.0
57.06792	4.1
57.07079	71.2
61.65239	1.6
67.05504	7.1
68.04518	1.7
69.07074	100.0
71.08638	61.6
71.11807	2.9
79.05509	3.1
80.58359	1.8
81.07076	13.4
83.08624	68.2
85.10191	36.9
91.05503	3.6
93.07050	4.2
95.08620	7.7
97.10175	63.0
99.11745	3.9
105.07051	3.3
107.08611	7.4
109.10168	4.6
111.11726	51.0
111.12453	3.6
113.13269	2.6
119.08591	3.4
120.61733	1.9
121.06541	6.2
121.10178	2.3
123.08062	2.1
123.11713	1.7
125.09645	2.0
125.13293	19.7
135.08112	11.6
137.09639	8.3
138.06795	2.3
139.07555	27.4
139.14804	4.8
145.10184	2.3
149.02347	46.9
149.09637	7.1
151.07527	17.4
153.09120	16.3
153.16376	3.0
159.11758	2.7
163.07542	6.4
163.11189	3.0
165.09126	64.2
166.06236	3.3
167.03419	6.2
167.07114	3.4
169.08653	13.1
177.09116	9.0
179.10695	6.1
181.08582	37.3
191.10625	8.9
205.12250	7.1
429.37292	20.6
447.38406	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
56.05044	0.3
57.03441	0.2
61.61612	0.2
65.03935	0.5
69.03425	0.8
69.07078	0.3
70.06591	0.7
71.04990	0.4
71.51555	0.3
72.08151	0.7
74.06093	0.6
81.03415	1.0
84.04498	0.4
84.08142	0.5
85.02906	1.2
86.09712	1.9
87.10051	0.3
91.05483	6.4
97.02914	0.6
99.04473	0.3
101.07177	0.7
104.25736	0.2
107.04948	0.6
109.02871	0.3
117.03393	0.3
119.04949	19.0
127.03916	0.4
135.04451	0.8
136.07553	0.2
137.05980	0.6
145.02852	0.8
145.04977	0.5
147.04419	100.0
148.04710	1.1
152.07130	0.3
163.03929	6.6
164.07094	2.0
165.05469	1.4
177.05515	0.5
177.12952	0.3
181.04953	0.3
187.10956	0.4
187.14444	1.7
188.14796	1.7
189.09158	0.5
204.06644	0.7
215.13924	0.6
216.14270	0.8
233.11546	0.8
234.11713	0.4
251.08954	0.3
251.12741	0.4
269.10269	0.9
269.13885	0.3
286.16702	0.4
296.72751	0.3
305.14902	0.6
309.09769	2.2
325.09140	0.4
331.16986	0.7
448.19611	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	448.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64289	0.4
53.03955	0.5
55.01878	0.6
55.05483	0.5
56.96570	4.4
57.03440	1.3
57.96165	0.3
59.13100	0.3
61.02927	2.5
69.03435	3.8
69.07083	0.8
70.06604	0.4
71.04995	0.4
71.51491	0.3
72.08164	0.5
73.02575	0.3
73.02930	2.3
79.05505	2.3
81.03418	1.2
81.07060	2.3
84.08143	0.7
84.96033	1.1
85.02913	9.0
86.03210	0.3
86.09711	100.0
87.04456	0.8
87.10013	0.4
91.03955	1.5
91.05489	1.2
97.02894	3.4
98.97595	9.1
99.04465	0.9
99.97930	0.4
105.29706	0.3
107.04921	0.4
107.08583	1.4
109.02891	1.0
109.06527	4.0
110.97562	2.4
112.05111	0.4
112.99117	0.6
115.03972	0.4
116.98615	2.8
119.01879	0.5
119.04982	0.5
121.06510	0.7
124.03983	0.4
124.99155	0.3
127.03928	2.5
128.02390	0.3
128.98636	1.7
131.00150	0.5
131.01849	0.5
132.10213	81.1
134.99704	0.5
136.06230	0.6
136.07654	0.4
137.05983	25.0
138.06383	0.7
143.00171	1.3
145.04993	2.4
146.99646	1.0
147.04410	0.6
149.01241	0.4
152.05682	1.0
154.93307	1.4
155.07001	0.8
158.99664	3.4
161.01237	0.9
161.05934	0.4
162.82932	0.4
163.03868	1.6
164.05898	0.5
164.07101	1.7
169.05424	1.1
170.05632	0.4
170.99615	0.9
171.03238	0.6
172.94345	1.3
173.06459	0.4
177.00774	1.9
177.02168	0.5
182.99930	0.3
185.01250	0.8
187.04422	1.7
187.06433	0.9
188.06801	0.5
189.00696	0.8
189.04327	0.5
190.95439	0.6
191.03925	0.6
193.01884	0.6
194.99612	0.5
197.01295	0.8
198.01384	0.4
199.06485	0.7
200.04692	0.4
201.00673	0.7
201.04306	0.8
202.04808	0.4
203.02284	0.8
203.06989	0.5
211.02806	1.0
214.95374	0.9
215.02405	0.9
215.05856	0.4
219.01718	2.0
221.03227	0.6
226.95364	0.5
229.03992	1.0
232.96471	1.2
237.02878	1.8
241.03871	0.6
242.03839	0.4
243.01694	0.5
244.96457	1.1
245.05159	0.5
249.06166	0.6
250.10686	0.5
253.03920	0.6
259.06580	1.0
259.56915	0.4
262.97540	0.6
268.02124	0.4
268.07202	0.9
272.06677	0.7
274.07181	0.4
279.03989	0.6
281.06198	0.6
283.04715	0.4
285.02917	0.6
285.09570	0.5
286.02872	1.8
286.09378	1.3
289.11133	0.4
299.03915	0.4
303.03827	0.4
304.03940	2.5
310.05719	0.4
315.04385	0.4
327.03519	0.4
328.03940	1.8
336.09396	1.0
340.03809	1.2
345.12247	0.6
346.04987	1.8
346.12549	0.4
349.09619	0.4
355.06769	0.9
357.59451	0.4
358.04803	1.7
358.09616	1.5
363.13263	1.2
364.13611	1.5
369.05035	0.4
370.05081	0.6
373.07925	1.4
376.05978	0.4
430.07419	0.6
448.07925	0.6
448.15182	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	448.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	7.4
58.06598	2.2
65.59881	0.7
67.05495	1.0
70.06596	13.1
71.08630	3.0
71.51910	0.8
75.24068	0.6
81.07050	1.6
85.10184	2.0
88.07637	17.3
91.05486	1.7
91.33302	0.6
93.07074	0.8
95.08635	1.5
96.35735	0.7
102.09188	14.0
104.02615	2.1
115.68926	0.6
118.04116	0.8
119.04941	1.8
132.02092	5.4
136.01567	5.2
147.03241	1.4
147.04422	23.8
148.05202	2.5
149.02376	1.3
162.04892	0.7
175.03928	42.5
176.04742	2.6
180.04201	10.0
191.07109	2.5
212.23782	1.0
219.06546	74.4
227.66814	0.8
256.26370	45.9
281.27188	0.7
303.65128	0.8
332.28870	0.8
343.64493	0.8
421.03860	0.8
448.30640	100.0
449.30817	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	449.1083
Annotation	Quercitrin
Peak:m/z	Relative Intensity
50.44482	0.4
52.35555	0.4
55.05507	0.4
56.64596	0.4
57.03450	3.9
65.03941	0.5
68.99809	0.5
69.03429	0.8
69.53506	1.0
69.53912	1.4
71.05000	27.6
73.02866	0.4
75.04473	0.7
83.04980	0.6
85.02913	27.0
85.06550	0.7
87.04463	0.5
93.07047	0.5
95.08604	1.2
98.21489	0.8
99.04450	0.6
107.08565	0.5
111.00831	1.0
121.02853	0.8
123.08061	0.7
129.05490	6.2
129.09088	0.8
134.68944	0.4
135.04376	0.5
136.07529	0.4
137.02345	3.9
137.05911	0.5
141.04877	0.4
141.93626	0.4
147.06538	1.3
149.02306	0.6
153.01854	4.0
163.03967	0.6
164.07115	0.7
165.01868	1.9
165.07387	0.5
183.02907	0.7
201.05513	1.3
207.13785	0.7
229.04996	3.5
247.06102	0.5
257.04456	2.8
274.04816	0.8
285.03958	1.4
303.05020	100.0
304.05377	1.6
315.04953	0.8
340.61490	0.4
345.06085	1.1
355.36057	0.4
413.08847	0.5
449.10840	0.9
449.24731	1.2
450.17606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
51.80065	0.8
53.03938	1.7
55.01860	0.9
57.03445	4.5
59.07104	0.8
61.02908	1.6
61.47007	0.8
65.79369	0.8
67.05487	1.1
67.59541	1.1
68.99789	1.1
69.03417	3.3
69.52014	5.0
71.04609	1.2
71.04997	22.1
77.04803	0.9
81.03400	2.1
85.02906	34.3
86.09692	2.8
91.05492	1.1
93.07058	1.0
97.02879	3.2
109.02888	1.5
111.00789	2.2
120.08104	5.5
121.02863	2.9
127.03930	2.2
129.05464	5.5
130.08615	1.2
132.92691	0.9
137.02345	3.8
145.04962	2.0
147.04414	6.6
147.06543	1.2
153.01837	8.3
165.01836	4.3
175.54539	1.2
201.05461	2.4
213.05377	1.1
217.62967	0.8
229.04997	3.4
241.05017	1.4
248.09077	1.1
257.04431	2.8
258.05319	1.3
262.59171	1.0
287.05502	100.0
303.04996	86.1
303.07751	0.9
303.10080	1.5
304.05362	1.5
335.19516	1.0
409.37616	1.2
424.94754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03938	0.3
55.01868	0.1
57.03422	0.4
61.02927	5.8
68.99789	0.6
69.03436	0.9
69.83771	0.5
69.84177	0.3
73.02917	1.6
74.45016	0.1
79.05489	0.2
81.03413	0.4
85.02908	5.5
87.77300	0.1
91.03420	0.2
91.03956	3.1
91.05489	0.2
97.02297	0.2
97.02893	2.8
99.04485	0.3
105.03371	0.4
107.04947	0.5
109.02860	0.4
111.00812	0.9
115.03918	0.2
121.02869	2.7
126.61252	0.1
127.03937	0.8
133.02843	0.5
137.02361	0.7
145.04965	0.6
147.04398	0.5
153.01836	4.0
157.06508	0.6
165.01822	1.6
171.04424	0.3
183.02867	0.9
185.06009	0.5
203.03400	0.1
213.05435	1.4
231.06551	0.5
240.14160	0.1
241.04927	0.9
243.06604	0.2
258.05215	1.1
259.05988	0.4
287.05499	100.0
288.05798	1.4
299.05634	0.6
329.06543	0.3
353.06616	0.4
449.10437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.01690	0.1
52.66470	0.1
53.03951	0.5
55.01866	0.4
57.03434	0.7
58.04269	0.1
59.04984	0.1
61.02932	1.4
65.03941	0.2
66.85364	0.1
68.99786	0.7
69.03431	3.4
69.47724	0.5
69.48134	0.2
71.01342	0.1
71.04994	0.7
71.31693	0.1
73.02908	0.6
78.61710	0.1
79.05499	0.2
81.03422	2.0
83.01291	0.1
85.02908	9.6
86.03225	0.2
87.04465	0.4
91.03979	0.5
91.05463	0.7
95.04993	0.1
97.02898	3.4
97.03530	0.2
99.04464	0.6
100.92467	0.1
105.03398	0.3
105.07047	0.1
107.04939	0.3
109.02876	1.2
111.00824	0.8
111.04453	0.1
119.04945	1.6
119.08624	0.1
121.02870	2.6
127.02994	0.1
127.03912	1.9
129.05428	0.1
129.06952	0.1
133.02834	0.5
135.04414	0.2
137.02338	0.9
145.04971	1.6
145.06293	0.2
147.04413	8.3
153.01833	4.2
157.06511	0.4
161.05981	0.2
165.01849	1.9
165.05495	0.3
167.10675	0.1
171.04431	0.2
173.05954	0.1
183.02933	1.0
185.06003	0.5
189.05383	0.1
197.06070	0.1
203.07133	0.1
213.05469	1.2
231.06506	0.6
241.04953	0.9
243.06487	0.1
258.05234	1.3
259.06058	0.5
268.04596	0.1
269.04535	0.2
277.81381	0.1
286.33136	0.1
287.05502	100.0
288.05820	1.3
291.08609	0.3
299.05524	0.2
309.09738	0.3
338.59875	0.1
358.74933	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	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03941	0.5
53.10402	0.1
55.01869	0.6
55.05513	0.2
57.03442	1.1
61.02928	1.5
65.03938	0.5
67.05520	0.3
68.99797	0.7
69.03432	3.6
69.52113	1.0
71.04988	0.6
73.02914	0.6
79.05491	0.4
81.03420	2.8
81.07051	1.6
83.01343	0.3
83.04998	0.3
84.08146	0.2
85.02907	9.8
86.09729	0.3
87.04475	0.4
91.03950	0.5
91.05479	3.0
93.07055	0.4
95.05000	0.2
95.08620	0.4
96.27378	0.2
97.02893	3.6
99.04465	0.6
101.06005	0.2
102.51130	0.1
105.03384	0.4
105.07012	0.2
107.04944	0.4
107.08600	0.3
109.02861	1.4
111.00797	0.7
111.80167	0.2
119.04941	6.9
120.08108	0.6
121.02868	3.3
123.11688	1.1
127.03928	2.0
133.02859	0.7
135.04398	0.2
135.39474	0.1
137.02359	1.1
145.04961	1.7
145.06523	0.3
147.04413	34.4
153.01830	4.2
157.06496	0.6
161.05986	0.3
165.01840	2.2
165.05493	1.6
169.12216	0.8
171.04498	0.2
177.09102	0.2
183.02907	0.8
185.06018	0.4
187.13284	0.2
199.03896	0.2
203.07121	0.2
213.05399	1.4
231.06567	0.7
241.05083	0.9
258.05222	0.9
259.06024	0.3
269.04428	0.2
284.80786	0.2
287.05499	100.0
288.05820	1.6
291.08646	1.1
303.04831	0.2
309.09659	1.5
449.27625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.60161	0.7
57.03436	0.8
57.58184	0.6
58.66414	0.5
61.40258	0.6
64.81863	0.6
67.19022	0.6
69.03430	4.2
69.47569	3.2
71.01351	0.8
71.04991	0.8
73.02916	1.6
81.03413	6.7
83.04996	0.6
85.02907	13.6
97.02895	33.2
99.04457	9.1
103.03943	11.5
109.02885	6.6
125.02354	91.9
127.03920	22.2
134.13773	0.5
137.06000	1.1
143.03398	100.0
145.04962	9.6
161.05969	0.6
163.06035	1.7
187.06044	2.2
245.47330	0.6
271.08203	1.0
289.09155	0.7
336.75998	0.6
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
53.03941	1.2
55.01861	1.1
57.03436	0.8
57.39336	0.3
60.45087	0.3
61.02927	0.6
69.03436	3.0
70.06575	0.4
70.68062	0.5
70.68400	0.4
71.04964	0.4
71.85338	0.3
72.08157	0.7
73.02911	0.6
78.04718	1.0
79.05509	0.7
81.03422	2.8
81.04536	0.4
81.07066	0.5
83.04986	0.3
85.02901	5.8
86.09681	0.3
87.00826	2.5
89.06044	0.4
91.03958	0.4
91.05474	0.6
95.04950	0.6
97.02896	2.3
99.04449	1.4
102.32278	0.3
105.01860	1.3
106.04170	1.2
107.04972	0.7
108.04464	1.7
109.02858	2.1
115.03908	0.5
117.01892	0.5
121.06494	0.4
123.04432	4.1
123.06807	0.5
124.05210	1.2
125.07071	0.3
127.03931	3.5
137.05966	3.2
145.04948	1.8
150.05530	1.7
151.03862	0.8
152.04689	1.0
159.02881	1.3
163.03902	0.5
164.07098	0.7
167.07040	100.0
168.07376	0.9
193.74728	0.4
231.05069	0.8
248.07675	1.3
253.14403	0.7
266.08832	0.3
288.12329	2.2
289.15353	0.4
398.20535	0.4
450.17636	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	450.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29782	1.1
55.01871	3.4
57.03442	25.4
59.05003	5.0
60.04532	2.6
61.02937	3.0
63.90705	1.1
69.03436	80.7
70.20441	1.2
71.04971	1.8
71.17668	2.2
71.18035	1.1
73.02922	5.9
75.04465	1.6
81.03428	4.9
83.04971	1.2
85.02914	79.2
87.04476	57.4
90.86219	0.9
91.03989	1.4
91.05481	3.8
93.07068	2.1
97.02899	66.4
99.04464	3.9
103.03949	2.1
109.02890	3.8
115.03941	93.3
117.07033	5.6
121.06516	44.3
123.04478	1.2
127.03926	11.6
131.04935	1.2
131.08588	1.2
133.04977	100.0
135.08089	2.3
137.05940	1.1
145.04985	18.7
145.06499	37.4
147.04372	1.0
150.07643	16.9
157.05043	1.2
157.06441	1.8
159.08070	5.4
163.06042	6.9
163.07559	18.7
167.07095	1.7
169.05003	2.0
171.08066	1.7
174.38573	1.0
175.07562	12.5
179.06995	2.4
181.08618	3.6
187.06032	1.5
187.07539	16.1
189.09175	1.8
199.07524	1.5
205.06894	1.8
205.08643	17.4
217.08640	20.4
223.05981	1.5
229.08774	5.1
235.09669	9.4
241.07126	2.7
247.09706	7.1
253.10713	1.4
259.08090	8.2
265.10696	5.6
274.81427	1.3
277.09155	2.7
295.10226	4.8
318.15417	1.6
343.02493	1.1
453.18478	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89763	1.2
53.03937	6.1
55.01860	6.2
57.03429	2.9
57.75312	1.4
61.02909	4.2
67.05509	2.2
68.99783	2.5
69.03434	18.0
69.07056	4.7
70.06572	2.5
71.04979	4.0
71.52037	2.0
73.02914	5.3
76.65372	1.6
79.05490	4.4
81.03418	19.1
81.07061	8.0
85.02910	48.3
87.00829	24.0
91.05476	3.3
93.07050	16.9
95.04989	2.5
95.08598	5.9
97.02895	29.2
97.06524	2.9
99.04444	8.6
105.01873	30.8
105.06982	2.4
107.08596	19.2
109.02877	20.1
109.06531	1.5
109.10149	3.1
117.01820	2.9
121.10148	29.5
123.11716	6.0
127.03934	40.7
129.01877	2.7
141.45465	1.5
145.04959	28.0
147.11729	2.1
149.13263	100.0
150.13660	1.7
159.02902	9.9
165.12788	11.3
166.58406	1.4
167.14323	26.1
170.72701	1.6
173.98364	1.9
178.74303	1.6
182.12691	1.4
196.19438	1.3
220.73732	1.5
231.05043	12.2
249.05981	2.7
259.09811	3.2
401.43753	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07556	0.7
54.22402	0.7
55.01875	0.8
56.96566	10.6
57.03436	2.4
60.01474	0.7
61.02946	3.5
67.05506	1.1
69.03438	7.1
70.03796	0.8
70.98133	0.8
71.04985	2.7
71.50610	1.2
71.95277	0.7
73.02908	2.9
79.05515	3.7
81.03417	3.3
81.04493	0.7
81.07057	2.3
84.08151	1.1
84.96023	2.1
85.02913	22.1
87.04465	1.9
88.99206	0.7
89.03910	0.8
91.03963	1.5
91.05479	2.6
93.07036	1.2
95.04961	1.4
95.08644	0.9
97.02898	7.5
98.97591	19.4
99.02708	0.7
99.04475	1.2
101.00913	1.7
101.02382	0.9
105.07030	1.2
107.04995	2.1
107.08615	2.8
109.02876	1.6
109.06506	2.1
110.97572	3.3
112.99154	1.3
115.03948	1.0
116.98630	6.4
117.03380	0.9
119.01906	2.1
119.04958	1.7
119.66431	0.8
121.06511	2.0
123.01272	0.9
123.08054	1.1
124.95387	1.1
124.99155	1.5
127.03925	6.1
128.98625	3.9
129.05560	0.8
131.00191	1.8
131.01923	0.9
134.99657	1.5
135.04474	1.9
137.05994	10.0
140.02275	1.3
140.98636	0.8
143.00163	2.4
143.01917	2.3
145.02824	1.3
145.04947	4.4
146.99672	2.5
147.04428	2.9
149.05952	1.5
157.03464	0.9
158.99669	5.9
161.01230	2.2
161.02933	2.8
163.03922	10.1
164.04350	1.7
164.07132	2.1
165.05576	1.1
167.07098	2.0
168.03673	2.8
168.07407	0.8
170.99692	2.3
171.05081	0.8
172.05699	2.2
172.97649	0.9
173.01360	1.0
173.03035	1.2
173.04944	0.9
174.99257	0.8
175.00880	1.5
177.00725	3.7
177.04216	2.5
182.53574	0.8
185.01311	1.1
185.02794	0.8
187.02838	1.1
187.04488	1.2
189.00671	2.4
189.04269	1.3
189.05977	0.9
190.98624	1.3
191.03947	1.8
197.01271	1.3
199.04509	0.9
200.04459	1.7
201.00677	1.8
201.05981	1.2
203.02319	1.4
203.04059	1.3
213.00717	0.9
215.02322	2.2
217.03865	0.9
219.01735	8.5
221.04993	1.7
222.51285	0.8
231.01917	1.1
237.02750	5.3
239.02393	0.8
241.03957	1.0
248.05638	0.8
249.02824	1.1
249.06274	2.2
251.04427	0.8
253.03908	1.0
256.06619	1.0
258.06882	5.8
261.02832	2.0
263.00558	1.3
271.04660	0.8
273.07159	1.3
279.03922	2.3
284.08386	1.4
284.87924	0.9
285.03003	1.3
293.05383	1.2
293.08734	1.4
295.30350	0.8
296.06375	0.8
303.09406	0.9
311.06421	1.4
327.03873	2.1
331.03192	0.9
333.10416	0.9
335.06317	1.0
339.09460	2.7
341.69052	0.7
353.07269	1.1
377.07983	0.9
379.12698	2.1
391.02933	1.8
415.09067	0.9
447.07806	1.1
450.18988	1.2
451.04898	100.0
451.11465	4.8
451.18442	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	451.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01863	0.4
55.05519	0.3
56.85981	0.3
57.03444	0.4
58.63696	0.2
62.39025	0.2
63.59681	0.2
65.03926	0.6
67.05486	0.2
69.03437	1.9
71.04992	0.6
71.51421	0.4
72.08149	0.3
73.02900	0.3
78.18843	0.2
79.05488	0.4
81.03424	3.9
81.07066	0.5
83.04967	0.3
85.02898	1.7
85.06537	0.3
86.09731	0.3
91.05489	8.1
93.07042	1.1
94.07398	0.4
95.08585	0.5
96.40273	0.3
97.02895	4.9
99.04459	0.6
105.07040	0.5
106.17094	0.3
107.08581	0.7
109.02887	1.1
119.04949	19.8
119.08571	0.6
120.08131	0.3
121.10153	0.6
122.96358	0.3
125.02364	13.6
127.03913	0.9
127.11248	0.3
137.05972	0.9
143.03407	9.6
147.04417	100.0
148.04727	0.6
149.09622	0.4
165.05493	3.9
167.10713	0.4
167.14359	0.3
208.56213	0.3
259.09677	0.5
289.15533	0.6
291.08597	4.8
305.05328	0.4
309.09732	2.7
451.20001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01871	0.4
65.03938	1.0
67.07555	0.3
69.03429	2.0
69.69923	1.4
71.01310	0.3
71.04974	0.9
73.02905	0.3
76.04036	0.3
76.84729	0.3
79.05508	0.6
79.82823	0.3
81.02991	0.4
81.03420	3.4
81.07066	0.6
83.04980	0.3
85.02896	1.3
85.06536	0.6
91.05484	8.0
93.07037	0.8
94.07384	0.3
95.08606	0.6
97.02898	4.8
97.10078	0.3
99.04446	0.5
105.07005	0.3
107.08578	0.8
109.02875	1.2
109.10156	0.4
119.04945	23.1
119.08620	0.5
120.08128	0.3
120.69131	0.3
121.10136	0.8
125.02357	13.4
127.03925	1.0
131.33763	0.3
137.05960	1.0
143.03395	9.9
147.04411	100.0
148.04761	0.7
149.09615	0.3
165.05493	3.5
167.10683	0.5
169.12294	0.3
215.06990	0.6
259.09802	0.6
289.15451	0.7
291.08658	6.4
305.05527	0.6
309.09741	3.1
399.66089	0.3
451.20010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.9
57.03434	7.5
67.05489	3.0
69.03421	12.2
69.65176	2.5
69.69105	14.9
70.06606	5.5
71.04990	3.6
73.02926	6.0
79.05495	6.3
81.03418	7.7
81.04528	8.1
81.07047	8.9
83.04958	4.1
84.08141	4.1
85.02912	20.4
85.06525	3.6
91.05476	10.0
93.07047	4.2
95.04984	5.8
95.06097	4.0
95.08620	5.2
97.02890	8.0
103.03970	5.7
105.07026	10.6
107.04961	100.0
109.06509	6.3
113.05971	4.7
115.03909	4.3
119.04929	7.5
120.08105	3.1
121.06512	7.8
123.08089	4.0
125.07112	11.1
127.03944	9.4
129.07042	4.2
131.04915	4.1
133.06497	11.7
134.52356	2.7
136.07587	7.1
137.05988	29.6
143.08162	29.5
145.06519	2.9
147.04395	25.1
149.05978	10.6
151.07588	3.5
153.05513	2.9
153.07086	3.1
157.06456	4.3
161.05963	31.1
163.03943	3.0
164.07095	12.3
165.05504	33.8
165.07333	6.3
167.07043	7.2
168.07397	8.6
173.06024	7.6
175.07602	7.4
176.55394	2.7
177.05528	5.6
179.07114	13.9
181.06461	3.1
182.08122	3.6
185.06030	3.0
195.06589	3.2
199.07571	4.7
200.15358	2.8
203.07004	18.0
217.08630	3.3
221.08044	8.4
227.07076	7.4
233.07973	5.0
237.07616	13.6
243.14944	3.7
245.08141	18.5
263.09174	13.9
271.14450	7.9
289.15503	13.7
309.11298	2.7
408.54837	3.1
415.13919	4.0
451.17447	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
55.30491	0.3
57.03431	0.4
65.03928	0.8
67.05504	0.8
69.03426	1.1
69.93860	1.0
69.94256	0.8
79.05495	3.6
81.03413	2.5
81.07041	1.1
85.02925	2.4
85.06533	0.9
91.05484	7.0
93.07049	0.9
95.04982	1.2
95.08678	0.4
97.02873	0.9
97.06577	0.5
99.04523	0.4
105.07036	1.4
107.04955	3.1
107.08597	4.4
109.02885	0.5
109.06517	0.4
119.04947	19.6
119.08594	0.5
121.06508	0.6
123.08054	0.8
124.08395	0.5
125.09594	1.1
127.03929	0.9
129.06984	0.5
131.04980	0.6
137.05962	1.7
143.03426	0.4
145.10085	0.5
147.04414	100.0
148.04768	0.8
149.06020	0.5
149.09563	0.7
151.03912	1.5
152.67136	0.4
161.05989	1.1
165.05492	4.9
167.10695	1.4
168.11107	0.6
179.07098	0.5
181.08237	0.4
185.06125	0.5
203.10753	0.4
215.07138	0.9
224.92697	0.4
233.11734	0.5
241.15988	0.6
245.07985	0.4
259.09607	0.9
263.09073	0.5
269.13669	0.4
271.16971	0.6
289.11551	0.7
291.08649	1.7
309.09695	5.5
451.16110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
65.03936	0.7
69.03437	0.7
69.93592	0.9
79.05502	3.1
81.03432	1.6
81.07047	0.5
85.02908	1.6
91.05491	6.9
91.39803	0.3
95.04993	0.2
97.02911	0.6
101.93927	0.2
105.07034	0.6
107.08610	4.1
109.02888	0.9
109.46004	0.3
119.04955	17.4
119.08582	0.3
125.02383	0.4
125.09626	0.8
127.03941	0.3
135.08012	0.3
143.03421	0.4
143.10701	0.5
147.04424	100.0
148.04758	0.7
149.09645	0.3
153.09076	0.3
165.05508	4.4
167.10602	0.3
168.35611	0.3
226.17297	0.2
233.11864	0.4
251.12802	0.3
259.09802	0.6
291.08643	2.3
309.09729	5.1
442.57498	0.3
442.64337	0.3
445.95380	0.3
451.20142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.3
61.15730	0.3
65.03931	0.7
65.49868	0.3
67.05493	0.8
69.03416	0.9
69.35133	2.1
69.35544	0.6
73.02896	0.3
79.05498	7.0
81.03415	1.2
81.07049	1.7
85.02892	1.1
91.05482	9.7
93.07036	0.6
95.08629	0.5
97.02909	0.3
105.07021	1.1
107.08596	10.7
109.02886	0.7
109.06588	0.4
109.10136	0.6
117.07060	0.3
119.04944	21.6
119.08594	0.6
120.08129	0.4
121.10161	0.4
123.08079	0.7
125.09602	1.6
127.03915	0.4
131.08618	0.4
133.10094	0.3
135.08055	0.6
137.06126	0.3
143.10666	1.4
147.04414	100.0
148.04758	1.5
149.04971	0.3
149.09636	0.5
151.11203	0.3
161.06061	0.3
163.03851	0.7
164.07037	0.5
165.05484	3.2
179.72372	0.3
185.11707	0.5
186.12021	0.5
195.07904	0.3
203.03221	0.3
213.09045	0.3
233.11786	0.6
251.12784	0.4
259.09668	0.9
269.14075	0.5
287.05536	1.0
288.05789	0.8
289.06119	1.8
289.14606	0.3
291.08508	0.6
309.09634	2.3
315.86539	0.3
324.98898	0.3
451.20517	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
54.18385	0.5
57.03423	0.6
63.49822	0.4
64.75581	0.5
67.05492	1.2
69.03430	3.0
69.07061	1.8
71.04985	1.0
71.53152	0.4
77.03931	0.6
79.05487	2.5
81.03429	4.3
81.07050	1.1
85.02910	3.0
85.94604	0.4
91.05482	1.0
93.07045	1.5
94.91199	0.5
95.04964	0.8
95.08624	0.9
97.02898	4.2
97.06533	10.7
103.05469	22.9
105.07024	2.0
107.08582	1.5
109.02880	2.0
109.06566	0.6
109.10145	1.1
119.08608	1.0
121.10166	0.8
123.08061	0.6
123.11704	0.8
127.03922	2.0
131.04930	100.0
132.05251	0.7
133.10127	0.6
135.04385	0.6
135.11665	0.8
137.05994	1.5
145.04926	1.5
145.10109	1.1
147.04463	0.7
147.07988	0.7
149.05984	9.3
159.04436	0.8
159.11729	0.8
161.02361	1.8
163.03912	5.0
173.02383	2.8
173.13292	0.6
176.27660	0.5
185.13451	0.4
199.15059	0.5
215.07016	4.5
237.52812	0.5
259.09653	15.2
271.16898	0.6
275.09155	3.8
293.10178	10.1
313.15155	0.5
329.21436	0.6
370.43997	0.6
451.22665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.5
54.61524	3.7
55.01867	12.0
55.05515	23.6
57.03422	11.7
57.07082	4.4
60.72552	4.3
61.02908	6.0
67.05502	28.7
67.55636	3.9
68.99786	8.0
69.03101	4.8
69.03435	69.4
69.07051	15.8
71.01353	7.3
71.41252	7.1
73.02915	8.3
79.05499	25.0
81.03417	37.8
81.06599	5.7
81.07058	87.6
82.07390	3.7
83.04973	9.9
83.08610	7.6
84.01790	4.0
85.02917	46.8
87.00846	23.8
87.04418	5.4
91.05454	31.5
93.07054	71.6
95.04955	13.0
95.08056	7.4
95.08614	69.6
96.80115	3.6
97.02907	27.9
97.06512	7.6
97.10179	4.2
99.04459	10.3
101.02380	5.8
103.03967	5.4
105.01871	10.0
105.07037	91.6
107.04941	6.6
107.08598	75.9
109.02876	25.6
109.06513	6.9
109.10160	59.8
111.04414	6.0
115.03922	13.4
117.07018	13.0
119.08594	79.2
121.06507	12.0
121.10149	45.2
123.08053	7.9
123.11724	11.9
125.05997	7.3
127.03923	38.4
128.06160	9.2
129.01828	7.0
129.07014	6.7
131.08553	35.6
133.10120	46.5
135.08040	4.4
135.11679	23.8
137.06000	10.8
142.07764	8.8
143.03392	6.3
143.08545	24.0
145.05089	5.0
145.08965	2.8
145.10120	76.9
147.07977	6.6
147.11703	62.2
149.09616	5.5
149.13248	19.8
152.09790	3.9
155.08536	7.8
157.10153	26.3
158.10950	5.1
159.02885	8.2
159.08017	6.5
159.11697	59.2
161.13278	35.7
163.07603	5.2
163.14799	4.8
165.09152	5.8
169.10136	12.2
171.11653	25.8
173.09587	5.4
173.13277	27.4
175.11359	5.5
175.14813	36.0
177.16322	4.3
181.10098	10.3
183.11653	13.3
185.13248	17.7
187.14821	17.7
189.03983	6.1
189.09064	4.4
189.12759	6.6
189.16380	28.6
195.11705	12.9
197.13229	7.1
199.14795	14.0
201.03967	6.2
201.12555	4.5
201.16388	83.3
203.17970	100.0
209.13290	8.2
211.14893	9.2
213.12852	4.7
213.16411	20.0
215.14348	4.1
215.17897	29.1
223.14809	8.6
225.16296	12.7
227.17914	14.6
229.16016	5.9
229.19576	5.6
231.04999	12.9
231.17378	21.2
233.19061	11.8
237.16299	4.6
239.17834	7.7
241.19565	5.4
243.17465	9.4
245.18913	8.7
255.17430	7.4
257.19064	6.7
261.18481	5.2
269.19046	9.9
275.20126	11.3
287.20007	6.8
293.18961	13.2
311.20102	33.8
329.21103	33.9
347.22086	13.4
357.77951	4.4
379.91434	4.4
389.23126	5.6
397.20264	5.0
415.21146	40.0
433.22177	46.1
451.23206	55.8
451.32333	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	451.321
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03949	3.6
55.05512	16.8
57.07071	3.7
59.04999	1.9
60.05937	1.7
60.50220	1.8
67.05505	26.3
69.03439	6.0
69.07070	14.7
71.05011	2.5
71.51941	2.0
73.34843	2.1
77.03899	1.7
79.05505	18.1
81.03440	4.5
81.07064	53.5
83.04995	17.2
83.08624	8.7
85.02918	4.8
91.05492	29.4
93.07053	39.7
95.04979	5.7
95.08620	55.4
97.06529	3.0
97.10189	3.3
98.97588	2.2
99.08092	3.3
103.05511	2.1
105.07044	51.8
107.08607	67.2
109.06527	7.1
109.10170	40.3
111.08084	10.2
113.68292	1.8
117.07040	9.7
119.08594	100.0
121.06517	3.9
121.10152	43.4
122.20656	2.1
123.08089	5.5
123.11732	21.1
125.09639	13.4
128.06258	2.7
128.07733	2.2
129.07039	7.2
131.08582	26.7
133.07607	2.1
133.10143	51.1
133.11101	3.4
135.08017	4.5
135.11705	15.0
137.06003	7.3
137.09584	9.1
137.13278	4.5
141.07016	2.8
142.07794	4.9
143.08578	15.1
144.09361	4.1
145.10136	69.0
147.11697	21.2
148.58365	2.4
148.59499	2.1
149.09645	3.2
149.13239	13.3
151.11179	10.3
155.08553	3.8
156.09386	5.8
157.10133	21.9
159.11697	44.8
161.09709	3.2
161.13287	20.0
163.07593	6.7
163.11223	4.7
163.14851	11.8
165.12848	4.1
167.21822	2.1
169.10190	7.8
170.10922	3.6
171.11687	24.4
171.56128	1.9
172.12430	2.1
173.13268	31.5
175.14838	30.5
177.16431	9.2
181.10161	2.5
183.11684	10.4
185.13289	20.8
187.07547	2.3
187.14842	37.2
189.16397	15.2
191.14384	5.9
193.15924	5.9
195.11829	3.8
197.13310	8.5
199.11032	1.9
199.14822	27.5
201.16415	36.6
203.14340	4.8
203.17969	6.2
205.15872	14.6
207.17580	2.0
209.13324	4.3
211.14911	8.4
213.16400	30.7
214.17159	3.1
215.14290	2.2
215.17938	12.6
217.12186	2.3
217.15883	5.1
219.17424	10.8
221.13455	2.8
223.14891	3.8
225.16379	4.7
227.17978	5.1
229.15939	5.6
229.19579	3.5
231.17545	8.7
233.15404	4.1
237.16473	3.2
239.18047	5.8
241.19511	14.5
243.21213	3.4
245.15483	5.4
245.19052	2.5
247.17152	2.7
253.19739	7.4
255.21259	2.9
257.15445	27.5
258.16229	2.2
259.09680	3.0
259.16980	16.6
265.19543	3.4
267.21191	6.3
279.21121	2.2
285.18759	2.5
287.20157	2.0
299.20016	4.4
309.22314	3.0
316.64914	1.9
349.25189	3.2
387.30777	4.7
389.32071	3.5
400.44107	2.2
404.07602	2.0
405.31558	47.6
407.33426	10.8
421.31192	9.1
423.32651	2.2
433.31021	23.4
451.32217	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	451.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.05510	15.0
57.03430	2.4
57.07075	5.8
59.04993	2.0
67.05508	24.2
69.03427	2.3
69.07067	13.9
69.21509	16.4
72.36968	1.5
79.05496	28.9
79.45339	1.6
81.07058	63.6
83.04992	19.0
83.08609	11.3
84.87172	1.6
85.06547	2.9
91.05486	32.6
93.07050	54.6
95.04980	5.4
95.08612	71.7
97.06533	3.6
97.10158	3.1
103.05452	2.4
105.07034	72.3
107.08595	88.6
109.06538	15.6
109.10161	41.3
111.08077	11.3
115.05431	2.0
116.06242	2.5
117.07008	13.6
119.08585	100.0
121.10143	57.8
123.08071	6.9
123.11709	23.3
125.09615	14.4
127.07569	10.0
127.92778	1.6
128.06279	3.8
129.07014	9.0
130.07846	3.2
131.08577	41.5
133.09119	3.4
133.10136	62.4
135.08098	2.7
135.11697	24.7
137.09630	5.6
137.13289	2.0
141.06993	3.1
142.07788	5.8
143.08566	29.4
144.09354	4.2
145.10132	75.0
147.08069	2.7
147.11691	29.2
149.09676	4.3
149.13286	8.8
151.11182	9.7
155.08588	6.9
156.09375	4.6
157.10146	28.1
158.10915	3.8
159.11702	60.4
161.09641	2.3
161.13261	28.6
163.11191	5.4
163.14807	9.8
165.12807	3.5
167.08571	2.4
169.10106	14.4
170.10947	3.7
171.11671	29.3
172.12473	3.8
173.13269	40.1
175.11058	1.8
175.14804	23.5
177.09106	3.1
177.12698	3.0
177.16415	4.4
179.08612	1.8
181.10159	4.1
182.11006	3.0
183.11711	18.2
184.12408	2.6
185.13272	39.7
187.14830	66.6
189.16400	19.2
191.14305	11.0
191.17963	4.1
193.15892	4.8
195.11737	6.1
197.13266	20.1
198.14015	2.1
199.11154	2.6
199.14833	38.3
201.16376	58.8
203.14381	4.8
203.17979	5.7
205.15880	22.6
207.11678	2.8
209.13297	7.6
211.14853	20.1
213.16394	49.6
214.17079	1.8
215.14423	10.2
215.17842	15.1
217.15939	9.4
219.13882	4.2
219.17442	33.2
223.14807	5.0
225.16487	6.4
227.14270	2.2
227.17984	6.9
229.15964	4.7
229.19511	2.2
231.13771	2.4
231.17581	9.7
233.15427	3.5
233.19041	4.4
235.14671	2.0
237.16460	4.7
239.17998	9.7
241.19449	13.4
243.17561	2.5
245.15390	7.3
247.17006	4.7
249.16357	2.2
251.17911	2.3
253.19473	9.3
255.21130	4.8
257.15482	3.4
257.18723	2.6
259.16971	15.2
265.19559	7.5
267.21027	12.6
279.21082	4.7
281.22684	3.0
287.20129	2.8
295.24026	2.7
305.22549	2.1
319.24329	2.3
325.21597	1.9
339.23285	2.3
387.30341	8.7
393.28079	2.3
403.29868	2.1
405.31583	72.5
407.33017	8.6
415.30020	3.9
421.30936	3.1
433.30991	30.5
451.32111	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
52.41479	2.0
53.03942	3.9
53.09999	2.2
55.05514	17.6
57.07072	5.8
65.03915	2.8
67.05503	22.7
69.03418	3.3
69.07072	14.4
70.10200	7.7
79.05504	22.6
81.03419	3.0
81.06593	3.1
81.07058	55.1
83.04987	26.7
83.08611	6.6
85.06546	3.3
91.03796	1.8
91.05480	32.4
93.07054	49.0
95.04979	7.3
95.08609	55.1
97.06488	4.3
97.10183	3.5
103.05453	2.4
105.07030	60.2
107.08601	76.7
109.06523	10.0
109.10152	33.4
111.08084	5.5
117.06985	9.6
119.08583	92.5
121.06500	2.8
121.10153	49.9
123.08061	5.1
123.11719	20.6
125.09620	6.6
129.07025	8.6
130.07814	3.2
131.08568	29.3
133.10127	46.9
134.58011	1.9
135.08090	5.1
135.11684	17.3
137.09613	8.1
137.13280	4.3
141.07040	3.7
142.07808	5.7
143.08557	22.2
144.09309	2.5
145.10132	72.0
147.11702	32.6
149.09644	2.4
149.13261	22.6
151.11145	5.2
155.08595	5.9
156.09373	5.2
157.10150	23.2
158.10977	2.2
159.11708	28.5
161.09660	4.2
161.13246	10.6
163.07600	3.7
163.11238	7.3
163.14853	22.8
165.12721	9.8
169.10143	11.5
170.10962	4.5
171.11700	33.9
173.09576	3.1
173.13275	33.4
175.11281	2.5
175.14833	43.2
177.16441	9.1
182.11081	2.3
183.11728	12.5
185.13228	14.7
187.13258	2.3
187.14835	32.0
189.12802	2.7
189.16425	16.8
191.14320	5.1
191.17889	2.1
193.15953	2.4
195.11749	5.2
196.12477	2.7
197.13254	13.8
199.14801	25.9
201.12785	2.6
201.16373	21.5
203.14404	6.1
203.18034	10.2
205.15869	5.8
207.11876	2.2
209.13289	4.4
211.14783	10.7
212.15671	2.5
213.16411	26.8
215.14357	4.5
215.17984	10.7
217.12357	2.2
217.15930	12.2
219.13829	2.7
219.17668	2.1
221.13332	3.1
223.14882	5.1
225.16408	7.0
227.17966	7.4
229.15880	4.9
229.19482	4.5
231.17432	10.4
235.14888	3.1
235.17015	2.6
237.16466	4.8
239.18024	8.0
241.19514	34.4
243.17461	2.8
243.21129	11.0
245.15446	4.0
247.16963	3.4
251.17952	3.2
253.19450	11.7
255.21155	5.9
257.18991	2.2
259.17035	6.0
259.20584	4.4
265.19592	4.3
267.21130	8.4
269.18985	2.8
279.21106	3.2
281.22583	3.5
285.18619	4.4
287.20203	3.4
291.21207	3.5
293.22614	2.5
299.20114	5.8
309.22214	7.0
309.98987	2.2
321.25925	2.4
335.23886	3.4
339.02762	2.8
349.25201	3.0
377.32208	3.5
387.30447	10.9
389.32315	3.8
393.28122	3.6
395.09369	8.5
405.31573	81.4
407.33282	18.9
433.31015	17.9
451.26895	8.3
451.32175	100.0
452.32724	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	451.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
54.58568	2.6
55.05515	19.2
57.07071	7.5
60.11701	2.6
62.38422	2.5
65.03939	3.1
66.38461	2.5
67.05508	27.0
69.03429	6.8
69.07073	21.8
69.46999	2.7
77.03967	2.7
79.05497	37.2
81.03433	4.0
81.07058	73.7
81.55952	2.5
83.04990	24.7
83.08620	13.8
85.02928	3.5
85.06559	3.1
91.05488	33.2
93.07049	60.6
95.04963	10.5
95.08615	73.3
97.02869	3.1
97.06532	29.8
97.10163	6.0
99.08096	3.1
105.07033	79.1
107.04972	2.8
107.08601	89.3
109.06526	13.3
109.10168	47.9
111.08103	7.3
117.07014	15.0
119.06065	2.5
119.08585	100.0
121.06494	3.1
121.10147	72.0
123.08072	8.1
123.11700	24.7
125.09650	11.2
125.25760	2.6
127.07559	6.6
128.06281	3.9
129.07001	12.9
130.07791	3.5
131.08569	44.9
133.06473	2.5
133.10139	72.7
135.04478	2.9
135.11697	28.5
137.05968	10.3
137.09671	5.8
142.07822	5.2
143.08568	28.9
144.09348	5.7
145.10127	75.2
147.08002	3.1
147.11699	36.7
149.09637	3.9
149.13312	13.3
151.11186	10.1
155.08566	10.4
156.09337	6.3
157.10149	30.8
158.10899	5.6
159.11713	68.4
161.13278	30.4
163.03937	10.1
163.07521	6.3
163.11188	4.4
163.14816	11.6
165.12819	3.9
167.08549	3.4
168.09482	2.8
169.10126	14.6
170.10928	6.1
171.11691	34.2
171.13007	4.3
173.02339	5.3
173.13264	42.5
175.14813	31.3
177.09142	2.8
177.16414	7.2
180.09305	2.7
181.10106	2.7
183.11763	15.8
184.12497	5.2
185.13261	33.8
187.14833	75.1
189.16400	22.1
191.14362	18.5
191.17984	6.9
193.15944	5.8
195.11723	5.8
197.13312	17.7
199.11374	2.8
199.14850	48.1
201.16399	62.2
203.17947	7.4
205.15886	25.6
207.17369	3.8
209.13268	8.2
211.14835	20.5
213.12976	4.3
213.16377	59.7
215.07011	7.4
215.14326	4.0
215.17894	13.8
217.15889	11.3
219.17421	27.5
223.14806	3.5
225.16371	6.4
227.17976	8.3
229.15872	3.4
229.19670	3.5
231.13702	3.0
231.17372	5.8
233.15340	5.9
237.16382	2.8
239.17908	9.8
241.15875	3.9
241.19466	15.2
245.15363	7.1
247.17061	3.3
251.17996	5.7
253.19533	11.4
255.21100	5.0
257.15442	3.7
259.09689	31.4
259.16959	16.5
265.19580	5.7
267.21173	13.1
269.22714	3.1
271.07779	3.7
283.20389	3.4
291.21039	3.3
347.27261	3.0
361.12854	4.4
387.30438	8.1
389.31799	3.4
405.31555	73.8
407.33316	12.0
415.29941	3.8
421.30914	7.8
423.32245	2.9
433.30991	26.2
451.32083	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
53.24281	2.5
55.01871	6.3
56.96572	28.8
57.03436	11.1
61.02924	14.8
65.46852	2.6
67.05513	4.8
69.03436	43.3
69.07072	3.2
69.21014	2.6
69.21317	26.7
70.06599	4.8
71.04993	8.4
72.08167	4.1
73.02910	16.6
79.05511	22.5
81.03422	14.4
81.07052	9.1
83.05001	3.4
84.96029	8.1
85.02911	100.0
86.03252	3.2
86.09713	34.7
87.04472	9.4
88.04034	3.3
91.03960	7.6
91.05486	9.8
93.07052	8.7
95.01391	2.5
95.04992	3.3
95.08607	8.1
97.02899	44.1
98.03216	3.1
98.97596	89.7
99.04469	10.0
99.97929	4.8
101.02392	3.7
105.07031	6.6
107.08612	10.0
109.02880	7.3
109.06523	7.2
110.97593	16.3
112.99146	4.6
116.98635	30.2
117.12182	2.9
119.04917	5.1
121.06535	24.5
123.08069	9.9
124.99151	4.0
125.07046	3.6
127.03933	26.9
128.98615	12.1
130.08734	3.1
131.00208	2.9
132.10210	27.3
134.04541	5.8
134.99658	5.4
135.04466	3.7
136.06203	57.9
137.05989	36.8
139.00658	3.1
141.09109	5.9
142.04550	2.9
143.00154	10.8
145.04973	23.5
146.99670	5.4
147.04420	7.5
152.98631	3.2
155.04639	4.1
157.01807	3.1
158.99658	43.0
160.00090	3.8
161.01247	3.9
162.99127	2.7
163.03920	21.9
164.07147	3.3
170.99675	5.9
172.05721	11.6
177.00726	26.6
178.05669	2.6
179.00189	7.9
180.05443	23.7
181.06242	10.1
187.04399	5.7
187.06424	4.7
189.00739	5.4
189.05994	22.5
189.56133	4.0
191.03860	3.6
194.99678	3.5
195.01732	4.0
197.01221	9.5
197.04886	6.8
199.06416	7.6
201.00752	7.8
201.04308	4.0
203.05887	4.2
213.04419	3.1
215.02432	3.1
215.05922	7.9
217.03795	2.7
217.07491	5.8
218.35609	2.8
219.01805	27.3
220.02046	3.7
235.02716	4.6
237.02638	22.3
238.03230	3.9
239.05931	25.4
241.03844	4.6
242.07387	3.4
243.01938	3.0
253.03873	3.8
255.01749	5.9
257.07019	9.4
261.08179	9.5
262.08835	3.2
268.06985	4.4
270.08606	13.4
270.58716	2.9
273.02679	4.3
275.07916	3.0
283.07419	7.0
284.08325	5.5
285.02911	4.1
292.10193	3.5
293.10568	3.1
294.11420	4.8
297.04288	3.9
303.03903	8.8
303.07291	3.1
309.08597	5.7
315.05524	4.4
320.11255	10.4
320.61710	2.8
327.03870	11.8
331.12451	3.0
338.11465	16.8
339.12073	11.9
339.62070	3.4
340.12820	36.5
340.62875	5.5
341.13419	8.1
342.14319	8.3
357.08554	5.7
359.10150	18.3
361.11649	7.8
362.11731	3.2
373.08115	7.4
377.11191	10.2
379.13016	5.7
389.89957	3.4
414.09634	4.5
429.06888	5.7
429.12128	12.5
432.11298	2.9
440.40134	2.8
452.05576	5.6
452.12057	7.8
452.19547	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	452.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.8
55.01860	3.3
55.05504	3.9
56.56510	1.3
57.03439	3.5
57.07074	1.7
59.56464	1.4
61.02940	2.2
67.05515	11.2
68.99837	1.8
69.03432	15.2
69.07051	4.0
71.04995	6.6
73.02919	2.1
73.78603	1.2
74.22963	1.4
79.05489	6.5
81.03439	9.0
81.07063	46.7
83.08655	1.5
85.02914	31.7
85.06546	4.4
87.00832	12.8
91.05480	5.5
93.07054	24.1
95.04991	3.9
95.06827	1.3
95.08618	46.2
97.02907	16.2
97.06508	2.1
97.10150	5.3
99.04465	8.5
99.08057	1.7
101.01526	1.4
105.01884	18.2
105.07044	10.7
107.08627	13.6
109.02876	11.6
109.06528	6.4
109.10162	13.4
111.08092	6.2
114.48016	1.4
119.08615	2.1
121.02842	2.5
121.10156	4.4
123.08125	1.7
123.11713	53.4
123.52000	1.3
125.09664	6.2
127.03928	26.9
127.11208	2.9
131.08521	1.7
133.10141	19.3
143.10625	2.1
145.04959	13.4
145.10153	3.0
151.11192	96.1
155.10658	1.9
159.02887	5.2
163.03894	3.0
169.12262	100.0
174.05428	2.0
187.13315	15.7
213.03935	2.0
219.17542	3.3
231.05058	12.6
237.18475	10.2
247.97090	1.6
249.06126	8.0
255.10060	1.8
260.10004	1.6
284.09604	2.1
287.05432	2.6
288.05875	7.2
289.06070	5.0
290.06345	7.3
399.16422	5.0
452.16083	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	452.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13880	1.2
50.35662	1.2
53.03944	3.1
55.01871	2.4
55.05507	5.2
56.13705	1.1
57.03439	3.0
60.20869	1.2
61.02920	2.6
67.05508	9.2
68.12990	1.2
69.03436	12.6
69.07073	3.8
71.05001	9.0
79.05505	6.1
81.03432	10.4
81.07064	43.1
85.02914	28.3
85.06548	4.0
87.00838	14.6
91.05482	5.6
91.94504	1.2
93.07052	24.1
95.04979	3.8
95.08617	39.0
97.02907	16.0
97.06504	1.6
97.10188	3.6
98.21480	2.6
99.04442	6.7
99.08072	1.4
105.01881	19.9
105.07031	8.3
107.08603	14.4
108.13869	1.3
109.02903	10.3
109.06520	3.8
109.10173	15.7
111.04391	1.3
111.08096	6.2
115.03951	1.7
117.01842	1.8
119.08591	2.3
121.02883	1.6
121.10165	5.1
123.08094	2.2
123.11721	51.4
125.09644	6.1
127.03928	22.8
127.11240	2.7
131.08533	2.2
133.10143	19.2
135.11743	1.7
141.06815	1.3
145.04994	11.3
145.10141	2.3
146.06073	2.4
149.09604	1.6
151.11205	90.4
155.10670	1.3
159.02898	4.5
163.03925	2.3
167.10751	1.2
169.12256	100.0
170.12491	1.7
174.05452	1.6
187.13329	15.8
201.16371	1.7
213.03922	2.9
219.17473	3.7
231.05043	10.0
237.18506	13.3
249.06126	8.0
255.39824	1.3
260.10062	1.5
276.40958	1.2
284.09756	1.3
288.05841	7.0
289.06143	6.9
290.06326	8.7
300.08609	1.6
399.16391	6.7
452.15958	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	452.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01849	1.0
55.05504	3.3
57.03424	1.3
57.07070	0.9
59.05010	0.8
63.15531	0.8
67.05508	6.6
67.94099	0.7
68.99767	1.0
69.03430	3.5
69.07058	1.1
70.84418	1.5
71.05000	1.8
73.02876	0.9
79.05480	3.8
81.03403	3.1
81.07061	25.9
85.02435	1.1
85.02912	11.4
87.00829	4.6
87.04475	0.9
91.05466	2.3
93.06485	1.2
93.07049	14.3
95.04996	3.6
95.08611	47.9
97.02887	6.8
97.10168	7.0
99.04453	3.2
99.08079	0.9
105.01871	11.8
105.07051	1.0
107.08599	7.7
107.24249	0.9
108.14711	0.8
109.02862	4.8
109.06515	1.6
109.10169	6.6
111.08076	3.4
121.10175	1.1
123.08081	0.8
123.11714	31.8
125.09627	3.9
127.03921	13.7
128.49896	0.7
133.10100	3.9
145.04997	5.1
151.11194	18.5
159.02888	1.6
169.12247	100.0
186.14876	0.9
187.13344	1.9
213.03976	2.4
231.04974	8.2
235.13345	1.3
249.06097	5.7
277.14282	1.9
284.09708	6.5
381.15433	2.1
399.16446	1.8
417.17786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.05505	1.9
57.03431	2.1
58.75254	0.9
59.04995	1.6
65.03926	1.6
66.27489	1.1
67.05479	1.8
69.03432	5.9
69.07057	3.4
69.67188	7.2
70.46082	1.1
71.05001	13.0
73.02858	1.1
79.05502	21.1
81.03404	6.0
81.07061	100.0
82.03763	1.2
83.04993	8.0
85.02911	12.3
85.06549	1.7
87.00822	4.3
89.57178	1.1
91.05475	10.4
92.05836	3.8
93.07051	4.0
95.04987	1.4
95.08600	3.6
97.02900	7.5
97.06549	2.1
98.03194	1.1
99.04436	3.5
105.01859	6.7
105.07032	2.0
107.08593	8.6
108.08880	1.2
109.02873	4.8
109.06480	1.3
109.10161	7.4
111.08087	2.6
119.04949	19.1
119.08575	1.8
120.05288	11.0
121.10160	2.3
123.11724	10.0
125.02362	9.4
126.02713	2.8
127.03944	7.2
133.10124	3.9
137.05983	1.8
139.11174	4.3
143.03424	6.4
144.03748	3.1
145.04959	2.8
147.04419	85.1
148.04756	57.3
149.09618	1.1
151.11208	11.4
157.12135	1.4
165.05492	3.1
166.05748	1.4
169.12253	90.5
187.13338	5.6
201.16603	1.3
215.07016	1.3
233.67398	1.3
237.18347	1.4
249.05913	1.4
259.09470	1.2
260.09937	1.3
291.08615	2.1
292.08966	1.8
310.10101	2.8
343.12250	1.2
452.18347	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	452.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.2
53.01313	2.5
53.03944	4.4
55.05506	10.8
57.03426	5.9
59.05011	3.1
61.02940	3.1
67.05513	16.3
68.99803	3.5
69.03433	18.4
69.07059	11.5
70.03758	2.6
71.04993	35.0
73.02911	4.2
77.27177	2.5
79.05495	15.8
79.05855	2.1
81.03418	14.2
81.06597	3.8
81.07060	70.0
83.04993	4.9
83.08611	5.1
85.02905	36.1
85.06540	7.2
86.03263	3.5
87.00819	12.9
91.05472	17.4
93.07040	40.5
95.04970	7.6
95.08607	40.0
97.02894	23.4
97.06548	5.1
97.39889	2.6
98.20721	4.9
99.04440	6.7
99.08093	11.4
105.01882	14.2
105.07045	36.1
107.08606	28.9
109.02865	15.0
109.06522	11.7
109.10153	33.6
111.04397	2.7
111.08102	6.6
113.09648	5.4
119.08582	10.6
121.10130	22.8
122.10519	4.0
123.11710	46.3
125.09596	13.9
126.63686	2.7
127.03915	32.4
127.07545	6.8
127.11215	25.2
128.04199	4.5
131.08571	9.7
133.10139	74.7
135.11673	5.4
137.09572	2.6
139.11180	5.2
140.77287	2.4
143.10693	18.9
145.04930	13.8
145.10130	16.1
146.06024	16.5
147.11685	9.0
149.09583	5.6
149.13281	7.9
151.11189	100.0
153.01784	3.1
155.10648	8.2
159.02922	4.1
159.11711	9.7
161.13310	6.5
163.03906	10.9
167.10681	8.1
167.14322	16.7
168.11079	3.3
169.10854	4.0
169.12256	65.5
174.05536	11.0
185.11751	3.6
187.13315	24.0
189.09190	3.3
191.17831	3.4
201.16423	14.4
216.07439	3.3
219.17459	43.1
231.04984	10.4
237.18517	83.7
249.06096	3.3
255.19542	4.5
259.09451	4.7
260.10028	8.3
287.05441	12.6
288.05859	34.4
289.06094	28.9
290.06323	35.7
300.08725	8.0
392.51385	2.9
452.15945	9.3
452.21136	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	453.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.7
57.03428	2.8
57.07082	4.8
62.48788	1.7
63.14079	1.7
67.05511	23.5
69.03424	6.7
69.07066	5.6
71.04988	12.5
71.51665	1.9
73.07232	1.8
79.05499	10.3
81.03417	9.7
81.07067	100.0
83.04975	2.2
83.08624	8.4
85.02913	9.8
85.06557	7.9
89.06002	2.4
91.05502	4.9
93.07059	12.3
95.04967	7.2
95.08611	23.6
97.02879	3.7
97.10184	11.2
99.04479	2.1
99.50477	2.0
100.11273	20.7
105.07079	3.8
107.08635	9.9
108.39717	1.8
109.02888	7.3
109.06507	4.8
109.10151	5.1
111.08082	4.2
117.94044	1.9
119.04976	2.0
119.08629	2.1
120.05334	1.9
121.10153	3.6
123.10837	4.2
123.11720	71.3
127.03924	17.2
133.10127	4.9
141.12769	6.1
144.32600	1.8
146.86157	1.9
147.04457	9.0
148.04755	6.8
149.05009	3.1
151.11198	19.4
163.03922	7.3
164.95335	1.8
165.09158	2.7
167.07008	2.2
169.12253	69.0
169.15736	2.1
170.12544	2.9
182.15443	6.1
187.13307	30.7
209.16502	10.4
210.14888	10.4
226.19086	2.3
277.14346	2.4
291.13660	3.1
295.15384	13.1
296.17914	2.2
313.16476	6.5
331.17581	31.8
336.22903	3.4
435.33389	6.4
453.34427	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	453.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01872	3.0
55.05508	8.4
56.82540	0.7
56.96563	1.3
57.03433	4.7
57.07080	2.0
59.05007	0.8
61.02922	4.9
65.03940	1.0
67.05516	7.9
69.03439	19.9
69.07070	7.4
69.82466	0.8
70.50697	1.3
70.51048	1.8
71.05013	4.4
73.02914	2.1
77.03979	0.9
79.05502	7.1
81.03436	9.5
81.07068	15.8
83.04998	4.8
83.08624	3.4
85.02913	38.6
85.06555	6.4
87.04473	2.0
91.03959	2.3
91.05484	8.7
93.07061	18.6
95.04967	7.1
95.08611	18.0
97.02904	14.3
97.06542	3.9
97.10155	1.3
98.97588	3.4
99.04463	4.1
100.11264	0.8
103.03964	1.1
105.01857	1.1
105.07046	14.2
107.04948	1.5
107.08600	11.2
109.02888	8.3
109.06535	8.4
109.10177	7.2
111.04465	1.8
111.08093	55.1
116.98633	0.8
117.07038	3.7
119.08589	14.1
121.06522	2.6
121.10151	10.7
122.07313	2.2
123.08083	18.1
123.11716	3.4
125.05954	1.2
125.09666	1.3
127.03936	9.0
128.06250	1.6
129.06999	2.0
130.03296	0.7
130.07817	1.0
131.08583	7.2
133.06490	2.2
133.10158	11.8
135.08073	8.9
135.11687	4.5
137.06018	3.6
137.09669	4.3
137.13354	0.8
138.06383	0.8
139.07547	1.2
139.11209	0.9
140.55737	0.7
141.05449	1.1
142.07823	1.4
143.08534	4.2
145.04932	5.1
145.10139	10.6
147.08073	3.8
147.11691	7.6
149.09642	3.1
149.13252	2.3
151.07561	71.8
151.11122	1.5
153.09125	1.2
155.08591	1.8
156.09384	2.7
157.10123	5.2
158.10950	1.3
158.99631	1.9
159.08092	5.0
159.11679	5.2
161.09610	6.5
161.13246	2.8
163.03951	1.0
163.11206	10.5
163.14825	1.1
165.09151	3.4
169.10143	2.4
169.15880	1.0
169.20270	0.9
171.11705	7.5
172.12494	0.9
173.09700	1.5
173.13257	5.7
174.10422	4.7
175.07619	2.0
175.11174	3.8
175.14851	2.1
177.00790	1.1
177.09137	1.7
179.10689	8.8
181.10336	0.7
181.12286	2.9
183.10185	1.0
185.13307	1.4
187.11244	1.8
187.14769	3.8
189.12762	100.0
191.10777	1.3
191.14270	4.3
192.11452	1.2
195.11772	1.0
197.11760	13.9
197.13315	3.5
199.14795	1.3
201.16434	2.8
203.10710	1.1
205.08537	1.0
205.12283	3.5
205.15884	1.8
207.13818	57.7
211.14839	1.1
213.12817	0.9
213.16385	3.9
215.14342	3.6
215.17906	1.6
217.12321	4.1
227.17868	1.2
231.13869	1.2
231.17508	3.0
235.13319	5.4
237.16405	1.6
241.14578	1.3
255.17531	3.1
257.34515	0.9
265.15735	6.3
265.65915	1.1
267.21027	1.0
273.18524	44.1
274.16174	1.8
285.66910	0.9
291.19568	27.0
333.17358	0.9
337.96451	0.9
351.18427	0.8
369.19086	11.5
378.91263	0.8
407.33130	3.3
453.24887	33.9
453.34048	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05374	2.8
51.25100	2.5
53.03944	5.1
55.05519	18.6
57.03440	3.2
57.07077	7.7
58.05635	2.6
67.05515	28.3
67.05849	4.2
69.03437	11.1
69.07076	21.3
70.44783	3.1
70.58441	8.3
71.04992	3.5
78.97777	2.9
79.05489	17.8
81.03416	5.5
81.07061	58.1
83.04988	20.3
83.08606	14.1
85.02904	8.5
87.00822	5.1
91.05488	31.9
92.64737	2.6
93.07059	45.4
95.04998	8.0
95.08616	82.7
97.06551	6.3
97.10180	6.6
100.11274	8.2
100.82776	3.1
105.07040	73.2
107.08610	72.1
109.02869	4.7
109.06524	8.4
109.10155	49.8
111.08099	7.9
115.05477	4.4
117.07029	9.3
119.08591	94.8
120.22986	2.8
121.09322	5.8
121.10152	65.0
123.08074	4.2
123.11719	25.3
125.09642	11.2
127.03939	6.4
129.07004	6.7
130.07826	4.9
131.08569	34.6
133.10135	65.1
135.11702	28.6
137.05980	4.6
137.09648	5.8
137.13260	3.4
142.07819	3.2
143.08562	16.2
143.22099	2.7
144.09341	4.6
145.10146	85.4
147.11685	36.1
149.09616	5.1
149.13280	19.8
151.11203	7.8
153.09134	4.1
157.10143	17.8
158.10907	4.8
159.11710	56.7
161.13268	26.2
163.03886	5.9
163.14825	19.5
170.10959	3.5
171.11737	7.7
172.12468	5.9
173.13295	27.1
175.07489	3.4
175.14859	41.2
177.12723	2.8
177.16412	31.3
183.11664	4.0
185.13289	13.8
187.14827	100.0
189.16386	87.6
191.14323	16.9
191.17963	18.5
193.15913	5.4
197.13358	5.5
199.14792	19.4
201.16411	68.0
203.14497	3.7
203.17993	29.8
205.15887	49.4
207.17473	3.4
213.16409	33.2
215.18019	30.7
217.15889	14.8
217.19505	10.0
219.17484	47.0
227.17987	5.1
229.19524	4.0
231.17471	8.6
233.18982	4.4
235.16943	21.1
241.19557	8.0
243.21155	6.7
245.09352	3.1
247.16975	9.4
247.36916	2.9
249.18564	4.3
255.21169	5.4
257.18790	3.8
261.18533	8.3
267.21066	12.4
283.24158	3.2
389.32004	13.2
407.33069	75.9
409.34723	10.8
423.32565	4.5
435.32813	20.3
453.33694	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01853	1.8
55.05512	17.4
56.96548	1.6
57.07068	5.6
59.05001	1.3
65.03944	2.7
67.05508	23.1
69.03421	4.2
69.07070	19.9
70.00520	2.3
70.00919	2.1
71.04980	3.2
71.08627	2.0
77.03908	1.5
79.05493	19.1
79.38023	1.0
81.03421	3.0
81.07057	58.3
83.04980	20.5
83.08618	11.1
85.06544	2.4
86.36908	1.0
91.05479	32.2
91.06026	2.2
93.07046	53.6
93.07639	2.7
95.04967	6.7
95.08608	83.6
97.06536	5.0
97.10155	5.8
99.08086	1.7
99.52264	1.1
103.05456	1.8
105.07034	70.7
106.85003	1.1
107.08594	84.5
109.02856	1.9
109.06517	9.5
109.10161	53.8
111.08087	9.6
115.05463	2.7
116.06266	1.4
117.07035	13.5
117.07860	1.8
119.08585	100.0
121.06519	2.3
121.10149	65.2
123.08095	6.9
123.11715	28.0
125.09614	11.0
128.06212	2.3
129.07022	5.3
130.07803	3.5
131.08569	36.3
131.09546	2.3
133.10136	66.5
135.08041	2.9
135.11697	25.7
137.05968	8.5
137.09593	5.0
137.13266	3.0
142.07790	3.6
142.70204	1.1
143.08565	14.8
144.09337	4.2
145.10126	71.7
146.10899	1.4
147.08061	1.6
147.11688	37.1
149.09612	4.5
149.13261	17.1
151.03897	1.8
151.07542	2.5
151.11180	7.5
153.09135	4.2
155.08499	2.9
156.09367	3.0
157.10130	16.1
158.10870	3.8
159.11699	58.9
160.12262	1.6
161.05986	1.2
161.09605	2.8
161.13255	30.8
163.11230	4.4
163.14827	20.7
165.09123	1.9
165.12827	2.3
165.16408	1.4
167.10698	1.5
169.10172	3.0
171.11684	11.5
172.12402	3.1
173.13260	29.9
175.07602	1.8
175.11250	1.9
175.14824	36.8
175.16296	2.0
177.09088	1.6
177.12753	5.2
177.16382	24.7
179.00122	2.8
179.10683	2.5
179.14305	1.5
183.11699	4.1
184.12529	2.0
185.13235	9.7
186.14098	2.6
187.07549	2.5
187.14822	62.6
189.09055	2.1
189.16386	72.4
191.14311	18.4
191.17950	17.9
193.15906	3.8
197.01212	2.5
197.13344	5.1
199.14832	17.2
201.09076	1.5
201.16383	90.9
202.16852	1.7
203.14301	2.6
203.17958	20.1
205.08609	1.6
205.15880	38.8
205.19492	3.5
207.17456	6.2
209.13213	1.6
209.16655	1.3
211.14830	4.4
213.16386	36.4
215.14487	2.7
215.17964	39.0
217.15883	16.5
217.19391	9.6
219.17439	53.2
221.15390	1.8
225.16365	2.8
227.18021	8.3
227.79752	1.3
229.15919	2.5
229.19499	4.8
231.17458	6.4
231.21126	3.5
233.15312	1.4
233.19020	9.5
235.16925	22.0
237.16400	1.5
239.17917	3.4
241.19492	9.3
243.17355	1.5
243.21103	7.0
245.22595	1.6
247.16962	12.1
249.18561	1.7
253.19499	3.5
255.21027	6.6
257.18900	2.2
257.22797	2.3
259.16898	1.9
260.98441	1.9
261.18451	14.0
265.19608	2.6
267.21075	10.8
269.22595	2.7
281.22556	3.6
283.24185	1.3
293.22717	1.7
295.23895	1.2
297.99280	1.4
298.04428	1.4
299.19986	1.2
307.10043	1.3
311.23669	1.8
347.27280	1.5
371.11234	1.7
375.16296	1.7
379.33823	1.6
389.32123	16.3
391.33682	2.5
393.17264	1.3
407.18423	2.5
407.33112	79.4
409.34717	8.2
412.11362	1.5
415.10300	2.9
423.32559	4.6
425.19342	1.8
430.07480	2.1
430.12463	9.0
435.18146	1.6
435.32590	17.9
448.13712	2.5
453.19055	3.5
453.33667	51.4
454.33685	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.01896	2.4
55.05509	18.6
57.45905	2.5
67.05508	27.2
69.07075	20.0
69.24708	17.7
69.25111	6.1
76.32532	2.6
79.05495	19.6
81.07055	54.2
83.08610	11.8
83.85447	2.3
91.05478	17.1
93.07043	44.3
95.04998	4.0
95.08609	84.6
97.06533	11.0
97.10201	4.7
105.07047	48.6
107.08595	74.2
109.06522	4.0
109.10166	54.3
111.08100	25.5
117.07022	6.4
119.08593	71.7
121.10146	48.6
123.11708	18.1
125.09637	5.3
128.06200	3.3
129.07047	6.7
131.08571	27.0
133.10135	45.6
135.11700	21.9
137.05977	9.6
137.09647	3.9
137.13254	3.8
139.11220	5.2
142.07791	4.6
143.08540	15.7
144.09407	3.1
145.10129	69.3
147.11705	36.7
149.09639	3.9
149.13277	25.4
151.07661	2.8
152.40074	2.8
153.09105	3.5
155.08545	6.9
156.09477	4.2
157.10139	21.4
159.11707	36.4
161.05951	2.7
161.13266	31.8
163.07590	5.4
163.11238	3.7
163.14841	17.3
165.12741	5.3
167.14310	3.9
169.10164	14.4
171.11690	28.3
173.13251	28.8
175.14830	38.2
177.09198	4.1
177.12762	3.1
177.16451	16.5
179.14371	4.6
181.10150	4.5
183.11778	8.2
185.13252	12.8
187.14844	29.1
189.16360	29.1
191.17976	6.6
193.15863	4.3
195.11702	3.3
197.13242	12.7
199.14859	14.5
201.16393	44.1
203.18018	11.9
205.15866	8.1
207.17508	6.4
209.13391	3.2
211.14850	10.0
213.16356	26.8
215.17982	18.9
217.12241	5.0
217.15863	6.0
219.17496	14.3
223.14885	5.9
225.16380	10.1
227.18050	12.6
231.17616	6.3
233.19118	5.5
239.17928	14.1
241.19519	30.7
243.21208	5.7
245.15399	6.6
247.16965	18.2
251.18021	3.6
253.19621	10.9
255.21121	4.6
257.19000	3.1
259.16998	5.1
259.20605	8.2
261.18768	3.7
267.21164	15.2
269.22681	4.0
273.18506	5.7
281.22736	5.1
285.18600	14.2
287.20078	6.3
293.22723	7.9
299.20093	9.7
301.21616	4.7
311.23712	8.0
313.21735	7.6
315.23203	3.8
349.29108	4.5
360.81381	3.1
389.31912	16.7
395.29544	12.4
397.28461	2.9
407.33139	55.4
409.34509	3.9
423.32657	7.9
435.18835	3.1
435.32626	54.8
453.15762	4.7
453.33762	100.0
454.34427	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	453.3365
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
53.03933	2.2
55.05513	7.8
57.03425	1.6
57.07073	3.4
65.03934	1.6
67.05509	13.2
69.07072	8.8
70.64758	1.5
70.65090	2.0
75.74129	1.3
77.03925	1.5
79.05497	10.0
81.07058	28.3
83.04984	6.6
83.08617	5.3
85.06556	1.8
91.05486	14.3
93.07043	31.3
95.04965	3.8
95.08606	29.9
97.06529	10.1
97.10169	2.7
99.08088	1.4
100.86162	1.2
105.07037	36.1
107.08598	43.3
109.06524	5.0
109.10165	22.9
111.08081	5.3
117.07022	6.2
119.07712	1.6
119.08585	37.6
121.10149	39.5
122.03658	1.2
123.08080	3.7
123.11707	15.0
125.09605	7.0
129.06996	3.0
131.08574	16.6
133.10138	37.5
133.11115	2.5
135.11708	16.4
137.05988	11.8
137.13281	2.5
143.08595	7.1
144.09264	1.9
145.10129	23.7
147.11696	15.0
149.13229	6.4
151.11212	8.2
157.10162	6.6
158.10954	1.5
159.11688	20.3
161.13269	11.6
163.14804	6.4
165.12753	2.0
169.10199	2.4
171.11708	8.9
173.13260	18.2
175.07523	1.5
175.14835	22.8
177.16383	12.9
185.13252	7.5
187.07568	3.3
187.14812	18.0
189.16443	11.8
191.14311	5.1
191.17992	2.5
193.15895	4.4
197.13147	2.6
199.14806	12.0
201.16405	25.5
203.07111	3.6
203.18033	6.3
205.15909	4.3
213.16386	23.1
214.17204	7.3
215.17989	21.7
217.15956	1.9
217.19356	1.6
219.17398	6.7
225.16428	1.4
229.19638	1.8
231.17470	2.4
241.19501	6.8
243.21072	4.8
249.09135	1.6
255.21060	5.4
259.16980	1.7
267.21048	10.5
277.08630	2.1
281.22516	2.7
285.07718	2.9
293.08075	1.6
299.12839	2.4
307.09650	2.1
309.11154	2.9
325.10757	1.5
326.11380	3.0
327.12207	2.3
339.12421	1.6
370.29126	1.1
382.14063	5.0
389.32111	4.2
395.29330	1.3
405.16986	2.3
407.33109	100.0
408.33829	1.7
409.34738	4.3
435.18024	5.1
435.32468	8.8
450.34567	1.2
453.19379	6.6
453.33902	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.05505	11.8
57.07077	7.6
62.38265	2.3
62.90141	2.5
67.05500	21.7
69.07069	19.8
70.05829	3.5
70.06170	10.1
79.05489	20.8
81.07064	47.7
83.04999	17.7
83.08607	11.0
83.57365	2.8
91.05484	26.4
93.07051	46.2
95.04933	4.8
95.08608	80.2
97.06564	2.6
97.10162	4.8
105.06331	3.3
105.07036	66.8
107.08595	88.5
109.06527	7.4
109.10162	45.9
110.59135	2.7
111.08089	7.5
115.05424	3.1
117.06988	11.1
119.08585	100.0
121.10162	64.9
123.08086	3.6
123.11725	27.1
125.09644	11.8
129.07010	4.0
131.08563	33.0
133.09123	4.4
133.10138	68.2
135.11687	30.4
137.09608	4.3
137.13228	3.5
143.08577	17.3
144.09322	4.6
145.10139	67.7
147.11703	33.0
149.13274	12.5
151.11195	7.3
153.09076	5.7
157.10164	17.3
158.10973	3.6
159.10466	4.7
159.11696	62.9
161.13261	24.0
163.07570	3.7
163.11166	4.9
163.14798	11.2
169.10204	3.8
171.11717	12.7
172.12375	4.1
173.13281	35.7
175.14836	33.8
177.09143	4.9
177.16386	18.2
183.11604	3.0
185.13239	9.2
187.14857	61.2
189.16386	53.4
191.14297	16.9
191.17932	20.1
193.15906	4.5
197.13280	6.2
199.14815	15.1
201.14604	5.2
201.16388	72.9
203.14307	5.0
203.17960	20.1
205.15887	57.9
207.17384	4.7
211.14839	5.7
213.16406	38.1
215.17957	33.1
217.15849	6.9
217.19493	10.1
219.17464	50.9
225.16385	3.9
227.17903	3.7
229.15883	5.8
233.19131	5.4
235.16937	27.1
241.19518	8.0
243.21082	7.1
247.16937	21.0
255.21107	8.2
261.18494	6.0
267.21118	15.7
293.22549	2.8
311.23587	4.9
389.31827	11.8
407.33127	83.8
409.34537	5.5
435.32758	14.6
453.33670	44.4
454.86273	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	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33868	2.4
55.05512	16.5
57.07069	5.5
58.56567	2.3
67.05510	22.1
69.07070	18.7
70.03542	7.7
79.05511	19.2
81.07062	53.7
83.04996	23.6
83.08624	11.3
88.05823	2.4
91.05489	28.7
93.07053	50.6
95.04947	4.9
95.08616	81.9
103.05456	4.2
105.07040	70.2
107.08604	85.5
109.06526	5.5
109.10168	53.5
111.08076	7.7
117.07004	10.3
119.08596	100.0
121.10152	64.9
123.08109	6.6
123.11723	27.7
125.09657	14.3
129.06981	5.5
131.08569	32.9
133.10147	65.6
135.11720	26.3
137.09662	3.0
137.13338	4.2
139.07578	2.5
143.08577	16.5
144.09361	6.1
145.10130	77.5
147.11691	30.1
149.09616	5.2
149.13269	17.1
151.11209	7.6
153.09044	4.1
155.08533	3.7
156.25690	2.7
157.10098	15.6
159.11710	57.5
161.13252	30.2
163.14882	14.4
171.11696	12.2
172.12456	3.6
173.13283	37.6
175.14862	34.7
177.09109	4.9
177.16405	19.0
185.13307	7.0
187.14819	68.5
189.16408	58.1
191.14317	21.3
191.17931	19.2
193.15924	4.7
197.13303	4.6
199.14830	16.0
201.16394	72.9
203.14287	3.5
203.17972	22.7
204.02318	3.2
205.15887	72.0
207.17508	4.1
211.14795	2.7
213.16391	33.3
215.17972	33.9
217.14108	2.9
217.15886	15.0
217.19524	7.0
219.17459	46.8
227.17966	5.9
229.16031	3.7
229.19466	5.1
231.17487	4.7
233.19098	7.2
235.17020	23.2
239.18086	3.3
241.19510	6.3
243.21118	6.1
247.16933	14.9
255.21153	5.9
261.18454	13.5
267.21143	10.8
269.22546	3.3
281.22693	3.0
311.23526	3.3
322.07956	2.9
377.32404	3.0
389.32037	12.5
407.33136	72.0
409.34476	7.9
435.32742	19.7
451.03378	3.0
453.33640	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	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35730	1.8
53.03947	4.6
55.05508	18.1
57.03446	1.8
57.07060	5.2
65.03946	2.5
66.53260	1.3
67.05508	32.0
69.03436	5.6
69.07077	20.1
70.97141	3.5
71.04998	2.8
79.05492	22.6
81.03436	8.8
81.07059	60.7
83.04977	20.9
83.08621	10.5
85.02907	3.7
85.06552	3.7
91.05479	29.9
93.07044	57.1
95.04952	8.2
95.08611	100.0
97.02898	4.5
97.06527	8.7
97.10178	6.1
99.04440	2.3
103.05488	3.2
105.04536	1.6
105.07034	69.7
107.08598	83.1
109.02887	8.8
109.06525	8.2
109.10161	51.7
111.04440	2.6
111.08109	8.2
111.11686	1.9
113.09666	1.6
115.05431	2.0
117.07023	10.6
119.08586	96.3
121.06536	3.4
121.10148	61.7
123.08068	8.9
123.11707	27.0
125.02325	2.6
125.09638	12.7
127.03944	9.5
128.06236	2.7
129.07011	6.4
130.07799	1.7
131.08575	35.9
133.06516	1.5
133.10139	73.0
135.08054	5.3
135.11700	23.0
137.06003	6.3
137.09637	11.1
137.13237	3.7
142.07796	5.2
143.08566	17.0
144.09363	4.3
145.10130	69.7
146.10922	2.3
147.08070	3.2
147.10539	1.8
147.11694	36.2
149.09615	4.4
149.13252	18.3
151.07559	3.3
151.11165	7.5
153.09122	5.0
153.36319	1.4
155.08594	3.8
156.09305	2.7
157.10136	16.6
158.10974	1.6
159.08109	1.7
159.11699	56.3
161.09625	5.7
161.13271	26.2
163.07590	3.0
163.11226	4.6
163.14835	15.8
165.09102	14.4
165.16391	2.0
169.10141	3.8
170.10916	2.6
171.11688	11.9
172.12450	4.2
173.13275	34.6
175.11253	3.6
175.14838	38.2
177.09219	2.2
177.12733	3.3
177.16367	22.8
183.10188	1.8
183.11757	4.0
185.13187	8.2
187.11156	2.7
187.14833	58.2
187.16467	3.3
189.12756	2.7
189.16396	52.9
191.14308	21.1
191.16014	1.9
191.16333	2.5
191.17943	22.6
193.15950	3.1
193.31187	1.7
195.11981	2.3
197.13348	4.3
199.07516	1.9
199.14841	14.6
201.12636	1.6
201.16389	53.4
203.14340	11.5
203.17957	38.9
203.19783	3.3
205.15887	85.0
205.19464	5.9
207.17422	4.5
211.14851	3.8
213.16399	24.2
215.14508	1.8
215.17944	23.7
217.15941	12.3
217.19572	7.2
219.17436	31.1
221.15347	3.5
225.16377	2.5
227.17999	3.8
229.15910	4.2
229.19582	2.1
231.17441	3.0
231.21030	1.7
233.19031	6.5
235.16962	17.8
237.16397	1.7
239.17970	3.6
241.19557	6.3
243.21115	4.0
245.18971	2.9
247.16904	13.6
249.18520	6.7
253.19600	3.3
255.21091	5.6
257.19003	2.4
257.22852	1.8
261.18472	8.4
267.21091	7.7
283.20605	1.8
283.24194	3.1
293.22665	2.7
311.23785	6.2
379.33813	3.5
389.32108	11.2
407.33121	62.9
409.34613	7.1
423.32574	3.0
425.34384	1.8
435.32703	16.5
453.17636	7.5
453.33716	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12311	1.7
53.03943	5.6
55.01863	2.5
55.05510	16.9
57.03430	1.9
57.07100	4.0
59.04994	4.8
65.03941	3.3
66.92178	1.8
67.05506	36.2
67.53834	1.6
69.03429	11.9
69.07078	22.5
69.84419	10.5
71.04993	3.3
75.93301	1.8
77.03890	2.0
79.05492	22.8
79.16485	2.1
81.03420	23.3
81.07064	65.0
83.04989	15.3
83.08633	12.9
85.02905	8.6
85.06544	3.0
91.05484	35.0
93.07051	55.1
95.04965	12.9
95.08610	100.0
96.08955	2.1
97.02898	5.4
97.06535	13.8
97.10177	6.2
99.04474	3.3
99.08085	4.0
101.24179	1.6
105.07034	62.5
107.04976	4.3
107.08601	80.6
109.02874	22.7
109.06560	10.2
109.10165	56.3
109.10921	1.9
111.04439	3.5
111.08082	6.2
117.07008	13.6
119.04959	2.3
119.08586	90.5
121.06507	6.4
121.10152	58.6
121.11040	2.3
123.04438	2.2
123.08080	5.7
123.11724	23.5
125.02351	3.3
125.05995	2.3
125.09624	9.1
127.03957	14.3
128.06247	3.8
129.06989	4.8
130.07817	3.0
131.08574	35.0
133.10139	61.3
135.08083	9.7
135.11703	26.6
137.05978	15.1
137.09627	13.3
142.07919	2.2
143.08575	16.0
143.37744	2.4
144.09367	2.4
145.10126	63.8
147.03152	1.8
147.04446	7.7
147.08076	6.6
147.11702	43.3
149.09627	6.2
149.13261	19.4
151.03883	2.3
151.07564	6.2
151.11194	6.3
153.09082	4.8
153.12799	2.7
155.10634	4.0
156.09357	4.1
157.10143	16.1
159.08040	3.1
159.11694	46.3
161.06149	3.2
161.09666	3.8
161.13293	28.7
163.03957	2.3
163.07568	3.0
163.11211	4.9
163.14853	11.7
165.05440	2.9
165.09114	33.1
167.10706	2.5
169.10139	4.7
171.11708	11.3
173.09581	2.7
173.13269	27.2
175.07600	3.6
175.11232	4.2
175.14812	39.8
177.09151	6.3
177.12756	2.7
177.16394	24.1
179.14268	2.2
180.09251	1.9
182.15465	2.3
183.10240	2.9
183.11688	3.9
185.13240	10.5
187.07455	2.4
187.11220	2.3
187.14830	59.8
189.12810	3.7
189.16386	49.5
191.14285	11.0
191.17899	15.6
193.15892	3.5
195.11749	2.5
197.13295	5.1
199.14836	17.0
201.11162	2.5
201.12898	2.0
201.16400	58.8
203.10841	2.1
203.14339	7.2
203.17944	29.2
205.12253	2.2
205.15884	62.0
207.17412	3.9
209.13293	3.0
210.14883	2.7
211.14792	4.0
213.16396	26.0
215.14275	3.1
215.17995	21.8
217.15857	8.5
217.19543	8.1
219.17435	26.8
223.14902	2.8
227.17943	4.9
229.15868	2.7
229.19542	3.4
231.17432	4.7
233.19012	6.9
235.16943	11.0
239.17998	4.0
241.19537	6.1
243.21078	3.7
245.22632	2.7
247.16910	11.3
249.18672	2.3
253.19476	2.4
255.21210	3.4
259.20670	2.2
261.18488	6.9
267.21109	9.1
269.22668	2.6
273.18414	2.6
281.22729	2.2
291.12338	2.8
291.19455	2.1
299.12881	4.5
309.13367	3.2
311.23816	3.6
335.17776	1.9
364.40387	2.0
389.31888	6.8
407.33075	58.5
409.34631	10.5
423.32584	3.9
435.17764	4.1
435.32718	18.6
453.18472	16.7
453.33710	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03948	3.1
55.05510	18.6
57.07082	5.3
59.06798	2.2
67.05512	29.0
69.07069	18.2
79.05503	23.0
81.07066	60.4
83.04989	5.3
83.08628	9.8
84.73491	2.0
91.05482	24.6
93.07059	48.4
95.05009	3.8
95.08614	87.1
96.29404	2.1
97.06570	3.9
97.10157	5.2
100.32168	2.0
105.07037	50.5
105.07697	3.7
105.38551	2.4
106.04559	2.7
107.08605	75.5
109.06535	7.2
109.09401	2.8
109.10164	55.0
111.08097	21.9
117.07048	6.9
119.08590	71.7
121.10159	44.6
121.11038	2.5
123.08154	4.1
123.11714	15.6
125.09664	6.0
128.06245	3.4
129.07039	10.6
131.08568	31.5
133.10136	46.2
135.11705	23.5
137.09627	3.4
137.13254	5.3
139.11220	7.7
142.07855	2.6
143.08543	18.7
144.09392	2.8
145.10136	79.1
147.08044	2.7
147.11703	38.7
147.12823	3.5
149.09734	2.3
149.13245	29.0
149.14241	2.7
151.11179	3.2
155.08601	7.8
156.09325	2.5
157.10155	21.9
159.11708	46.2
161.09570	2.4
161.13243	32.7
163.11263	3.2
163.14827	18.9
165.12865	5.2
167.08635	2.8
169.10159	14.9
171.11694	39.8
173.13275	32.8
175.14847	45.9
177.09100	3.2
177.16385	14.1
179.14322	3.2
179.19789	2.4
181.10149	3.1
183.11748	13.8
185.13272	14.0
186.14180	2.9
187.14827	32.4
188.15160	2.4
189.16412	34.4
191.17986	7.7
193.15935	3.4
195.11653	3.3
197.13277	9.1
199.14862	24.3
201.16406	45.3
203.10873	2.9
203.14406	2.7
203.17981	19.0
205.15874	10.6
207.17479	5.0
209.13278	5.0
211.14868	7.0
213.16391	31.8
215.14398	3.5
215.17931	21.2
217.12343	3.9
217.15950	8.4
217.19627	2.3
219.13960	3.5
219.17484	12.8
221.13373	2.6
221.15509	5.1
223.14775	3.5
225.16414	7.1
227.18002	12.8
229.19542	3.8
231.17482	7.7
233.19083	7.2
235.16977	6.6
237.16495	3.4
239.18008	15.7
241.19550	37.8
243.21150	7.9
245.15428	6.6
247.16977	13.0
251.17993	3.2
253.19467	11.2
255.21156	8.8
256.71976	2.3
257.19180	4.1
259.17062	6.1
259.20673	9.5
261.18643	6.2
265.19571	4.8
267.21088	17.6
269.22644	6.1
271.20691	2.7
273.18579	4.6
279.21109	3.6
281.22662	6.8
285.18555	16.9
285.21487	3.3
287.20096	7.0
293.22659	5.2
295.23917	2.7
299.20151	8.3
301.21527	4.3
311.20349	3.0
311.23734	9.3
313.21634	8.9
315.23206	3.0
325.21643	3.3
349.28973	6.6
353.24890	4.0
389.32147	12.8
391.34012	3.2
395.29520	11.8
407.33145	59.6
409.34634	6.2
417.30698	2.7
423.32639	3.9
435.32629	44.8
453.33734	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	453.3366
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
53.03938	1.5
55.05514	5.9
57.07058	2.2
67.05505	8.2
69.07071	7.2
71.04976	0.8
71.08667	0.8
71.38340	1.1
71.38655	0.8
78.86810	0.7
79.05498	5.2
81.07060	20.0
83.05002	1.0
83.08627	4.1
91.05470	6.1
93.07053	13.7
95.04962	1.3
95.08612	30.1
95.76375	0.7
97.06526	0.7
97.10166	2.0
105.07040	16.6
107.08604	21.2
109.06519	1.5
109.10159	16.9
111.08091	1.5
117.07033	2.3
119.08590	19.1
121.06499	2.1
121.10163	17.3
123.04482	1.0
123.08058	2.1
123.11712	9.8
125.09647	1.3
129.07030	1.7
130.07811	0.7
131.08585	7.2
133.06494	1.3
133.10141	15.5
134.26198	0.8
135.08086	1.7
135.11696	10.3
137.13255	9.1
143.08569	4.6
145.10121	11.2
147.08058	1.3
147.11700	9.1
149.09668	1.2
149.13254	7.7
151.11240	0.9
151.14838	1.6
153.09023	0.8
155.08644	1.7
156.09242	0.9
157.10138	7.9
158.10886	0.8
159.08078	1.3
159.11696	10.6
161.09624	4.7
161.13255	8.6
163.14821	2.7
165.12762	1.2
169.10153	3.4
171.11674	5.2
173.09602	1.3
173.13278	8.3
175.11266	1.6
175.14830	13.0
177.12849	0.9
177.16455	3.8
179.17937	0.8
181.10081	1.0
183.11711	2.7
184.12643	0.7
185.09587	0.9
185.13281	4.0
187.11232	1.5
187.14824	6.5
189.12628	0.9
189.16408	8.3
191.14288	1.1
191.17976	4.8
195.11687	2.1
197.13295	3.2
199.14839	6.3
201.12830	0.8
201.16373	7.2
203.14407	1.7
203.17966	2.6
205.15825	1.0
207.11670	0.9
207.17441	0.8
209.13277	2.0
211.14841	2.8
213.12752	1.1
213.16420	4.1
215.14409	1.6
215.17986	9.3
217.15884	10.5
217.19475	1.1
219.17448	3.0
221.15343	1.1
223.14894	2.0
225.16373	2.4
227.14333	1.0
227.17955	3.7
229.15944	1.4
229.19601	3.1
231.17493	1.1
233.19028	0.8
235.17041	0.8
237.16437	2.1
239.17998	2.1
241.19490	2.7
243.17491	1.3
243.21190	1.0
246.34352	0.7
247.16933	1.2
249.14938	0.8
251.17931	1.6
253.19554	2.5
255.17522	1.9
255.21124	2.0
257.19077	1.1
259.17035	1.1
261.18671	1.1
265.19608	1.0
267.21085	2.9
269.18924	1.0
273.14810	1.1
273.18512	1.8
275.20053	1.8
277.19391	1.1
281.22519	1.0
283.20377	0.8
285.18616	0.9
287.58554	0.7
293.22626	2.5
299.19925	0.9
301.17975	2.6
301.21466	1.0
311.23752	3.1
312.31802	0.8
313.21692	1.5
323.23770	0.9
337.21283	0.8
357.24951	0.9
389.32016	8.2
407.33102	22.3
417.31528	1.0
423.32523	0.9
435.32635	17.0
453.33667	100.0
454.34177	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	453.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
53.61844	1.6
55.05515	17.1
57.07067	5.1
57.93242	1.6
58.67834	1.6
65.03931	2.9
67.05505	27.6
69.03416	2.8
69.07072	19.7
69.36160	12.2
78.04247	1.8
79.05495	20.2
81.03432	2.1
81.07060	56.1
83.04990	19.5
83.08619	9.4
85.02906	2.2
91.05473	27.6
93.06487	3.4
93.07050	54.7
95.04959	7.8
95.08607	87.6
97.06516	3.6
97.10162	4.0
105.07034	78.0
105.45934	1.7
107.08597	86.4
109.06530	8.0
109.10156	48.4
111.08073	7.1
111.41267	1.7
117.07022	11.6
119.08585	100.0
121.10146	66.9
123.08063	5.8
123.11710	28.5
125.09649	8.9
129.07007	6.7
130.07762	2.4
131.08563	37.0
133.10129	73.3
135.08047	5.1
135.11699	34.7
137.09616	4.5
137.13257	3.2
141.07008	2.9
143.08571	15.3
144.09334	3.4
145.10129	66.9
146.10826	2.2
147.08055	2.1
147.11691	38.9
149.09666	4.3
149.13258	19.2
151.11147	7.0
153.09122	5.4
155.08549	2.2
156.09331	2.7
157.10124	20.0
158.10934	6.0
159.11697	63.4
161.09634	1.7
161.13240	27.6
163.11182	4.7
163.14835	16.2
165.09189	3.1
165.16391	2.9
169.10095	6.2
171.11699	14.4
172.12492	3.6
173.13254	33.9
175.14827	38.3
177.12653	2.0
177.16382	28.4
183.11684	4.5
184.12463	2.3
185.13275	7.9
187.14824	64.6
189.12769	2.1
189.16380	60.7
191.14323	21.7
191.16006	2.3
191.16313	2.0
191.17957	20.2
193.15884	3.2
195.11652	2.0
197.13293	3.4
199.14862	16.3
201.16383	57.9
202.16730	2.1
203.14282	9.8
203.17964	34.0
205.15880	84.4
205.19585	3.3
207.17537	4.7
213.16362	27.0
215.14429	2.5
215.17953	31.4
217.15875	11.7
217.19453	9.3
219.17450	37.2
225.16547	2.7
227.17944	7.3
229.15984	4.7
229.19461	4.0
231.17383	4.3
233.19057	9.0
235.16936	24.2
239.17847	2.8
241.19551	8.6
243.21112	5.8
247.16954	10.3
249.18387	4.2
253.19386	3.0
255.20976	6.4
257.22702	2.6
259.16913	3.0
261.18500	11.8
267.20996	10.0
283.20828	2.2
283.24265	2.6
289.21463	1.9
293.22723	2.5
311.23810	3.4
315.05032	2.1
379.33536	3.1
389.31924	13.0
407.33072	81.9
409.34628	8.8
419.20715	1.9
423.33011	3.0
435.32529	16.2
453.33661	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
53.03931	4.6
55.05513	23.9
57.03434	3.2
57.07070	3.4
66.84225	3.4
67.05508	18.6
69.03402	4.0
69.07066	34.8
73.04037	3.6
79.05487	17.8
81.07060	47.5
83.04995	4.4
83.08617	19.6
91.05491	22.7
93.07056	29.7
95.08609	56.8
97.06523	8.1
97.10165	8.9
99.08086	5.2
105.07040	43.2
107.04989	4.3
107.08605	59.4
109.06487	6.1
109.10175	21.3
117.07021	11.8
119.08586	69.0
121.06547	3.5
121.10129	47.8
123.11675	12.1
125.09611	10.2
129.07019	5.5
131.08571	31.0
133.10141	34.9
135.08052	11.6
135.11719	22.3
137.09637	5.4
137.13280	6.5
139.11198	7.3
143.08554	13.8
144.09331	6.0
145.10136	63.3
147.11740	21.0
148.42995	3.3
149.13240	18.5
156.09341	4.1
157.10136	37.7
159.11710	34.8
161.09644	6.8
161.13261	11.5
163.11172	4.0
163.14815	10.0
167.14287	4.0
169.10138	6.6
171.11668	18.7
173.13300	23.7
175.11176	6.2
175.14809	29.3
177.16359	19.9
179.14275	3.9
183.11707	13.9
185.13225	14.8
187.14816	100.0
189.11209	5.1
189.16365	38.1
191.17950	10.2
197.13246	10.5
199.14793	15.7
201.16409	54.4
203.17969	8.1
205.15796	8.7
209.13197	4.2
211.14844	7.1
213.16435	11.0
215.17863	9.7
217.15852	24.3
219.17442	22.2
223.14828	6.7
225.16284	4.6
227.18005	8.0
233.19005	30.2
235.16826	5.6
239.17859	5.7
241.19493	6.1
247.17078	8.2
251.17941	8.0
253.19659	9.2
259.20462	4.3
267.21249	5.9
278.05652	3.4
281.22559	6.1
293.22357	4.1
311.23636	25.0
319.24307	5.4
327.23154	6.8
337.25110	6.6
389.32101	65.0
407.33170	95.4
435.32629	63.4
453.33737	73.1
464.65143	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	453.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35843	3.5
55.05508	16.7
56.56633	3.8
57.07077	3.8
57.59404	4.2
67.05519	24.6
69.07063	20.5
69.61298	19.8
79.05493	10.9
81.07070	43.0
83.08598	11.4
89.06014	11.3
91.05465	17.5
93.07047	34.2
95.08617	93.5
97.10142	5.0
100.11224	4.5
105.07040	42.8
107.08603	52.1
109.10158	47.5
109.26402	4.5
111.11700	4.5
117.06976	4.0
119.08600	68.8
121.10143	33.5
123.11673	13.3
131.08559	13.1
133.10135	39.3
135.11696	35.8
137.13269	6.1
145.10117	17.7
147.11700	36.6
149.13240	12.7
159.11694	25.3
161.13263	27.9
163.14868	19.2
173.13274	16.3
174.71426	4.6
175.14857	53.8
177.16447	18.7
187.14809	21.4
189.16399	100.0
191.17926	30.4
201.16373	21.0
203.17953	51.9
213.16356	4.2
215.17941	10.6
229.19534	9.6
241.19521	5.7
243.21034	5.7
249.18480	7.3
255.20966	4.9
257.22546	7.0
297.25723	17.6
337.73285	4.5
347.48309	3.8
351.30423	7.6
393.35089	37.0
453.36996	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	454.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.6
55.05514	2.3
57.07080	0.5
59.04996	1.6
67.05498	0.5
69.03427	1.0
69.07087	3.2
70.30061	1.8
71.04998	15.3
73.06559	3.4
79.05507	3.7
81.03386	0.8
81.07064	20.0
82.46522	0.4
83.08654	0.7
85.02914	3.2
87.00819	1.4
91.05482	1.9
93.07050	13.5
95.08611	1.8
97.02888	0.8
97.06519	1.2
105.01884	3.7
105.07018	0.8
107.08607	9.2
109.02857	0.8
109.10167	2.2
111.54580	0.4
127.03911	2.1
135.11702	22.4
136.12061	0.6
145.04973	1.3
153.12758	100.0
154.13104	1.0
171.13806	0.7
231.05043	1.2
239.12660	0.6
240.13779	0.5
249.06142	1.0
335.67786	0.5
343.56738	0.4
454.19183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58385	0.8
52.73735	0.7
53.03941	1.2
55.05499	2.3
57.03439	0.9
57.07082	1.0
59.05010	1.9
59.77145	0.7
67.05507	1.1
69.03430	1.6
69.07058	2.9
70.76247	1.1
70.76595	1.3
71.05001	14.2
73.06554	2.9
79.05494	4.7
81.03429	1.2
81.07065	19.9
84.08149	0.9
85.02901	3.7
85.06550	15.6
87.00826	3.2
91.05478	2.2
93.07053	15.0
95.08606	2.9
97.02910	2.0
97.06525	3.8
103.07565	1.0
105.01862	5.4
105.07044	1.0
107.08600	10.0
109.02863	1.0
109.06551	1.0
109.10134	2.7
111.08086	1.0
123.04444	1.0
123.84687	0.8
127.03896	2.5
135.11694	22.3
135.12737	1.3
145.05011	1.2
151.03923	0.8
153.12753	100.0
162.64482	0.7
164.07219	0.8
171.13809	2.4
206.08063	1.1
208.09650	1.0
225.18225	0.8
231.05042	1.4
249.06087	1.6
292.15466	0.9
310.78891	0.7
453.71671	0.9
454.18716	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	454.2932
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05509	2.3
57.03444	3.8
57.06802	1.1
57.07081	21.2
62.06094	22.0
63.80351	0.5
67.05515	3.9
69.07080	3.4
71.08639	13.4
77.43044	0.5
81.07070	6.5
83.08634	4.6
85.10190	8.2
89.06031	1.0
95.08611	8.0
97.10164	2.7
97.18813	0.7
98.20725	1.1
98.98492	5.2
107.08603	1.1
109.10181	3.3
119.08614	1.2
123.11693	1.2
124.01614	2.0
131.06868	0.5
137.13217	0.6
142.02602	1.2
155.01054	6.0
198.05339	1.0
216.06357	2.9
229.45439	0.9
239.23705	1.3
249.37637	0.6
259.77997	0.6
282.27939	10.1
313.27393	100.0
314.27768	2.1
393.24023	7.7
436.28271	4.9
454.29230	1.9
454.34552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92640	0.6
69.94918	0.5
70.28172	0.8
70.28537	1.8
73.21664	0.5
79.43518	0.6
85.64619	0.5
112.89623	21.3
119.02004	0.7
125.03183	0.5
140.03127	0.6
143.01959	1.3
155.01723	0.5
161.02962	1.7
182.55133	0.6
203.04015	1.8
233.05080	0.5
263.06149	1.2
275.06116	3.3
284.06830	0.9
305.07175	0.7
365.09372	1.1
375.35178	0.6
448.02463	0.6
455.11667	100.0
456.12006	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	455.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20037	0.7
53.03946	4.0
55.01865	3.4
55.05503	2.9
57.03428	3.2
57.07074	0.9
59.04997	1.2
61.02916	1.7
67.05509	4.3
67.28354	0.8
68.99776	1.1
69.03431	17.4
69.07063	4.8
70.06590	1.1
70.08637	0.8
70.63976	2.4
71.04986	2.4
73.02912	2.1
79.05492	5.4
81.03426	11.0
81.07055	8.1
83.04980	5.8
83.08592	1.4
85.02907	23.7
85.06538	2.5
87.00825	6.6
91.03936	1.7
91.05489	7.6
93.07049	9.1
95.04961	2.9
95.08607	6.8
97.02902	7.3
97.06540	2.7
99.04464	4.6
103.05466	1.5
105.01875	5.3
105.07030	31.8
107.04951	1.6
107.08591	8.6
109.02890	10.5
109.06519	3.7
109.10149	3.6
111.04440	1.5
111.08088	1.7
117.07011	2.3
119.04929	3.1
119.08585	19.1
120.08902	1.1
121.06503	3.7
121.10150	7.6
123.04403	1.1
123.08072	3.1
123.11688	1.7
125.09589	1.0
127.03919	15.5
128.06241	2.4
129.07042	3.0
131.08585	5.2
133.06509	6.0
133.10129	8.8
135.08070	4.5
135.11703	3.2
137.05984	1.9
137.09628	1.5
137.13257	1.0
143.08556	3.3
145.04979	3.5
145.06528	1.0
145.10143	9.2
147.04442	1.3
147.08073	5.9
147.11681	12.7
149.05960	1.5
149.09633	1.9
151.07559	4.2
151.11217	1.0
156.09343	3.9
157.10126	1.5
159.02921	3.7
159.08116	1.1
159.11714	9.8
160.08829	2.3
161.09607	5.7
161.13271	6.1
163.03879	1.9
163.11188	22.0
163.12555	1.3
165.09140	2.5
169.10097	1.2
171.11684	6.2
173.13281	1.7
175.11263	1.0
177.12772	21.1
187.11111	1.1
189.12775	15.6
191.14308	5.3
201.16383	1.1
203.10544	1.0
207.13815	100.0
219.49304	0.9
231.04922	1.8
267.13589	1.0
275.20084	1.4
293.21158	1.5
409.33862	1.4
427.17468	0.9
429.56750	0.9
455.19315	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	455.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32722	0.5
53.03947	3.1
55.01872	0.9
55.05494	2.0
57.07075	0.6
61.02933	0.5
65.03930	0.7
67.05512	1.1
69.03428	11.4
69.07058	2.0
69.21608	0.9
69.22012	3.6
76.91291	0.4
77.03921	0.9
78.88190	0.5
79.05491	9.5
79.81792	0.5
81.03416	3.7
81.07052	2.1
83.04985	6.4
83.08610	0.9
85.02907	5.8
87.00827	2.2
91.05471	3.7
93.07040	3.1
95.04985	1.4
95.08586	1.7
97.02888	1.8
97.06515	1.1
98.20798	1.1
99.04441	1.0
103.05488	2.6
105.01895	1.4
105.04501	0.7
105.07050	7.7
105.11162	0.5
107.04965	1.0
107.08606	8.4
109.02905	3.0
109.06516	1.3
117.06990	1.4
119.08586	4.9
119.09400	0.7
121.06518	5.4
121.10148	5.0
123.08060	1.7
127.03917	5.2
128.06195	0.5
129.07024	1.0
131.08566	3.3
133.06496	100.0
133.10106	3.5
134.06816	0.6
135.08043	6.2
135.11665	0.9
136.08850	0.6
143.08582	1.7
145.04988	1.5
145.10098	1.5
147.08060	1.7
147.11720	2.9
149.09634	2.4
149.13260	2.0
151.07512	0.8
151.58742	0.5
158.10890	2.3
159.02907	2.1
159.08145	1.3
159.11765	0.5
160.08801	0.6
161.09625	2.3
163.11169	5.7
163.14877	0.6
173.13266	5.3
174.10393	0.9
189.12741	22.1
191.14310	51.3
192.14667	0.8
203.14134	0.6
207.13809	16.9
214.39355	0.6
231.04919	0.6
263.66510	0.5
297.14749	1.0
315.15863	0.8
319.02908	0.5
321.45724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03950	0.6
55.05514	2.8
56.83992	0.5
57.03425	0.5
57.07076	0.8
67.05512	3.9
69.03448	1.1
69.07080	3.1
69.60747	3.1
79.05503	2.5
80.76226	0.5
81.07073	6.8
83.04973	3.4
83.08604	1.8
85.06580	0.5
91.05497	2.5
91.19591	0.5
93.07053	7.1
95.04991	1.5
95.08614	13.7
97.06529	1.3
97.10185	0.5
105.07042	7.1
107.08600	10.4
109.06516	0.9
109.10171	7.2
111.08047	1.0
117.07014	0.6
117.87455	0.5
119.08597	8.4
121.06568	1.0
121.10156	7.8
121.85072	0.5
123.08073	1.0
123.11742	3.3
125.09656	0.8
131.08534	2.3
133.10139	7.0
135.08064	2.0
135.11690	5.9
137.09593	0.6
137.13269	0.8
139.11212	0.6
143.08574	1.7
145.10138	5.3
147.08092	0.7
147.11694	4.5
149.09613	2.8
149.13303	2.9
151.11330	0.5
155.10126	0.5
157.10184	1.6
159.08092	0.6
159.11713	4.3
161.09636	1.8
161.13266	3.0
163.11172	0.8
163.14838	1.5
165.12820	0.7
169.10213	0.8
171.11714	1.9
173.13303	2.2
175.11220	1.1
175.14851	5.3
177.12810	0.9
177.16357	3.3
179.14316	0.9
183.11725	0.8
185.13239	1.3
187.11191	0.6
187.14862	2.0
189.12738	0.9
189.16380	6.4
191.14368	0.7
191.17978	3.4
195.11635	0.8
197.13301	0.8
199.14890	1.6
201.16415	3.2
203.17978	1.1
205.15926	1.4
207.17377	0.7
213.16434	0.7
215.18047	0.9
217.15921	1.4
219.13869	0.6
219.17410	1.4
221.15471	0.5
227.17906	0.7
229.15952	1.0
231.17686	0.5
235.16966	2.3
243.17511	0.8
247.17012	1.8
255.21335	0.5
259.19818	0.6
273.21979	0.6
283.20621	1.2
285.21967	0.6
301.21661	1.9
409.35095	0.6
427.35651	0.9
437.34113	2.3
455.35251	100.0
456.35706	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	455.3523
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
55.05519	17.0
57.07067	6.2
60.07128	1.9
63.32734	2.0
67.05501	21.8
69.07076	24.4
69.24979	3.7
69.25387	16.5
79.05482	16.0
81.06599	3.1
81.07064	62.7
83.08620	12.0
87.49439	2.0
91.05479	16.2
93.07052	41.9
95.08613	100.0
96.65755	2.2
97.06545	3.5
97.10175	4.1
98.21644	3.7
105.07037	35.6
107.08602	72.8
109.10162	46.7
111.08095	5.9
111.11684	3.2
117.07001	3.4
118.97494	2.3
119.08588	57.8
121.09346	3.3
121.10152	52.9
123.08035	3.0
123.11721	20.3
123.52348	2.2
129.07028	3.9
131.08572	14.6
133.10139	43.1
135.11702	38.0
137.13261	16.0
139.11201	16.3
143.08580	6.5
145.10132	27.7
147.11708	32.9
149.13274	41.4
151.11191	3.0
153.09074	3.0
157.10106	8.1
159.11711	22.7
161.13261	23.9
163.07527	3.3
163.14809	25.8
164.40802	2.0
164.50909	2.6
165.12683	4.6
169.10121	3.5
171.11723	13.5
173.13203	20.6
175.14822	19.5
177.09142	4.5
177.16389	39.7
179.14343	7.4
183.11743	2.7
185.13249	9.2
187.14838	20.4
189.16393	46.1
191.17960	14.3
193.15907	2.6
195.17450	20.5
197.13301	2.9
199.14757	11.5
201.16391	30.6
203.17961	40.0
205.19516	4.0
207.17502	9.6
211.14711	2.9
213.16451	10.9
215.18018	18.1
217.19510	7.4
219.17433	4.3
221.18996	7.6
225.16290	3.4
227.17947	5.2
229.15863	5.9
229.19545	12.0
231.20944	3.1
233.15388	4.8
235.16983	5.2
239.18037	3.6
241.19519	10.3
243.21149	9.6
247.16965	24.4
249.18417	2.6
253.19574	5.1
255.21068	9.2
257.22684	3.2
259.16873	9.7
261.18640	6.2
267.21088	4.1
269.22580	4.0
275.20029	6.5
287.20013	5.5
289.21487	4.8
295.24380	3.1
301.21484	5.2
303.23389	2.6
309.25549	2.4
315.23041	3.2
349.28629	3.0
367.65234	2.4
391.33585	16.2
409.34671	44.4
425.33850	3.0
428.60449	2.7
437.34183	53.0
455.35471	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	455.3522
Annotation	Lamesticumin C
Peak:m/z	Relative Intensity
54.52634	3.8
55.05073	3.2
55.05523	17.4
55.39008	3.4
65.03954	3.1
67.05505	21.9
69.07072	29.0
69.07400	5.0
69.67251	15.1
69.67665	6.2
79.05495	14.7
80.04488	3.2
81.07064	59.7
83.08630	16.3
89.94387	3.5
89.95057	3.1
91.05489	18.5
93.07047	52.7
95.08610	100.0
97.10176	10.7
98.21585	5.9
105.07033	55.4
107.08605	70.2
109.06528	5.6
109.10168	50.9
111.08086	91.2
117.07079	6.6
119.08588	74.6
121.10143	50.9
123.11687	21.7
131.08568	21.6
133.10141	52.0
135.11678	36.1
137.13258	5.6
139.11191	14.7
143.08566	7.4
145.10127	45.4
147.11696	49.2
149.13272	49.1
153.09114	6.0
157.10193	6.0
159.11699	28.5
161.13260	42.2
163.14816	30.3
171.11708	3.6
173.13283	25.8
175.14845	29.4
177.16409	40.9
183.11725	4.4
185.13342	4.5
187.14822	26.6
189.16396	83.1
191.17982	14.4
199.14836	5.0
201.16406	52.8
203.17960	73.1
205.15858	10.7
205.19519	5.2
207.17456	16.6
213.16431	10.6
215.17949	26.8
217.15802	4.7
217.19630	7.1
219.17505	13.5
221.18954	16.4
227.17987	7.1
229.19547	7.2
231.17554	5.9
235.16859	6.5
239.18091	3.5
241.19572	7.2
243.21161	9.4
247.17023	13.2
249.18526	13.0
261.18414	6.9
315.23151	4.5
391.33545	12.2
397.31003	9.5
409.34686	66.5
425.33997	12.4
437.34149	47.5
455.35370	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	455.3523
Annotation	Oleanonic acid
Peak:m/z	Relative Intensity
55.05508	6.1
57.07075	2.0
60.23372	1.3
62.42424	1.4
67.05502	8.4
69.07064	9.4
69.67023	4.3
69.67435	3.5
70.00551	1.5
79.05492	6.3
79.25807	1.3
80.06264	1.4
81.07064	20.0
83.08623	4.9
91.05506	6.9
93.07053	16.3
94.76149	1.4
95.08615	39.0
97.10198	1.9
101.55539	1.6
105.07041	16.5
107.08605	37.6
109.10165	19.4
111.08096	1.7
117.07002	2.2
119.08582	25.0
121.10146	28.8
123.11719	8.1
131.08600	4.8
133.10126	24.8
135.08060	2.6
135.11703	12.6
137.13275	2.0
144.09303	1.6
145.10127	11.8
147.11696	18.0
149.09641	1.9
149.13261	15.4
159.11714	9.4
161.13280	14.2
163.11223	7.4
163.14835	15.0
167.10669	2.6
171.11757	2.3
173.13269	6.0
175.11386	1.6
175.14827	14.6
177.12735	1.8
177.16403	30.2
185.13257	2.6
187.14827	13.3
189.16377	23.0
191.17908	9.2
199.14809	1.4
201.16423	11.0
203.17966	77.4
205.15895	54.8
205.19453	3.2
207.17491	4.9
213.16400	2.9
215.17961	6.1
217.15965	1.9
217.19475	1.9
219.17412	5.1
231.17503	1.8
235.17000	2.7
247.17134	2.0
247.20422	1.4
249.18512	9.6
381.35034	2.1
391.33627	5.3
409.34689	100.0
410.35007	1.8
425.34073	2.0
437.34473	9.4
455.35556	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	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.2
55.19867	0.7
57.07069	0.9
67.05513	4.5
69.07077	5.0
70.51953	0.7
70.96967	1.8
70.97290	0.9
71.81812	0.8
79.05495	5.9
81.07047	7.3
83.08617	2.7
91.05473	3.5
93.07057	11.1
95.04951	0.8
95.08613	24.7
97.10166	1.8
105.07034	8.7
107.07877	1.7
107.08598	33.2
109.10154	12.0
111.08083	1.7
115.05476	0.8
116.96211	0.8
117.06994	1.8
119.08592	16.1
120.71477	0.8
121.10148	22.2
123.11698	4.0
126.93657	0.9
127.96424	0.8
131.08557	3.5
133.10135	17.0
135.08022	1.0
135.11694	9.0
137.09586	1.2
137.13237	1.3
145.10139	9.5
147.11685	8.5
149.09636	1.9
149.13231	6.5
150.69911	0.8
153.09099	1.8
157.10155	1.4
159.11737	5.6
161.13284	7.0
161.96454	0.9
163.11191	16.5
163.14818	4.9
167.10716	1.0
173.13269	3.1
175.14824	14.5
177.12784	1.1
177.16389	27.8
187.14804	12.3
189.16383	10.8
191.17964	3.8
199.14870	1.0
201.16411	3.7
203.17970	24.1
205.15884	100.0
205.19556	4.2
206.16200	1.8
207.17438	3.4
213.16425	0.9
215.18033	3.9
217.15964	1.1
217.19470	0.9
219.17445	1.9
221.19012	1.2
227.17993	0.8
231.17436	1.4
235.16933	1.6
249.18475	7.5
261.18503	1.6
285.25732	2.1
295.24170	4.6
313.25244	8.5
339.26877	1.3
391.33652	2.2
409.34671	37.4
425.34204	1.1
427.35699	1.0
437.34454	5.9
455.35538	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03947	3.0
55.05517	12.4
55.05732	1.9
57.07066	5.0
67.05515	14.5
69.07070	16.1
70.76302	6.6
79.05481	13.3
81.07062	34.3
83.08613	12.8
91.05480	15.2
93.07047	38.0
95.08617	72.2
97.10191	7.3
103.05521	2.4
105.07046	33.5
107.08604	59.4
109.10165	48.6
111.08067	5.1
113.42722	2.0
117.07019	4.6
119.08591	100.0
121.09327	4.1
121.10151	53.2
123.11720	19.0
125.05984	2.7
127.07575	2.4
131.08580	17.8
133.10143	46.3
135.11703	38.0
137.13269	5.1
139.07527	3.1
143.08514	4.5
145.06544	2.1
145.08932	2.6
145.10127	55.3
147.11700	31.2
149.13226	15.7
151.07573	6.0
151.11255	2.6
157.10153	4.7
159.11699	37.3
161.13275	31.5
163.07507	11.1
163.14854	24.7
171.11707	8.4
173.13281	29.6
175.14848	22.4
177.09200	3.8
177.16463	8.7
179.14346	6.0
179.52142	2.5
185.13271	7.4
187.14836	52.5
189.16383	34.9
191.17970	71.5
199.14859	11.7
201.16388	50.5
203.16069	3.8
203.17963	44.7
205.15831	2.6
205.19545	6.8
207.17503	4.9
213.16428	8.7
215.14368	5.3
215.17912	11.1
217.19566	14.3
219.17348	4.1
221.15421	2.5
221.19057	7.0
227.17990	4.3
229.15898	6.2
229.19542	18.3
231.21133	3.0
233.15492	10.1
241.19519	3.1
243.21051	3.2
245.15633	3.0
247.16963	28.5
255.21039	6.1
261.18588	4.6
269.22678	3.4
273.18610	5.0
275.20090	5.5
287.20166	4.6
295.24030	3.0
301.21887	3.3
315.23169	5.6
391.33591	16.9
409.34692	50.0
437.28247	3.7
437.34171	66.1
455.35303	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	455.3526
Annotation	Oleanonic acid
Peak:m/z	Relative Intensity
53.03951	3.1
55.01867	3.6
55.05512	14.9
55.42526	2.9
57.07065	9.2
60.79876	3.3
67.05505	26.9
67.53013	3.6
69.07073	29.6
70.06420	2.9
70.56547	9.3
71.05013	4.1
79.05503	18.2
80.26275	3.2
81.07061	58.6
83.04991	3.3
83.08620	15.3
89.66445	3.1
91.05490	20.3
93.06500	3.6
93.07055	48.9
95.04984	3.7
95.08620	100.0
97.06565	5.3
97.10173	7.9
103.00428	3.3
105.07035	49.8
107.08600	84.7
109.06525	5.4
109.10166	57.2
111.08086	6.7
111.11726	3.8
117.07032	6.9
119.08595	95.8
121.06451	3.3
121.10153	59.3
123.08080	6.3
123.11707	23.7
125.09583	5.0
126.35500	3.2
129.07021	3.4
131.08585	36.5
133.10149	52.6
134.10283	3.2
135.08031	3.5
135.11716	51.2
137.09543	3.4
137.13268	11.5
139.11177	4.6
143.08533	9.2
144.09241	3.6
145.10133	66.4
145.11176	6.1
147.08025	4.1
147.11696	38.6
147.15060	3.0
149.09712	4.2
149.13268	23.5
151.07556	4.1
151.11145	5.9
153.09091	4.7
155.08571	7.1
157.10141	16.8
158.10977	3.7
159.11703	44.2
161.09590	3.5
161.13289	33.3
163.14842	41.8
163.45602	3.2
169.10150	5.5
171.11690	12.2
173.13271	40.5
175.11151	6.9
175.14833	27.1
177.12738	4.1
177.16426	21.8
179.14339	7.3
185.13307	12.9
187.11259	4.2
187.14822	76.4
189.12743	4.4
189.16423	52.4
191.17966	65.4
193.12331	3.6
196.12575	3.2
197.13351	6.1
199.14828	14.6
201.16409	94.9
201.18283	5.0
203.14384	4.8
203.17998	45.6
205.12164	6.1
205.15924	19.5
207.17426	21.1
207.96111	4.0
213.16414	11.3
215.14352	17.1
215.18018	21.1
217.19502	9.9
219.17398	8.1
227.17963	9.6
229.15982	5.0
229.19417	16.8
231.13718	4.6
231.21159	9.0
233.15384	10.0
239.17865	3.9
241.19490	5.8
243.21114	7.8
247.16962	51.7
259.16876	3.9
261.18472	9.7
269.22482	4.0
391.33807	15.5
409.29852	3.5
409.34747	68.6
411.36145	11.7
427.35760	40.3
437.34860	39.2
455.36081	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	fatsicarpain D
Peak:m/z	Relative Intensity
53.03945	2.3
55.05515	11.7
55.05745	2.5
57.07077	8.7
67.05505	22.6
69.07064	14.2
69.50346	8.2
69.50753	3.2
71.04983	1.9
71.08628	1.7
79.05494	12.9
81.07061	78.7
83.04997	2.9
83.08614	8.9
91.05479	11.7
93.07049	15.9
95.08611	100.0
97.10161	6.4
98.20758	2.0
105.07024	23.6
107.08593	28.7
109.10159	46.1
111.08118	1.7
111.11666	2.5
117.06994	3.9
119.08587	28.2
121.10162	22.8
123.10841	2.6
123.11710	42.6
125.05967	1.8
128.97481	1.7
129.07013	4.2
131.08571	12.5
133.10138	19.7
133.41791	1.4
135.11691	17.4
137.09648	1.6
137.13261	56.8
140.35460	1.3
142.07695	1.6
143.08566	6.8
145.10129	17.0
147.11711	18.7
149.13275	11.9
151.14853	7.9
155.08563	1.8
157.10120	10.5
159.11690	13.4
161.13258	13.9
163.14912	7.6
169.10129	6.7
171.11702	13.9
173.09593	2.5
173.13271	10.3
175.14882	12.6
177.16412	4.6
179.14223	1.9
179.17928	9.4
183.11687	5.0
185.13261	10.9
187.11212	2.0
187.14781	11.8
189.12740	3.2
189.16367	16.9
191.14259	3.9
191.17986	17.0
193.15836	3.1
195.11754	1.9
197.13298	4.3
199.14862	9.4
201.12775	2.2
201.16362	15.5
203.14305	3.3
203.18013	15.1
205.15883	6.5
205.19507	5.4
207.17459	4.1
211.14792	6.6
213.16391	6.9
215.10684	2.9
215.14337	2.5
215.17897	5.7
217.12221	3.6
217.15967	3.6
217.19519	6.3
219.13956	2.1
219.17419	8.1
221.15012	1.7
225.16356	2.0
227.17975	3.5
229.15880	3.5
229.19504	2.6
231.17448	5.2
231.21059	1.7
233.15373	2.1
235.16876	2.0
239.17867	7.0
241.19499	7.4
243.13930	2.8
243.21092	6.4
245.15251	3.4
247.16959	5.3
253.19568	4.7
255.21063	3.9
257.15341	4.1
259.16916	3.9
259.20609	4.3
261.18616	2.1
261.22089	1.5
267.21030	3.4
271.42688	1.5
273.21991	1.8
275.16446	7.2
285.18314	2.5
285.21948	2.0
287.20267	1.9
313.21674	2.5
358.16495	4.2
374.28973	1.4
391.33508	11.3
409.29767	1.8
409.34732	26.3
437.34439	22.3
455.26077	1.6
455.35599	35.1
456.31223	1.7
457.85263	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03940	3.2
55.05513	21.4
57.07067	9.3
65.56326	2.6
67.05511	24.7
69.07074	26.5
70.64064	4.7
70.64400	7.1
79.05486	18.6
81.07057	53.8
83.04968	3.7
83.08628	15.6
91.05470	22.0
93.07044	48.4
95.08607	100.0
97.10131	4.3
101.52633	3.2
105.07034	44.1
107.08595	91.4
107.09312	5.9
109.06526	4.5
109.10156	47.2
111.08064	5.6
113.09661	3.7
117.07018	10.7
119.08585	77.6
120.51539	2.7
121.10147	70.4
122.10414	3.4
123.08020	5.4
123.11711	26.9
129.06973	3.5
130.07796	3.9
131.08589	15.2
133.10136	62.1
135.11702	41.5
137.09647	3.9
137.13251	9.6
143.08565	7.0
144.09315	4.4
145.10124	35.7
147.11693	49.5
149.09607	3.5
149.13252	32.9
157.10118	10.2
159.11693	29.6
161.13258	29.5
163.11163	13.5
163.14806	28.4
165.12784	4.6
171.11690	10.2
173.13257	15.8
174.14073	5.4
175.14821	35.4
177.12816	3.3
177.16388	43.0
183.11749	3.3
187.14842	39.3
187.76656	3.0
189.16376	70.6
191.17865	16.7
199.14833	6.6
201.16380	27.2
203.17958	64.4
205.15886	71.0
205.19437	6.2
207.17439	13.2
213.12682	3.3
213.16423	8.6
215.17957	16.6
217.15906	4.2
217.19594	5.0
219.17487	7.3
221.19020	4.2
227.17863	3.4
229.19455	7.6
231.17415	5.8
235.16931	7.4
239.17979	4.0
243.21085	6.8
245.18980	4.3
247.16939	8.8
249.18521	14.1
255.21143	4.9
261.18478	10.4
269.22784	3.3
313.25238	6.1
391.33704	16.0
409.34692	66.3
419.33179	7.6
437.28876	5.2
437.34235	59.6
455.35532	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	fatsicarpain D
Peak:m/z	Relative Intensity
53.03942	3.1
55.05514	28.3
57.03452	3.3
57.07077	17.9
65.03944	2.8
67.05505	36.1
69.07066	30.9
69.79584	14.7
71.08624	12.4
75.29429	2.7
79.05492	27.3
81.07056	73.1
83.04980	2.7
83.08627	24.9
85.10237	2.7
89.06026	8.5
91.05492	21.1
93.07054	44.7
95.04929	4.2
95.08611	100.0
97.06517	3.9
97.10165	16.8
99.08072	3.4
105.06331	2.6
105.07034	52.1
107.08597	88.6
109.06488	7.1
109.10165	61.5
109.10870	2.0
111.08089	35.1
117.07025	6.6
119.08585	81.9
121.10147	68.6
123.11715	22.1
125.09621	10.0
129.06964	3.8
131.08577	20.6
133.08585	5.0
133.10138	57.2
135.11719	38.2
137.13275	6.8
139.11134	5.7
143.08548	5.9
145.10132	35.0
147.11697	52.3
147.33661	2.6
149.09616	3.9
149.13260	51.8
151.11217	3.2
153.09122	4.7
157.10120	6.3
159.11696	35.5
159.98792	3.2
161.09651	3.3
161.13271	44.6
163.11208	6.8
163.14830	35.2
165.12875	4.7
167.10709	6.4
170.47063	3.4
171.11710	8.5
173.13278	26.5
173.14833	3.7
175.14838	37.4
177.12816	4.5
177.16394	33.3
185.13268	7.4
187.14839	32.3
189.16403	65.2
191.17961	19.7
199.14867	6.8
201.16368	34.5
203.14294	5.8
203.17966	74.5
205.15900	62.7
205.19495	5.5
207.17499	17.3
213.16409	9.2
215.14342	2.7
215.17940	34.2
217.15945	3.8
217.19534	8.6
219.17514	8.6
221.19009	7.8
227.17953	6.3
231.17566	4.9
235.16876	6.9
239.23590	4.6
241.19415	3.5
243.21100	6.4
247.16838	19.2
249.18433	8.5
253.19463	4.1
255.21075	8.1
257.22726	3.6
261.18567	6.9
267.21054	3.5
269.22745	4.4
295.24112	4.9
301.21793	5.0
303.23184	4.8
313.25238	3.7
315.23019	3.2
349.29053	3.5
351.30334	4.2
379.53503	3.0
391.33865	13.2
397.31094	4.2
409.34604	66.7
419.33032	4.6
422.30219	3.5
425.33957	7.6
437.34314	48.3
438.35004	6.4
455.35324	88.0
456.35629	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	455.3522
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05508	4.6
55.12630	0.9
57.07077	2.2
59.94884	0.9
60.48665	0.8
67.05511	7.0
69.07078	5.7
70.10436	2.8
70.10783	1.6
71.08607	1.0
79.05499	5.4
81.07058	13.7
83.08624	4.9
85.06554	1.6
85.10172	0.9
91.05479	4.8
93.07047	14.2
94.85864	1.0
95.04990	1.7
95.08618	21.9
95.69841	0.9
97.06523	1.8
97.10188	2.8
99.08116	1.8
105.07036	12.5
107.08596	22.4
109.06516	2.5
109.10165	16.1
111.08069	2.3
117.07017	1.6
119.08588	24.6
121.06507	2.0
121.10151	14.0
123.08115	1.8
123.11706	6.4
125.05992	5.3
125.09579	1.5
131.08557	5.0
133.10138	23.5
135.08054	3.5
135.11694	21.3
137.09616	1.6
137.13261	1.8
139.07524	4.3
143.08603	1.6
145.10123	8.3
146.68257	1.0
147.08072	1.4
147.11679	12.4
149.09660	1.7
149.13280	5.3
151.11179	2.8
153.09155	1.4
155.08615	1.4
157.10165	2.8
159.08072	2.0
159.11710	6.7
161.09639	1.9
161.13268	4.9
163.11209	1.3
163.14824	6.6
169.10121	2.2
171.11778	2.6
173.09660	4.6
173.13295	4.3
175.11203	3.8
175.14842	3.4
177.09171	3.0
177.16385	2.2
183.11771	1.0
185.13229	2.3
187.11185	9.1
187.12701	0.9
187.13272	1.2
187.14786	8.5
189.12827	1.2
189.16388	36.0
191.10681	2.9
191.14429	1.1
191.17949	8.4
196.12198	1.1
197.13306	3.8
201.16454	5.0
203.18004	5.2
205.15912	3.9
207.17456	62.6
211.14769	2.1
213.16374	1.7
215.14308	11.2
215.17958	1.2
217.19569	2.0
229.15887	62.1
231.17441	7.9
233.15381	24.7
239.23814	1.1
243.17476	3.3
247.16956	20.4
247.63799	1.0
257.18967	2.2
283.20618	2.5
297.22235	1.1
384.24326	1.1
409.34796	1.5
419.33069	2.9
429.31573	1.0
437.34186	36.8
455.35269	100.0
456.35608	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	455.3523
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.03939	2.7
55.05516	16.2
57.07066	7.1
59.05257	1.7
65.03943	2.0
65.48067	1.8
67.05508	24.8
69.07073	20.6
69.80615	1.9
70.64989	3.2
79.05485	14.2
81.07060	59.4
83.04997	1.9
83.08614	11.9
91.05482	17.5
93.07046	26.0
95.08611	100.0
97.06532	4.3
97.10152	5.0
105.07038	27.5
107.08595	48.1
109.06534	2.4
109.10163	48.5
111.08061	2.8
111.11691	2.8
117.07023	5.6
119.08588	84.2
121.09330	3.7
121.10147	38.1
123.04430	1.9
123.08024	3.4
123.11713	35.6
129.07024	3.1
131.08580	15.7
133.10143	29.3
134.10457	1.7
135.08037	2.8
135.11688	34.1
137.13261	33.7
139.07506	2.7
143.08571	7.4
145.10127	37.8
147.11694	24.5
149.13203	11.2
151.07521	3.4
151.14813	3.2
157.10167	7.4
159.11697	25.5
159.12910	3.1
161.09572	2.9
161.13258	20.6
163.07544	10.8
163.11171	2.9
163.14825	19.6
169.10156	3.3
171.11649	9.5
173.13264	22.3
175.14816	10.6
177.09122	4.4
177.16397	11.2
179.14288	1.9
179.17934	7.2
183.11687	1.9
185.13295	8.4
187.14832	38.8
189.16420	26.6
191.17952	66.3
194.14157	1.7
197.13269	5.0
199.14832	11.0
201.16414	43.5
203.17969	34.0
205.15848	2.8
205.19534	6.5
207.13834	3.2
207.17407	3.7
211.14772	6.6
213.16354	16.8
215.14326	8.2
215.17955	5.4
217.19525	7.5
219.13768	2.7
219.17404	3.4
221.18806	2.9
225.16464	2.0
227.17926	4.4
229.15933	18.0
229.19519	10.1
231.17555	4.3
233.15315	9.0
239.14348	2.0
241.19559	2.8
245.15396	2.8
247.16945	19.8
255.21028	2.9
257.15356	8.3
259.16879	5.2
269.22748	3.6
273.18515	3.2
275.16409	7.6
277.17838	2.0
287.20026	2.0
315.23364	2.5
327.23108	2.5
391.33591	15.3
409.34677	41.3
437.34250	39.1
455.35519	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	455.3522
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.03946	1.9
55.05512	13.5
57.07071	3.1
67.05508	17.3
69.06773	1.8
69.07073	17.9
70.67969	4.1
79.05504	11.3
81.07062	48.1
83.08633	10.7
91.05466	17.1
91.56314	1.9
93.07042	35.0
95.08614	86.0
97.06541	3.4
97.10149	8.4
105.07037	32.6
107.08598	45.9
109.06461	2.2
109.10158	49.7
111.08071	2.7
117.06991	3.7
119.08586	100.0
121.09334	3.4
121.10152	46.0
123.08059	3.3
123.11729	23.9
125.06000	2.6
129.07018	2.4
131.08542	15.3
133.10135	36.7
135.11693	33.6
137.13254	12.3
139.07506	2.8
143.08549	4.9
145.10120	46.5
147.11682	25.9
149.13277	17.3
151.07559	5.2
151.80704	1.8
153.09138	2.1
153.12709	3.0
157.10149	9.9
159.07999	2.5
159.11700	27.0
161.13280	18.9
163.07573	15.2
163.14842	30.9
171.11688	5.5
172.12546	1.9
173.09642	2.4
173.13261	27.1
175.14807	18.7
177.09113	3.3
177.16389	7.0
179.14429	1.8
179.17979	2.1
185.13235	9.5
187.14828	53.5
189.09050	1.9
189.16394	26.7
191.17958	83.7
193.15762	2.5
199.14850	12.3
201.16382	41.4
203.17960	36.5
205.15935	3.2
205.19545	8.1
207.17442	4.2
211.14949	2.3
213.16354	10.9
213.94835	1.9
215.17961	7.7
217.19572	13.9
219.13863	1.9
221.19006	2.3
227.17963	4.2
229.15898	5.8
229.19489	10.4
231.21075	4.5
233.15393	9.2
241.19594	2.3
245.15399	3.6
247.16945	21.8
257.22607	2.7
259.16965	7.6
261.18497	4.4
269.22571	3.9
273.18732	4.3
313.21469	2.3
315.23590	2.1
391.33527	19.3
409.34689	46.1
437.34253	57.7
455.35464	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00112	0.5
60.74160	0.5
69.03426	0.7
70.06596	100.0
70.27940	1.9
71.06943	0.7
81.03429	1.3
85.02909	1.0
109.02896	3.3
109.81797	0.5
112.07609	82.6
116.07086	2.9
124.05404	0.5
127.03921	2.2
127.04813	0.5
135.04434	0.6
137.05963	0.7
140.07071	49.4
158.08130	15.4
158.09424	0.7
165.05460	0.6
170.65814	0.6
177.80972	0.5
180.08861	0.7
200.09138	0.9
230.10182	0.8
266.10248	2.5
284.11301	6.7
302.12250	1.9
456.18051	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	0.5
70.06596	100.0
70.46789	0.5
70.47102	0.8
71.04996	0.8
81.03416	2.4
85.02911	1.1
85.06532	0.5
85.34620	0.5
97.02909	1.3
99.10356	0.5
109.02886	4.5
112.07613	89.7
116.07099	2.9
117.29411	0.5
127.03925	1.9
137.06007	0.8
140.07076	45.7
148.08223	0.5
158.08133	14.1
158.53331	0.4
165.05527	0.6
180.08772	0.9
190.05032	0.6
200.09232	1.4
266.10187	2.7
284.11307	5.5
302.12375	2.1
448.20505	0.5
456.12115	0.5
456.18668	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
57.71884	0.3
67.05499	1.1
69.03416	1.2
69.07057	1.0
71.03101	0.7
73.17783	0.3
74.07336	0.3
79.05518	0.6
81.03425	0.5
81.07050	1.4
83.05035	0.4
85.02913	1.8
87.00856	0.4
91.05480	1.3
93.07045	1.0
95.04988	0.4
95.08603	1.9
96.08970	0.5
97.02914	0.8
97.06564	0.6
103.24457	0.3
105.01868	0.7
105.07032	2.0
106.07364	0.4
107.08581	1.1
108.08947	0.4
109.02896	0.9
109.10149	1.0
117.07072	0.8
119.08582	4.0
120.08887	0.4
121.10161	0.8
127.03925	1.2
128.06175	0.8
129.07022	0.9
131.08580	7.4
133.10162	2.6
135.11760	0.4
139.11156	0.3
143.08574	6.9
144.09306	1.4
145.04987	0.6
145.10153	4.8
146.10497	0.4
148.12079	0.4
156.09369	0.4
157.10123	0.9
158.10919	19.6
171.11717	1.3
172.11993	0.4
173.13274	100.0
174.13605	1.1
187.14810	0.6
188.15271	0.4
189.16365	0.6
201.16541	0.5
203.18011	0.6
231.05049	0.6
330.22354	0.4
396.63953	0.3
410.34958	0.7
437.96240	0.4
438.34814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01874	2.0
55.05503	1.2
57.03435	1.5
57.07075	12.7
57.73149	0.4
59.05001	100.0
59.10505	0.4
61.02921	1.6
67.05489	0.5
68.99783	0.8
69.03430	8.1
69.07082	0.7
71.05009	0.9
71.53092	0.5
73.02921	1.5
73.06551	0.5
81.03416	5.8
81.07069	0.9
85.02906	19.1
87.00832	8.5
91.03976	0.6
95.08594	0.5
97.02887	5.8
97.06554	0.4
97.10169	0.7
99.04468	2.3
99.08122	0.4
101.09615	0.6
105.01868	6.8
107.08614	0.6
109.02875	5.2
109.10196	0.7
115.11208	28.0
117.01874	0.6
117.09156	1.4
119.08597	0.6
127.03921	7.9
129.01862	0.8
133.10127	0.6
145.04959	3.0
158.33292	0.4
159.02873	2.6
163.11273	0.4
165.29909	0.5
173.15359	5.9
189.03903	0.5
191.16423	67.7
192.16846	0.6
207.13869	0.9
208.14159	1.2
231.05005	1.6
249.06073	0.8
299.24817	0.4
331.15048	0.5
453.39224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
55.01873	3.7
55.05516	1.0
57.03439	4.6
60.96744	0.8
61.02924	1.4
65.03938	1.3
67.05503	2.9
68.99787	2.9
69.03432	17.0
70.06596	4.1
71.01366	2.4
71.05003	1.9
71.51434	0.9
72.08149	1.0
73.02910	3.9
79.05501	9.5
81.03407	2.7
81.07060	12.2
83.01356	1.5
83.04967	5.4
84.08118	1.3
85.02431	1.5
85.02906	15.4
87.04446	2.1
91.05490	9.1
93.07047	3.1
95.04962	7.0
95.08595	1.9
97.02898	30.8
97.06527	0.9
98.66109	0.8
99.04478	1.6
99.05576	6.6
101.02398	3.1
103.05482	1.9
105.07028	4.6
107.04961	7.6
107.08614	3.1
109.02887	2.6
109.06524	16.1
111.04465	2.0
112.07596	1.0
112.11278	1.3
113.02373	14.1
113.05996	0.9
115.03941	7.1
115.05421	0.9
117.07029	1.6
119.04942	5.4
120.88251	0.8
121.06512	12.2
123.04431	2.0
123.08046	1.0
125.02352	3.5
125.05999	2.7
125.09687	1.0
127.03915	10.7
129.06995	0.8
129.13869	1.2
131.04941	1.1
133.06512	1.9
137.05986	100.0
138.06412	1.1
139.07544	3.0
141.06685	1.6
141.09106	1.3
143.03418	8.6
143.10683	1.2
145.05008	1.6
145.06523	1.0
147.04414	1.9
149.05984	1.2
151.03879	1.1
151.07555	1.0
155.07039	12.9
159.07690	5.5
161.04486	5.1
161.05925	2.1
163.03909	22.3
163.07620	1.4
165.05490	1.9
169.06494	1.2
173.05934	0.8
175.07587	1.3
177.05521	1.5
179.07133	0.9
183.06566	1.3
185.06046	0.8
187.07553	1.6
191.07065	2.7
201.08769	1.1
203.07103	1.0
205.08684	1.8
209.08121	0.9
209.15495	1.2
215.07034	2.7
233.08092	4.9
237.07661	1.1
251.09105	5.3
260.12598	1.0
261.07706	1.0
267.09766	1.9
269.10193	2.8
279.08679	3.6
285.10751	1.6
295.16559	1.2
297.09677	3.5
325.09195	1.6
338.28906	0.8
386.50928	0.8
457.13815	2.7
457.21863	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12175	1.7
53.03933	6.2
55.01860	6.3
55.05499	4.1
57.03418	5.3
57.64333	1.7
59.71908	1.8
61.02925	3.0
62.07546	1.6
62.91225	1.5
63.73867	1.9
64.80939	1.9
67.05505	11.3
68.99780	3.7
69.03425	27.8
69.07059	4.1
71.04983	7.0
71.53097	2.1
73.02893	5.0
79.05468	6.1
81.03426	24.9
81.07057	35.2
83.04974	1.8
85.02902	57.9
85.06547	42.4
87.00839	22.9
91.05474	16.5
93.07044	32.7
95.04969	4.1
95.08606	22.6
97.02892	22.9
97.06519	6.9
99.04462	12.5
99.08086	2.3
103.58973	1.7
105.01857	14.6
105.07033	49.1
107.08591	15.1
109.02880	25.4
109.06538	5.8
109.10168	13.7
117.01833	4.5
117.07004	4.2
118.97676	2.2
119.04893	2.6
119.08588	52.3
121.06474	2.1
121.10146	25.2
123.08080	5.7
123.11710	7.4
127.03920	36.7
129.01811	4.0
129.06969	4.4
131.08577	55.5
133.02864	2.5
133.10136	94.2
135.08009	4.1
135.11700	12.0
137.09605	6.4
143.08563	8.1
144.09236	2.0
145.04970	15.9
145.10114	14.5
147.04436	2.8
147.11702	8.4
149.09608	5.4
149.13190	4.8
151.07530	2.2
151.11188	64.6
155.10686	11.0
156.09337	2.3
157.10162	4.9
158.10893	7.5
159.02904	12.0
159.11772	4.3
161.11996	3.3
161.13260	47.2
163.14827	10.8
171.11703	3.6
173.13269	100.0
175.14825	26.9
179.14343	28.7
179.20497	2.2
189.12704	2.4
191.14313	83.8
192.14619	2.2
193.15926	5.1
209.15359	23.3
221.15253	1.7
231.04935	5.6
231.13708	2.9
233.15343	2.3
295.15302	4.0
299.16321	2.3
403.17407	4.9
421.18866	3.8
457.15118	5.5
457.24200	10.9
462.47256	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05494	0.3
53.03931	0.7
54.02646	0.3
55.01880	0.5
55.05510	1.7
57.03447	0.7
57.07098	0.4
65.03951	0.6
67.05505	1.5
69.03430	6.6
69.07078	2.1
71.02484	0.6
71.05010	0.8
77.03956	0.4
79.05496	3.6
81.03419	2.7
81.07064	5.9
83.04973	1.2
83.08617	0.6
85.02902	4.2
85.06561	0.6
87.00838	1.9
91.05483	5.1
93.07043	3.0
95.04984	1.1
95.08625	2.2
97.02904	2.9
97.06517	0.5
99.04455	1.5
105.01879	1.5
105.07035	7.1
107.04948	2.1
107.08599	23.2
109.02892	1.9
109.06528	4.6
109.10161	5.7
111.08076	0.5
115.05486	1.3
116.06183	0.3
117.07037	2.1
118.07792	0.5
119.08598	3.7
121.06499	1.4
121.10141	12.0
122.07285	3.3
123.08067	1.3
123.11710	0.7
125.09659	0.7
127.03909	3.2
129.07025	0.6
131.08568	3.5
133.02846	1.1
133.10133	100.0
134.10413	0.7
135.08054	9.6
135.11678	1.3
137.09621	48.3
138.10028	0.6
143.08568	0.5
145.04956	1.2
145.10149	0.9
147.11687	3.3
149.05975	0.4
149.09641	4.3
149.13263	10.3
149.14398	0.7
150.06813	0.4
151.11203	2.9
158.10913	1.0
159.02924	0.8
163.03879	0.5
163.14790	2.7
165.12788	3.0
173.13257	7.8
175.03900	0.4
191.14314	45.6
192.14598	0.5
203.22060	0.3
209.15372	18.4
212.52228	0.4
231.04982	0.8
249.05971	0.5
325.10751	0.6
457.14996	0.7
457.23788	0.7
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
52.38559	1.5
53.03940	2.4
55.01856	3.1
55.05502	2.9
57.07088	2.3
58.56514	1.5
67.05494	6.5
69.03126	1.6
69.03443	13.6
69.07062	5.0
70.81761	1.5
71.05005	8.7
79.05475	5.4
79.80700	1.6
81.03408	6.6
81.07042	6.9
83.04959	3.9
83.08611	3.4
85.02908	19.3
85.06537	2.0
87.00832	7.6
91.05471	9.1
93.07036	6.1
95.04958	5.7
95.08619	13.1
97.02881	7.1
97.06532	2.9
98.21532	4.4
99.04431	2.3
99.08095	2.4
105.01863	5.1
105.07056	9.3
105.80226	1.9
107.08602	21.0
109.02885	5.7
109.06519	100.0
109.10162	26.1
111.08086	3.2
117.07026	4.8
119.08544	4.3
121.10151	13.7
123.08083	14.6
125.09635	3.9
127.03936	13.2
131.08575	15.6
133.10129	18.7
135.08057	48.1
137.09647	5.0
139.11148	3.1
143.08588	2.7
145.04965	4.6
145.10095	3.5
147.02838	1.9
147.11670	6.2
149.09660	11.4
149.13293	8.6
151.11185	25.2
153.09120	5.7
158.10973	2.9
159.02901	3.1
163.14853	5.1
165.12740	1.9
173.13289	20.6
191.14308	97.8
209.15381	68.6
209.17375	3.2
400.85556	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
55.01878	1.7
55.05519	0.9
57.03443	0.9
61.02924	0.9
67.05523	0.7
68.99827	0.6
69.03432	4.2
69.07065	2.4
70.06594	0.7
71.05008	0.8
71.52513	0.6
73.02946	0.4
79.05480	2.1
81.03436	3.3
81.07069	2.7
82.95846	0.4
83.05007	0.6
83.08639	0.6
85.02910	8.0
86.09727	0.6
87.00832	2.6
91.05485	2.6
91.68848	0.4
93.07037	5.4
95.04968	1.2
95.08593	1.9
97.02912	1.4
97.06532	1.3
99.04460	1.6
105.01861	1.9
105.07040	3.9
107.08597	11.5
109.02868	3.2
109.06530	1.1
109.10160	0.7
112.41694	0.4
117.07024	2.3
119.08581	5.8
121.06508	3.5
121.10146	3.5
123.08086	2.2
123.11735	0.4
127.03924	5.9
127.11225	0.5
129.06981	0.4
131.08568	5.7
133.10132	5.1
135.08049	5.8
135.11694	1.1
136.88426	0.4
137.05956	0.4
137.09624	0.7
145.04961	1.1
145.10126	2.6
147.04379	0.5
147.08093	1.9
147.11688	25.1
149.09644	7.8
149.13261	9.1
151.11220	0.4
159.02895	0.6
161.09604	0.5
162.10295	0.4
163.03908	0.9
163.11194	1.1
163.14815	1.6
173.13266	10.8
175.14853	0.5
176.11966	2.1
191.14313	73.3
192.14647	1.1
209.15366	100.0
210.15709	1.1
213.03960	0.5
231.05006	0.9
324.61819	0.4
352.45007	0.5
413.17886	0.8
457.16626	4.3
457.23856	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01865	2.4
55.05493	0.6
57.03439	1.3
59.38840	0.6
61.49425	0.5
65.03961	0.9
67.05496	2.1
68.99777	1.2
69.03429	6.8
69.85958	0.6
69.86249	2.9
70.06588	1.4
71.01353	0.7
71.04979	0.8
72.08161	0.6
73.02923	2.6
77.62848	0.6
79.02545	0.5
79.05499	9.7
81.03406	1.2
81.07069	8.0
83.04973	2.9
85.02894	4.9
85.66208	0.5
91.05479	5.9
93.07058	2.3
95.04993	4.0
95.08611	3.2
97.02895	4.9
97.06510	0.8
101.02412	0.6
105.07036	6.1
107.04935	4.2
107.08611	4.4
109.02885	1.0
109.06517	11.4
109.45088	0.5
111.04432	1.0
111.08062	0.7
112.07659	0.8
113.02392	2.8
117.06977	0.7
119.04919	5.4
121.06504	2.1
123.08061	2.1
125.05976	4.2
125.09653	1.6
127.03910	1.4
137.05981	100.0
138.06375	0.6
139.07526	1.4
141.09090	2.8
143.03375	2.3
143.10696	2.7
145.05045	0.5
147.04355	0.6
155.07033	22.0
163.03946	2.2
164.07074	1.5
175.07582	0.7
265.14401	1.0
295.15744	1.4
378.91916	0.6
406.00482	0.7
457.15741	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31832	0.5
52.92945	0.6
53.03942	1.6
55.01868	2.3
55.05501	1.1
57.03431	1.7
65.03942	1.1
67.05500	3.0
68.99783	1.6
69.03431	9.7
70.06586	1.6
71.04977	1.3
73.02906	2.5
74.18610	0.6
76.50606	0.6
79.05493	10.9
79.73469	0.6
81.03406	2.0
81.07056	9.4
83.04985	3.8
84.08116	0.9
85.02910	4.6
87.04481	0.7
91.05488	5.9
93.07038	1.7
95.04967	4.5
95.08604	2.6
97.02896	8.4
99.04445	1.1
99.05623	1.2
105.07034	5.4
107.04971	3.7
107.08598	8.6
109.02855	1.0
109.05803	1.1
109.06528	14.7
109.10123	0.8
109.62524	0.6
111.04433	0.7
111.08064	0.8
112.11230	0.7
113.02364	3.9
113.06036	0.6
113.07887	0.6
115.03926	1.7
119.04949	5.7
121.06487	3.6
123.04387	0.9
123.08059	1.8
124.07646	0.8
125.02327	0.9
125.05973	2.8
125.09627	2.1
127.03907	1.9
129.06989	0.5
129.13896	0.6
135.07991	0.9
137.05984	100.0
138.06331	0.8
139.07570	0.9
141.09103	2.5
143.03427	1.8
143.10675	3.9
147.04515	0.7
149.06041	0.9
153.09093	0.9
155.07036	20.5
159.07689	0.9
161.04462	1.4
161.05995	0.7
162.05537	1.2
163.03909	5.6
163.05908	0.9
176.18808	0.6
233.08156	1.3
240.98793	0.6
243.20010	0.7
245.75992	0.7
251.09195	1.2
259.14508	0.7
279.08731	1.0
295.16418	1.7
297.09567	1.5
315.11020	1.0
425.32001	0.6
428.18988	0.6
457.14331	0.8
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
51.93939	0.4
53.03940	1.0
53.07103	0.4
54.39356	0.3
55.01868	0.5
55.05502	1.6
57.03425	0.4
62.16315	0.3
67.05503	1.9
69.03428	4.6
69.07047	1.2
69.47913	2.8
71.70818	0.4
79.05497	4.3
81.03402	1.7
81.07051	5.1
83.04981	1.2
83.08601	0.6
85.02906	2.5
87.00816	1.0
91.05476	4.4
93.07053	3.0
95.04954	1.0
95.08597	1.4
97.02903	1.3
98.20768	0.8
103.05495	0.4
105.01866	0.8
105.07030	5.7
107.04953	2.7
107.08596	17.4
109.02891	1.5
109.06532	2.9
109.10155	5.7
109.10853	0.6
115.05473	1.2
117.07027	1.5
118.07825	0.6
119.06102	0.7
119.08583	2.0
121.06430	0.9
121.10139	10.8
122.07288	4.5
123.08065	1.3
127.03919	2.9
131.08580	2.1
133.10130	100.0
134.10429	0.9
135.08044	6.0
135.11710	1.0
137.09616	49.1
138.09935	0.7
145.05045	0.6
145.10136	0.7
146.11636	0.4
147.11739	1.3
149.09625	1.4
149.12073	0.5
149.13260	9.3
149.14400	0.7
151.11172	0.8
158.10960	1.1
163.14868	1.5
173.13257	5.1
191.14304	50.5
192.14708	0.6
209.15369	5.5
213.03908	0.5
231.04965	0.6
403.17343	0.5
439.19470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90698	0.7
53.03955	1.2
55.01864	1.5
55.05507	2.3
57.03438	1.5
59.04988	0.7
61.02908	0.9
67.05505	6.0
69.03426	3.5
69.07069	1.7
69.68642	3.4
71.04989	4.0
79.05486	2.8
81.03409	2.3
81.07054	8.9
81.83227	0.7
83.04972	1.0
85.02910	6.6
85.06545	1.9
87.00819	3.1
91.05465	3.9
93.07050	9.7
95.04962	9.1
95.08618	4.1
97.02863	2.5
97.06541	1.4
97.10150	1.9
105.01873	2.0
105.07034	11.5
107.08607	9.8
109.02846	1.8
109.06522	7.8
109.10162	12.2
111.08096	1.6
117.07087	0.8
119.08572	6.2
121.10146	9.2
123.08057	2.9
123.11685	2.8
123.12481	0.7
127.03913	3.4
129.06969	1.0
131.08568	10.5
133.10124	10.4
135.08061	3.4
145.04910	1.3
145.10139	2.4
147.11697	6.3
149.09633	5.1
149.13266	5.5
151.11194	19.5
158.10907	1.1
159.02893	1.1
161.13272	13.1
163.11235	1.0
163.14824	3.8
169.98279	0.6
173.13264	11.4
179.14322	12.7
191.14316	40.3
209.15378	100.0
268.17935	0.6
364.31085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01848	1.5
69.03436	5.5
70.64520	2.3
73.02921	1.2
79.05507	1.5
81.03408	4.0
81.07088	1.4
83.04945	1.1
85.02907	11.9
87.00858	6.3
91.05481	4.2
91.06995	1.4
93.07056	3.4
95.08614	17.5
97.02896	5.0
97.06535	4.1
99.04430	2.5
105.01854	3.8
105.07027	8.7
107.08568	3.1
109.02916	6.1
109.10174	1.3
110.25034	1.1
119.08573	2.6
121.10148	4.8
127.03959	6.4
131.08540	6.0
132.52269	1.3
133.10138	100.0
135.11670	1.4
145.04973	3.9
145.10136	3.2
147.04443	2.3
147.11679	2.1
149.09615	3.4
149.13275	1.9
151.11153	2.0
154.14230	1.1
158.10893	3.5
159.02898	1.6
163.14835	2.5
173.13283	26.8
191.14316	24.0
209.15396	8.5
231.05016	1.3
277.17929	1.6
380.04651	1.1
457.24301	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	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
53.19123	0.4
55.01876	2.8
55.05494	1.5
57.03424	1.4
57.07055	0.9
58.49699	0.4
61.02917	0.7
62.37605	0.4
67.05505	0.7
69.03429	13.6
69.07069	11.8
70.84996	1.0
71.04974	1.1
73.02914	0.6
79.05505	2.0
81.03419	3.4
81.07053	2.3
83.04970	1.9
85.02901	5.5
87.00830	4.4
91.05473	4.7
93.07043	10.7
95.04969	0.7
95.08604	3.4
97.02892	3.3
97.06551	2.3
99.04454	1.4
101.11445	0.4
105.01839	1.8
105.07035	2.8
107.08596	9.7
109.02855	2.4
109.06519	1.5
109.10136	1.2
111.08045	0.7
117.01862	0.5
117.07013	0.6
119.08594	3.5
121.06507	13.4
121.10145	9.1
123.08064	1.8
123.11716	1.4
125.09622	3.9
127.03910	4.0
131.08563	3.4
133.10129	5.9
135.08064	7.8
135.11685	4.2
137.09627	0.7
143.08588	0.7
145.04936	1.2
145.10135	2.2
147.11690	25.5
149.09598	4.2
149.13271	6.3
151.11200	0.8
153.09163	1.9
158.10895	1.9
159.02870	1.4
161.09662	4.4
163.11174	1.3
163.14809	2.6
165.12737	1.0
168.53638	0.4
173.13272	11.2
176.11951	1.0
191.14307	100.0
192.14636	1.4
202.74361	0.4
209.15363	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01867	3.1
55.05508	2.6
57.03446	2.1
57.07072	1.3
61.02922	1.6
65.03935	1.2
67.05508	6.0
68.99791	0.8
69.03433	10.4
69.07063	2.4
71.05006	6.0
71.53114	0.9
73.02922	2.5
77.03910	0.8
79.05502	5.7
81.03416	9.6
81.07056	9.6
82.14280	0.9
83.04974	1.5
83.08621	1.4
85.02914	18.0
85.06560	4.0
87.00841	8.8
91.05488	9.9
93.07060	9.7
95.04987	6.3
95.08613	9.0
97.02901	8.8
97.06543	6.8
99.04450	4.7
105.01874	4.7
105.07034	22.4
107.08611	11.8
109.02895	6.5
109.06522	59.0
109.10162	16.0
111.08112	2.4
114.93931	0.8
115.03946	1.1
115.05424	1.5
117.01878	1.6
117.07004	2.8
118.07752	0.8
118.18697	0.8
119.08572	8.6
121.06507	1.5
121.10133	8.0
123.08076	7.8
123.11707	2.0
125.09663	1.1
125.42377	0.8
127.03915	9.0
128.13396	0.9
129.01813	1.0
129.07018	1.4
131.08571	28.0
133.10136	96.7
135.08061	27.6
135.11682	2.5
137.05992	2.7
137.09595	1.7
139.11163	1.1
143.08568	3.4
144.09351	1.1
145.04945	5.1
145.10139	8.2
147.08125	1.1
147.11697	5.3
149.09619	3.4
149.13278	4.7
151.11197	11.8
153.09116	3.1
157.10178	0.9
158.10895	6.0
159.02927	4.6
159.11630	1.3
161.13307	2.4
163.11143	1.5
163.14844	2.3
165.09129	3.1
166.19289	0.9
169.10110	1.0
171.11684	1.1
173.13280	53.9
174.13557	1.0
175.11177	1.5
175.14859	1.6
176.11543	1.3
189.12775	0.9
191.14316	100.0
197.13501	0.9
209.15370	40.1
231.05074	2.5
289.48038	0.8
356.92734	0.9
411.36182	1.4
442.17838	1.9
457.26730	0.8
457.32935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05812	2.1
53.03941	7.1
55.01863	8.6
55.05499	3.8
57.03424	7.4
61.02911	3.9
67.05491	9.5
68.99772	2.5
69.03436	20.1
69.07055	3.1
70.06575	10.5
70.77081	5.3
71.04978	5.5
72.08134	5.4
73.02910	9.5
75.33965	2.3
78.61211	2.3
79.05482	7.1
81.03080	2.1
81.03428	26.6
81.07059	34.4
85.02916	58.3
85.06077	4.0
85.06547	46.2
86.09694	8.7
87.00830	22.5
91.05476	17.2
91.56188	2.7
93.06571	2.6
93.07055	29.5
95.04967	7.3
95.08594	18.7
95.74448	2.6
97.02897	28.6
97.06522	2.8
99.04453	11.8
101.02401	2.8
105.01874	14.4
105.07033	61.5
107.08600	14.7
109.02878	20.1
109.06522	5.2
109.10132	10.2
116.07062	5.9
117.01862	5.0
117.07039	4.8
119.07816	4.0
119.08585	47.2
121.10148	23.5
123.08060	6.6
123.11704	8.1
127.03926	36.7
129.01859	4.9
129.06970	3.6
130.07785	2.6
131.08582	66.7
133.10136	88.4
135.11690	9.3
137.05977	5.8
143.08554	6.5
145.04988	13.7
145.10132	17.7
147.04376	3.1
147.11710	8.0
149.13239	2.8
151.11179	64.3
157.10162	3.0
158.10904	5.5
159.02841	18.0
159.11678	5.8
161.11993	5.0
161.13260	63.0
163.03850	3.2
163.07542	3.0
163.14783	10.1
171.11688	3.5
173.13272	100.0
175.14848	28.9
179.14302	35.0
191.14317	65.7
193.15900	3.8
201.12466	7.2
203.14355	3.8
209.15370	26.3
229.11821	7.2
231.05019	5.5
231.13786	3.3
275.16360	3.8
299.16446	5.9
344.60901	2.9
351.45511	2.7
370.69165	2.4
373.79645	2.4
403.17450	4.7
421.18802	3.8
421.69159	2.8
457.16162	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01866	2.1
55.05517	0.6
56.61724	0.5
57.03432	1.5
58.25616	0.5
59.36233	0.5
61.02923	1.4
67.05510	2.6
69.03429	7.3
69.75562	2.9
71.05001	4.7
73.02907	1.9
79.05492	0.7
81.03426	8.8
81.07070	1.5
83.04978	0.7
83.08631	0.8
85.02912	14.8
85.06531	1.3
87.00837	8.0
91.05438	0.8
93.07030	1.9
95.04972	100.0
95.08596	1.0
97.02890	6.4
99.04457	27.3
99.08076	0.7
105.01868	4.1
105.07064	0.9
107.08617	0.8
109.02892	7.7
109.06532	1.4
109.10153	7.5
117.01890	1.3
117.66378	0.5
121.10111	0.7
127.03924	10.7
129.01833	1.4
131.08568	0.7
133.10141	6.2
135.08061	2.2
137.06042	0.8
145.04968	6.0
147.02908	0.6
149.13234	0.7
151.11191	0.6
153.09109	35.6
159.02890	4.5
173.13274	4.3
191.14337	4.2
193.16000	0.9
195.10132	0.6
209.15375	72.0
210.15680	0.6
213.04034	0.6
213.54256	0.6
231.05009	1.8
272.56931	0.6
387.54025	0.6
457.24149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
53.40571	0.2
55.01873	0.4
55.05507	1.7
57.03432	0.5
57.07067	0.7
59.05003	1.0
59.44568	0.2
61.02927	0.4
65.03933	0.4
67.05508	6.0
69.03094	0.3
69.03439	4.2
69.07072	3.5
71.04996	1.1
71.12560	0.4
72.08158	1.0
73.02912	0.4
77.03872	0.3
79.05491	2.0
81.03426	1.2
81.07062	13.2
83.04989	1.0
83.08618	0.9
85.02914	2.2
85.06556	2.1
86.09723	1.7
86.89230	0.2
87.00819	0.9
91.05471	2.3
93.07050	4.0
95.04967	0.9
95.08616	8.4
97.02905	1.1
97.06545	1.1
97.10179	0.8
98.19315	0.2
99.04489	0.5
99.08087	0.9
105.01857	0.4
105.07036	3.2
106.49982	0.2
107.04938	0.5
107.08599	4.6
109.02899	0.9
109.06526	1.7
109.10170	8.7
111.04449	0.3
111.08112	0.6
111.11727	0.3
115.05438	0.3
117.03289	0.2
117.07035	0.4
119.08591	5.2
121.06502	0.5
121.09328	0.4
121.10149	5.0
122.07294	2.1
123.08078	0.7
123.11720	6.9
125.09641	0.4
127.03908	1.8
127.07561	0.4
127.11162	0.2
129.06998	0.3
130.07732	0.3
131.08565	1.3
133.10146	3.7
135.04442	0.4
135.08064	1.4
135.11700	2.2
137.06017	0.8
137.09625	11.9
137.13249	0.9
139.11171	1.2
141.12753	0.5
142.03253	0.3
145.04950	0.5
145.10133	1.2
147.04402	0.6
147.08041	0.3
147.11700	1.9
149.09627	3.7
149.13252	1.3
151.07544	0.9
151.11163	1.4
153.09099	0.6
153.12656	0.5
157.10165	0.4
158.10905	0.3
159.08020	0.3
159.11693	0.7
161.09648	0.3
161.13295	1.3
163.03899	0.7
163.07570	0.4
163.11156	0.6
163.14845	0.8
165.09123	100.0
166.09442	0.8
167.10599	0.4
169.12228	0.3
171.11641	0.4
173.13264	2.6
175.07532	0.3
175.11137	0.4
175.14792	0.6
177.09119	1.9
177.12790	0.5
177.16359	0.2
179.10670	0.5
179.14308	0.4
183.13713	0.2
185.09616	0.2
185.13136	0.2
187.11226	0.6
187.13318	0.5
189.09100	1.1
189.12698	0.5
189.16486	0.4
190.09866	0.5
191.10727	1.0
191.14322	5.2
192.16792	0.2
193.15843	0.3
197.09535	0.3
203.10701	3.8
203.14520	0.2
205.12263	9.0
207.10191	0.4
209.15366	4.3
215.10626	0.3
217.19620	1.6
221.11613	0.3
223.13246	1.0
227.13936	0.8
229.12227	0.7
233.15382	0.3
235.20589	0.6
243.13902	0.3
245.15450	0.9
259.20508	0.5
275.23807	0.4
277.21579	0.4
287.23624	0.5
293.24753	0.7
301.17999	0.7
303.19608	0.3
305.24887	1.0
333.20425	0.3
337.30423	0.2
421.31396	0.2
439.20984	0.3
439.32101	2.7
457.15918	0.4
457.22522	1.1
457.33261	3.5
478.39053	0.2
483.41962	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3315
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
53.03931	1.0
55.05502	2.3
57.07057	1.9
67.05488	6.5
67.90166	0.9
69.07069	4.7
79.05482	5.0
81.07058	11.0
83.04959	1.2
83.08620	1.9
85.06513	0.9
91.05481	5.4
93.07039	10.2
95.04959	1.0
95.08608	19.0
97.06528	2.1
98.21533	2.4
105.07034	15.6
107.08595	18.3
109.06486	2.2
109.10156	10.3
111.08065	1.1
117.07018	1.0
119.07825	1.4
119.08587	19.8
119.39697	0.9
121.06553	1.1
121.09458	0.9
121.10153	10.0
123.08035	2.0
123.11689	5.3
125.09544	1.5
129.07024	2.5
131.08546	6.7
132.66980	0.9
133.06551	1.2
133.10133	13.6
135.08049	1.8
135.11699	18.6
135.53059	0.9
142.07726	1.5
143.08554	4.7
145.10101	9.1
147.08031	2.1
147.11679	12.8
149.09605	1.3
149.13217	5.5
151.11197	1.4
156.09331	1.8
157.10138	4.7
159.08031	1.3
159.11662	5.1
161.09586	1.3
161.13226	8.2
163.14861	5.3
171.11691	11.7
173.09612	1.8
173.13306	5.1
175.11131	2.2
175.14856	8.5
177.16287	1.7
182.10872	1.2
183.11716	2.1
185.13216	3.4
187.11234	1.3
187.14775	4.7
189.12779	7.9
189.16389	30.5
191.14273	2.3
191.17902	2.0
195.11751	1.1
197.13205	2.6
199.11107	2.9
199.14812	2.4
201.12601	1.3
201.16391	2.0
202.09892	1.2
203.14235	3.4
203.17900	3.3
207.17438	46.6
211.14775	1.1
213.12723	8.2
213.16313	1.5
215.14326	2.0
215.17975	1.3
217.12242	100.0
217.15634	2.7
218.12563	1.3
219.13657	1.1
227.14276	1.9
227.17917	1.7
231.13814	8.4
231.17456	1.7
233.15338	2.4
235.13318	3.9
245.15286	2.7
249.14850	4.2
249.18816	1.0
267.17261	1.1
409.35156	1.1
411.32288	1.7
421.30737	7.1
439.31870	30.2
457.32980	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.05507	4.4
57.07064	2.1
61.19276	1.4
67.05520	10.9
69.07071	10.6
70.67336	4.8
70.67683	1.7
76.32079	1.5
79.05502	8.0
81.06606	1.6
81.07066	24.6
83.08624	3.9
84.84480	2.0
91.05483	6.0
93.07045	23.2
95.08611	66.5
105.07033	12.0
107.08605	42.8
109.09471	2.6
109.10162	28.1
111.08111	1.7
117.85619	1.7
119.08591	22.6
119.09374	2.7
121.10162	30.2
123.11735	9.6
131.08560	2.7
133.10143	19.9
135.11702	24.0
137.13258	3.4
145.10147	3.8
147.11717	12.7
149.13254	18.8
157.15836	1.7
159.11700	6.4
161.13272	12.3
163.14832	31.8
165.12862	2.8
173.13306	5.4
175.14824	13.4
177.16389	13.1
179.14236	2.8
187.14824	5.6
189.16399	24.1
191.17984	20.7
194.98488	1.6
199.14693	2.3
201.16393	5.0
203.17970	27.1
205.19450	4.7
207.17499	7.4
213.16341	1.9
215.17815	1.9
217.19522	6.0
221.19046	2.8
229.19548	3.3
231.21045	10.5
233.18938	2.6
235.17084	1.9
245.22548	1.6
249.18474	2.3
297.25735	9.5
315.26712	5.2
393.35123	7.4
411.36285	100.0
439.36130	7.8
457.36545	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3682
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
50.45332	0.4
53.03933	0.5
55.05516	2.1
65.03973	0.5
67.05517	4.0
69.03442	0.6
69.07082	2.9
69.72290	2.4
79.05492	2.1
81.07069	7.3
83.02753	0.4
83.04996	3.0
83.08624	1.7
91.05499	2.9
93.07057	7.1
95.04990	0.9
95.08616	14.8
95.20652	0.4
97.06561	0.9
97.10196	1.1
105.07044	6.6
107.08605	11.6
109.06538	1.0
109.10168	8.0
109.10811	0.3
110.91463	0.4
111.08109	1.1
117.07041	1.1
119.08592	11.1
119.09372	0.7
121.06526	0.7
121.10161	8.6
121.11026	0.5
123.08099	1.0
123.11723	3.3
125.09644	2.6
131.08577	1.9
133.10144	7.3
135.08093	1.8
135.11713	7.9
137.09630	1.0
137.13287	1.3
139.07590	0.8
139.11165	0.4
143.08577	1.1
145.10112	2.2
147.08028	0.8
147.11694	5.4
149.09618	3.7
149.13280	2.9
151.11223	0.6
153.12820	0.5
157.10179	1.6
159.11713	2.2
161.09663	2.6
161.13301	2.5
163.11238	1.1
163.14905	2.2
169.10165	1.0
171.11752	1.7
173.09714	0.7
173.13264	1.9
175.11223	2.2
175.14857	6.3
175.73282	0.4
175.89310	0.4
177.12706	0.4
177.16402	3.3
179.14290	0.8
183.11774	0.7
185.13298	1.4
187.11301	0.6
187.14807	2.1
189.12813	1.3
189.16417	5.4
191.18028	1.8
193.15910	0.9
197.13231	0.5
199.14909	0.9
201.12813	0.7
201.16478	1.5
203.14397	1.7
203.18005	3.9
205.15938	0.8
206.16325	0.8
209.18903	0.4
213.16469	1.2
215.17957	0.9
217.15883	1.1
221.15411	0.7
221.19052	1.5
223.84605	0.4
227.18054	0.6
231.17491	0.7
235.16991	3.3
245.19008	0.5
249.18599	0.9
262.16516	0.4
267.21295	0.6
273.22311	0.8
285.22321	1.4
299.23904	0.5
303.23386	1.3
344.70621	0.4
393.32214	0.5
417.94113	0.4
420.18082	0.4
421.34940	0.8
439.36417	4.8
457.36908	100.0
458.37100	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.368
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
53.03939	0.4
55.05508	2.6
57.07082	0.8
59.31644	0.3
67.05508	3.9
69.07071	3.6
69.51490	2.3
78.53232	0.3
79.05496	2.7
81.07066	8.1
83.04987	4.8
83.08610	1.7
83.38011	0.3
85.06563	0.6
91.05493	3.8
93.07053	8.2
95.04972	1.2
95.08614	14.2
97.06536	1.5
97.10179	1.4
98.21547	0.3
99.08102	0.5
105.07036	9.2
107.08605	12.1
108.77125	0.3
109.06520	1.1
109.10166	8.2
109.11339	0.4
111.08091	1.6
111.11739	0.4
114.83423	0.3
117.07016	0.8
119.08591	9.6
121.06518	1.0
121.10150	10.6
123.08104	2.0
123.11721	3.4
125.09637	1.0
129.07030	0.9
131.08571	2.3
133.10141	8.9
135.08070	2.0
135.11705	7.8
137.09634	0.8
137.13278	1.3
139.07510	0.5
139.11211	0.7
143.08646	1.5
145.10146	3.9
147.08076	1.1
147.11699	4.8
149.09610	3.1
149.13249	3.6
151.11180	0.7
155.08543	0.6
157.10144	2.1
159.07991	0.4
159.11696	3.3
161.09639	2.6
161.13275	3.6
163.11221	1.0
163.14850	2.5
169.10129	0.4
171.11697	1.8
173.09669	0.7
173.13255	2.5
175.11293	1.7
175.14836	7.9
176.15205	0.4
177.12843	0.7
177.16415	5.2
179.14267	0.8
183.11737	0.7
185.13333	1.7
187.14850	3.3
189.12843	0.8
189.16379	7.5
191.14349	0.4
191.17957	3.8
193.15884	0.8
197.13339	0.9
199.14882	1.3
201.16405	1.8
203.14360	2.3
203.17973	5.7
207.17448	1.2
211.14775	0.4
213.16364	1.9
215.14270	0.3
215.18022	1.2
217.15874	1.6
217.19572	0.7
219.17433	0.5
221.15550	0.5
221.19034	2.6
227.18025	1.3
229.15871	1.0
229.19560	0.7
231.17445	2.4
235.16864	1.8
241.19534	0.5
243.17418	0.7
243.20886	0.4
245.18939	0.7
247.17036	0.7
249.18515	2.3
255.21135	0.8
257.19049	0.5
257.22696	0.6
263.20108	0.4
267.21072	0.9
273.22202	1.2
285.22162	2.0
303.23166	1.6
377.26233	0.4
409.35104	0.5
421.34683	1.2
427.35791	1.3
439.36288	4.7
457.36841	100.0
458.37228	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	lansiolic acid
Peak:m/z	Relative Intensity
53.03937	4.2
53.97484	2.0
53.98679	2.1
54.41454	2.0
55.01870	2.3
55.05505	16.1
57.03444	3.5
57.07066	4.6
59.64018	2.0
65.03959	2.7
67.05505	26.0
69.07067	25.3
70.10513	8.9
77.03876	2.3
78.24721	2.1
79.05489	18.0
81.07062	54.6
83.04984	5.4
83.08617	11.2
85.06544	3.6
91.05489	24.0
93.06495	3.6
93.07042	49.0
95.04954	4.1
95.08610	100.0
97.06516	7.4
97.10152	5.2
105.06402	3.9
105.07038	48.2
107.08602	75.3
109.06491	8.9
109.10158	60.5
111.08071	6.7
111.11716	3.6
117.07009	7.0
119.08588	79.3
121.06496	5.1
121.10146	70.7
123.08089	13.3
123.11713	22.5
125.09596	4.1
127.07533	2.6
129.07008	3.6
131.08580	22.6
133.10124	55.2
135.08020	10.0
135.11705	56.3
137.09618	3.8
137.13254	9.6
139.11198	3.6
142.07755	4.4
142.11995	2.4
143.08585	11.8
145.10136	35.8
147.07994	3.9
147.11696	43.9
149.09637	6.1
149.13261	29.6
151.11195	5.1
153.14236	2.3
156.09280	3.9
157.10139	16.9
158.10895	3.7
159.11703	40.8
161.09613	4.4
161.13252	41.9
163.11156	2.9
163.13583	3.5
163.14821	30.4
165.09137	8.0
171.11664	17.9
173.13234	28.1
174.10309	2.8
175.11211	5.3
175.14821	29.2
177.12761	6.1
177.16422	16.0
179.14278	4.6
183.11697	2.5
185.13274	11.1
187.14827	27.2
189.12712	7.1
189.16402	41.0
191.14273	9.5
191.17957	71.7
197.13252	4.3
199.14896	12.4
201.16412	15.6
203.14310	7.3
203.17964	38.1
205.15874	6.1
205.19542	4.5
207.13884	3.1
207.17456	13.1
213.16356	16.3
215.17929	10.7
217.12215	2.7
217.15854	11.1
217.19499	12.5
219.17433	3.5
221.15404	3.5
221.18896	3.2
225.16281	2.6
227.17958	5.7
229.15869	6.2
229.19514	5.1
231.17471	18.2
231.21121	5.6
233.18954	3.2
235.16969	4.6
241.19487	3.4
243.21092	3.5
245.18922	2.6
247.16957	2.6
249.18459	19.2
251.17682	2.5
254.66948	2.2
257.19022	2.6
257.22513	2.9
259.20404	3.3
285.22107	3.8
299.23804	2.7
362.08612	2.3
381.31824	2.9
393.35440	3.9
395.33167	4.5
397.34650	8.7
399.32492	5.4
409.34637	2.9
411.36255	10.6
421.35236	24.4
439.36011	89.7
440.36319	3.8
457.37454	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	457.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81129	2.2
55.05520	13.9
56.20855	2.0
56.43335	2.2
57.07077	6.3
62.67478	2.2
65.77141	2.1
67.05511	29.7
69.07073	22.0
71.03147	2.7
71.03481	3.9
71.08619	3.1
78.33333	2.6
79.05499	12.5
81.06599	3.6
81.07067	61.1
83.04972	2.9
83.08637	12.0
91.05501	16.5
93.07048	37.1
94.12336	2.4
95.04965	2.1
95.08617	100.0
96.09018	2.4
97.06543	2.2
97.10172	6.0
105.07037	30.4
107.04968	2.9
107.08613	49.6
109.06512	4.7
109.10167	39.8
111.08076	9.2
117.07044	4.7
119.08592	43.5
121.10154	44.6
123.08052	6.7
123.11710	20.2
125.09644	4.5
129.07021	4.1
130.07808	2.7
131.08598	13.8
131.31383	2.3
133.10138	37.9
135.08052	5.0
135.11702	30.3
137.09627	6.0
137.13271	27.1
143.08575	7.7
145.10141	21.1
147.11714	22.9
149.09648	4.6
149.13272	18.6
151.11162	4.1
156.09390	3.1
157.10114	10.4
159.11697	18.2
161.09618	3.4
161.13278	19.4
162.42136	2.5
163.14836	13.8
165.09161	23.1
165.12726	3.2
169.10141	3.8
171.11655	11.3
173.09575	2.7
173.13300	17.0
175.14825	15.4
177.12712	4.2
177.16443	8.3
179.14293	3.9
183.11673	7.2
185.13264	8.2
187.14778	11.6
189.12643	3.0
189.16400	23.9
191.14323	6.6
191.17964	22.7
197.13258	4.1
199.14839	7.5
201.12837	4.8
201.16496	11.8
203.14323	5.8
203.17943	17.6
205.19568	3.3
207.17459	7.1
213.16277	7.4
215.14342	2.5
215.18021	4.5
217.12352	3.0
217.15857	5.8
217.19525	5.8
219.13808	2.9
221.18971	2.5
225.16393	3.3
226.17241	2.6
227.17885	4.9
229.15860	3.0
229.19487	3.9
231.13707	3.0
231.17439	3.7
231.21046	5.1
235.16917	3.0
241.19505	4.4
243.17392	4.6
245.19093	4.8
255.17865	2.7
255.20877	2.9
403.29343	2.6
405.35187	4.4
411.36221	8.3
421.30023	4.1
421.34586	11.0
423.36111	6.1
439.31308	7.7
439.35712	15.2
457.32547	27.9
457.36984	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	457.3681
Annotation	lansiolic acid
Peak:m/z	Relative Intensity
55.01863	1.8
55.05513	12.7
57.07072	6.0
57.35995	1.5
65.03957	2.3
67.05515	21.3
69.03423	2.0
69.07069	21.7
69.40952	9.0
69.41359	3.1
71.05009	1.7
71.08619	1.5
79.05502	17.0
81.07059	51.0
83.08626	12.5
91.05482	13.4
91.08088	1.6
93.07055	39.7
95.04945	2.9
95.08612	100.0
97.06527	2.6
97.08020	2.0
97.10181	6.6
98.21489	3.7
105.07037	32.8
107.08605	67.3
109.10162	59.1
111.08082	4.7
117.07001	3.0
119.08595	64.4
121.10149	54.3
123.08061	3.5
123.11705	26.6
125.09645	3.2
129.87566	1.8
131.08556	8.1
133.10147	41.4
135.08061	2.7
135.11700	49.7
137.09583	1.8
137.13275	11.5
139.07570	3.9
143.08522	3.2
145.10121	12.4
145.98647	1.8
147.08051	1.9
147.10530	2.6
147.11696	40.2
149.09563	2.7
149.13252	27.5
151.07616	1.9
151.11148	3.8
153.09109	9.1
157.10172	4.9
159.11754	10.5
161.09579	2.2
161.13271	26.5
163.14832	34.8
165.09120	5.7
165.12775	3.2
167.10698	3.6
171.11758	2.9
173.13306	9.1
175.14827	21.8
177.01767	1.7
177.12729	2.1
177.16379	22.0
179.10733	3.0
179.14362	3.5
183.11719	2.1
185.13206	2.7
187.14815	13.3
189.12743	4.2
189.16394	85.5
191.17966	86.3
193.15987	3.1
199.14850	4.4
201.12697	2.1
201.16402	18.7
203.17969	95.7
205.19559	11.5
207.13741	2.9
207.17426	9.4
211.14774	1.8
213.16357	5.0
215.18073	10.7
217.16061	2.0
217.19579	14.1
219.13750	2.3
221.18945	6.1
229.19577	6.6
231.21017	12.0
235.16924	18.3
245.22600	2.5
247.16882	8.8
249.18510	30.0
257.22626	4.0
259.17072	4.8
261.18497	5.4
263.20248	1.7
271.24100	4.0
275.20062	2.9
277.21707	2.8
297.26089	1.7
317.24835	1.9
393.35339	10.2
410.55505	2.0
411.36307	58.4
421.35101	3.5
439.36130	49.6
457.37231	94.6
458.37134	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	458.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06615	0.5
53.03941	0.7
55.05503	2.3
63.14555	0.6
63.33010	0.5
65.03952	0.8
67.05500	2.4
69.03433	0.8
69.07079	3.8
70.06585	1.3
71.52054	0.8
74.59863	0.5
79.05500	2.3
81.03429	1.9
81.07074	4.9
82.07388	0.5
82.67074	0.6
83.04955	0.7
83.08633	1.8
85.02912	1.8
87.00846	1.2
91.05492	11.9
93.07063	4.4
95.08618	9.7
97.02881	1.3
103.05469	1.7
105.01881	1.3
105.07046	17.8
107.08610	17.0
109.02885	0.6
109.06570	0.7
109.10159	2.2
115.05455	0.8
117.07044	5.1
119.08595	100.0
120.08903	1.2
121.10154	2.4
127.03904	1.7
131.08568	1.6
133.10146	9.8
133.11127	1.0
135.11658	1.1
137.05962	1.8
145.04985	1.2
147.11717	1.7
175.14845	29.8
191.18010	1.1
354.18240	0.6
412.36795	0.8
423.18344	1.1
458.26205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85327	1.1
51.13533	1.3
55.01890	1.1
56.96566	3.5
57.03440	1.3
58.27611	1.3
60.09332	1.1
61.02929	3.0
69.03428	5.1
70.51078	3.6
71.66080	1.2
73.02923	3.7
81.03426	1.8
85.02906	12.1
97.02883	4.3
98.97594	100.0
100.13062	1.2
110.97575	22.1
116.98631	23.5
119.01778	1.3
125.07118	1.6
127.03934	4.6
128.98619	13.8
131.00134	1.4
134.99658	3.8
143.01833	2.1
145.04964	4.6
146.99660	3.2
158.99675	98.4
163.82919	1.4
170.03358	1.4
170.99675	24.5
173.01306	2.2
177.00726	42.0
183.04170	2.9
189.00723	28.5
191.03915	3.1
200.02469	1.6
200.04370	2.0
201.00728	3.6
203.03937	1.5
207.01822	8.4
219.01788	42.2
231.01682	6.1
237.02837	11.1
245.05116	5.0
249.02815	18.7
250.22038	1.3
255.04028	3.1
261.02829	1.8
263.06213	1.9
264.07614	5.4
272.06561	2.9
273.08044	7.3
275.06113	1.7
279.03903	98.3
281.07071	10.4
291.03882	4.2
297.04980	7.8
309.04974	15.1
339.05942	5.9
347.09177	1.6
354.09976	3.7
362.09760	4.8
365.09146	1.3
425.11377	2.0
459.19855	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	459.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	3.6
57.03445	1.7
69.03413	3.8
70.53527	3.5
73.02906	2.7
76.05252	1.2
85.02915	9.8
91.03941	1.4
97.02900	3.2
98.97588	100.0
110.69621	1.0
110.96853	1.6
110.97575	23.1
113.35863	1.1
116.98614	24.8
127.03931	5.8
128.98619	13.6
134.99594	4.3
143.01912	2.3
145.04935	4.5
146.99637	4.0
155.01872	1.1
158.99670	91.8
161.02924	2.1
163.06035	1.4
170.99673	26.1
173.01225	2.3
173.02827	1.6
177.00714	47.9
183.05064	2.8
185.02953	2.1
189.00714	27.3
191.02156	1.1
191.88982	1.2
192.05528	1.5
195.01735	2.9
201.00691	3.4
203.03993	2.1
207.01778	10.5
218.51878	1.1
219.01781	45.1
226.88954	1.3
231.01857	4.7
237.02823	8.4
243.14040	1.2
245.05087	5.1
249.02835	17.3
249.35405	1.3
255.04016	1.8
263.06207	2.8
264.07755	3.7
264.57693	1.3
273.08069	6.7
275.06094	3.5
279.03900	95.0
291.03836	4.4
297.01678	1.5
297.04865	5.3
305.07117	1.4
309.04919	14.3
339.05917	5.2
365.08960	1.8
425.11536	3.1
459.11893	1.7
459.19943	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83256	1.0
53.03935	4.7
55.01871	5.5
55.48404	1.3
57.03435	6.8
61.02937	6.5
67.05494	1.9
68.99783	1.5
69.03081	1.7
69.03432	20.3
69.44664	7.7
71.01332	4.7
71.04990	1.1
73.02908	3.9
79.05498	11.5
81.03416	8.8
81.07065	7.8
83.01320	3.3
83.04964	2.7
85.02910	44.7
86.09683	1.4
87.04480	1.6
91.03954	2.6
91.05482	24.9
93.07044	14.8
95.04958	5.4
97.02902	22.9
97.06512	3.4
98.20833	1.9
99.04447	3.8
103.05444	2.9
105.07032	2.6
107.04954	15.5
107.08559	2.2
109.02879	5.2
109.06523	9.1
111.04405	1.9
113.02374	34.9
115.03925	2.0
115.05456	1.5
119.04954	13.4
121.06510	46.3
123.04419	3.4
125.02330	2.6
127.03920	13.6
131.04889	1.3
131.08543	2.0
133.06439	2.3
135.04378	3.1
135.08090	1.5
137.02330	2.1
137.05981	100.0
138.06268	1.6
139.07523	10.0
141.06981	1.9
143.03400	14.1
144.05702	1.4
145.04965	8.0
145.06499	2.1
147.04401	5.9
147.07959	1.2
148.05185	4.2
149.06012	6.2
153.05334	1.5
155.07013	8.5
157.08673	2.1
159.08142	2.8
161.05977	5.0
163.03917	2.4
163.07529	2.3
165.05472	3.9
166.98506	1.1
169.06386	1.2
173.05943	2.7
175.03848	1.3
175.07587	1.6
177.05440	2.5
179.06902	1.5
181.08560	1.4
187.07524	5.1
191.07034	2.7
203.07024	3.5
205.08604	2.5
209.08044	2.5
215.07072	7.5
219.06487	1.8
223.09673	1.4
231.06557	1.3
233.08034	8.9
237.07483	1.7
249.07608	2.0
251.09055	3.1
255.08690	2.7
261.07516	1.5
265.10675	1.4
274.65768	1.4
279.08633	19.6
283.11697	3.4
297.09668	8.8
417.13785	1.4
459.21759	1.6
482.54272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12420	0.3
53.03939	1.1
55.01864	1.4
55.05515	3.0
57.03422	1.4
57.07059	1.2
59.04989	0.4
60.35630	0.4
61.02917	0.7
67.05181	0.5
67.05503	5.4
68.99792	0.5
69.03432	5.3
69.07059	4.0
69.67493	2.3
71.04985	1.9
73.02921	0.7
79.05466	0.9
81.03423	3.4
81.07056	6.1
83.04967	2.2
83.08616	3.0
85.02905	11.0
85.06538	1.2
87.00824	4.3
91.05473	1.4
93.07041	3.7
95.04981	0.6
95.08609	10.5
97.02893	2.3
97.06512	1.9
97.10175	0.9
98.77454	0.4
99.04456	1.9
99.08063	1.4
105.01873	2.7
105.07030	2.6
107.08588	7.3
109.02891	2.5
109.06526	3.1
109.10156	25.5
111.08083	8.0
113.06001	0.5
113.09649	0.6
117.01831	0.5
119.08577	12.6
121.06507	0.5
121.10136	7.5
123.08070	8.3
123.11701	3.9
125.09645	1.2
127.03905	5.5
127.07610	0.4
127.11191	0.9
129.01819	0.4
131.08617	0.5
133.10129	12.0
135.08102	0.5
135.11688	16.9
137.09612	20.5
137.13216	1.3
138.10429	2.8
139.11159	1.1
145.04959	1.7
147.11658	2.9
148.12054	0.8
149.13263	3.4
151.11171	2.0
151.14804	3.3
155.36153	0.4
159.02853	1.4
163.03969	0.9
165.12769	2.8
165.16370	1.4
175.14828	21.6
182.60030	0.4
191.14299	3.5
192.14609	1.6
193.15938	18.8
209.15369	0.7
211.16931	100.0
212.17302	1.4
231.04913	0.4
259.93820	0.4
280.11343	0.4
316.89960	0.4
340.14575	0.4
398.77661	0.4
454.09497	0.4
459.18744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.05517	6.5
57.03421	1.3
57.07060	1.7
59.04982	1.4
67.05508	17.7
69.03424	9.1
69.07068	11.9
69.36723	3.2
69.37142	4.6
71.04982	3.4
73.02924	1.2
79.05479	2.4
81.03407	4.0
81.07057	17.4
83.04996	7.3
83.08617	4.8
85.02914	10.8
85.06533	4.1
87.00828	5.2
91.05482	3.1
93.07041	9.5
95.04958	1.9
95.08609	31.3
97.02889	2.7
97.10167	2.6
99.04468	2.0
99.08087	4.7
101.87751	0.9
105.01839	2.7
105.07043	8.0
107.08600	20.7
109.02879	3.1
109.06504	8.5
109.10159	100.0
110.10547	1.2
111.08087	3.1
111.11799	1.0
113.09629	1.6
117.07014	1.1
119.08587	37.4
121.10148	12.3
123.08080	14.3
123.11695	7.7
125.09624	1.3
127.03930	5.3
127.11124	1.0
133.10132	24.7
135.11694	98.5
137.09633	16.0
137.10629	1.8
137.48627	1.0
139.11185	2.1
145.04982	1.9
147.11679	1.6
149.13213	6.7
151.11208	8.2
151.14821	11.3
153.12695	3.3
159.02859	1.9
165.16435	4.2
175.14835	48.6
185.80357	1.0
193.15889	76.4
199.10533	1.0
211.16937	68.1
229.25537	1.1
253.14896	1.1
260.18408	1.1
281.72198	1.2
292.25659	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
54.59340	2.0
55.01868	5.0
55.05503	10.2
57.03429	5.4
57.07088	3.4
63.20426	1.9
65.04842	2.0
67.05513	14.1
69.03432	27.9
69.07083	11.1
69.27714	3.5
69.28119	15.1
71.04995	5.9
73.02896	4.3
79.05487	9.1
81.03000	2.6
81.03432	20.7
81.07062	24.6
83.04990	4.0
83.08617	7.0
85.02917	54.6
85.06560	5.0
85.81258	1.7
87.00836	17.3
87.04459	2.7
89.03900	4.0
91.05470	9.7
91.98710	2.1
93.07050	19.9
95.04969	6.2
95.08617	26.7
97.02902	23.2
97.06541	5.9
99.04439	11.5
99.08102	13.6
103.05489	3.5
105.01866	15.5
105.07045	13.0
107.04961	7.1
107.08591	20.2
109.02876	16.1
109.06515	5.1
109.10159	30.0
111.04425	3.1
111.08095	12.0
111.80976	2.2
113.14787	2.1
117.07063	4.0
119.08591	25.1
121.10154	17.6
123.04454	7.1
123.08082	8.2
123.11698	12.1
125.09641	5.0
127.03915	37.6
127.07600	2.3
127.11195	2.2
127.44566	2.0
129.07018	2.8
131.04898	4.5
131.08617	2.3
133.02837	2.2
133.10136	33.8
135.04407	7.7
135.08072	4.3
135.11713	20.9
137.06004	14.8
137.09636	24.7
137.13309	2.4
143.08615	2.7
145.02824	5.5
145.04958	17.1
145.05968	2.3
145.06483	2.1
145.10123	4.6
147.11694	8.9
149.06020	2.6
149.09613	2.1
149.13284	16.8
151.07532	3.6
151.11194	4.7
153.07159	2.5
154.06235	6.1
159.02898	8.5
161.06007	4.3
163.03911	33.6
163.07559	8.7
165.09134	42.0
165.12775	4.9
167.07034	4.2
171.02907	2.8
175.07584	2.5
175.14848	33.3
177.16432	7.5
191.14197	4.7
193.15927	37.8
195.10179	24.6
195.17467	2.7
203.07076	4.4
211.16948	100.0
231.05052	7.3
249.06133	4.4
297.11618	2.1
303.10242	3.8
303.13867	2.6
335.12988	2.9
459.16705	7.5
459.27271	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01862	1.2
55.05503	3.0
57.03436	1.5
57.07096	0.9
61.02910	0.8
63.04260	0.8
67.05494	3.4
69.03442	6.6
69.07070	3.6
71.01527	1.4
71.04983	3.4
73.02902	1.2
79.05494	1.6
81.02994	0.8
81.03421	4.9
81.07064	10.4
83.04971	1.4
83.08619	1.6
85.02910	15.3
85.06530	0.9
87.00838	7.0
91.05493	4.4
93.07048	6.9
95.08605	17.6
97.02892	5.7
97.06540	1.3
97.10177	0.8
99.04462	2.4
99.08102	5.4
105.01861	6.5
105.07030	8.5
107.08606	10.7
109.02865	5.5
109.06520	1.7
109.10176	11.5
111.08082	4.1
113.09653	1.8
117.06972	1.0
119.08591	54.9
121.10136	3.1
123.08096	3.3
123.11703	4.3
127.03929	8.1
131.08521	1.2
133.10136	78.5
134.10500	1.0
135.11700	22.9
137.09612	9.3
145.04971	5.1
147.11691	4.2
149.13251	1.1
151.11195	1.5
151.14873	0.9
159.02928	1.9
163.03926	2.0
175.14832	100.0
176.15172	1.7
181.21149	0.8
188.83307	0.8
193.15891	25.5
211.16945	45.2
212.17291	0.8
231.05061	1.3
244.08549	0.7
247.93570	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
53.24008	0.6
55.01873	1.5
55.05504	2.6
57.03433	1.5
57.07080	3.0
61.02912	1.3
63.17852	0.6
67.05506	7.2
68.99786	0.8
69.03424	5.1
69.07077	4.6
71.04984	1.3
71.53123	1.0
79.05489	3.9
81.03412	6.2
81.07057	29.9
81.07536	1.5
83.04975	1.0
83.08624	1.6
85.02910	8.7
85.06542	1.4
87.00840	3.7
87.04467	9.3
89.03928	0.8
91.05469	3.4
93.07029	4.2
95.04969	2.0
95.08608	10.1
97.02892	5.2
97.06519	1.6
97.10160	1.1
99.04448	1.4
100.39791	0.6
105.01870	2.5
105.07032	3.4
107.04945	2.0
107.08589	5.1
109.02873	2.5
109.06517	1.9
109.10162	6.6
111.08065	0.8
115.05441	0.7
115.07609	0.8
117.03366	1.4
117.07027	1.3
119.08589	3.7
121.06529	1.0
121.10145	3.3
122.07259	1.8
123.04430	1.5
123.08089	1.5
123.11706	45.2
125.13264	6.2
127.03915	4.9
129.06989	1.5
131.04936	0.7
131.08643	1.3
133.10123	3.7
135.04413	2.8
135.08084	0.9
135.11716	3.1
136.95999	0.6
137.05931	3.8
137.09610	10.2
145.02859	1.5
145.04924	1.4
145.06512	1.4
145.10124	0.7
147.07889	0.8
147.11656	2.2
149.06021	1.0
149.09567	1.4
149.13243	4.0
151.11183	100.0
152.11517	0.8
157.10114	1.0
159.02913	0.8
159.11714	0.9
161.06061	0.8
163.03903	10.2
164.33571	0.6
165.09114	74.2
167.07076	1.0
169.86543	0.7
171.11650	0.8
175.11176	1.3
175.14774	3.0
177.09193	0.7
179.07082	0.8
185.09717	0.7
192.34230	0.6
193.12320	0.9
193.15883	5.5
197.13348	0.7
205.12263	2.4
209.09486	0.9
211.16930	59.8
212.17300	0.9
261.07678	0.6
307.26419	1.5
342.55368	0.7
367.22684	0.8
385.23770	1.6
459.27579	5.1
459.33536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51326	0.7
53.03931	3.0
55.01866	4.8
55.05507	5.7
57.03423	2.6
57.07059	0.9
59.81461	0.7
61.02912	2.3
67.05512	6.9
68.99777	1.7
69.03084	1.0
69.03436	12.3
69.07069	7.2
71.05009	5.3
73.02902	3.3
75.17755	0.7
79.05495	10.0
81.03421	10.6
81.07057	37.7
83.04949	1.8
83.08609	3.0
85.02908	27.6
85.06538	2.7
87.00835	11.4
91.03949	1.7
91.05471	6.3
93.07047	24.3
95.04994	1.3
95.08614	22.7
97.02895	14.8
97.10180	1.0
99.04463	5.6
99.08083	1.3
101.98952	0.8
105.01879	8.7
105.07033	18.8
107.05024	0.9
107.08603	45.1
108.08873	0.9
109.02884	11.9
109.10166	6.0
111.08093	1.2
111.11736	1.0
111.59676	0.8
117.01850	1.4
119.08587	37.0
121.06516	0.7
121.10150	12.0
123.08061	0.9
123.11704	7.4
125.09599	1.0
127.03931	18.3
128.06171	0.9
129.01802	1.6
131.08540	1.5
133.10138	20.3
135.11694	42.1
137.05995	1.2
137.09625	5.1
139.11165	1.8
145.04976	8.0
145.06114	1.1
145.10057	1.3
147.02890	0.8
147.11700	6.8
149.09657	1.7
149.13280	4.8
153.12796	1.0
157.10094	1.0
159.02907	6.2
163.03908	1.9
163.14828	100.0
164.15208	1.5
165.09119	39.7
165.16386	1.0
175.14830	81.1
176.15150	0.9
177.16362	1.1
181.15880	70.2
188.71362	0.8
193.15880	33.1
211.16937	45.6
213.03836	0.9
231.05019	3.5
236.30127	0.8
255.65584	0.8
273.67215	0.7
279.23093	0.9
295.26260	1.0
367.22540	1.1
385.23538	0.9
396.70004	0.8
441.33640	1.4
459.27734	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	459.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20494	0.6
53.03934	2.8
55.01867	2.4
55.05513	6.2
57.03424	2.6
57.07074	1.0
59.04995	2.1
61.02914	2.7
63.71029	0.7
67.05500	7.0
68.99800	0.9
69.03093	1.1
69.03433	12.7
69.07072	10.3
71.05002	6.3
71.19771	0.6
71.47411	1.0
73.02915	1.4
79.05496	5.9
81.03416	8.3
81.07064	13.0
83.04970	1.6
83.08628	4.5
85.02908	25.2
85.06542	2.3
85.30756	0.6
87.00834	12.0
87.04510	0.8
89.03907	1.9
91.05490	6.6
93.07043	9.3
95.04983	3.7
95.08611	14.3
97.02907	9.7
97.06531	14.2
97.10183	1.6
99.04466	9.9
99.08070	1.4
103.05473	0.7
105.01874	10.5
105.07026	7.0
107.04948	3.1
107.08592	11.1
109.02885	6.1
109.06531	7.9
109.10164	10.4
111.04445	1.4
111.08084	2.3
111.11734	3.7
113.09663	0.7
115.03924	0.9
115.07571	10.6
117.03378	3.0
117.07033	0.8
119.04977	0.9
119.08591	15.0
121.06504	1.6
121.10151	7.5
122.07309	1.8
123.04443	5.6
123.08070	5.8
123.11716	12.6
125.09642	1.4
127.03939	15.9
129.06999	0.8
131.08528	0.9
133.10141	22.1
135.04436	6.9
135.08121	0.9
135.11707	21.4
137.05986	2.2
137.09625	16.3
137.13248	0.9
139.11192	1.4
141.09042	1.3
141.12761	1.6
145.02867	3.4
145.04976	4.9
145.10133	1.5
147.04454	1.4
147.11707	2.5
149.06004	1.1
149.09552	0.8
149.13287	11.5
151.07564	1.4
153.12752	1.8
157.06422	1.0
157.10098	0.8
159.02936	2.2
161.05923	0.9
161.13280	0.8
163.02560	1.5
163.03918	23.2
165.09126	100.0
173.13229	0.9
175.14844	32.6
177.16347	1.2
183.70349	0.7
189.03912	0.9
193.15887	48.0
203.06952	1.0
203.10634	1.0
205.04857	0.7
205.12219	4.2
209.15436	1.9
211.16943	55.5
228.53601	0.7
231.05022	3.2
243.06599	1.1
277.25348	2.6
295.26361	4.5
307.26297	1.6
367.11862	0.8
367.22534	0.8
385.23978	0.9
441.33951	0.9
459.12436	1.4
459.22040	1.6
459.27490	2.5
459.34659	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	459.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01855	0.5
55.05517	2.2
57.03411	0.5
57.03667	0.1
57.07056	0.2
65.03916	0.2
67.05508	5.8
69.03440	0.7
69.07062	1.9
70.72218	0.4
71.04975	0.6
77.03932	0.2
79.05083	0.2
79.05496	2.6
81.03421	4.4
81.06596	0.3
81.07059	5.1
83.04980	1.0
83.08605	1.2
85.02919	1.3
85.06518	0.4
87.00817	0.5
91.05485	3.1
93.07050	2.2
95.04959	1.4
95.08610	5.1
97.02863	0.6
97.06532	1.0
97.10194	0.9
99.04404	0.2
103.05418	0.2
105.01836	0.3
105.07030	2.5
107.04954	1.5
107.08595	2.2
109.02880	0.6
109.06535	1.3
109.10160	5.1
110.06843	0.2
111.08058	0.5
115.05456	0.4
117.07001	0.6
119.08581	4.0
121.06485	0.7
121.10136	1.5
122.07303	1.8
123.04370	0.4
123.08057	0.7
123.11710	1.5
125.05939	0.2
125.09644	0.5
127.03923	0.7
127.07562	0.7
128.06239	0.3
129.07001	0.9
129.66719	0.1
129.77170	0.2
131.04909	0.4
131.08586	1.4
133.06473	0.3
133.10133	2.3
135.04364	0.3
135.08044	0.6
135.11684	1.4
137.05966	0.5
137.09619	11.7
137.13255	0.5
138.17949	0.1
141.07022	0.3
142.06729	0.1
142.07794	0.2
143.08562	0.3
145.04968	0.3
145.06465	0.9
145.10100	0.5
147.08025	0.4
147.11679	1.6
149.06070	0.2
149.09619	1.1
149.13251	1.2
151.07573	0.2
151.11162	0.4
151.14703	0.1
153.12767	0.2
155.08521	0.3
157.10181	0.7
159.07983	0.3
159.11691	0.3
160.08908	0.2
161.05933	0.2
161.09573	0.2
161.13280	0.2
163.03932	0.5
163.11208	0.4
165.09114	100.0
166.09456	0.7
169.10080	0.2
170.59662	0.1
171.08170	0.2
171.11748	0.3
173.09628	0.2
173.13316	0.2
175.11200	1.0
175.14824	1.7
177.09167	0.5
183.11700	0.1
183.13808	1.0
185.09653	0.1
187.11180	0.2
189.08995	0.2
189.12752	0.3
191.10728	0.3
193.12230	2.0
193.15889	2.5
195.08046	0.2
195.11758	0.3
197.13213	0.3
201.09056	0.3
202.09467	0.2
203.10663	0.2
203.14308	0.3
205.12239	2.7
205.15651	0.1
209.15327	0.2
211.16963	2.2
213.12923	0.4
215.14435	0.2
223.13287	0.2
225.12737	0.2
237.12807	0.2
249.14906	0.3
255.13905	0.2
257.15274	0.2
273.14816	0.8
275.24280	0.2
287.16083	0.2
289.25244	0.4
307.26321	1.8
339.23242	0.3
349.21698	0.7
357.24213	0.3
367.22684	1.5
385.23724	1.6
403.25034	0.4
441.27020	0.3
441.33829	0.5
449.08957	0.2
458.64511	0.2
459.27499	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	459.3836
Annotation	Protoprimulagenin A
Peak:m/z	Relative Intensity
55.05513	6.1
57.07069	3.4
65.03938	1.8
67.05508	14.2
69.07079	10.4
71.05002	2.2
71.08633	1.6
79.05510	10.8
81.07060	29.6
83.08615	5.5
83.16202	1.6
89.93778	1.6
91.05464	8.2
93.07048	20.5
95.04965	3.8
95.08618	44.1
97.06509	3.7
97.10196	4.8
104.93037	1.7
105.07037	17.9
107.08604	30.3
109.06512	4.9
109.10162	26.5
117.07025	2.5
119.08600	24.2
121.06518	1.8
121.10147	22.3
123.08086	5.3
123.11694	10.6
125.09566	1.7
129.61815	1.6
131.08583	7.0
133.08609	2.2
133.10155	23.2
135.08041	5.1
135.11713	29.5
137.09601	3.5
137.13261	3.5
145.10121	13.0
147.11720	10.7
149.09650	2.0
149.13255	9.7
151.07582	12.1
159.11725	11.6
160.77103	1.7
161.13281	14.7
163.14827	11.2
165.09140	2.7
171.11711	1.8
173.09546	2.0
173.13286	8.1
175.14761	8.3
176.08446	2.3
177.12764	2.5
177.16397	5.6
186.11346	1.6
187.14783	5.6
189.16409	20.9
191.10686	31.6
191.17961	10.7
201.16426	16.7
203.17952	6.8
205.12164	2.1
207.17461	27.8
213.16351	1.8
215.17990	5.2
217.19450	3.5
219.17464	80.5
233.19075	3.6
241.19550	2.3
243.21071	2.1
269.22620	2.5
405.35266	2.5
423.36258	6.8
441.37442	100.0
442.37466	3.1
459.28857	2.6
459.38589	38.5
460.52869	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	459.3837
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
50.03290	1.3
55.01882	1.5
55.05522	7.5
57.07077	2.8
59.05032	1.8
67.05503	17.6
69.07063	11.7
69.46507	10.1
70.42413	1.4
71.05008	1.6
72.94110	1.2
73.79596	1.6
75.62532	1.4
75.76077	1.3
77.53904	1.1
79.05496	15.8
81.03445	2.7
81.07056	42.8
83.04985	1.7
83.08639	7.4
84.27827	1.2
89.14983	1.3
91.05487	14.7
93.07044	33.1
95.05004	2.6
95.08612	74.8
97.06548	4.0
97.10205	5.0
103.05505	1.4
105.07027	28.7
105.07676	1.8
107.08602	48.9
107.09305	2.7
109.06527	1.8
109.10159	45.2
110.10532	1.4
110.18449	1.4
111.08120	4.3
111.11720	1.7
113.04437	1.3
113.09638	1.6
117.07011	6.5
119.08580	36.1
119.71525	1.3
121.10149	44.9
123.08096	1.7
123.11703	18.8
125.09660	2.8
127.39571	1.3
129.06984	1.6
129.12848	1.4
131.08568	9.2
133.10132	28.0
135.11687	35.7
137.06033	5.5
137.09648	2.4
137.13341	3.9
138.06342	3.1
143.08594	3.1
145.06516	1.7
145.10143	17.7
147.11685	25.4
149.09703	1.7
149.13280	20.1
151.07581	3.2
151.11259	3.3
151.14845	1.6
157.10162	3.8
159.11696	18.9
161.13260	20.3
163.03972	2.7
163.11282	1.6
163.14832	21.2
163.16068	1.3
165.09222	2.4
165.12836	2.5
171.11705	3.8
173.13287	11.5
175.11359	1.7
175.14818	16.0
177.12901	2.7
177.16415	10.0
179.14401	6.0
184.86952	1.5
185.13380	2.1
187.14803	10.8
189.16382	26.5
189.17888	2.0
191.14334	2.2
191.17958	64.6
193.15994	4.4
199.14883	1.8
201.16458	12.0
203.17952	29.6
203.19739	1.8
205.12399	1.6
205.15964	6.0
205.19479	6.7
207.17432	15.0
211.14832	1.5
213.16515	2.3
215.17969	14.4
215.19627	1.3
217.16039	2.2
217.19568	10.8
219.17442	8.9
221.19041	17.1
227.18079	2.6
229.19594	3.7
231.17570	2.1
231.21217	4.8
233.15623	2.7
233.19072	9.3
237.18564	2.7
241.19585	1.7
243.21230	1.9
245.22758	2.2
247.20595	1.9
249.18642	4.6
251.20146	9.0
271.24445	1.7
273.22406	1.9
347.21432	1.5
355.15268	1.8
393.35358	3.4
411.36243	29.8
411.41260	2.0
423.36624	14.8
429.37567	6.6
441.38019	31.0
459.27924	3.8
459.38596	100.0
460.39240	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	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	7.9
57.03437	2.3
69.03428	2.9
69.27940	3.4
69.28361	2.3
70.06595	1.9
74.06081	100.0
81.03427	3.0
83.05009	0.8
84.04485	3.0
85.02898	4.4
86.06069	1.4
88.07619	1.3
91.05518	0.6
97.02891	2.8
98.06060	9.5
102.05544	9.1
107.05009	1.1
109.02882	6.4
109.06570	0.8
111.04444	1.0
114.05489	0.9
116.07095	48.4
120.06583	27.6
126.53240	0.7
127.03951	3.4
137.06003	1.7
138.06470	0.6
144.06566	51.7
145.05014	1.9
147.04449	0.7
149.99899	0.7
162.07623	15.5
162.08945	1.1
164.07082	0.9
176.56734	0.6
182.08266	0.7
193.08566	0.7
204.08719	0.7
210.07661	2.1
228.08757	2.3
240.08607	1.4
246.09731	3.3
252.08794	1.6
264.10846	1.7
270.09714	10.7
288.10785	7.3
306.11697	6.1
330.13550	0.8
460.16547	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	460.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01871	7.6
55.05520	0.6
57.03436	4.8
57.07068	0.4
58.69981	0.5
60.04525	1.5
61.02929	4.5
64.83763	0.4
65.03951	0.4
67.05509	1.0
68.99802	2.7
69.03432	25.5
69.07063	0.8
70.06601	0.6
70.14546	0.4
70.40191	1.6
71.01350	0.6
71.05000	4.5
73.02917	6.9
79.05482	0.9
80.05005	0.9
81.03419	26.2
81.07058	1.2
83.01363	0.8
83.04955	0.5
85.02906	72.7
87.00829	28.4
87.04459	0.9
91.03951	2.7
91.05506	1.2
93.03410	0.7
93.07050	0.9
95.04978	0.6
95.08623	3.0
97.02893	29.5
98.06091	1.0
99.04459	14.1
99.08131	0.7
101.02347	0.9
103.05470	4.7
105.01868	27.6
105.07042	2.3
107.04959	7.1
107.08585	2.0
108.04480	8.8
108.05169	0.7
109.02880	28.8
109.10141	0.5
115.03944	1.3
117.01845	3.3
117.05585	0.4
117.06950	0.5
119.08594	0.8
120.05727	0.4
121.10152	3.1
126.05514	4.0
127.03920	51.4
129.01848	3.6
131.04951	1.1
133.06540	0.6
133.10132	0.8
135.08069	5.9
135.11679	0.8
139.03889	2.4
144.06584	0.7
145.04964	26.2
147.02898	3.0
147.03993	0.4
149.13187	0.7
154.06247	26.3
159.02896	17.8
163.07549	23.6
164.04247	0.4
165.09146	1.6
166.09518	0.5
167.07065	1.6
175.14911	1.1
177.04018	1.0
177.16379	7.0
180.07809	1.6
189.03940	1.2
193.08569	0.5
195.10173	100.0
195.17345	2.5
196.10530	1.4
199.58302	0.4
207.10173	1.2
211.17117	0.6
212.05565	0.9
213.03949	2.7
219.10263	0.5
230.06586	3.6
231.05008	12.4
248.07666	6.7
249.06046	1.6
257.11761	0.9
266.08667	2.6
285.11273	0.8
303.12167	1.4
440.25632	0.5
460.33282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76157	1.0
53.03956	7.2
55.01880	8.8
55.05519	1.2
57.03440	5.2
60.04542	7.1
61.02934	6.2
67.05490	2.9
67.37764	1.1
68.99787	2.5
69.03434	26.7
70.06602	1.1
70.90585	1.4
70.90926	2.1
71.04990	5.1
73.02921	7.4
79.05476	3.9
80.05042	1.0
81.03424	25.3
81.07046	2.9
82.06568	3.3
83.04980	2.3
85.02911	66.3
87.00314	2.1
87.00835	28.5
88.07648	1.8
91.03954	1.2
91.05478	3.3
93.07045	4.2
94.06600	1.8
95.04986	3.8
95.08627	2.1
97.02298	2.0
97.02898	26.1
98.06049	1.0
99.04466	9.7
103.05461	1.8
105.01874	20.6
105.07027	2.9
106.00043	1.0
107.04964	30.7
107.08614	1.2
108.04489	6.8
109.02888	27.5
110.09649	1.5
115.03915	1.5
115.05467	2.2
116.72797	1.0
117.01851	3.2
118.19775	1.1
121.06572	1.2
125.06025	1.9
126.05526	5.1
127.03928	47.3
129.01834	4.1
135.08078	9.1
135.11650	1.2
137.05890	1.2
138.09108	5.7
139.07556	1.6
145.04976	23.0
147.02901	2.6
149.05968	1.1
156.10185	2.2
159.02898	18.5
163.07558	34.2
167.07036	14.1
180.07826	1.6
187.07571	1.3
189.03937	2.4
189.62473	1.0
195.10182	100.0
205.08514	1.4
207.10162	3.0
213.03943	1.9
215.23888	1.0
219.10141	1.5
230.06619	2.3
231.05034	9.4
248.07712	6.2
266.08771	2.1
303.12164	2.9
406.29352	2.4
424.30414	3.4
442.31555	10.1
460.32770	11.1
461.19659	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
63.04498	1.0
69.03430	1.5
70.06596	97.0
70.64523	1.0
71.06915	0.5
72.08174	0.6
73.43247	0.4
81.03425	2.5
85.02917	4.9
86.09743	0.5
89.03884	0.5
95.08589	0.5
97.02905	1.9
99.04480	0.5
107.29853	0.4
109.02882	4.5
112.07611	100.0
113.07916	0.5
116.07083	2.6
119.10706	3.5
127.03922	4.1
132.08037	0.5
140.07074	59.1
145.04985	1.7
147.04427	1.7
158.08138	16.3
163.03961	0.9
163.06009	0.9
164.04337	0.6
164.07095	1.1
165.07405	1.0
173.13019	0.4
200.09172	0.8
230.10416	0.8
266.10220	4.4
284.11304	24.4
302.12384	9.8
330.13449	1.8
396.16257	1.7
424.19467	1.3
442.20862	2.5
460.15808	3.4
460.22046	0.7
460.99240	0.5
474.48688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.4
66.58401	0.3
69.03433	1.3
69.85468	1.4
69.85882	0.7
70.06593	1.6
80.22852	0.4
81.03419	1.7
85.02895	1.5
86.09702	0.5
91.05487	6.1
97.02898	0.7
103.96777	0.4
108.95884	0.4
109.02911	1.1
112.07603	1.5
113.07954	1.0
119.04948	17.5
127.03900	0.8
135.04382	0.5
140.07059	1.1
145.05006	0.4
147.04420	100.0
148.04822	0.5
150.75481	0.4
158.08195	0.4
163.03894	2.0
165.05502	2.8
185.08156	0.5
285.11734	0.7
291.08667	2.3
295.18240	0.4
299.11380	0.8
303.12378	0.5
309.09653	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	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01863	1.0
55.05502	4.9
56.98895	0.9
57.07045	1.4
59.54537	0.8
67.05495	2.6
69.03432	5.8
69.07065	8.9
71.03297	1.5
71.03616	1.0
71.04961	1.3
79.05479	3.9
81.03422	2.0
81.07055	10.1
83.08621	6.5
85.02522	0.9
85.02917	10.5
85.06532	2.7
87.00817	6.5
91.05457	2.8
93.07043	9.6
95.04948	1.2
95.08607	21.5
97.02866	4.6
97.10173	4.5
99.04452	1.1
99.08102	14.9
105.01854	8.1
105.07028	2.5
107.08597	23.9
109.02854	2.6
109.10143	5.8
111.08085	5.0
113.09606	1.5
119.08514	1.2
121.10149	42.7
123.11678	1.8
125.09625	6.2
127.03925	6.2
135.11699	7.9
137.13263	4.3
145.04939	4.2
149.13248	2.5
159.02901	1.1
177.16391	100.0
178.16734	1.2
195.17456	24.2
213.18507	26.0
231.05058	1.9
231.45551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	16.9
54.99414	2.6
55.01872	17.2
55.05517	28.9
57.03440	11.9
57.07065	6.7
59.05002	2.9
61.02918	11.5
63.89788	2.2
67.05502	11.1
68.99786	5.6
69.03432	69.0
69.07070	43.1
69.61956	15.0
71.04987	11.4
72.72298	2.2
73.02931	15.8
73.73056	2.4
79.05466	4.5
79.34396	2.2
81.02933	3.5
81.03416	70.1
81.07055	28.1
83.04980	17.0
83.08610	12.0
84.81795	2.2
85.02907	99.3
85.06545	22.0
87.00835	45.0
91.03954	7.4
91.05504	6.6
93.07043	13.1
94.65799	2.6
95.08614	43.3
97.02885	30.5
97.06522	8.4
97.10179	13.5
98.21432	3.7
99.04462	23.0
99.08100	37.4
105.01877	30.9
107.04952	7.2
107.08602	27.9
109.02888	66.8
109.10159	16.7
111.08082	4.1
111.11723	10.5
113.09634	12.3
117.01832	8.9
119.04883	3.4
121.10154	32.0
123.11710	10.0
125.09623	11.0
127.03921	100.0
127.11182	3.8
129.01823	5.4
135.11729	17.1
137.13269	16.9
139.11179	9.7
145.04968	34.8
147.02902	6.6
147.04347	3.9
149.13252	4.9
151.07549	4.4
151.14830	4.9
153.12746	18.2
159.02878	41.6
171.02916	3.6
175.14915	3.5
177.16389	83.3
193.04865	3.7
195.15627	4.8
195.17450	98.8
196.77335	2.6
213.03938	5.7
213.18509	84.6
231.05002	25.8
250.86334	3.0
265.75864	3.1
299.09109	10.4
425.22009	3.1
461.23849	24.4
468.85724	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	461.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	2.5
53.03937	6.8
55.01859	9.3
55.05275	2.5
55.05514	31.5
57.03428	9.5
61.07034	2.3
65.03941	6.4
67.05507	71.0
69.03416	3.4
69.07069	25.6
71.04984	5.5
71.52097	2.5
71.52566	2.7
77.29287	2.1
77.46620	2.4
79.05495	75.4
81.03407	9.0
81.07059	65.3
83.04982	15.6
83.08625	19.3
84.18516	2.1
85.06575	5.1
91.05483	79.2
93.06490	4.1
93.07049	67.3
95.04985	18.6
95.08615	39.8
97.06531	12.8
97.10173	8.9
99.08099	4.1
103.03879	2.6
103.05454	3.1
105.03434	2.2
105.04503	3.1
105.07034	62.5
107.04982	12.8
107.08585	30.9
109.06512	9.3
109.10156	18.0
111.08040	5.8
115.05457	7.1
117.07024	38.6
119.04979	2.3
119.08587	37.0
121.06527	8.3
121.10130	13.2
123.08071	8.0
123.11706	2.7
125.09669	5.7
128.06232	11.3
129.07010	43.7
130.07765	4.4
131.04913	3.2
131.08574	43.9
133.06496	7.7
133.10136	21.7
135.08055	7.8
135.11702	20.8
137.09567	4.0
141.07019	11.7
142.07811	5.0
143.08583	33.3
145.06528	11.0
145.10141	23.0
145.91519	2.3
147.04413	3.0
147.08055	11.2
147.11711	18.7
149.09645	6.8
149.13274	5.7
151.11208	2.6
153.06993	3.7
154.07805	2.6
155.08585	23.6
155.64647	2.4
157.06487	2.7
157.10168	19.5
159.08063	6.8
159.11665	15.4
161.09683	5.5
161.13271	6.7
163.11172	7.7
167.08583	11.4
169.10167	16.0
171.08054	5.5
171.11684	20.5
173.09544	3.1
173.13280	4.9
175.11171	5.4
177.12790	4.4
179.08560	5.9
181.10175	13.2
183.11717	14.5
185.09608	2.9
185.13290	7.7
187.14790	4.3
189.12744	4.9
193.10194	4.3
193.12238	4.4
195.11604	11.0
197.09621	2.4
197.13290	9.9
199.11249	3.7
199.14755	6.8
201.12799	3.6
207.11717	6.8
207.13809	11.3
209.13303	8.2
211.14832	6.1
213.12793	3.9
215.14375	10.1
217.15904	2.3
221.13301	6.4
223.14841	7.8
225.12852	2.7
225.16476	3.3
227.14616	2.7
235.14827	3.6
239.14307	3.6
253.15906	5.0
257.15451	7.2
265.50763	2.6
271.16998	5.2
323.23706	2.8
333.22220	11.4
341.24731	9.2
351.23184	43.7
369.24246	35.5
375.17529	2.9
387.25363	18.4
395.83325	2.3
425.26822	4.0
425.34204	4.9
433.29523	4.6
443.27884	55.5
443.34213	3.8
461.28967	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	461.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
53.38562	0.7
54.86377	0.6
54.88420	0.7
55.01854	2.3
55.05513	12.0
57.03420	2.2
57.07065	1.5
58.47083	0.6
59.04996	0.9
63.04403	0.8
65.03926	1.7
67.05510	24.6
69.03430	1.8
69.07076	8.2
71.04985	1.9
71.18948	1.2
77.83650	0.6
79.05083	1.2
79.05499	17.0
81.03424	23.1
81.06599	1.4
81.07061	27.7
83.04992	4.0
83.08620	10.0
85.02898	1.6
85.06523	1.6
88.07613	1.0
91.05489	16.8
93.06493	1.5
93.07049	21.1
95.04974	11.6
95.08064	1.1
95.08618	12.4
97.02850	1.3
97.06544	3.5
97.10181	3.6
99.08092	1.1
103.05473	0.7
105.07043	10.8
107.04962	5.8
107.08600	10.1
109.06512	2.4
109.10162	7.9
110.21093	0.7
111.04419	1.0
111.08087	3.9
115.05477	0.8
117.07033	6.2
118.70551	0.6
119.04889	0.8
119.08583	11.0
121.06498	4.6
121.10136	6.3
122.07264	1.5
123.08056	2.2
123.11700	2.0
125.09641	3.0
127.03944	1.8
128.06165	0.8
129.06982	4.3
131.04929	1.4
131.08574	9.6
133.06499	2.1
133.10139	5.4
135.08046	2.3
135.11719	2.9
137.09628	12.5
139.07545	0.8
143.02621	0.6
143.08517	3.3
145.06506	3.1
145.10112	2.9
147.08081	3.4
147.11688	2.5
149.09595	2.5
149.13264	9.4
151.53728	0.7
152.08350	0.8
153.09079	1.0
155.08575	2.3
157.10167	3.8
159.08023	1.4
159.11700	4.5
161.09561	1.5
163.11209	1.2
165.09123	100.0
167.08563	0.8
167.14401	1.6
169.10149	0.8
171.11705	1.2
173.09636	1.0
175.11220	4.2
177.12744	2.1
181.10144	0.8
185.09621	1.0
185.13277	1.0
187.14931	0.9
189.11206	2.0
193.12259	9.0
195.13809	2.2
199.14792	1.3
205.12234	3.7
213.12851	1.1
213.14867	1.3
215.14275	1.5
217.15846	2.3
227.12823	1.1
227.24396	0.7
231.13890	1.6
233.15466	0.8
239.34236	0.7
246.85339	0.6
249.14912	1.5
249.34424	0.7
257.15485	0.9
259.17087	1.1
271.16968	1.0
291.26996	0.9
309.27914	4.7
341.07361	0.7
341.24820	0.9
343.22754	1.4
351.23245	3.2
356.14099	0.7
369.24243	6.5
387.25186	4.4
405.26617	0.8
417.26382	2.2
425.34509	1.3
443.27838	8.8
443.34369	1.3
461.29019	51.3
462.29190	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	0.8
66.37944	0.4
67.05513	0.8
67.28922	0.3
68.99326	0.3
69.03419	0.6
69.07092	0.4
70.06611	0.8
71.51377	0.4
72.08139	0.7
73.40004	0.4
74.09711	0.7
79.05503	0.7
81.03432	0.8
81.07072	1.8
83.04981	1.0
85.02918	1.1
88.21735	0.4
91.05487	7.6
93.07063	0.4
95.04999	0.7
97.02866	0.5
99.04475	0.5
101.06031	1.6
104.99272	0.3
105.07027	1.3
107.08621	1.0
109.02911	0.5
109.06526	1.3
113.06046	0.5
117.07016	0.7
119.04956	19.2
119.08591	5.3
127.03929	0.8
131.08604	2.1
133.06511	1.0
135.08052	0.6
137.05968	0.5
144.09331	0.6
145.04961	0.7
145.10185	1.0
147.04425	100.0
148.04727	1.0
149.09637	1.0
159.08058	1.2
159.11723	3.7
163.07491	0.5
164.07193	0.5
165.05487	3.1
172.08824	0.8
173.13280	1.5
176.06807	0.4
177.05496	1.0
177.09154	0.4
177.12787	0.7
187.11179	4.1
191.14368	0.5
199.11269	0.5
201.12766	1.9
205.12430	0.5
215.10680	1.4
219.13773	4.9
219.15642	0.4
220.56145	0.3
229.12189	3.4
233.11757	0.5
237.14339	0.4
247.13319	7.7
265.10593	0.7
265.14508	0.5
283.11768	1.1
291.08698	0.9
309.09717	3.8
462.21851	0.4
467.19778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59119	2.7
55.01866	3.6
55.05506	7.0
57.03442	4.4
65.03938	3.4
65.57918	2.8
67.05501	20.7
69.03430	15.9
69.07043	5.8
69.65810	18.0
70.06596	10.9
71.05025	2.9
74.09703	7.0
79.05486	9.8
81.03423	5.9
81.07052	8.2
83.04991	21.4
85.02908	23.6
85.06557	5.9
91.05486	32.7
93.07035	7.9
95.04969	19.6
95.08607	3.0
97.02912	8.1
97.06570	4.0
98.20854	3.9
103.05427	3.7
105.07027	25.6
107.04975	4.1
107.08595	72.6
109.02879	4.8
109.06518	5.6
111.04445	5.5
113.06001	23.4
117.07011	7.0
119.04917	3.4
119.08588	100.0
119.94873	2.9
121.06521	9.5
121.10168	5.0
123.04422	6.4
123.08074	6.0
125.02353	6.4
126.38456	2.6
127.03931	6.8
129.07022	4.5
130.06535	12.8
130.07729	4.2
131.04932	6.2
131.08594	28.6
133.06497	26.7
133.10146	7.9
135.08070	72.1
137.06018	5.6
141.05528	3.4
141.07042	3.6
142.07736	4.3
143.08571	18.0
144.09341	7.3
145.04982	8.9
145.06491	4.8
145.10141	22.7
147.04427	7.5
147.08043	14.4
148.71021	2.7
149.09605	11.0
153.07005	4.4
155.08565	4.4
156.09383	3.0
157.06374	3.8
157.07632	66.4
157.10133	12.7
158.10924	11.0
158.12093	3.3
159.08075	22.3
159.11685	20.1
161.09636	9.7
163.07561	14.7
163.11156	4.3
168.09366	6.0
170.10956	4.0
171.08096	3.7
171.11690	5.8
172.08838	5.9
173.09633	9.7
173.13269	63.8
177.05373	4.1
177.12823	3.9
183.11699	23.8
185.07056	3.9
185.09708	3.0
185.13231	5.4
186.10384	7.9
187.07686	3.5
187.11165	10.8
189.09077	3.5
196.08910	3.2
201.10844	4.5
201.12749	95.9
205.12315	19.9
211.11186	6.5
219.13817	7.5
229.12257	60.3
247.13301	30.3
254.12860	21.0
265.14423	5.0
282.12375	81.1
283.15533	5.2
300.13242	4.5
457.94473	2.7
462.17667	4.2
462.23340	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	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.05508	4.1
57.30403	1.7
61.02939	2.9
67.05486	5.6
69.03435	8.4
69.07061	5.1
70.07978	7.6
70.08334	3.3
71.04989	4.6
74.60838	1.4
79.05505	17.5
81.03425	2.1
81.07059	13.8
83.04990	14.7
85.02894	6.0
85.06534	1.9
91.05490	9.6
93.07046	26.5
95.04945	9.8
95.08601	10.2
97.02860	2.9
97.06542	14.1
98.20866	2.4
99.04465	3.9
105.06403	3.0
105.07042	37.7
107.04951	15.9
107.08599	15.9
109.06522	11.4
109.10165	3.6
111.08125	2.6
117.07017	7.3
119.04974	13.9
119.08577	7.9
121.06506	20.4
121.10126	4.8
125.06002	19.3
129.07014	2.4
130.07748	2.1
131.08588	8.4
133.06520	9.3
133.10165	2.9
135.08043	7.3
135.11697	9.3
137.05986	4.0
139.07538	11.4
141.06990	2.1
143.07059	11.5
143.08540	5.5
144.09496	1.8
145.06450	4.0
145.10129	53.8
147.11679	14.3
151.07561	2.9
155.07124	2.2
155.08513	1.6
157.08606	17.2
158.07248	2.5
159.08046	3.2
159.11703	20.4
161.09581	2.9
161.13225	2.9
163.11191	100.0
165.12820	2.0
169.10130	6.0
171.11766	1.9
171.72614	2.0
173.09634	47.1
177.12668	2.5
179.08633	1.9
184.17804	2.1
187.11201	33.5
189.12753	16.6
191.10707	26.5
195.13841	4.3
197.09590	6.0
205.12222	18.0
207.13779	10.2
215.10669	39.1
223.13246	7.9
233.11732	97.8
239.16467	15.4
251.12808	34.9
265.14456	9.5
269.13760	3.2
283.15436	18.3
359.15109	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	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96597	4.3
67.05493	8.3
69.03416	12.3
69.07065	11.6
70.37589	5.3
70.93747	10.3
75.21019	4.6
76.24808	5.7
78.56375	4.2
79.05476	14.9
81.07059	8.1
83.04971	9.6
85.06544	4.9
91.05486	12.5
93.07029	21.0
95.04982	6.4
97.06509	13.5
99.04409	8.6
105.07041	34.5
107.08608	13.0
109.06532	9.9
112.88469	6.5
117.06998	6.3
119.04961	31.6
119.08560	8.5
121.06480	15.4
125.05988	24.7
129.35298	4.9
131.08571	7.1
133.06450	6.4
135.11662	6.2
137.05959	7.7
143.07039	10.6
145.06534	5.4
145.10112	45.4
147.11720	7.8
157.08592	10.4
159.11653	20.3
163.11209	55.8
173.09607	29.5
175.07497	6.4
177.12784	8.2
187.11205	34.5
191.10701	13.0
197.09644	8.1
205.12169	33.1
215.10689	40.0
233.11710	100.0
251.12753	46.5
269.13760	20.4
283.15439	8.8
368.43539	5.2
385.67261	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	463.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.01868	4.8
56.89826	1.6
56.96568	22.2
57.03445	9.5
57.54004	1.5
61.02926	17.8
67.05524	2.0
69.03089	2.8
69.03432	35.5
69.53191	7.4
69.53595	3.7
70.06580	2.7
71.04988	5.5
72.08157	5.3
73.02924	13.1
79.05503	8.2
81.03423	14.3
81.07057	9.6
83.01335	2.1
84.04501	9.8
84.08162	3.0
84.96031	5.8
85.02912	100.0
86.03248	3.9
86.09702	2.8
87.04456	8.8
91.03954	9.9
91.05484	9.0
93.07040	2.8
95.04990	2.0
97.02899	39.6
98.97590	57.7
98.98215	3.8
99.04469	7.6
101.00878	4.7
102.05531	3.1
102.96944	3.0
104.01311	1.8
105.07038	3.4
107.04974	3.1
107.08633	3.3
109.02882	13.0
109.06548	11.6
110.97583	12.9
112.99126	4.2
116.98636	16.6
118.06624	1.7
118.08585	1.7
119.01943	10.4
119.04919	2.5
121.06521	7.6
123.08102	2.5
127.03935	27.7
128.02275	2.1
128.04295	2.5
128.98616	9.9
130.05009	5.2
131.00139	5.5
131.01878	6.3
134.99591	2.5
137.05988	59.1
138.06357	2.9
140.02295	1.9
141.09108	2.8
143.00151	6.1
143.01920	5.0
144.98114	2.4
145.03679	2.0
145.04961	30.1
146.02286	2.2
146.99658	6.0
147.03311	2.3
147.04411	7.0
148.06064	2.1
149.01163	2.2
149.05998	2.6
150.05501	2.0
155.01839	2.3
155.06931	2.0
158.99669	24.1
161.01233	3.3
161.02925	5.5
161.05954	2.6
163.03893	16.3
163.06032	2.4
164.07092	21.2
165.05452	2.5
165.07518	2.2
167.07068	3.8
169.01726	2.5
170.03395	4.1
170.99655	7.7
172.05702	1.9
173.01309	3.0
173.02963	4.6
177.00761	15.7
179.00208	1.9
180.05411	2.8
183.08655	3.2
183.11357	1.9
185.02959	1.8
187.04405	11.8
187.05957	2.1
187.54651	2.0
189.00706	4.5
189.05981	3.4
191.03874	7.7
193.00064	3.0
193.04990	3.5
195.03340	2.0
196.04906	2.0
197.01257	8.2
197.04942	3.5
198.55196	2.0
199.04529	2.7
200.04430	6.7
201.00775	4.2
203.04016	4.8
205.05649	1.8
210.11263	7.6
211.02797	3.8
211.06172	3.9
213.04404	2.5
215.02242	6.2
217.01794	2.2
219.01758	18.0
221.05043	10.5
223.01019	2.5
223.02821	2.5
223.04700	4.7
225.09741	3.3
227.02307	2.5
229.03874	6.4
235.02676	3.5
237.02730	14.5
237.09857	3.3
239.02295	5.4
241.03781	6.1
241.05685	5.2
243.01793	3.2
253.03900	10.8
254.09508	1.9
259.06711	3.8
261.02786	4.5
261.08145	2.2
261.12067	1.9
267.01624	3.3
267.07132	9.0
268.07040	33.8
268.57309	3.5
270.08716	3.1
271.04776	3.2
271.09210	2.8
278.05444	2.5
279.03864	3.3
283.04904	3.6
285.02789	11.9
285.08145	8.9
289.15445	5.5
292.07550	2.2
295.04700	2.1
296.06564	7.5
297.08267	4.8
301.05899	2.1
303.03882	19.0
305.06821	3.1
309.02759	4.1
313.05939	3.0
315.09198	2.9
317.10684	2.0
320.13303	2.6
327.03839	16.9
328.04492	2.3
345.04819	5.4
345.14288	8.7
347.15710	2.3
351.10944	6.1
355.06976	7.5
359.10001	2.8
361.11783	3.0
362.94528	1.9
363.15143	11.3
364.09805	2.3
369.04770	4.6
373.08084	13.3
379.12866	2.2
387.10989	2.2
403.09216	2.4
429.07019	9.0
430.07370	2.7
447.08020	12.4
463.11087	2.9
463.16342	8.2
463.22702	15.7
464.20691	1.8
486.31259	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	463.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24504	0.4
55.51422	0.4
59.59247	0.4
61.41246	0.4
61.64308	0.4
65.03930	1.0
67.85434	0.4
69.03425	1.0
69.67957	1.9
69.68372	0.8
81.03405	1.8
81.07028	0.7
85.02897	1.1
91.05482	9.5
94.44812	0.4
105.07025	1.0
107.08607	0.8
119.04947	22.9
127.03949	0.5
133.06516	0.6
137.05997	3.2
145.02936	0.6
147.04413	100.0
148.04765	0.6
149.06003	0.5
161.06004	2.7
164.97134	0.4
165.05482	5.6
175.07599	0.5
177.05495	1.8
179.07101	0.9
185.05922	0.7
203.07040	1.4
245.08115	1.3
263.09015	0.5
291.08569	2.1
309.09592	2.5
312.44330	0.5
463.15479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1599
Annotation	CHEBI:65664
Peak:m/z	Relative Intensity
51.24504	0.4
55.51422	0.4
59.59247	0.4
61.41246	0.4
61.64308	0.4
65.03930	1.0
67.85434	0.4
69.03425	1.0
69.67957	1.9
69.68372	0.8
81.03405	1.8
81.07028	0.7
85.02897	1.1
91.05482	9.5
94.44812	0.4
105.07025	1.0
107.08607	0.8
119.04947	22.9
127.03949	0.5
133.06516	0.6
137.05997	3.2
145.02936	0.6
147.04413	100.0
148.04765	0.6
149.06003	0.5
161.06004	2.7
164.97134	0.4
165.05482	5.6
175.07599	0.5
177.05495	1.8
179.07101	0.9
185.05922	0.7
203.07040	1.4
245.08115	1.3
263.09015	0.5
291.08569	2.1
309.09592	2.5
312.44330	0.5
463.15479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.05513	0.5
65.03944	0.9
67.05490	1.1
67.28133	0.3
69.03425	0.8
69.07077	0.5
69.74165	1.1
71.04965	0.5
74.35290	0.2
79.05494	6.0
81.03435	2.0
81.07071	1.4
83.04975	1.2
85.02905	1.1
87.00829	0.3
87.39660	0.3
91.05486	13.1
93.07068	1.5
94.04170	0.3
95.04984	0.8
95.08609	2.5
97.02882	0.4
97.06532	1.7
98.21481	0.3
102.80234	0.2
105.04581	0.3
105.07037	6.4
107.08607	3.4
107.40726	0.3
109.02893	0.7
109.06526	3.6
109.10143	0.4
109.41017	0.3
111.08073	0.6
119.04945	25.6
119.08579	0.7
121.06504	0.4
121.10118	0.7
122.03694	0.4
123.08061	1.2
125.09597	0.5
127.03883	0.5
129.06987	0.3
133.10091	0.4
134.10378	0.4
135.08081	0.5
135.11777	0.4
137.05978	0.8
137.09621	11.7
139.11194	8.6
140.10745	0.5
145.10187	0.4
147.04414	100.0
148.04726	0.5
155.10675	12.5
161.05931	0.3
163.07536	0.5
165.09238	0.4
177.16333	0.3
187.07512	0.3
189.09047	0.3
231.10184	1.2
291.08694	0.8
352.19125	0.3
376.86407	0.3
409.31229	0.5
463.18503	0.8
463.32629	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	463.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02152	1.3
51.02378	1.8
53.03942	6.4
54.27579	1.4
55.01865	4.8
55.05268	2.2
55.05515	28.6
57.03440	9.2
57.07070	1.3
58.18544	1.3
65.03938	3.9
67.05510	71.7
68.21883	1.1
69.03431	1.7
69.07074	24.9
71.04989	5.5
73.77343	1.7
79.05499	63.8
79.81732	1.3
81.03427	3.6
81.07062	69.8
83.05003	2.8
83.08624	15.9
85.02895	1.8
85.06551	5.1
91.05487	80.9
93.07047	62.3
95.04974	8.0
95.08613	47.5
97.06535	9.2
97.10178	5.7
98.21547	2.7
103.05476	3.4
103.97218	1.5
105.04542	3.3
105.07040	78.2
107.04972	6.1
107.08595	30.2
109.06525	8.1
109.10157	16.7
111.04463	1.4
111.08092	3.5
115.05472	3.2
116.06242	2.0
116.29902	1.5
117.07024	35.8
117.07850	2.2
119.04948	1.6
119.08588	42.6
121.06523	8.7
121.10162	22.0
123.08099	5.2
123.11720	2.8
125.09637	2.4
128.06238	6.2
129.07013	25.6
130.07805	1.8
131.04922	1.9
131.08574	59.1
133.06494	5.1
133.10147	31.8
135.08058	7.0
135.11685	8.7
137.09631	4.0
137.18053	1.4
141.06992	10.1
142.07758	3.1
143.08580	21.6
145.06494	3.6
145.10135	37.6
147.08067	6.3
147.11703	10.0
149.09634	5.7
149.13277	3.0
151.11180	2.0
154.07768	1.6
155.08591	12.7
157.06511	2.3
157.10152	17.2
159.08083	2.9
159.11723	17.3
161.09630	5.1
161.13306	4.5
163.11183	4.2
167.08615	4.0
168.09351	1.7
169.10107	12.6
171.11691	12.9
173.13249	8.5
175.11200	2.1
177.12773	2.3
181.10150	8.4
183.11708	7.7
185.09615	2.0
185.13240	9.5
187.11218	3.6
187.14830	5.3
189.12830	2.7
195.11726	6.8
195.13690	1.8
197.13232	8.2
199.11227	3.1
199.14854	5.0
201.12730	4.1
201.16447	3.2
203.14447	2.4
209.13297	4.8
210.70955	1.4
211.14830	6.8
213.12752	1.8
213.16481	2.2
215.14265	3.2
217.15941	1.8
219.17484	1.6
221.13277	1.5
223.14861	3.4
225.16428	4.1
227.14423	3.5
227.17851	1.7
231.17479	1.8
233.15411	3.0
233.19020	1.5
235.17032	2.1
241.15865	2.0
243.17473	2.3
245.15424	2.3
247.16985	5.9
255.17459	2.4
256.45511	1.5
257.19131	2.2
259.17020	2.9
261.18579	4.0
269.19116	2.0
273.18616	3.9
307.24124	1.7
325.25278	8.4
335.23730	13.2
343.26346	17.8
350.21454	1.3
353.24750	43.2
361.27615	2.9
371.25809	56.6
389.26883	56.0
399.29144	1.7
417.29941	2.0
427.28555	5.5
442.72443	1.4
445.29517	100.0
446.30466	1.6
463.30606	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	463.3058
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02388	0.9
53.03941	5.9
55.01877	4.4
55.05515	21.2
57.03440	9.3
57.07069	3.5
65.03932	3.7
67.05508	86.8
69.03419	1.7
69.07073	31.6
71.01374	1.3
71.04994	6.6
71.08624	1.0
71.52440	1.2
73.02924	1.2
77.03944	1.5
79.05498	61.6
81.03416	6.4
81.07061	100.0
83.01334	2.0
83.04987	10.6
83.08627	19.0
85.02921	1.5
85.06539	5.0
91.05490	30.8
93.07050	77.7
94.37479	0.8
95.04974	9.8
95.08612	24.2
97.06533	16.1
97.10159	3.9
99.04449	1.5
99.08110	4.3
105.04531	2.7
105.07036	12.3
107.04964	2.7
107.08598	46.9
109.06511	3.5
109.10162	6.2
111.08090	8.7
111.11703	1.0
113.06039	1.0
117.07018	12.8
119.08566	7.0
121.06506	3.5
121.10152	24.4
123.08081	3.3
123.11703	1.4
125.09637	1.4
129.06995	1.1
131.08569	13.0
133.10147	9.5
135.08080	3.6
135.11696	19.9
139.11163	2.0
145.10117	4.5
147.11717	2.6
149.09627	1.3
149.13268	44.1
153.12761	1.7
157.10173	1.1
159.11710	20.7
163.11177	8.0
177.12773	12.0
178.69196	1.0
181.12340	4.4
195.13805	18.6
195.15514	1.4
209.11732	1.4
213.14941	3.6
219.13840	1.8
227.12848	3.5
251.16515	1.5
285.66513	0.9
371.25851	1.2
436.00079	1.0
445.27298	2.1
463.30984	98.2
464.30933	1.1
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	Tupichigenin A
Peak:m/z	Relative Intensity
53.03945	6.7
55.01878	4.6
55.05518	27.4
57.03428	7.5
57.07079	3.1
61.02928	2.6
65.03941	4.0
67.05510	83.0
69.03451	2.5
69.07076	24.1
71.04983	6.3
71.27206	4.0
79.05499	58.5
81.03422	4.8
81.07062	90.3
83.04965	7.8
83.08624	19.0
85.06542	3.8
91.05487	62.1
91.06029	4.2
93.07053	74.7
95.04968	9.1
95.08612	37.7
97.02937	2.3
97.06544	11.3
97.10185	4.4
99.08094	3.6
102.68168	2.1
105.07040	52.2
107.04962	6.1
107.08611	33.2
109.06533	9.4
109.10170	12.9
111.08111	6.5
117.07040	26.1
119.08577	31.3
121.06527	7.0
121.10147	25.8
123.08054	3.4
123.11749	3.0
125.09626	3.6
128.06177	2.3
129.07018	19.0
131.08592	43.0
133.06485	3.4
133.10146	27.5
135.08128	4.8
135.09035	2.0
135.11719	12.1
137.09653	3.0
139.11171	2.6
141.06993	8.0
143.08597	20.2
145.10156	21.4
147.11711	7.1
149.09636	4.7
149.13275	18.0
151.11209	4.2
155.08635	6.7
157.10097	12.0
159.08115	2.2
159.11714	16.4
161.09731	2.8
167.08580	3.2
169.08914	1.9
169.10152	12.0
171.11763	7.8
173.13263	4.1
175.11171	3.5
175.14861	2.2
177.12798	6.3
181.10193	5.9
183.11760	5.1
185.13316	4.7
188.68027	2.2
191.71181	2.1
195.11926	4.5
195.13890	13.3
196.42825	2.1
197.13306	6.8
199.14850	2.5
201.12726	2.3
209.13345	3.3
211.14908	3.9
217.15842	3.0
223.14890	3.9
231.13828	2.7
231.17426	2.5
233.15500	3.3
247.16939	3.5
255.17517	2.7
258.82367	2.1
259.16943	3.2
325.25433	4.4
335.23840	8.0
343.26389	7.0
353.24728	29.7
371.25824	30.7
389.26920	36.4
427.28491	3.1
445.29480	100.0
463.30630	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3058
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03946	5.3
55.01871	3.0
55.05267	1.7
55.05516	18.4
57.03439	5.8
57.07079	2.7
65.03941	3.1
67.05510	77.5
69.06733	1.9
69.07075	24.4
71.05003	3.8
72.08099	1.2
79.05498	49.3
81.03434	9.9
81.07061	93.0
83.04993	8.3
83.08620	19.0
85.06541	5.1
91.05484	35.4
91.06022	1.9
93.07047	63.0
95.04982	8.4
95.08619	24.4
95.09195	2.3
97.06554	12.5
97.10178	2.5
99.08103	3.3
105.04531	2.0
105.07054	15.3
105.07713	1.9
107.04960	1.4
107.08603	34.8
109.06541	4.0
109.10162	6.5
111.08103	8.3
117.07032	12.3
119.08585	5.9
121.06542	3.4
121.10155	22.2
123.08108	1.3
123.11711	4.3
129.07033	2.9
131.08569	15.0
133.10138	19.0
135.08064	2.9
135.11688	12.8
143.08643	1.5
145.10144	2.5
147.11765	1.8
149.09669	2.6
149.13271	38.8
151.11205	3.6
159.11708	16.0
163.11258	1.3
177.12796	7.5
193.12302	2.0
195.13823	21.7
213.14888	2.9
253.14412	4.0
343.26361	1.5
353.24902	2.4
371.25894	3.3
384.41879	1.5
389.27100	2.3
406.52103	1.1
409.72791	1.5
445.29666	6.6
463.30673	100.0
464.30933	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
55.01862	6.2
55.05522	26.4
57.03434	9.6
57.07072	4.0
64.96425	3.6
67.05506	76.7
69.07069	27.2
71.04988	3.1
71.52384	4.1
79.05067	5.5
79.05496	60.7
81.03402	3.8
81.07061	74.6
83.04960	3.9
83.08619	14.7
85.06536	6.9
91.05486	81.4
93.07047	66.6
95.04968	10.4
95.08612	47.7
97.06524	7.6
97.10150	7.1
102.16692	3.1
103.05450	4.3
105.07044	72.1
107.04932	7.7
107.08604	39.2
109.06522	8.8
109.10183	18.1
111.08038	3.8
115.05465	8.0
117.07027	38.0
119.08585	54.5
119.22112	3.1
121.06528	6.8
121.10164	20.7
123.08037	5.3
123.11752	4.4
128.06300	4.8
129.07016	23.7
130.07788	4.8
131.08569	55.3
133.06494	5.1
133.10133	31.5
135.08020	7.5
135.11697	13.9
137.09576	5.2
141.06953	7.2
143.08577	22.2
145.10136	35.2
147.08011	6.5
147.11681	12.5
149.09618	8.5
149.13335	6.4
151.11209	3.8
155.08572	11.2
157.10115	20.2
159.04237	4.2
159.08095	3.7
159.11681	21.8
161.13268	5.4
167.08562	7.1
169.10179	15.3
171.11725	12.7
173.13228	5.6
180.38861	3.5
181.10118	9.1
182.10767	3.2
183.11658	8.3
185.13271	6.4
187.11165	6.5
187.14815	7.3
195.11658	7.4
197.13268	7.7
209.13208	5.2
211.14859	5.1
213.12663	4.8
215.14369	5.0
217.15958	3.3
255.17496	4.6
259.16919	5.6
261.18594	3.2
325.25223	10.1
335.23724	10.4
343.26321	12.5
343.60129	3.9
353.24890	40.2
371.25842	61.1
389.26904	59.1
427.28561	5.7
445.29489	100.0
463.30704	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3785
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.01872	5.4
55.05514	21.8
57.07079	33.0
67.05505	22.4
69.07069	56.9
69.45198	9.2
69.45598	27.3
71.08640	29.3
78.73836	3.6
79.05489	11.6
79.24617	3.7
81.07062	46.8
83.04977	9.0
83.08624	29.8
85.10162	18.2
91.05479	14.5
93.07056	23.3
95.08070	5.8
95.08617	59.8
97.10181	23.1
105.07029	25.0
107.08604	38.8
109.06487	7.8
109.10162	32.5
111.11716	17.4
112.48575	3.6
117.07012	7.3
119.08569	27.1
121.06497	7.4
121.10148	27.4
123.08059	7.8
123.11699	15.9
125.06076	8.7
127.07581	6.4
131.08575	14.7
133.10144	20.3
135.08003	9.3
135.11723	15.9
137.06030	9.3
137.09572	4.3
137.13278	5.9
139.07536	25.7
140.45010	4.3
143.08595	6.2
144.09473	3.8
145.10168	23.2
147.11678	17.5
149.13292	10.3
151.07524	5.3
155.07079	6.2
157.10181	8.5
159.11700	22.1
161.13277	8.6
163.14879	6.2
165.09108	9.2
167.07060	7.9
167.10721	4.9
171.11690	8.2
173.13266	7.7
175.14822	7.6
177.09152	11.8
179.06992	5.5
185.13231	7.7
187.14845	10.0
189.16411	5.7
189.98106	4.5
191.10597	10.3
193.08719	6.1
193.12158	5.1
195.10197	7.5
205.12323	6.1
233.15382	6.6
245.15302	5.4
246.04652	4.0
261.25742	4.2
263.16495	4.5
269.22806	4.9
271.69858	4.5
299.76596	4.0
314.17209	4.0
341.32013	6.0
343.33582	14.7
385.34790	11.9
403.35715	7.0
417.36502	4.9
427.35703	38.0
445.36771	100.0
463.26984	5.5
463.37973	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	463.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01866	1.1
55.05515	13.9
57.07080	31.4
64.26857	0.8
67.05512	5.9
69.03402	1.2
69.07073	25.3
71.08636	25.0
79.05502	4.7
79.64689	0.9
81.06595	1.1
81.07062	20.8
83.04959	1.3
83.08630	15.5
83.31794	0.9
85.10191	13.7
85.90025	1.0
87.38503	0.7
88.49488	0.8
91.05479	3.4
93.07050	6.2
95.04993	1.4
95.08618	15.1
97.02888	1.7
97.06519	2.8
97.10184	10.6
99.04462	3.5
99.11724	1.3
105.07032	5.3
107.04945	1.3
107.08592	6.1
109.06525	13.2
109.10164	7.4
111.08107	2.3
111.11707	5.0
119.08558	4.8
120.67990	0.8
121.06503	1.9
121.10164	4.4
123.08074	10.7
123.11700	2.3
125.05998	14.9
125.09614	1.6
125.13253	1.5
127.07565	41.3
131.08559	1.9
133.06496	1.1
133.10135	3.4
135.08055	1.9
135.11729	1.7
137.05975	4.8
137.09642	3.7
137.13268	1.2
139.07547	100.0
140.07951	0.8
145.10149	1.5
147.11717	2.8
149.05988	4.0
149.09610	2.3
149.13252	1.2
151.07588	8.5
151.11136	2.0
153.09087	1.7
159.08015	0.9
159.11676	1.4
161.09590	0.9
161.13232	2.4
163.07521	2.3
163.11162	1.3
163.14897	1.1
165.09138	3.7
167.07092	6.2
169.08621	2.4
173.13228	1.2
175.11197	2.2
175.14903	1.0
177.09117	12.7
177.12798	0.8
179.07018	2.0
179.10718	1.8
189.12788	1.1
191.10658	1.9
191.14487	1.1
193.12259	1.6
195.10210	1.0
203.14214	1.7
207.13879	1.1
219.13875	0.9
223.13167	1.0
249.14880	1.4
275.20129	1.1
301.28909	3.8
317.24808	0.8
319.29910	10.3
321.09161	0.8
347.33151	15.5
373.30939	5.1
375.36581	0.8
385.34705	1.2
389.37842	1.1
399.36411	2.6
403.35437	2.9
417.37296	15.0
427.35782	3.3
445.36832	58.2
463.37820	60.9
464.38434	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3785
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03933	1.5
55.01875	2.5
55.05512	14.3
57.07081	32.6
61.34501	1.1
67.05508	6.7
69.06733	2.1
69.07076	32.1
69.15834	12.1
71.08638	28.0
76.05795	1.3
79.05502	6.4
81.07068	19.2
83.01368	1.5
83.08625	17.8
85.10186	14.8
91.05474	3.3
93.07065	7.5
95.04991	1.9
95.08614	19.4
97.02915	1.9
97.06551	4.4
97.10177	11.8
98.20713	2.1
99.04448	4.4
99.11713	1.7
105.07026	8.5
107.04953	1.6
107.08595	7.9
109.06532	15.8
109.10177	11.5
111.08115	2.5
111.11713	6.8
119.08614	6.1
121.10162	4.4
123.08071	14.8
123.11709	2.8
125.06007	18.1
125.09607	1.5
125.13250	1.9
126.60284	1.1
127.07574	39.4
127.35979	1.2
131.08569	2.7
133.10182	3.9
135.08093	4.5
135.11673	1.5
137.06001	8.4
137.09648	3.5
137.13284	1.6
139.07549	100.0
145.10130	1.8
147.08052	1.4
147.11717	3.1
149.05986	5.5
149.09634	2.7
149.13203	1.2
151.07549	8.5
151.11172	2.5
161.09633	1.1
161.13301	2.4
163.07582	2.3
163.11249	1.6
165.09146	4.7
167.07069	5.1
169.42171	1.2
171.11624	2.3
175.11143	2.4
175.14851	1.5
177.09116	15.7
179.10609	2.2
189.12753	1.7
193.12376	2.3
203.14334	1.8
207.13795	2.6
221.15393	1.8
248.85861	1.3
249.14949	2.1
263.20081	1.5
264.04779	1.2
291.23410	1.8
301.28979	5.3
319.22729	1.3
319.29977	12.2
347.33136	16.9
373.31189	3.2
399.36536	2.9
403.35651	5.5
417.37268	19.8
427.35626	4.9
445.36813	75.5
463.37857	71.7
463.44650	2.6
463.81702	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.05512	29.6
57.07079	33.3
59.10725	2.6
60.88207	2.6
67.05508	10.3
69.07072	39.2
71.05000	48.4
71.08636	30.7
71.12892	2.3
79.05479	5.1
81.07062	31.1
83.08630	30.1
85.10194	18.5
91.05486	5.1
93.07044	4.9
95.08620	25.9
96.29007	2.4
97.06516	3.3
97.10171	29.0
98.20743	6.0
99.04457	16.8
99.11721	3.1
107.04931	2.3
109.06542	8.3
109.10167	24.1
111.04434	2.8
111.11729	21.3
113.13344	2.4
119.08608	4.4
121.10136	3.6
123.11725	11.1
125.05999	100.0
125.13286	5.5
127.03931	57.6
133.10147	2.7
137.05992	45.2
137.06969	4.0
137.13257	6.0
149.05963	4.4
151.07535	3.3
157.10028	3.0
161.09621	4.5
161.13219	3.1
165.16499	2.9
167.07056	44.4
171.11653	3.6
175.11195	4.0
177.12859	2.7
179.06998	5.4
189.12900	3.3
209.96307	2.3
213.12671	4.7
219.13782	2.7
275.81293	2.9
317.04807	2.5
319.33774	4.9
374.53903	2.5
385.34756	5.2
386.71893	2.9
399.36282	5.4
403.35730	30.0
445.37299	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	463.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02605	2.1
53.03939	2.7
55.05508	26.7
57.07079	41.9
66.18849	2.6
67.05503	12.9
69.07073	51.1
71.04998	60.9
71.08635	36.5
71.29234	2.7
71.29572	4.7
79.05496	5.2
81.07062	40.1
83.05000	4.4
83.08623	39.1
85.10174	19.5
93.07039	5.7
95.08628	33.1
97.06560	5.9
97.10169	28.9
99.04459	19.6
104.38882	2.4
105.07011	4.3
105.11370	2.5
107.04983	2.9
107.08609	5.9
109.06527	7.1
109.10166	24.9
111.11746	28.0
113.13282	2.7
119.08610	6.3
121.10168	2.7
123.11718	17.4
125.06001	100.0
125.13274	13.9
127.03933	62.5
127.04833	4.7
133.10162	4.3
135.11716	2.7
137.05023	4.6
137.05994	52.2
137.13271	8.4
139.07562	2.4
142.07800	2.6
147.11703	5.4
149.05936	5.3
151.07558	3.6
151.14841	4.7
153.16393	2.7
156.09412	2.8
157.10146	2.8
161.09657	6.3
161.13297	4.8
163.14703	2.6
165.16443	3.3
167.07051	47.0
171.11711	5.2
175.11189	4.9
179.07027	3.5
189.12773	3.3
213.12828	5.7
219.13812	3.7
221.42342	2.3
375.12949	2.4
399.35873	3.8
403.35742	38.3
445.36609	5.2
463.38184	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01871	2.3
55.05502	0.5
57.03436	4.9
61.01144	0.5
61.02935	7.7
65.44376	0.5
67.05519	0.8
69.03434	15.5
69.44698	3.7
70.06595	1.3
71.05003	2.9
71.05334	0.6
71.09761	0.4
73.02929	3.6
79.05500	0.7
81.03427	6.8
83.75338	0.5
84.04501	0.7
84.08104	0.6
85.02912	100.0
86.09724	0.7
87.04475	1.9
91.03961	5.1
91.05459	0.7
95.05002	0.5
97.02900	23.7
99.04452	3.4
101.02415	0.8
103.03960	0.8
105.03416	0.8
105.07037	5.4
109.02891	8.5
115.03926	1.4
116.07121	0.7
117.26085	0.5
118.06528	0.5
126.83044	0.5
127.03926	24.1
129.06985	0.8
129.49208	0.5
135.04440	0.8
137.06020	0.6
145.04970	47.0
147.04416	1.7
147.08098	1.2
148.04770	1.0
150.09189	1.9
156.50240	0.5
159.08145	0.6
163.06029	22.1
163.07422	1.2
164.07106	2.5
164.10736	0.8
171.08139	0.5
177.27353	0.6
185.09586	0.6
189.09122	0.6
191.09445	1.1
200.59149	0.5
201.09171	0.9
210.11264	6.4
211.11600	4.2
231.10251	1.7
243.08798	1.2
244.09653	0.6
249.11223	1.1
249.14871	0.8
267.12344	0.7
267.73849	0.5
273.12454	2.2
285.13351	3.9
289.09317	1.0
303.04916	2.8
305.14871	0.9
321.12808	1.9
325.11292	2.5
370.67239	0.6
378.15387	1.2
379.16241	0.7
464.18442	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01866	0.8
56.05037	6.9
57.03438	3.3
62.53206	0.8
63.50300	0.7
69.03429	16.6
70.06591	2.8
70.10493	2.0
70.64334	0.7
71.04981	1.0
72.08158	2.2
74.06081	100.0
81.03419	2.8
83.04995	3.4
84.04501	4.9
85.02905	10.5
85.03374	0.9
86.06068	1.8
86.09725	1.0
93.07068	0.8
97.02894	3.3
98.06054	13.0
99.04459	1.4
102.05541	7.5
107.04966	0.9
109.02886	5.9
111.04453	2.7
114.05571	1.4
116.07095	47.0
120.06582	26.7
121.06485	6.8
123.08080	2.0
127.03915	3.6
129.05516	5.9
137.06004	1.3
144.06569	59.7
145.04993	3.4
147.06529	22.1
153.07855	1.0
162.07611	13.5
162.08925	0.9
163.03941	1.0
164.07077	10.9
165.07343	0.8
182.08136	1.0
187.07565	1.5
205.08553	0.9
210.07484	1.5
222.70367	0.8
228.08681	1.6
240.08687	1.1
246.09732	1.6
252.08748	1.1
264.10852	1.6
265.10861	1.1
270.09702	15.2
288.10773	17.6
289.15506	2.2
301.13101	1.1
304.73245	0.8
306.11847	15.2
428.19086	4.7
446.20157	10.7
464.20059	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	465.1031
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	0.6
55.01862	0.7
55.82517	0.2
57.03447	0.9
61.02938	1.6
66.37015	0.2
67.71413	0.2
68.99783	0.7
69.03091	0.3
69.03436	3.4
69.61805	0.9
71.04993	0.3
73.02922	0.3
81.03426	1.9
85.02913	9.9
87.04452	0.5
91.03946	0.7
93.03380	0.3
95.04950	0.2
97.02898	3.5
99.04471	0.4
102.75407	0.2
109.02866	1.2
111.00802	1.1
119.45436	0.2
121.02911	1.0
123.04446	0.3
124.24934	0.1
127.03942	1.9
135.04478	0.3
137.01378	0.3
137.02356	3.7
137.03419	0.2
145.04959	1.5
145.06482	0.3
149.02319	0.6
153.01849	4.8
155.04942	0.4
157.06468	0.2
161.06023	0.4
163.03891	0.4
165.01859	2.1
166.02698	0.4
173.06030	0.4
183.02916	0.8
183.04344	0.2
187.03922	0.4
191.03391	0.2
195.02916	0.2
199.24763	0.2
201.05501	1.8
213.05383	0.3
215.03568	0.2
219.06563	0.3
228.04283	0.3
229.01457	0.2
229.04988	5.1
247.06024	0.6
257.04446	3.2
274.04855	0.8
275.05585	0.2
279.34293	0.2
285.04080	1.3
303.05011	100.0
304.05396	0.9
315.05002	0.4
345.06021	0.2
465.37415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03931	0.5
55.01863	0.8
57.03427	0.9
61.02916	1.4
62.47924	0.3
68.99803	0.8
69.03436	2.7
70.64269	0.9
70.64641	0.4
71.04976	0.5
73.02910	0.6
81.03403	1.4
85.02911	9.1
87.04465	0.4
91.03957	0.7
95.04966	0.3
97.02900	3.2
109.02873	1.3
110.13811	0.3
111.00807	1.1
121.02867	0.9
123.04410	0.3
124.45459	0.3
127.03955	2.0
135.04454	0.4
137.02336	3.9
145.04970	1.5
149.02367	0.4
153.01825	4.4
163.03918	0.9
165.01881	2.1
166.02605	0.4
173.05956	0.5
183.02844	0.9
201.05453	2.1
229.04953	4.1
247.05981	0.6
247.23535	0.4
257.04410	2.3
274.04681	0.6
285.03931	1.6
303.04996	100.0
304.05353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.137
Annotation	Keyakinol
Peak:m/z	Relative Intensity
67.05492	0.5
69.03422	1.0
71.05019	0.5
71.42101	0.7
79.05464	0.8
81.03417	0.7
81.07042	1.2
85.02899	1.7
85.06504	0.5
91.05478	0.6
91.57099	0.4
95.08595	0.6
105.07040	0.9
107.08587	0.6
108.52665	0.4
121.10157	0.8
123.11691	0.7
125.09586	0.4
137.06004	0.8
145.04889	0.4
147.04413	0.7
153.01839	0.4
153.85378	0.4
161.09590	0.5
165.05531	0.7
185.04256	0.5
199.14883	0.5
201.05324	1.2
216.07573	10.9
217.08357	8.6
227.05281	1.1
265.49506	0.6
271.04266	2.9
303.04996	7.2
303.19696	0.7
379.13528	3.9
403.13702	0.8
421.08777	0.7
421.14700	30.5
465.13708	100.0
466.13931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.7
53.78164	1.7
55.01857	3.9
55.05510	2.9
57.03422	2.1
66.78071	1.6
67.05494	6.8
69.03435	10.2
69.07057	2.9
69.29202	4.6
69.29606	8.7
71.71377	1.5
78.30523	1.7
79.05485	13.3
81.03405	11.1
81.07063	10.8
85.02912	11.5
91.05467	20.6
93.06496	2.5
93.07047	44.8
95.04949	3.6
95.08601	8.7
97.02892	4.9
99.04449	3.1
103.05470	3.0
105.07018	11.4
107.04981	3.0
107.08611	9.4
107.09210	1.7
109.02864	5.3
109.06525	5.5
109.10171	9.0
115.05479	2.7
119.04964	2.5
119.08573	9.2
121.06510	32.1
121.10152	32.4
123.04392	1.8
123.11707	8.2
125.09554	2.6
127.03925	6.1
131.08578	4.0
133.06483	5.6
133.10066	2.7
137.05016	3.1
137.05980	31.6
137.09610	2.8
143.08504	3.1
145.04942	2.9
145.06448	2.3
145.10049	1.8
147.04404	3.4
147.08102	2.5
147.11652	2.6
149.05989	100.0
149.09631	16.5
151.07512	3.1
159.08015	2.6
160.05179	2.2
161.05983	14.4
161.09618	5.3
163.03879	2.5
163.07597	4.1
165.05492	8.5
165.12733	2.9
167.07039	26.8
167.10657	10.3
171.08153	2.8
173.05946	7.7
174.06728	2.8
175.07538	6.8
177.05481	3.9
179.07043	2.4
181.05005	1.9
183.13768	5.2
185.05983	3.6
185.09715	2.0
187.07516	9.1
189.05470	2.1
189.09096	34.2
191.06982	5.7
199.07521	2.6
201.09114	8.2
201.14838	2.0
203.07010	5.2
203.10651	5.0
205.08594	8.4
207.10159	19.8
215.06932	4.6
215.10512	1.9
221.08247	2.1
227.07002	1.9
229.08554	6.7
229.12254	7.1
231.10271	3.0
239.14386	3.5
245.08191	3.0
247.09651	2.6
255.13968	1.8
257.07962	3.1
257.15460	19.7
263.09167	2.7
263.14011	1.9
267.13852	4.6
275.16306	3.2
285.14874	31.9
296.89734	1.6
297.10983	2.9
303.04916	27.2
303.15942	42.2
315.12265	2.5
327.15857	3.6
329.28418	1.9
336.38797	1.7
368.89114	1.7
369.17096	2.9
393.17145	4.0
411.18298	9.2
429.18921	6.2
447.20273	12.1
465.21094	2.3
475.37790	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2334
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
51.31132	0.2
53.03944	0.7
55.01862	0.3
55.05499	0.7
55.87050	0.2
57.03442	1.9
59.04993	0.3
59.90825	0.2
61.02653	0.4
61.02929	4.6
62.54560	0.3
63.10696	0.2
65.03941	0.3
67.05502	1.0
68.99781	0.9
69.03434	6.2
69.07069	0.5
69.27014	0.4
69.27417	1.8
70.06589	0.2
71.04987	0.6
73.02930	1.2
79.05503	1.8
81.03412	2.5
81.07056	1.9
83.04964	0.5
85.02910	11.6
87.04473	2.5
89.03925	0.5
89.38259	0.2
91.03963	2.5
91.05476	2.6
93.03386	0.4
93.07049	7.8
95.04961	1.2
95.08608	1.5
97.02898	7.1
99.04461	1.0
105.04508	0.4
105.07050	1.5
107.07881	0.5
107.08601	9.8
109.02892	1.5
109.06497	0.6
109.10168	0.6
111.00790	0.9
115.03941	3.6
117.03372	0.7
117.07010	0.6
119.08591	0.9
120.08102	0.3
121.02856	0.7
121.06522	0.3
121.10168	0.9
122.03589	0.3
123.04424	0.6
123.08032	0.3
123.11745	0.3
127.03940	2.4
129.06952	0.3
131.08568	0.6
133.04005	0.5
133.04970	4.3
133.06511	0.3
133.10143	0.7
134.08099	0.3
135.04433	2.4
135.11697	7.9
137.02350	3.1
137.05988	3.8
143.08565	0.5
145.02858	1.5
145.04970	1.8
145.05969	0.2
145.06508	0.3
145.10101	0.6
147.04385	0.8
147.11674	0.6
149.02312	0.6
149.13219	0.3
151.03926	0.2
151.07628	0.2
153.01845	4.8
153.12796	1.2
157.10088	0.5
159.11717	0.4
163.03923	11.2
163.07567	0.7
165.01842	2.5
166.02646	0.3
171.11656	0.5
173.06033	0.4
175.11176	0.4
177.12718	0.7
181.04945	0.4
183.02927	0.9
201.05476	1.9
219.06419	0.3
229.04939	5.0
229.07036	0.3
247.06017	0.8
249.14851	0.4
257.04483	3.2
259.08188	0.3
267.15887	0.4
274.04700	0.6
275.05374	0.4
285.03970	1.4
295.10196	0.3
303.04999	100.0
304.05423	1.2
307.08093	0.5
324.77301	0.3
325.09167	0.4
465.19040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12651	0.6
55.01873	7.0
55.05513	18.7
57.03437	8.7
57.07080	8.5
61.43469	0.6
67.05505	8.1
69.07069	22.2
69.55799	4.2
71.08628	4.8
73.02923	5.1
73.87847	0.6
79.05492	5.0
81.07057	7.6
83.04993	0.6
83.08619	17.3
85.10159	1.8
91.05469	1.3
93.07048	6.4
95.08607	6.4
97.06553	3.2
97.10169	13.1
98.98470	54.7
107.08582	2.3
109.10142	2.6
111.08073	1.2
111.11736	3.6
121.10131	5.0
123.11693	1.3
125.09695	0.7
125.13248	0.9
129.05478	2.6
131.08589	0.7
135.11650	4.0
136.99994	3.5
137.13261	1.0
139.11200	0.8
140.01030	1.0
145.10251	0.7
149.13298	1.3
155.01042	49.1
182.16653	0.6
206.95456	0.5
211.03613	1.0
219.20995	1.5
227.19987	1.1
229.04649	3.0
237.22105	9.0
266.58862	0.7
290.77066	0.8
303.05066	2.0
311.25803	100.0
391.22375	0.9
447.19229	1.3
447.25073	17.5
457.51782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01869	2.4
55.05510	7.0
57.03426	1.0
59.05006	1.3
61.02914	0.9
67.05518	6.4
68.99787	1.0
69.03432	5.3
69.07066	2.5
69.32559	2.0
69.32973	5.8
70.81145	0.8
71.04989	3.3
79.05484	2.6
81.03422	4.8
81.07059	32.2
83.08615	8.4
85.02909	11.6
85.06555	1.7
87.00823	5.8
90.48215	0.8
91.05482	3.3
93.07039	3.8
95.08609	6.2
97.02901	5.0
99.04404	2.2
105.01850	4.2
105.07027	12.4
107.08584	5.9
109.02882	5.5
109.06483	1.5
119.08571	3.9
121.06509	1.3
121.10145	15.0
123.11707	100.0
127.03923	10.2
137.13261	8.3
145.04955	2.1
147.11694	36.1
149.05984	4.4
150.06296	2.4
159.02914	2.0
163.11148	1.1
165.12753	46.6
167.07013	1.4
183.13815	60.4
189.09192	1.1
201.14867	38.5
201.60321	0.9
231.05066	1.4
295.40521	1.1
304.05405	1.1
304.16217	2.1
312.41318	1.0
318.01968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96814	1.0
53.03942	2.1
55.01867	1.6
55.05514	6.6
55.92078	0.9
57.03437	2.3
61.49469	0.8
67.05521	6.5
69.03440	6.4
69.07067	2.9
69.45023	1.6
69.45422	5.7
71.04993	3.4
79.05489	2.8
81.03418	6.6
81.06591	1.9
81.07063	30.8
83.08618	6.6
85.02909	12.8
85.06554	1.2
87.00834	5.4
90.58602	0.9
91.05487	3.6
93.07054	5.7
95.08622	8.1
97.02902	4.9
99.04461	2.2
105.01874	2.9
105.07040	14.6
107.08609	4.5
109.02877	6.0
109.06506	2.2
111.73616	0.9
119.08548	2.6
121.06544	1.3
121.10149	16.6
122.06860	2.1
122.10491	1.3
123.11716	100.0
127.03924	10.1
137.13266	5.8
145.04956	3.1
147.11696	41.4
149.05972	6.7
150.06349	3.2
154.86943	0.9
159.02876	1.9
165.12772	52.5
167.07045	1.6
183.13826	61.0
189.09061	1.2
196.63731	0.8
201.14879	42.8
213.03931	1.4
220.71263	1.0
226.65144	1.0
230.60063	1.0
231.05142	1.1
258.15729	1.1
285.15067	1.1
286.15134	1.9
304.05359	1.4
304.16318	2.3
362.76086	1.2
423.47018	1.0
448.20682	1.1
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
51.17950	0.4
52.03147	0.4
53.03939	1.2
55.01868	0.5
55.05507	1.1
55.32690	0.4
57.03432	4.5
57.07079	2.0
59.04995	1.5
61.02930	0.6
65.03957	0.5
67.05503	4.0
69.03429	18.0
69.07066	3.7
71.01350	0.7
73.02922	0.6
75.04470	0.4
79.05490	7.7
79.05929	0.8
81.03406	1.1
81.07054	100.0
82.07390	0.6
85.02907	14.8
87.04469	14.1
91.05446	0.4
93.07045	1.0
95.04971	0.5
95.08604	19.9
97.02892	17.3
99.04464	1.1
99.08078	0.5
103.03902	0.5
105.07001	0.5
107.08553	0.5
109.02882	0.6
109.10166	1.3
111.04456	0.6
115.03928	27.2
123.11752	0.8
127.03902	2.5
133.04962	33.8
135.11691	0.6
137.13252	24.4
145.04956	3.5
150.07628	4.0
163.06023	1.4
169.04915	0.7
173.15355	0.5
187.06073	0.6
189.53059	0.4
193.04964	0.4
210.21704	0.4
220.09065	0.5
241.07123	1.3
259.08197	3.0
277.09238	1.0
295.10248	3.4
355.54541	0.4
422.93179	0.5
451.99207	0.4
466.25464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96963	0.8
53.03946	1.6
55.01878	1.3
55.05516	4.4
57.03436	6.0
57.07055	1.1
61.02913	2.9
62.00514	0.9
65.03919	1.2
65.38456	0.8
67.05508	20.9
69.03432	6.7
69.06802	0.7
69.07079	7.6
69.25548	0.9
71.04977	2.4
71.52408	1.1
72.08153	0.8
73.02898	2.1
73.58871	0.8
79.05506	12.1
81.03419	4.0
81.07060	48.3
83.04957	2.3
83.08614	6.3
85.02909	8.0
85.06544	2.1
87.00829	1.7
87.04450	2.1
91.03922	1.0
91.05482	6.9
93.06491	1.5
93.07046	21.7
95.04961	3.7
95.08613	11.3
97.02885	4.8
97.06545	4.5
97.10168	1.2
99.04434	1.1
99.08090	2.1
105.01873	1.0
105.07037	4.5
107.08598	13.3
109.02874	1.5
109.06529	1.4
109.10150	4.3
111.08057	2.7
115.03963	2.1
117.07021	2.8
119.08575	2.5
120.08094	0.9
121.10135	8.2
123.08108	0.9
123.11730	2.0
127.03920	4.1
131.08559	4.3
133.04985	1.7
133.10181	4.4
135.11717	4.1
135.68130	0.9
137.05959	1.5
137.13289	4.6
145.02817	1.0
145.04964	1.4
145.10126	1.7
147.04375	0.9
149.13269	15.6
159.11723	8.0
163.03926	1.0
177.05487	1.2
177.12717	2.8
179.07037	0.8
180.10217	1.8
180.58444	0.9
183.17523	1.1
195.13847	5.0
201.16382	2.9
206.08183	1.4
208.09738	5.7
210.11295	2.3
219.17593	0.9
222.11252	1.0
269.17493	100.0
303.05109	2.4
304.05344	5.0
307.16531	3.1
321.18124	1.2
335.16064	1.2
349.17679	0.9
415.10330	1.3
431.22903	1.7
466.25415	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	467.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.7
69.24567	4.4
94.42453	0.5
98.97584	4.5
107.08064	0.5
116.98593	2.2
177.00941	0.5
198.97939	0.9
216.98941	5.3
219.02046	0.6
222.97995	1.6
232.96364	0.5
235.00002	6.4
236.00061	0.7
240.98946	13.2
241.99054	0.8
253.01152	0.9
259.00003	39.0
259.99969	2.2
261.00256	0.6
261.02856	0.6
263.03238	0.5
264.98782	4.2
273.98822	0.9
274.97620	1.6
277.01031	19.6
278.01144	1.1
279.00836	0.7
282.99997	100.0
284.00095	4.4
292.98410	0.7
298.97897	0.8
301.01059	96.8
302.01251	4.6
303.01321	1.1
316.98911	0.5
319.02017	3.9
324.02676	1.7
343.02676	0.7
358.99774	0.6
364.99289	1.3
401.01227	5.4
406.99863	6.5
425.01166	48.6
426.01440	3.6
443.02237	98.1
444.02420	7.9
445.02573	0.7
466.03769	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05507	1.8
57.03423	1.0
66.76308	0.6
67.05508	3.0
69.03441	4.2
69.07058	1.6
69.57735	4.0
79.05482	2.6
81.03410	1.9
81.07064	9.7
82.07376	2.5
85.02905	5.4
86.67754	0.5
87.00867	1.4
87.04472	0.9
91.05484	2.5
93.07030	3.8
94.71563	0.7
95.04993	1.5
95.08598	4.8
96.08957	0.9
97.02926	3.2
97.06525	1.4
98.20793	1.3
99.04487	1.0
105.01873	1.1
105.07037	5.0
107.04976	0.9
107.08606	4.1
109.02874	2.8
109.06483	0.9
109.10168	1.9
115.03939	1.0
117.07018	0.9
119.08580	2.8
121.10156	2.2
123.11739	0.8
127.03942	3.0
131.08580	2.6
133.04970	1.5
133.10141	2.6
134.05338	1.1
135.11716	1.1
137.06000	1.5
137.13266	1.3
143.08604	1.1
145.04968	1.2
145.10156	5.0
146.96628	0.7
147.11684	1.9
149.13268	1.2
153.05479	0.7
157.10124	1.0
159.11696	3.9
161.13316	1.2
173.13307	1.3
199.14728	0.8
200.62190	0.6
201.16484	4.6
203.05325	4.5
203.17953	1.9
205.16055	0.7
219.13954	0.6
219.17520	1.7
232.28618	0.7
243.13531	2.2
269.17465	1.1
270.17877	2.2
287.12384	0.7
305.13617	16.8
305.17084	1.1
467.18900	100.0
468.19086	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	467.1891
Annotation	Trp Asp Phe
Peak:m/z	Relative Intensity
56.80355	0.4
64.88805	0.4
69.41236	3.1
81.03388	0.6
81.07033	0.7
85.02904	0.6
105.07034	0.4
107.08556	0.4
119.08614	0.5
122.55925	0.4
145.10115	0.5
201.12759	0.6
201.16409	0.7
203.05283	5.9
215.78845	0.4
220.47469	0.4
243.13605	1.8
245.11537	0.4
276.61090	0.4
287.12558	1.8
305.13589	23.8
467.18903	100.0
468.19269	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1914
Annotation	Plagiochilin D
Peak:m/z	Relative Intensity
65.03937	0.7
69.03419	0.8
69.08470	0.2
69.24439	2.4
79.05471	0.5
81.03423	2.1
84.59247	0.2
85.02902	1.1
91.05486	6.7
95.08601	0.5
97.02877	0.5
99.04475	0.4
105.07021	0.5
107.29095	0.2
109.02879	1.0
119.04946	19.3
127.03946	0.4
147.04414	100.0
148.04733	0.8
163.03987	0.4
165.05478	4.1
187.27948	0.2
190.08264	0.3
200.36557	0.2
291.08615	3.3
309.09650	5.5
323.25970	0.3
373.63580	0.3
416.07452	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13093	0.3
55.05499	0.9
57.03430	0.5
60.69925	0.3
61.99216	0.4
63.20786	0.3
65.03932	1.1
65.28051	0.3
67.05501	1.8
69.03420	1.4
69.07063	0.8
70.66655	0.9
71.04994	0.8
79.05483	1.0
81.03412	2.8
81.07057	7.7
82.62007	0.3
85.02915	1.8
85.06544	0.6
89.75121	0.3
91.05482	6.9
93.07040	0.5
95.04953	0.4
95.08616	2.5
97.02866	0.8
97.10178	1.1
99.04463	0.4
105.07035	1.1
107.08572	0.8
109.02883	1.6
109.10084	0.4
119.04945	19.7
123.08065	0.5
123.11716	5.9
127.03905	1.4
133.10114	0.6
137.13306	0.5
141.09119	0.6
143.99138	0.4
147.04414	100.0
148.04727	0.8
151.11188	1.3
155.14391	0.4
165.05487	4.3
169.12241	5.1
177.05440	0.4
178.56068	0.4
187.13297	1.4
291.08704	3.2
295.15344	0.6
309.09683	7.1
313.16504	0.8
331.17703	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	467.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57288	0.5
61.44197	0.6
63.00698	0.6
67.05502	0.7
69.03407	1.2
71.52166	0.6
79.05500	5.6
81.03411	1.8
81.07060	1.0
82.64739	0.5
85.02912	2.8
89.03936	4.6
91.05487	1.3
95.04977	1.0
97.02892	1.3
100.20292	0.6
105.07039	1.2
107.04931	2.1
107.08601	7.1
109.02901	1.0
109.10212	0.5
117.03381	6.5
125.02368	0.8
125.09631	1.1
131.08525	0.6
135.04424	13.5
135.08051	0.6
145.02859	9.9
147.04398	1.8
154.97385	0.7
163.03914	100.0
181.04948	4.2
287.13950	0.7
305.14615	0.8
307.08130	2.2
325.09076	4.1
467.15106	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	467.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	23.8
55.01865	14.2
55.05501	15.2
57.03435	12.5
61.02933	8.7
67.05517	38.5
67.75095	6.3
68.99797	14.3
69.03439	56.0
69.07083	24.0
71.04984	19.3
71.51648	6.0
73.02910	11.7
79.05489	32.6
81.03426	66.8
81.07062	94.7
83.04997	11.8
83.08616	12.5
83.41911	6.2
85.02914	88.2
85.06554	7.7
87.00848	34.9
91.05486	51.3
93.07053	76.4
95.04984	25.1
95.08613	64.2
97.02898	30.2
97.06517	11.8
99.04446	17.6
100.11247	15.5
100.23689	4.8
103.03935	5.2
105.01863	16.8
105.07046	85.8
107.04939	10.0
107.08601	55.5
107.45708	4.8
109.02900	56.5
109.06523	20.9
109.10152	49.9
111.04442	8.6
111.08049	9.6
117.07005	18.4
119.04941	9.1
119.08589	62.2
121.06512	11.8
121.10152	45.9
123.04453	6.2
123.08085	12.2
123.11691	17.2
125.09656	7.5
127.03924	64.3
128.06255	6.5
129.01872	11.7
129.06961	7.8
131.04927	10.6
131.08595	41.9
133.10170	45.2
134.19824	5.1
135.08051	5.3
135.11708	15.2
137.05963	10.2
137.09615	9.0
142.07794	9.4
143.08559	19.2
144.09354	7.2
145.04971	19.8
145.10150	74.0
147.03065	6.0
147.04404	28.8
147.08057	6.9
147.11679	32.2
149.05933	6.7
149.09622	11.7
149.13235	8.0
151.11183	8.1
155.08694	5.9
157.10162	28.7
159.02901	21.5
159.08141	6.5
159.11716	84.1
161.09607	9.1
161.13283	35.5
163.07458	6.4
163.11192	13.1
163.14815	7.3
165.05516	5.8
165.09151	5.4
169.10114	5.4
171.11642	7.1
173.09477	7.1
173.13274	26.2
175.14819	13.2
181.10130	5.7
185.13307	5.4
187.14919	6.4
189.16344	8.1
199.14790	12.8
201.16391	100.0
203.10652	6.4
203.17947	10.8
217.15939	23.3
219.17462	35.5
229.15695	5.2
231.05029	8.5
238.10074	4.9
261.18347	5.5
287.22217	6.6
309.18573	10.9
327.19443	7.5
357.53503	4.8
383.16702	5.6
431.20581	11.9
449.21677	14.7
467.22690	19.1
467.35867	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	467.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98076	1.6
53.03951	8.2
55.01869	9.0
55.05506	7.4
56.44542	1.5
57.03422	5.3
57.07064	4.7
61.02920	5.3
67.05502	9.6
68.99795	4.0
69.03081	2.9
69.03431	33.6
69.07073	8.1
69.36703	11.0
71.04983	6.8
73.02905	4.5
79.05502	10.7
81.03419	33.8
81.07055	23.5
83.04994	2.9
83.08613	3.4
84.04519	1.9
85.02909	49.3
87.00832	17.0
91.03925	2.8
91.05474	26.6
93.07039	14.6
95.04958	7.8
95.08608	22.0
97.02894	18.4
97.06554	2.0
97.10167	2.2
99.04474	11.8
100.33054	1.9
103.03911	1.7
105.01867	13.6
105.07030	37.6
105.07700	3.1
107.04955	6.5
107.08583	22.0
109.02881	28.4
109.06525	4.9
109.10167	12.5
111.04432	2.8
111.08065	2.8
115.03934	2.4
115.05469	1.7
116.06232	2.0
117.01844	3.7
117.07028	10.7
119.04922	3.8
119.08591	24.0
121.06546	8.0
121.10151	20.9
123.08089	2.4
123.11710	5.2
125.09592	3.1
127.03916	40.2
128.06235	3.1
129.01854	3.2
129.06990	5.5
130.07785	5.6
131.08569	37.8
133.10118	20.0
135.08006	2.5
135.11674	5.3
137.05968	4.4
139.46391	1.5
141.07010	4.7
142.07779	4.7
143.08591	13.3
144.09305	4.3
145.04962	9.9
145.06442	4.8
145.10135	44.4
145.65668	1.7
147.02876	2.5
147.04370	5.8
147.08038	3.8
147.11710	12.3
149.13275	1.8
153.06985	1.9
155.08501	4.5
156.09341	3.7
157.10139	10.5
158.10960	8.2
159.02861	13.5
159.08051	7.3
159.11696	24.8
161.09605	4.2
161.13268	10.9
163.03856	2.3
163.07433	1.7
163.11201	2.8
163.14908	2.0
169.10045	3.2
171.08026	2.0
171.11702	7.2
173.09647	8.2
173.13263	25.2
175.14871	4.3
179.08624	1.7
183.11670	8.7
185.09583	2.7
185.13271	2.0
187.11194	4.2
187.14850	3.1
188.11958	4.0
189.03940	1.8
189.12761	26.3
191.14305	3.2
191.17935	2.1
197.13354	2.3
199.14859	8.9
201.12756	46.9
201.16394	59.5
201.18291	3.2
203.14346	3.2
203.17923	18.7
207.11531	1.9
211.14824	3.2
213.16306	2.6
215.17888	2.4
217.08018	1.6
217.15939	3.3
219.13809	100.0
219.17122	16.8
231.05055	5.2
259.09723	2.8
267.47995	2.0
309.18457	2.8
327.19626	2.7
420.62802	1.7
423.15167	6.4
431.20920	3.9
449.21783	4.0
467.14145	26.3
467.20645	2.5
467.23486	2.2
467.36154	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	467.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82991	0.4
56.96569	20.2
56.96843	0.7
57.07081	0.5
67.05491	1.0
69.03410	1.0
69.07043	1.3
70.74517	0.7
70.98134	0.5
71.95266	3.7
72.96056	2.0
79.05470	0.5
81.03407	0.9
81.07042	2.2
84.96012	0.4
85.02884	1.2
91.05469	0.8
93.07052	2.2
95.04994	0.5
95.08578	1.2
97.02871	0.7
97.96827	0.5
105.00142	0.8
105.07005	1.7
107.08561	1.2
109.02823	0.8
109.10118	1.3
110.97575	1.7
119.01683	0.6
119.08556	1.2
121.10124	0.8
121.17837	0.4
123.11708	0.5
127.03916	0.6
131.08560	0.6
133.10094	1.2
137.02704	1.2
137.05946	0.8
145.10092	1.2
147.11682	0.7
151.04253	0.6
155.03775	0.5
157.10242	0.4
159.11691	1.0
171.11778	0.5
175.14738	0.6
187.14835	0.4
189.16432	0.5
201.16362	1.2
207.10527	0.5
211.14513	0.4
219.17308	1.0
223.10014	5.0
235.10049	7.6
241.11121	43.4
242.11314	0.8
253.11122	81.4
254.11494	0.6
259.12192	37.4
264.12735	2.2
271.12177	100.0
272.12433	1.1
276.12726	1.9
278.57062	0.4
282.13708	1.0
289.13293	2.7
294.13779	11.8
467.26837	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.8
55.05518	8.2
57.07082	25.7
59.04994	2.9
65.03933	2.8
67.05510	75.0
69.07071	8.7
71.04980	2.6
71.08640	22.0
71.51981	0.9
71.52369	1.5
79.05495	2.4
81.07062	21.7
83.08630	12.4
85.06543	2.2
85.10193	9.1
86.95982	0.9
89.06033	1.2
91.05478	4.7
93.07045	3.6
95.04983	0.8
95.08614	19.2
97.10184	4.1
99.11771	1.3
105.03385	3.0
105.06969	1.1
107.08606	3.2
109.10164	61.5
111.08067	1.8
111.82651	0.9
114.38251	0.9
119.08590	5.2
123.11729	3.0
125.09651	1.0
135.11707	1.6
137.09628	2.7
145.10146	1.0
155.07024	1.0
155.10703	4.9
167.21614	1.1
173.11757	17.7
173.13193	2.1
179.03473	2.0
180.03717	1.9
181.03920	1.7
187.14854	1.3
199.05255	1.0
222.06108	1.0
239.23779	7.0
242.24857	0.9
257.08185	1.5
258.08423	3.5
259.08780	2.8
381.19717	1.4
467.37399	100.0
468.38333	1.3
484.70291	1.2
491.95810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.3
55.05519	10.4
55.29545	1.2
57.03429	2.8
57.07082	31.6
59.04996	3.6
65.03934	2.2
67.05512	88.2
69.07072	7.9
71.04993	2.1
71.08643	24.1
71.53317	1.4
79.05496	2.9
81.07063	24.0
83.08628	13.4
85.06543	1.5
85.10185	12.7
89.06053	1.6
91.05492	4.6
93.07055	4.2
95.08611	21.1
97.10191	3.9
99.88858	1.3
105.07012	1.6
107.08595	2.0
109.10170	69.5
111.08096	1.6
119.08601	5.8
123.11737	4.0
137.09639	3.6
155.10701	4.8
173.11766	20.9
239.23698	9.4
293.11520	1.3
467.37381	100.0
468.37653	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	469.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.94664	0.9
55.01862	1.2
56.05033	1.3
57.03428	2.2
60.15611	1.0
61.02917	1.9
62.67194	0.9
67.05518	1.2
69.03435	6.5
69.57568	0.9
70.15283	3.7
71.05015	1.0
72.08136	1.4
76.47820	1.1
79.05495	8.3
81.03434	1.7
81.07044	4.4
83.05002	1.9
84.04510	17.2
85.02911	30.9
86.06083	5.5
87.04471	1.8
91.05482	4.0
93.05784	1.6
93.07082	1.2
94.06557	1.8
95.01331	2.5
95.04951	1.9
97.02923	4.6
98.20814	1.0
98.97585	2.5
99.04523	1.1
102.05546	10.8
103.05453	1.6
105.07029	2.9
107.04953	2.9
107.08605	15.0
108.30035	0.9
109.06514	3.7
110.96169	1.0
112.03977	1.7
112.27588	0.9
115.79727	1.1
116.98611	1.0
118.06538	3.3
119.04933	3.3
119.07325	1.5
120.08117	8.8
121.06509	3.8
123.04444	1.7
125.02335	1.0
125.09636	3.3
127.03904	3.5
130.05013	100.0
131.04985	1.4
132.08011	1.1
135.04317	1.2
137.04744	5.6
137.05972	17.5
138.09108	1.4
143.10686	11.5
145.04939	2.2
147.04430	1.9
147.06519	1.5
148.07535	2.2
155.07065	1.4
158.06030	1.5
158.99672	1.6
160.07529	1.4
163.03937	2.6
164.07079	60.8
165.05479	3.8
165.07855	2.4
166.07225	1.3
166.08643	22.8
167.07004	0.9
167.08804	1.0
190.08609	3.0
191.07086	1.1
193.04965	1.5
197.01137	1.2
202.05046	2.6
204.06566	14.0
204.10146	1.0
206.08061	2.1
211.05977	1.4
230.04404	1.0
230.08160	1.6
232.06091	9.1
232.09705	2.5
234.07597	1.4
248.05560	47.4
249.12399	4.4
250.10783	1.5
251.09172	1.4
258.07635	1.3
262.07147	3.6
266.09045	1.3
274.07272	2.2
276.08725	2.0
278.10178	1.7
285.02856	2.5
293.11292	1.8
294.09775	5.0
295.09708	1.8
295.12906	25.1
295.16199	1.7
303.03882	3.9
304.08081	3.6
320.06805	1.2
322.09232	46.0
327.03848	4.3
340.10287	5.6
360.06885	2.5
369.05365	1.2
373.12805	2.2
377.09872	1.8
403.13925	14.1
406.11230	1.8
423.13751	4.4
429.07028	2.0
433.12683	1.3
434.10687	2.2
447.08038	2.1
451.13528	59.8
452.12869	1.7
469.14270	13.2
469.20496	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01870	2.5
57.03426	1.4
64.43361	0.7
65.03942	0.9
65.53777	0.7
68.99780	1.0
69.03433	5.9
69.65482	1.4
69.65893	3.3
70.15837	0.7
73.02924	1.6
79.05499	4.3
79.63741	0.8
80.84951	0.7
81.03417	1.2
81.07067	12.8
82.83570	0.6
83.04979	4.7
85.02924	3.7
87.04461	0.9
90.06654	0.7
91.05485	5.2
93.07048	1.9
95.04965	4.9
97.02927	4.2
98.10771	0.8
98.20673	1.2
103.05473	0.9
105.07033	1.2
106.33549	0.7
107.04958	4.7
109.02882	0.9
109.06526	20.5
110.03974	0.7
110.07188	1.3
111.04464	4.4
113.02379	1.4
113.06001	1.1
115.03916	0.9
119.04959	3.6
121.06518	3.3
123.04446	1.0
125.05997	1.2
133.06500	1.5
136.53732	0.8
136.57237	0.7
137.05992	100.0
139.07573	2.6
143.03409	3.1
155.07048	15.6
161.04637	1.3
161.05995	4.8
164.58028	0.7
165.05510	2.8
167.21368	0.7
167.52023	0.7
177.05486	1.5
179.07065	2.2
183.06522	1.7
191.07088	0.8
193.97978	0.8
223.15736	1.2
233.08138	1.0
251.09201	2.4
251.14975	0.9
267.08572	1.1
269.10257	1.3
279.08817	1.1
297.09683	5.3
315.11050	1.5
364.22995	1.0
367.99036	1.0
403.13895	1.0
456.53610	0.8
466.04865	0.8
469.22925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01870	2.3
57.03424	1.2
61.96302	0.6
65.03931	1.1
67.05495	2.6
68.99782	1.6
69.03434	6.8
70.74682	1.3
71.01353	1.3
73.02927	1.1
76.72768	0.6
79.05496	4.7
81.03439	1.2
81.06594	0.9
81.07056	13.5
83.04980	6.3
85.02893	1.6
87.04445	0.7
91.05470	4.3
93.07045	1.0
95.04958	4.6
97.02896	5.1
98.21435	0.7
99.04401	0.7
102.11474	0.5
105.07037	0.6
107.04980	4.7
107.89321	0.6
109.06516	20.1
111.04427	1.8
113.02370	2.7
115.03919	0.9
117.07076	0.7
119.04927	3.4
121.06523	2.9
123.04395	1.9
125.02370	0.7
125.06008	1.5
127.04012	1.2
133.06487	1.2
135.04410	1.2
137.05980	100.0
138.06317	0.9
139.07520	1.0
143.03413	0.5
147.04422	0.8
147.08072	0.6
149.05992	0.6
155.07018	7.4
159.08087	0.9
161.04565	1.1
161.05969	1.2
163.03908	1.5
163.07632	0.9
165.05482	8.4
167.07175	0.6
173.05936	0.7
173.25389	0.6
177.09090	0.9
179.07016	0.8
187.07446	1.1
188.78903	0.7
189.05444	0.8
191.07048	1.7
205.08623	1.5
213.07625	0.8
215.07069	1.5
219.06528	1.0
233.08174	3.5
237.07617	0.7
251.09132	6.9
267.08606	4.8
269.10239	1.2
279.08795	0.6
297.09756	6.4
315.10669	3.3
373.12802	0.8
403.13760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97931	0.3
65.03934	0.6
67.05455	0.4
69.03428	0.9
70.06568	0.3
70.66834	0.6
70.67172	0.5
71.04992	0.4
71.08413	0.4
72.08177	0.5
79.05494	2.6
81.03428	2.0
81.07053	0.7
82.88364	0.4
85.02898	1.4
85.06555	3.3
91.05482	5.4
95.08604	0.7
97.02899	0.9
99.04430	0.4
105.07027	0.5
107.08597	3.6
109.02884	1.1
119.04950	15.6
119.05803	0.8
123.07980	0.3
125.09645	0.7
126.98452	0.4
127.03903	0.5
130.08659	0.4
137.06032	0.4
139.11182	0.5
143.10703	0.8
147.04417	100.0
148.04724	0.5
163.03880	0.7
164.07092	1.3
165.05486	6.0
165.07527	0.5
167.10667	1.6
167.12012	0.4
175.88568	0.4
183.87416	0.4
204.06531	0.6
205.06752	0.6
275.13959	1.3
276.14285	2.4
291.08701	2.7
309.09680	8.4
469.21609	3.9
469.33435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12202	0.5
59.61085	0.5
65.03929	1.0
67.05515	0.7
69.03398	0.8
69.43997	4.0
79.05492	5.9
81.03387	1.6
81.07051	1.8
91.05479	8.0
105.07042	1.1
107.08588	10.0
119.04944	21.1
120.05276	0.7
125.09629	2.1
143.10669	3.8
145.48112	0.6
147.04411	100.0
147.43773	0.6
148.04788	2.7
153.61009	0.5
165.04356	0.5
165.05434	3.0
202.57356	0.6
289.14377	0.6
309.09653	4.3
408.59341	0.7
438.12158	0.6
457.35068	0.6
469.33118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01848	1.2
56.93603	1.1
57.03429	1.9
61.02939	1.6
63.82919	1.0
67.05499	1.7
69.03443	5.9
69.88910	4.9
70.15963	1.1
73.68999	0.9
79.05499	47.4
81.07054	13.0
82.20016	0.9
83.04978	4.6
85.02911	16.8
87.04494	1.5
91.05475	4.3
95.08626	2.1
97.02325	1.2
97.02855	4.8
98.97591	3.0
99.04475	1.5
103.05511	1.2
105.07034	3.6
107.08604	100.0
109.06526	2.1
111.04466	2.3
120.08092	9.0
121.08437	3.0
124.07597	1.3
125.09641	28.3
127.03905	4.2
129.05484	4.0
130.04994	1.6
137.05978	3.8
143.10684	92.1
145.04990	4.7
147.06567	1.5
149.09618	1.4
158.11690	1.0
158.99683	1.7
159.08034	1.3
161.11739	8.1
163.03903	3.5
163.06021	2.6
164.07085	2.0
166.08614	5.1
167.08986	1.7
167.10690	1.2
207.42950	1.0
219.01826	1.1
240.19145	1.0
248.05664	1.8
251.12881	1.3
254.09088	1.4
264.07593	3.1
305.15970	2.2
309.11844	1.1
322.09158	1.4
327.03781	1.3
336.09631	5.6
403.13901	2.1
429.07498	1.2
451.13318	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01875	1.2
55.05510	1.9
57.03448	1.6
61.02944	0.9
65.03938	1.1
67.05502	2.2
69.03432	6.6
70.63923	1.6
74.39231	0.7
75.04478	1.7
77.03928	1.5
78.68916	0.8
79.05497	15.9
81.03424	6.4
81.07050	6.8
83.04995	1.0
85.02908	7.0
91.05481	12.1
93.07048	52.7
94.07388	0.8
95.04957	2.4
95.08608	6.5
97.02889	4.0
97.06519	0.9
103.05498	2.4
104.17867	0.8
105.04525	2.2
105.07040	24.6
107.04963	1.3
107.08586	5.8
109.02888	3.9
109.06547	2.4
111.08070	2.5
113.24740	0.7
116.06184	0.8
117.06995	1.3
119.08582	10.6
121.06514	7.1
121.10147	100.0
123.08084	5.9
123.11713	5.4
127.03913	3.2
129.05528	0.9
131.08559	6.5
132.08961	0.9
133.06636	1.1
133.07623	2.5
133.10159	1.9
139.11186	3.3
141.09109	2.7
145.05070	0.8
147.08052	0.9
149.09621	91.4
150.10092	1.0
167.10677	16.5
169.12335	1.4
221.15427	1.0
289.18039	1.5
293.13794	6.4
311.14883	13.8
329.16266	0.8
403.40289	0.9
417.96628	0.9
476.51971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.05523	2.2
55.66013	1.1
56.33022	1.0
57.03434	2.2
59.39428	1.1
67.05513	2.3
69.03420	7.7
69.06522	1.1
70.03129	4.0
75.04486	2.5
77.03905	1.3
77.80753	1.3
79.05492	15.6
81.03431	5.7
81.07072	5.6
85.02908	6.0
89.06731	1.1
90.89496	1.1
91.05476	14.3
93.07048	62.8
95.04984	2.7
95.08595	6.0
97.02914	3.5
97.06532	1.9
99.04460	1.7
103.05450	2.3
105.07038	20.8
107.08611	4.6
109.02879	3.4
109.06493	1.6
111.08080	3.8
119.08599	16.6
121.06533	4.0
121.10151	98.7
123.08073	5.1
123.11684	1.4
127.03929	2.7
131.08589	11.4
133.10152	1.4
137.05960	1.6
139.11200	6.6
141.09085	5.6
145.04968	1.4
145.10133	1.5
147.04427	1.6
149.09630	100.0
151.07474	1.1
167.09383	1.3
167.10681	34.8
215.07092	1.7
247.07880	1.2
259.09680	1.4
293.13867	5.8
299.10684	1.5
311.14783	13.1
394.40015	1.3
441.83109	1.2
469.23773	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	469.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52562	3.1
53.03947	8.3
55.01869	7.8
55.05510	18.2
55.41778	2.5
57.03423	3.0
57.07067	5.7
60.97776	3.1
61.02897	4.1
67.05508	42.1
68.02423	2.9
68.99792	6.4
69.03442	16.8
69.07069	25.5
71.04991	3.3
71.08640	3.5
73.02911	2.7
73.41256	3.3
79.05497	21.5
81.03421	21.7
81.07056	61.4
83.04990	11.8
83.08625	8.5
85.02901	31.1
85.06547	3.7
87.00830	15.3
87.04481	4.5
91.05476	43.5
93.07047	100.0
95.04968	13.7
95.08614	47.7
97.02884	15.6
97.06504	4.9
99.04454	7.9
101.02379	3.0
105.01871	9.6
105.07035	61.4
107.04927	4.2
107.08593	52.9
109.02895	16.4
109.06539	7.5
109.10160	67.2
111.04456	3.9
111.08084	27.6
115.03931	7.0
117.07006	10.5
119.08593	59.6
120.44114	2.8
121.06514	3.7
121.10141	31.6
123.04427	3.5
123.08080	6.6
123.11710	11.3
125.09631	12.4
127.03870	15.8
128.06248	3.2
129.01822	3.4
131.08578	13.6
133.10112	31.5
135.11702	34.7
137.05986	18.1
137.09679	3.8
137.13304	3.8
137.23344	3.4
143.08546	6.0
145.04945	8.1
145.10132	21.5
147.11688	55.6
149.13286	7.7
151.07471	4.9
155.08565	3.9
157.10179	7.4
159.02907	6.8
159.11714	14.3
161.13234	16.3
163.07574	3.6
169.10115	3.3
173.13310	4.8
175.14835	9.3
183.11690	3.1
187.14850	3.6
201.16473	5.8
203.14412	4.3
203.17967	55.6
215.17932	3.1
221.18991	9.5
229.19269	4.0
231.05067	3.7
239.17747	3.7
243.17453	4.1
245.19003	4.5
251.18089	3.4
311.19925	7.4
329.21014	7.4
433.22095	5.4
451.23477	7.5
466.51019	3.1
469.18222	4.3
469.24179	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	469.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	15.7
55.01870	9.3
55.05511	17.5
57.03422	7.4
61.02916	7.9
64.41685	3.1
65.03950	3.4
67.05236	2.8
67.05511	31.3
68.99776	6.5
69.03435	32.0
69.07068	29.0
69.80019	3.0
70.53191	6.9
70.59322	3.1
71.04990	8.1
73.02899	5.2
79.05495	30.3
81.03423	32.4
81.07060	78.0
83.04967	10.8
83.08580	7.8
85.02435	4.9
85.02907	56.9
85.06532	4.6
87.00826	20.9
91.04981	4.1
91.05492	45.4
93.07047	94.9
95.04955	11.6
95.08607	76.2
97.02901	22.9
97.06512	8.8
97.10178	4.6
99.04463	12.0
103.03938	8.7
105.01864	16.1
105.07039	78.2
107.04938	4.2
107.08601	79.3
109.02882	20.3
109.06507	12.0
109.10165	72.0
111.04427	9.0
111.08080	16.7
115.03929	6.6
117.07027	11.0
119.08586	89.3
121.06540	3.3
121.10150	52.6
123.04473	3.3
123.08051	12.4
123.11729	17.9
125.09630	31.6
127.03909	35.8
129.05505	6.8
131.08528	20.9
133.10124	42.3
135.08034	8.7
135.11688	32.7
137.05984	4.2
137.09628	10.4
139.11166	3.9
142.07767	3.5
143.08549	12.9
145.04984	9.1
145.10146	33.2
147.11697	100.0
149.09605	11.9
149.13251	11.3
151.07600	3.7
151.11176	7.1
153.09076	7.3
155.08572	4.3
157.10162	14.7
159.02844	8.4
159.11700	27.0
161.09636	7.9
161.13261	21.8
163.11197	11.5
163.14815	5.9
165.09125	5.3
165.12744	9.0
169.10049	8.5
171.02916	4.1
171.11679	9.6
173.09679	7.0
173.13290	15.6
175.11191	4.5
175.14799	12.0
177.12817	4.7
177.16454	3.9
183.11716	6.1
185.13252	11.3
187.11194	3.2
187.14906	8.2
189.04007	9.7
189.12807	3.8
189.16461	7.7
191.10649	4.0
192.70250	3.0
195.11650	3.6
199.11249	4.1
199.14862	7.2
201.16364	11.3
203.14273	6.5
203.17970	64.3
205.12311	4.4
205.15837	4.5
205.19507	4.6
209.13423	5.0
215.18021	8.8
217.15968	3.9
219.04939	3.5
219.17453	13.1
221.15405	39.5
221.18996	13.9
225.16458	5.9
227.17874	5.4
231.04927	5.4
231.17358	6.8
233.18938	5.2
243.17494	7.9
245.19038	11.7
257.18979	6.4
261.18579	5.3
269.19104	4.9
283.20422	4.2
287.20071	3.5
293.18961	4.1
311.20093	16.7
329.21094	11.7
365.22952	4.1
415.21100	6.9
433.22137	19.4
451.23099	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57148	2.4
53.03944	15.7
55.01854	8.7
55.05515	13.8
55.57775	2.6
57.03426	8.2
57.07080	4.3
61.02908	3.9
63.24295	2.6
65.03943	3.0
67.05515	24.6
68.99795	5.2
69.03428	40.4
69.07079	14.9
69.74491	16.1
71.01354	2.4
71.04975	8.4
73.02912	8.0
79.05499	16.1
81.03423	47.0
81.07056	67.6
83.08637	6.3
85.02909	74.0
85.06524	2.9
87.00842	36.3
91.03955	5.5
91.05482	27.2
93.07042	48.8
95.04954	8.2
95.08617	53.2
97.02903	27.6
97.06515	5.1
97.10168	7.1
99.04463	12.4
105.01883	17.6
105.07034	90.2
107.07883	5.5
107.08597	100.0
109.02898	39.9
109.06509	7.3
109.10164	40.8
115.03944	3.0
117.01855	4.9
117.07050	3.5
119.08582	75.1
121.10147	35.9
123.04478	4.0
123.08111	4.0
123.11717	21.1
125.09684	3.0
127.03924	56.4
129.01814	7.7
129.07008	4.2
130.62430	2.5
131.08578	13.8
133.06537	3.0
133.10135	44.2
135.08038	3.0
135.11707	33.7
137.05995	4.6
143.08598	4.3
145.04971	20.2
145.10146	17.7
146.10884	3.2
147.02873	6.0
147.08003	3.6
147.11696	60.5
149.13277	12.8
151.07523	2.9
151.11145	4.3
154.92535	2.6
156.09296	2.8
157.10172	3.9
159.02893	20.6
159.11647	14.8
161.13242	25.0
163.07559	5.9
163.14832	42.6
169.10077	4.3
170.93742	2.8
171.11688	6.2
173.13264	6.2
175.14853	13.7
179.08636	2.9
183.11642	4.7
187.14798	4.1
189.16354	7.3
201.16377	17.7
203.17961	93.9
205.19463	8.6
213.16435	7.6
215.17960	6.7
219.17464	5.6
221.19009	14.9
225.16335	3.4
227.17873	4.2
231.05022	5.8
231.17445	4.1
233.19011	3.9
240.28256	2.9
245.19069	3.8
257.18872	3.2
263.08847	3.1
267.25769	2.4
267.97748	2.8
287.19788	3.0
311.20081	11.0
329.20987	10.6
346.66043	3.0
347.22141	3.2
398.90540	2.6
415.21127	8.2
433.22125	10.4
451.23364	8.6
469.24182	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	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03939	4.6
55.01855	3.6
55.05514	21.4
55.93497	1.7
57.03437	3.4
57.07063	4.4
63.72588	2.1
65.94643	2.1
67.05190	1.9
67.05512	25.5
69.03442	12.2
69.03756	2.8
69.07075	24.7
71.05008	2.8
71.08619	2.4
71.52481	3.3
79.05490	20.9
81.03421	11.9
81.06592	3.4
81.07057	68.5
83.04984	25.0
83.08609	18.6
85.02912	9.9
85.06547	4.2
85.28970	1.7
87.00870	2.3
91.05479	37.6
93.07044	65.6
95.05000	11.3
95.08607	75.0
97.02881	5.6
97.06522	8.6
97.10161	7.4
99.04463	2.4
99.08096	11.2
103.05463	4.2
105.01820	2.0
105.07034	79.9
106.75066	2.3
107.04939	4.4
107.08593	88.1
109.02884	5.2
109.06499	9.3
109.10158	47.8
111.08097	9.1
115.05455	2.4
116.06245	2.3
117.07024	12.5
119.04915	2.7
119.06166	2.2
119.08582	100.0
121.06519	3.5
121.10149	65.5
123.08057	6.0
123.11704	25.7
125.09619	10.5
126.04691	2.0
127.03927	6.0
128.06229	3.6
129.06990	8.5
130.07779	3.0
131.08571	49.1
133.06491	3.0
133.10130	71.8
135.08054	4.5
135.11693	28.6
137.05980	28.7
137.09601	7.7
137.13242	8.8
139.11139	2.3
141.06963	2.3
142.07762	6.3
143.04927	4.5
143.08568	24.4
144.09328	5.9
145.04985	3.2
145.06505	2.9
145.10124	77.6
147.04358	3.5
147.08072	4.8
147.11681	39.3
149.05928	2.6
149.09633	7.3
149.13264	18.6
151.03862	3.1
151.07619	4.3
151.11223	9.1
153.05460	4.2
155.08540	5.8
156.09283	3.9
157.10121	31.0
158.10928	3.4
159.08047	3.8
159.11703	56.9
161.09602	6.1
161.13264	25.9
163.07564	6.0
163.11169	5.1
163.14830	14.4
165.05463	4.2
165.12720	4.1
169.10185	12.8
170.10887	6.3
171.08139	2.0
171.11691	25.5
172.12486	5.1
173.09613	2.5
173.13264	43.1
175.07568	2.7
175.11197	4.2
175.14832	35.2
177.09087	2.2
177.12900	3.8
177.16408	13.4
181.10126	3.3
183.11668	14.4
184.12466	3.0
185.13268	39.2
187.07532	1.8
187.11188	3.4
187.14833	62.8
189.09143	3.1
189.12781	3.4
189.16386	20.6
191.14336	10.4
191.18048	3.7
193.15912	4.5
195.11734	7.7
197.13210	14.3
198.13899	2.3
199.11163	2.2
199.14825	44.7
201.16385	57.2
203.14345	20.7
203.16075	2.6
203.16408	2.3
203.17961	16.7
205.12193	2.2
205.15874	28.2
207.11736	2.6
207.17422	4.7
209.13258	6.4
211.14873	18.4
213.16396	37.8
215.14375	2.9
215.17918	12.2
217.15836	11.0
219.17438	22.9
221.15340	3.1
221.19070	2.5
223.14966	3.1
225.16403	8.5
227.17973	11.1
229.15906	5.7
229.19586	2.3
231.17436	10.2
233.15387	12.9
233.19107	2.9
237.16435	4.5
239.17883	7.3
241.19565	10.6
243.17461	4.3
243.21069	2.7
245.15439	9.7
245.19101	2.8
247.16943	5.5
249.14706	9.5
253.19565	9.5
255.21114	4.6
259.16916	9.6
265.19501	3.9
267.21112	13.7
271.17056	3.2
279.21030	3.1
283.20554	7.5
285.18472	2.0
285.22110	2.4
287.20013	2.7
299.20053	4.3
299.23560	2.2
307.09665	4.0
313.21515	2.7
325.10760	3.5
335.23688	2.9
365.28662	2.5
377.32098	2.6
387.30359	5.7
393.31546	2.4
395.33423	2.2
405.31522	65.0
407.33188	21.6
415.29620	3.5
423.32590	30.1
433.31180	18.5
451.32092	37.1
469.19321	10.6
469.33197	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Euscaphic Acid F
Peak:m/z	Relative Intensity
55.05495	8.0
57.07063	3.0
66.92027	2.4
67.05518	12.8
68.34829	1.9
69.07063	17.9
71.04987	2.4
71.52888	3.9
79.05493	10.2
81.07056	23.3
83.08597	7.5
88.81710	2.1
91.05472	14.8
93.07053	25.4
94.83128	1.8
95.08604	38.4
97.06554	2.8
97.10119	2.9
105.07034	36.6
107.08592	42.8
109.06524	2.9
109.10162	17.9
111.08068	3.9
117.06996	7.5
117.67573	2.0
119.08587	100.0
121.06535	3.6
121.10157	31.6
123.08054	6.6
123.11704	9.3
125.09630	3.2
128.06244	4.0
129.06990	3.6
131.08574	29.4
133.10130	39.9
135.08003	3.5
135.11700	16.1
137.09526	2.6
137.13206	2.9
141.07019	3.2
142.07747	8.5
143.08553	21.6
144.09306	4.2
145.10117	46.3
147.08026	2.9
147.11708	14.5
149.09605	4.0
149.13239	11.6
155.08533	4.8
156.09311	4.6
157.08945	3.0
157.10132	28.6
158.10857	6.0
159.08002	4.4
159.11713	40.7
161.09599	9.0
161.13263	13.6
163.11157	4.1
163.14859	10.1
165.12776	3.3
167.10640	2.9
169.10089	10.3
170.10901	6.6
171.11667	26.0
173.13274	34.4
175.11230	5.9
175.14832	42.2
177.09097	3.0
177.12672	3.2
177.16364	9.4
179.14290	2.0
181.10103	3.7
183.11697	9.0
184.12419	3.5
185.13318	11.1
187.14836	34.5
189.16418	14.5
191.14311	3.5
193.15842	5.8
195.11700	4.3
196.12529	2.8
197.13252	10.6
199.14862	30.5
201.16388	35.0
203.14243	4.9
203.17989	8.2
205.15854	2.5
207.11774	3.1
209.13263	6.5
211.14819	11.0
212.61519	2.2
213.16374	18.4
215.14400	3.0
215.17896	5.1
217.15889	15.1
221.13251	3.0
223.14777	6.2
225.16417	5.0
227.14102	2.3
227.17943	7.0
229.15869	3.6
231.17395	8.2
233.15324	3.2
235.14868	3.9
235.16928	57.3
237.16402	3.0
239.17941	5.7
241.19444	2.4
247.14728	3.7
247.16930	7.9
249.18474	6.7
251.17892	4.9
253.19467	2.9
265.19550	2.7
267.21167	2.3
279.21066	3.8
291.21042	4.1
293.22534	4.0
295.24036	2.3
303.20877	2.8
305.22421	2.7
309.22287	3.3
317.22641	4.7
327.23254	3.3
345.25964	3.6
347.27365	2.8
359.05991	2.1
377.32175	3.4
383.29126	2.6
387.30481	37.5
405.31531	95.9
423.32584	79.1
433.31000	14.0
451.32236	23.8
469.33398	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05511	13.6
57.07068	2.9
62.81943	2.6
67.05499	12.0
69.03434	4.5
69.07060	12.0
71.25791	4.9
73.38613	2.5
79.05498	15.4
81.07057	42.6
83.04984	7.0
83.08611	8.0
91.05475	17.1
93.07039	33.0
95.08601	42.5
105.07032	47.7
107.08601	47.5
109.06497	6.1
109.10165	25.2
111.08076	3.3
117.06983	6.8
119.08588	78.1
121.10143	28.4
123.08042	4.6
123.11694	16.5
125.09612	12.6
127.07589	4.6
129.07014	3.3
131.08582	40.9
133.10130	44.8
135.11736	14.0
137.13200	2.3
142.07692	3.1
143.08546	15.7
145.10117	56.7
147.11639	25.8
149.09583	3.1
149.13283	6.9
156.09387	4.0
157.10133	18.4
158.10875	4.4
159.11694	39.7
161.13239	19.8
163.14838	8.0
169.10121	5.9
171.11711	14.6
173.09554	3.2
173.13295	33.1
175.14836	35.4
177.12711	3.7
177.16396	10.8
179.14252	3.1
183.11600	5.5
185.13232	20.0
187.14827	100.0
189.16350	22.3
191.14383	2.7
195.11757	5.0
196.20496	2.6
197.13358	5.4
199.14830	25.6
201.16394	69.6
203.14336	8.1
203.17967	13.9
205.15887	88.9
207.17487	5.4
211.14896	5.2
213.16434	19.4
215.17958	10.6
217.15921	3.1
219.17435	9.0
221.15352	3.7
225.16425	4.6
227.17934	5.0
229.15773	3.5
229.19572	2.8
231.17441	4.5
233.18909	4.3
236.10423	2.5
237.16299	2.7
241.19437	3.1
245.15227	5.1
247.16946	6.8
249.18372	2.9
254.04285	2.6
259.16812	3.9
279.21259	3.3
293.57275	3.4
387.30399	7.5
389.31924	2.9
405.31509	40.9
407.32999	8.9
415.29935	3.0
423.32529	14.2
433.31320	16.0
451.32144	26.4
469.33435	7.4
494.23593	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	469.332
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05523	11.1
57.07080	5.4
67.05502	10.8
69.07073	17.4
69.43628	13.7
79.05491	11.9
81.07062	23.8
83.05003	3.3
83.08633	8.8
91.05502	16.7
93.07057	28.9
95.05007	2.3
95.08608	42.7
97.06560	2.7
97.10162	1.9
98.20768	3.1
105.07038	37.6
107.04977	2.9
107.08606	43.6
109.06517	3.2
109.10164	18.4
111.08050	4.7
117.07032	6.5
119.08598	63.8
121.06532	5.9
121.10152	39.1
123.08083	4.4
123.11736	6.3
126.76373	1.8
131.08588	24.2
133.10138	30.5
135.08105	3.5
135.11688	20.7
140.15176	2.3
142.07773	4.3
143.08611	16.4
145.06541	2.0
145.10133	48.8
147.11700	24.7
149.09641	6.6
149.13219	12.0
151.07541	2.7
151.11266	2.4
155.08545	3.1
156.09407	3.7
157.10153	27.4
158.10956	2.2
159.08122	3.3
159.11708	37.5
161.09683	3.0
161.13281	11.6
163.07590	5.3
163.11214	10.2
163.14807	11.9
169.10193	6.3
170.10934	4.2
171.11705	16.2
173.13303	26.3
175.11195	3.7
175.14841	29.0
175.94630	2.0
177.16400	19.9
183.11746	9.1
185.13295	15.5
187.14854	36.9
189.12787	3.3
189.16385	24.6
191.18015	5.5
195.11716	2.4
196.26178	1.9
197.13208	4.7
199.14841	42.4
201.12799	3.6
201.16406	37.8
203.14410	2.7
203.17950	5.6
205.15904	86.1
207.17508	4.6
211.14850	5.0
213.16434	8.6
215.14323	5.7
215.18008	8.3
217.12326	3.2
217.15985	8.2
219.13956	2.3
219.17445	9.8
223.15027	3.4
223.16902	10.5
225.16508	5.6
227.17975	6.6
229.16147	3.3
229.19566	2.6
231.17496	3.7
233.15422	10.9
233.19109	2.4
235.16925	3.6
239.18076	3.7
241.19559	4.7
245.15492	8.8
247.16998	6.4
253.19447	2.5
261.72690	2.4
299.20197	2.7
387.30527	6.6
388.01175	2.3
393.31653	3.6
405.31442	27.0
407.33121	6.8
423.32739	12.9
433.31192	16.6
451.32150	63.8
469.33231	100.0
470.33447	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	469.3681
Annotation	Monocarpinine
Peak:m/z	Relative Intensity
55.05503	4.3
55.99859	0.9
57.07072	1.8
63.20819	0.9
67.05507	5.3
69.07069	6.4
70.76482	1.9
70.76818	2.1
72.08157	1.4
78.77413	0.8
79.05495	5.4
81.07051	15.0
83.08621	3.8
89.06032	2.6
91.05456	4.8
93.07048	13.2
95.00140	0.9
95.04971	1.2
95.08611	26.9
97.06524	1.3
97.10193	1.3
104.48541	0.9
105.07037	11.8
107.08598	23.3
109.06525	2.5
109.10167	13.4
111.08115	1.3
117.07015	1.9
119.08587	21.6
121.09325	1.9
121.10154	21.8
121.11040	1.3
123.08081	3.3
123.11701	3.8
124.16449	1.0
131.08553	7.1
133.08667	1.0
133.10132	13.1
135.08060	2.6
135.11702	11.0
137.09654	1.1
143.08632	1.6
145.10124	10.1
147.10536	1.2
147.11702	19.8
149.09712	1.0
149.13271	11.3
157.10165	2.0
158.78506	0.9
159.11685	8.6
161.13261	7.3
163.14854	9.4
165.40346	0.9
171.11772	1.2
173.13286	5.2
175.14806	6.5
177.16376	9.7
183.11626	0.9
185.13271	2.6
187.14810	19.6
189.16391	40.0
191.14424	1.5
191.17970	2.8
197.85114	0.9
199.14836	1.8
201.16411	9.5
203.17979	2.8
205.15889	63.2
207.17456	1.5
213.16408	3.0
215.17989	4.6
217.19501	3.5
219.17508	2.9
227.17874	1.0
229.19557	3.1
241.19626	1.4
249.18480	4.1
255.21179	4.2
264.29440	1.0
269.22626	2.0
284.17792	1.1
333.23981	1.5
363.00299	1.0
373.27481	3.6
391.33701	3.9
409.34729	3.9
451.35669	6.9
469.36826	100.0
470.37265	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	469.368
Annotation	Monocarpinine
Peak:m/z	Relative Intensity
55.05502	2.7
58.64077	1.5
67.05497	4.4
69.03435	2.3
69.07077	3.4
71.07910	3.1
79.05501	1.9
80.71610	1.5
81.07075	12.9
83.04983	4.6
83.08620	2.4
89.06026	2.9
91.05466	2.8
93.07059	9.6
95.04948	1.9
95.08623	17.4
105.07086	8.4
107.08607	15.9
109.10191	10.3
111.08054	2.3
119.08607	10.1
121.10165	16.0
123.08075	3.6
123.11709	5.8
133.10146	7.0
135.08011	1.8
135.11705	11.9
137.13313	2.2
145.10127	4.8
147.11742	5.2
149.09654	15.4
149.13242	3.4
159.11742	4.1
161.13283	5.1
163.11185	1.8
168.36807	1.7
173.13281	3.1
175.14909	6.4
177.16414	11.6
189.16412	3.6
191.17969	3.4
201.16402	2.4
203.14288	2.0
219.17487	8.3
273.22217	6.1
292.95834	1.4
295.27512	1.9
316.00314	1.6
336.59772	1.5
369.88727	1.7
409.34683	4.7
469.36835	100.0
470.37326	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	471.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.1
53.89753	0.7
55.05516	1.3
57.03446	1.4
67.05490	1.9
69.03430	4.8
69.07059	0.9
69.23696	7.6
70.06597	9.1
71.05002	5.3
72.74275	0.9
73.02899	1.0
79.05484	2.5
81.03424	3.9
81.07060	3.1
83.04993	2.0
85.02911	9.5
85.06552	2.4
86.09722	0.9
87.00820	1.1
87.24884	0.9
89.03905	1.6
91.05513	1.2
93.07068	4.7
95.08618	3.8
97.02885	1.9
98.21471	1.4
99.04478	1.3
99.08095	4.1
105.07036	3.0
107.08603	2.6
109.02879	2.0
109.06523	1.0
109.10172	2.1
117.03403	1.1
118.06887	1.7
119.08578	1.4
121.06468	1.2
121.10172	2.9
122.10455	0.9
123.11730	1.4
125.09613	2.3
127.03932	3.7
129.05501	2.8
130.06476	1.2
131.08595	1.1
133.10103	1.5
135.04408	3.9
135.11670	1.0
137.05989	1.2
137.09637	1.3
145.02859	2.1
145.10175	1.5
147.04428	2.8
147.11705	1.7
149.09648	2.5
150.09972	0.9
159.09254	1.5
161.93945	0.8
163.03925	23.7
163.11163	1.0
165.09154	0.9
177.16374	0.9
187.14876	1.8
189.16251	0.8
205.12228	2.1
205.15901	3.1
223.13113	13.8
223.16856	1.2
251.12726	0.9
265.14127	1.4
291.19461	1.1
363.21405	0.9
377.20932	1.5
385.18350	12.0
409.18320	1.0
427.19446	29.4
471.18420	100.0
472.18597	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01845	1.3
55.05518	1.0
67.05505	2.5
67.23164	0.7
69.03423	2.5
71.04979	2.4
74.51133	0.7
77.03987	0.7
79.05490	1.3
81.03403	2.5
81.07045	3.2
85.02918	6.0
85.06544	1.6
87.00817	1.9
91.05482	1.7
92.80715	0.6
93.07041	3.2
95.04964	1.4
95.08612	29.4
95.36684	0.6
97.02871	1.8
98.20700	1.4
99.04462	1.5
105.07045	3.6
107.08595	2.0
109.02883	1.8
109.06516	1.2
109.10141	0.8
117.07007	2.7
119.08594	10.8
120.45202	0.8
121.10165	2.3
123.11697	0.9
127.03910	2.1
129.06955	0.7
131.08542	6.1
132.02304	0.6
133.10124	2.3
135.08083	2.3
135.11688	2.5
137.06001	1.1
144.09348	1.7
145.04988	1.3
145.10138	1.4
157.10127	1.9
159.02950	1.0
159.11702	60.6
163.03894	2.1
163.11176	1.8
163.30153	0.7
169.12219	0.7
169.34012	0.6
171.80067	0.7
177.12759	100.0
177.46356	0.7
205.12254	11.7
205.15628	0.8
223.13304	21.2
223.16739	1.2
258.02557	0.7
286.37131	0.7
291.19550	1.7
452.46814	0.7
494.58572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01863	0.9
57.03426	0.5
57.07446	0.5
59.23595	0.4
64.34540	0.5
65.03943	1.8
67.05501	1.3
69.03436	2.6
69.51343	0.4
70.62540	0.8
70.62890	1.0
71.01311	0.5
71.04987	2.0
79.05500	1.1
79.08508	0.5
81.03421	4.1
81.07081	0.6
85.02913	5.7
85.06536	1.8
91.05453	0.5
93.03416	3.0
93.07056	0.7
97.02919	2.3
99.04459	1.1
105.07047	1.1
107.04964	1.3
107.08626	0.6
108.02090	1.1
109.02891	1.6
111.04465	2.4
119.04972	0.7
125.05998	2.9
127.03921	1.5
129.05479	0.6
130.64174	0.5
135.04420	1.3
137.05986	2.0
137.09631	1.1
141.05412	0.8
141.19206	0.5
145.02834	0.8
145.05042	0.7
145.62598	0.5
147.04428	2.0
151.03917	100.0
151.04979	5.6
152.04254	0.8
159.11702	0.6
163.03908	8.0
163.11150	1.0
169.04980	10.1
177.05392	0.5
205.12289	1.0
223.13307	1.3
295.08188	4.7
313.09210	8.4
451.19843	0.5
471.26376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.2
55.05464	1.9
57.03430	7.2
61.02926	3.8
67.05503	5.8
69.03433	22.4
69.07106	2.0
70.06606	3.5
70.70177	4.5
71.04994	17.4
73.02936	4.6
75.85741	2.0
79.05491	7.8
81.03430	16.1
81.07050	2.9
81.31611	1.9
83.04967	5.3
84.08166	2.3
85.02909	73.6
85.06554	3.0
88.61561	2.1
91.05479	6.6
95.04977	23.5
95.08620	5.7
97.02898	39.5
99.04461	7.6
103.03960	3.3
105.07034	7.5
107.04966	29.7
107.08590	3.7
109.02878	27.2
111.04467	5.0
111.08089	3.2
114.42216	1.9
119.04959	4.4
121.06528	6.2
123.04433	76.0
123.08064	3.7
125.02362	3.5
127.03922	34.9
129.05496	5.5
131.04936	4.6
133.02872	25.6
133.06512	2.2
135.04434	7.6
137.05992	5.5
141.09084	5.5
145.02870	4.9
145.04945	21.5
147.04419	26.8
151.03911	100.0
157.06450	2.4
157.86205	2.1
163.02556	4.0
163.03908	39.6
163.06039	2.7
164.07037	3.1
165.05461	3.9
169.04959	21.2
169.12207	2.4
185.09636	2.8
187.06042	11.3
223.13390	2.4
227.10782	4.2
231.06688	3.7
231.56322	2.2
233.10199	4.6
245.11719	8.9
267.08698	7.6
291.14352	8.5
293.46243	1.8
295.08078	10.5
296.16437	2.0
309.09705	2.9
309.15222	3.6
313.09052	6.3
353.48889	2.4
471.15530	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	471.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01876	1.7
55.05518	12.5
55.31413	0.8
57.03442	3.0
57.07082	3.7
59.04981	1.3
62.67847	1.0
67.05515	21.2
69.03444	5.3
69.07084	5.2
69.15640	8.3
70.06588	0.7
71.05003	12.9
79.05497	12.1
81.03442	8.4
81.07066	100.0
83.04969	1.5
83.08627	2.3
85.02916	12.9
85.06546	7.2
89.03931	2.2
89.06028	2.5
91.05480	3.3
93.07053	14.2
95.04998	6.5
95.08617	27.5
97.02923	5.3
97.06541	3.1
97.10181	10.6
99.04441	3.3
99.08089	1.6
105.07041	8.8
107.04960	1.3
107.08600	5.8
109.02899	6.4
109.06538	3.7
109.10166	3.5
111.08112	3.9
113.06042	1.2
117.03386	2.2
119.04941	0.9
119.08576	1.4
121.06544	1.1
121.10174	4.0
123.08102	10.1
123.11721	78.2
127.03938	11.8
129.05463	1.9
133.10155	6.1
135.04448	3.6
135.08118	1.1
137.05980	1.4
137.09636	3.3
139.11125	1.0
141.09103	5.6
141.12741	2.8
145.02850	2.5
145.04971	2.2
145.10161	1.0
147.04398	2.2
151.11211	17.6
155.10692	7.7
160.20467	0.8
161.05986	1.2
163.03926	28.9
167.10709	0.8
169.12259	53.6
187.13318	21.4
205.12222	1.0
223.13071	0.9
229.14345	1.6
231.10161	1.4
231.13858	1.0
249.11171	1.0
249.14922	1.2
277.14307	2.1
291.19907	0.8
295.15381	8.0
313.16486	10.6
319.19049	0.8
325.09103	1.7
331.13757	1.4
331.17551	22.3
453.24854	1.9
471.19116	2.4
471.26038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05508	14.9
57.07076	6.1
57.97877	2.1
65.16299	2.6
67.05505	23.2
69.03434	3.1
69.07068	17.3
69.35734	12.2
69.36147	5.9
71.04980	2.5
79.05492	23.4
81.07062	46.7
83.08613	8.9
85.06531	2.9
89.38896	2.2
91.05489	23.7
93.06489	4.3
93.07048	60.9
95.04970	3.8
95.08611	96.2
97.06529	8.2
97.10175	5.9
99.08089	4.6
105.07035	69.5
107.08595	100.0
109.06547	5.0
109.10168	55.8
111.08096	8.1
117.06999	11.7
119.08586	96.6
121.06493	3.4
121.10148	67.3
123.08069	6.9
123.11713	17.5
125.09625	27.0
128.06273	2.5
129.07039	3.0
130.07739	3.0
130.56902	2.4
131.08566	41.6
133.10135	77.9
134.10574	2.4
135.08075	4.6
135.11697	36.5
137.09615	2.8
142.07806	3.3
143.08572	12.3
144.09354	5.0
145.10124	74.4
147.08104	2.7
147.11694	34.5
149.09628	13.3
149.13258	22.4
151.11142	6.1
153.09096	4.8
157.10146	16.6
158.10899	4.4
159.08133	3.1
159.11700	70.6
161.09648	2.9
161.13261	50.0
163.03925	5.4
163.07567	4.0
163.11151	10.7
163.14854	17.4
169.10139	7.7
171.11636	12.0
172.12463	4.4
173.13277	36.7
175.14825	40.3
177.09096	8.4
177.12714	4.8
177.16367	19.1
179.14247	4.4
183.11684	5.9
185.13264	13.3
187.11234	3.2
187.14819	74.8
189.16411	57.6
191.14290	27.5
191.17955	27.9
193.15923	11.7
197.13329	6.1
199.14848	14.3
201.13078	4.1
201.16397	97.6
203.14258	4.6
203.17967	26.0
205.15904	17.8
205.19530	3.1
207.17474	20.5
211.14914	4.2
213.16400	17.9
215.14244	3.8
215.17928	29.6
217.15880	8.1
217.19518	5.0
219.17450	59.0
221.15352	11.8
225.16399	3.8
227.18001	9.0
229.15916	8.7
229.19527	10.2
231.17540	4.2
233.15413	4.7
233.18971	11.4
235.16905	15.3
237.18532	4.1
245.15410	22.9
247.16917	47.0
249.14882	5.9
249.18575	7.1
261.18594	17.8
267.21249	4.0
275.20114	5.1
281.22525	5.2
293.22696	2.9
311.23810	4.2
327.23041	11.7
329.24869	3.6
341.24753	7.1
389.32077	11.4
395.28986	2.8
395.33542	3.3
407.33170	62.1
409.35199	2.9
423.32620	3.8
425.34097	18.8
435.32611	44.6
453.33737	43.0
471.28726	3.5
471.34854	55.8
472.34732	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	471.3474
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
53.63919	3.7
55.05511	16.6
57.07067	5.6
58.24386	3.7
67.05508	26.0
69.07068	17.5
70.91016	13.4
79.05486	20.0
81.07066	43.1
83.08612	11.0
91.05466	32.7
93.07052	58.7
95.08616	100.0
97.06529	4.7
105.07046	61.9
107.08611	84.7
109.10163	41.6
111.08086	7.9
117.07035	11.2
119.08584	92.3
121.10144	56.6
123.11707	17.6
125.09642	28.9
131.08565	30.8
133.10143	69.2
135.11714	30.4
137.09604	5.0
143.08565	16.9
145.10153	61.8
145.11183	7.4
147.11711	39.1
149.09660	6.7
149.13275	24.9
153.09116	6.9
157.10129	17.7
158.50320	3.9
159.11711	67.6
161.09637	4.1
161.13248	31.3
163.03874	4.2
163.07455	4.0
163.14812	19.5
171.11667	16.6
173.13266	47.9
175.14832	35.8
177.09146	4.6
177.16408	25.1
183.11716	6.8
185.13319	8.2
187.14828	61.4
189.16389	56.0
191.14366	23.3
191.17982	18.7
193.15855	10.2
195.00375	4.5
198.79401	3.9
199.14836	17.7
201.16391	82.3
203.14246	8.4
203.17950	38.6
205.15916	31.0
205.19589	5.1
207.17407	5.8
211.14841	7.2
213.16417	23.0
215.18021	29.0
217.15756	8.0
219.17487	44.2
221.15399	8.7
229.15820	5.9
229.19591	6.4
231.17363	7.8
233.18939	4.3
235.17015	8.7
247.16978	31.4
249.18420	7.4
261.18503	15.2
281.22464	5.2
313.03018	4.0
327.23123	9.7
365.78723	4.4
379.33325	4.2
389.31845	12.4
407.33170	52.7
423.32629	11.3
425.34122	14.3
435.32645	29.6
441.33777	5.3
453.33716	55.4
471.34756	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05512	21.3
57.07071	10.2
64.04572	3.7
67.05508	26.0
69.07085	18.8
69.79694	14.9
69.80114	6.9
71.04984	4.6
78.08846	3.3
79.05495	19.8
81.07059	66.2
83.04983	3.9
83.08619	12.6
85.02894	6.0
91.05488	16.8
91.36932	3.7
93.07067	31.3
95.08610	100.0
97.06522	4.6
97.10165	5.1
98.21420	4.8
105.07040	45.3
107.08601	74.0
109.10152	49.6
111.08084	5.3
111.11700	4.5
117.07036	12.4
119.08582	84.7
121.10138	48.1
123.08097	5.6
123.11705	53.2
129.07065	7.3
129.78922	4.1
130.30841	4.2
131.08607	20.2
133.10132	72.3
135.11700	29.7
137.13255	35.3
143.08562	9.2
145.10109	44.1
145.11012	4.4
147.11688	33.6
149.09590	4.3
149.13268	20.4
157.10092	25.6
159.11710	43.4
161.13278	25.4
163.03929	11.2
163.07498	5.3
163.14828	13.3
171.11720	19.2
173.13240	28.9
175.14828	40.3
177.09059	4.8
177.16394	22.0
179.17975	11.7
183.11746	9.2
185.13310	13.7
187.14854	58.3
189.16408	27.2
191.17957	12.9
193.15862	8.8
197.13329	6.6
199.14809	20.4
201.16383	60.6
203.17963	16.8
205.15874	10.2
211.14781	4.4
213.16411	16.3
215.17992	23.3
217.15881	5.9
219.17412	29.2
227.17894	4.8
229.19452	7.6
233.19115	5.4
235.16949	14.3
237.18449	11.0
241.19592	6.5
247.17000	36.3
249.18626	4.1
253.19559	6.0
257.15225	5.2
259.16937	10.5
261.18472	4.7
311.23605	7.9
378.76529	4.1
389.31985	16.6
407.33090	33.8
425.34122	29.9
435.32556	64.3
437.33710	6.9
453.33899	36.2
471.35239	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	471.3472
Annotation	Enoxolone
Peak:m/z	Relative Intensity
55.05508	1.9
57.07079	0.3
59.04964	0.3
67.05507	1.8
69.03448	0.3
69.07079	1.9
69.91967	0.6
69.92361	0.9
79.05489	0.9
81.07058	3.3
83.05002	1.7
83.08620	0.9
91.05466	1.4
92.52235	0.3
93.07060	4.0
95.04970	0.8
95.08613	7.3
97.06525	0.8
97.10221	0.5
98.21464	0.4
105.07032	5.0
105.84452	0.3
107.08598	7.2
109.06535	0.8
109.10156	3.6
111.08096	0.8
119.08592	7.2
121.06522	0.5
121.10152	4.2
123.08052	0.5
123.11729	1.9
125.09621	0.4
129.07054	0.3
131.08588	1.3
133.10123	4.5
135.08063	1.0
135.11693	5.0
137.13264	0.7
137.47713	0.3
139.07533	0.4
139.11153	0.5
141.07043	0.7
143.08540	1.5
145.10138	2.0
147.08054	0.6
147.11694	2.9
149.09651	1.0
149.13292	1.4
151.11169	0.3
153.09122	0.8
155.08583	1.0
157.10120	1.7
159.08069	0.5
159.11725	1.9
161.09622	2.6
161.13295	1.8
163.11185	0.4
163.14827	0.7
169.10104	0.6
171.11739	1.1
173.09651	0.5
173.13275	2.5
175.11203	0.7
175.14845	4.8
177.12811	0.4
177.16423	1.4
179.14319	0.4
182.10985	0.4
183.11742	0.9
185.13322	0.6
187.11241	0.7
187.14796	1.9
187.63719	0.3
189.12808	0.6
189.16402	10.2
191.17998	1.5
193.15967	0.4
197.13263	1.5
199.14854	2.4
201.12793	0.6
201.16414	1.0
203.14287	0.3
207.17525	1.0
211.14845	0.7
213.16432	1.1
215.14392	1.4
215.18089	0.9
217.15898	4.7
225.16382	0.3
227.17975	1.2
229.15923	0.5
229.19560	0.6
231.17438	0.5
235.16922	5.2
241.19591	0.7
243.21097	0.4
245.19113	0.5
253.19519	1.7
255.21214	0.4
257.19049	0.8
261.14969	0.4
261.45868	0.3
263.75757	0.3
267.21194	0.9
271.20599	3.2
285.22302	0.3
303.19501	0.3
317.21039	0.7
361.56287	0.3
402.24689	0.3
407.33115	1.1
425.28568	0.2
425.34109	6.3
435.32898	0.6
453.33777	0.5
471.34741	100.0
472.35043	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	471.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.2
56.96555	4.3
57.03424	3.1
57.07065	4.8
67.05504	13.6
69.03420	2.4
69.07066	19.3
69.84501	4.1
69.84910	6.6
71.04978	4.3
71.08621	2.2
79.05501	17.4
81.07059	39.3
83.04979	5.4
83.08615	12.1
85.02888	4.4
91.05487	16.7
93.07050	38.3
95.04969	2.4
95.08611	63.5
97.02857	3.7
97.06522	5.0
97.10135	3.8
99.08093	2.9
100.04195	2.4
105.04533	2.7
105.07037	47.4
105.85767	2.0
107.04918	2.7
107.08601	67.7
109.06523	5.4
109.10164	35.6
111.08083	3.2
117.07003	7.5
118.76486	2.1
119.08591	78.4
121.06513	4.9
121.10144	59.7
123.08063	5.1
123.11704	15.5
123.63719	2.0
125.09663	2.6
129.06990	3.4
131.08571	33.4
133.10144	63.4
135.08029	5.4
135.11697	34.7
137.09627	4.2
137.13289	3.6
143.08513	11.8
144.09361	2.6
145.10135	65.2
147.08084	2.6
147.11681	38.9
149.09604	10.1
149.13300	17.0
151.11183	4.1
157.10117	9.8
159.11707	41.5
161.13249	28.9
163.03893	8.1
163.07541	5.6
163.11172	9.7
163.14824	18.0
165.09134	3.0
165.12712	4.7
171.11707	10.8
172.12349	2.7
173.09714	3.6
173.13295	25.4
175.07759	2.2
175.11172	4.5
175.14830	27.6
177.09076	10.5
177.12787	3.1
177.16412	22.1
183.11609	2.5
185.13306	7.0
187.14835	45.2
189.16380	39.6
191.10709	3.2
191.17957	23.6
195.13863	3.5
199.14836	14.8
201.16388	100.0
203.14273	4.8
203.17982	25.8
205.15877	62.7
205.19473	2.6
207.17441	8.4
213.16354	5.8
215.18047	13.5
217.15843	5.5
217.19608	3.8
219.17455	23.0
221.15356	2.7
223.16963	10.3
227.17921	5.1
229.15887	6.6
229.19640	6.2
233.18979	4.5
235.16974	9.4
237.18481	7.2
241.19478	6.2
243.21016	2.8
245.15511	2.5
247.16960	48.9
253.19580	2.7
255.21101	6.1
259.16702	2.4
259.20636	5.4
261.18515	2.2
263.16492	3.4
267.08939	10.4
277.21454	3.5
285.10074	13.0
287.20041	3.3
301.21664	2.9
311.23648	4.3
324.11670	10.8
329.24652	3.9
389.31958	7.0
407.33035	33.4
425.34207	25.1
425.39700	4.0
435.32623	19.5
453.33423	10.0
471.34982	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	471.3472
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
53.03944	5.9
55.01863	3.2
55.05510	13.8
57.03439	5.8
57.07064	4.5
67.05509	27.4
69.03427	9.2
69.07064	22.1
69.32858	8.8
69.33297	14.7
71.05000	18.7
73.02913	3.4
74.40826	2.6
79.05497	24.0
81.03419	4.9
81.07056	54.6
83.04968	7.2
83.08606	11.0
83.54095	2.6
85.02901	31.0
85.06547	3.7
89.03902	4.0
91.05477	28.0
93.07047	48.8
95.04967	8.8
95.08611	100.0
97.02896	6.4
97.06527	9.9
97.10181	5.5
98.20705	4.9
99.04493	3.0
99.57338	2.6
105.01888	3.9
105.04485	3.0
105.07031	56.0
107.04925	3.3
107.08604	84.3
109.02895	5.4
109.06509	8.0
109.10170	49.4
111.08065	8.7
117.03410	3.7
117.07018	10.6
119.08594	81.4
121.06496	3.9
121.09345	4.2
121.10149	57.5
123.08054	8.5
123.11716	20.2
125.09631	18.7
127.03934	7.2
129.05467	5.7
129.06992	6.0
131.08568	42.3
133.10138	62.8
135.04425	9.4
135.08035	4.8
135.11696	31.3
137.05960	11.1
137.09628	7.6
137.13255	5.0
141.06924	2.6
142.07773	3.0
143.08572	11.8
144.09283	3.5
144.67674	3.0
145.02829	7.6
145.04979	3.6
145.10133	63.2
147.04453	3.1
147.11696	44.0
149.09653	7.2
149.13225	24.5
151.11214	4.8
153.09131	3.2
155.08534	3.7
156.09387	3.5
157.10146	22.4
159.08051	3.5
159.11720	49.4
160.12135	3.3
161.09628	3.9
161.13272	32.3
163.03925	69.5
163.11145	5.2
163.14815	15.4
165.09099	8.6
169.10118	5.2
171.11667	16.0
172.12447	3.8
173.09543	3.8
173.13263	44.5
175.07565	3.0
175.11188	3.7
175.14842	42.7
177.12741	6.2
177.16389	35.3
185.13268	12.3
187.14830	61.2
188.15158	3.5
189.12735	5.4
189.16379	32.2
191.14304	58.2
191.17918	13.5
193.15904	5.9
197.13304	4.7
199.14824	25.1
201.16386	52.6
203.14388	24.8
203.17963	52.5
205.12289	3.0
205.15869	51.6
205.19450	5.6
207.17545	6.8
213.16402	22.4
215.14484	3.5
215.18025	15.4
217.15831	5.9
219.17476	21.4
221.15366	17.5
223.16948	18.6
227.17949	5.0
229.15923	6.5
229.19482	5.3
231.17538	5.8
233.19067	4.0
235.17023	9.2
239.18011	4.0
241.19536	5.7
247.16919	16.9
249.18546	8.6
261.18610	7.5
267.21115	3.6
281.22607	3.9
293.22803	3.9
298.46375	2.8
311.23611	3.1
327.23349	4.6
353.20328	2.6
379.33813	3.6
389.32031	13.8
395.33099	11.4
407.33044	39.1
423.32507	11.9
425.34109	19.2
435.32776	30.4
441.33673	7.4
453.33585	52.7
459.17941	3.4
471.35165	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	471.3477
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
53.03943	3.3
55.01866	2.3
55.03131	2.0
55.05512	17.6
55.64363	2.4
57.03432	4.9
57.07092	3.2
59.29617	2.0
59.31540	2.3
59.66452	2.1
67.05512	29.9
69.03427	9.0
69.07076	18.4
69.44470	7.2
69.44902	9.8
69.68468	2.1
71.05017	10.4
71.44669	2.2
79.05493	23.5
81.03413	8.6
81.07063	49.2
83.05007	4.2
83.08624	9.5
85.02918	18.8
85.06543	4.4
86.09740	3.3
89.48970	2.2
91.05486	24.3
93.07054	52.0
95.04950	4.7
95.08620	100.0
97.02917	6.5
97.06528	9.1
97.10180	8.5
99.04449	2.7
99.08096	2.9
103.05523	2.9
105.01880	4.5
105.07044	70.7
107.08606	83.1
109.02884	4.9
109.06527	6.4
109.10169	52.0
111.04447	2.4
111.08106	6.6
117.07030	10.2
119.08591	80.7
121.06486	4.3
121.10152	57.3
122.10542	2.2
123.08070	6.8
123.11732	17.3
125.09653	18.8
127.03921	9.6
129.07042	7.0
131.08586	39.0
133.10144	71.8
135.04457	5.9
135.08055	8.0
135.11710	25.5
137.05981	8.0
137.09607	7.9
137.13313	3.0
137.97510	2.1
139.07613	3.1
143.08549	16.5
144.09320	3.0
145.10139	68.9
147.11688	45.7
149.09674	6.7
149.13283	26.1
151.11186	4.7
153.09094	5.4
155.08511	2.7
157.10153	19.1
159.11713	55.2
161.09604	5.4
161.13278	28.7
163.03906	33.1
163.11197	7.5
163.14888	14.7
163.95320	2.4
165.09129	7.2
169.10107	3.3
170.10930	3.8
171.11771	14.2
172.12395	2.3
173.09630	3.0
173.13274	46.4
175.11244	5.1
175.14850	44.2
177.09190	5.3
177.12730	4.4
177.16393	32.6
183.11731	4.5
185.13271	11.5
187.11324	2.8
187.13170	4.8
187.14824	66.1
189.12727	3.0
189.16400	40.0
190.72125	2.4
191.14336	48.3
191.17964	17.4
193.15967	5.3
196.03519	2.7
197.13367	4.8
199.14865	18.6
201.12677	4.8
201.16422	61.4
203.14366	15.6
203.17972	49.0
205.15907	58.4
205.19525	4.0
207.17416	7.0
209.13261	2.4
211.14804	5.6
213.16414	20.5
215.17976	18.1
217.15929	5.6
217.19479	2.4
219.17424	19.9
221.15279	10.7
223.14935	2.3
223.17000	8.0
227.18005	3.9
229.16011	5.4
229.19572	6.2
231.17465	5.9
233.18903	3.3
235.16895	10.3
241.19588	5.1
243.21254	2.4
247.16940	23.9
249.18599	7.9
261.18558	9.0
275.20416	3.0
283.24225	4.3
311.23709	3.5
327.23169	5.8
352.98990	2.4
377.31778	3.5
389.31848	13.5
395.33594	10.5
407.33160	44.4
423.32336	13.4
425.34238	18.3
435.32654	27.0
441.33737	3.7
453.33777	46.1
471.18906	5.0
471.25562	20.4
471.35071	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	472.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.5
55.01869	11.6
57.03451	7.7
61.02934	7.0
67.05495	2.1
68.99775	3.2
69.03432	32.3
71.01363	1.9
71.04980	8.1
73.02915	10.7
75.00723	1.5
76.84130	1.3
79.05492	1.9
81.03415	33.7
81.07046	1.5
85.02908	100.0
85.06548	1.9
87.00314	2.4
87.00828	42.8
87.04454	2.9
91.03954	3.7
95.04951	2.1
97.02897	59.2
97.03535	3.1
99.04460	20.1
99.89420	1.3
101.02388	1.4
105.01868	65.5
105.03384	27.5
107.08559	1.5
109.02887	36.6
109.10155	1.5
117.01849	6.4
119.08534	1.6
123.00761	1.6
123.04421	3.9
124.81083	1.4
127.03922	94.4
129.01810	2.8
133.10120	5.7
134.10477	2.9
137.09592	3.2
138.09946	2.4
145.04968	62.3
147.02905	3.4
159.02890	22.5
163.03870	4.0
164.04277	2.4
177.03943	2.0
178.16032	1.4
187.06079	1.5
187.27493	1.4
189.09103	4.9
191.14261	2.1
192.14774	1.6
194.17484	1.4
209.58299	1.4
211.09654	3.2
213.03940	5.5
231.05000	38.6
249.06105	11.7
297.70319	1.7
315.10666	4.7
419.40982	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	1.2
70.90713	1.5
73.34019	0.6
79.05496	39.2
81.07057	8.9
83.04969	1.3
85.02898	1.5
86.04753	0.6
91.05476	3.4
93.07027	1.0
95.08613	1.9
99.07003	0.6
103.05484	3.3
105.07043	1.7
107.04946	1.1
107.08594	84.9
109.06557	0.7
119.06091	0.8
120.08106	49.7
121.08432	1.2
125.09634	24.2
131.04900	0.9
132.67484	0.7
143.10674	100.0
144.10872	0.7
161.11732	25.2
161.13098	1.2
166.08643	15.2
187.55695	0.6
194.51598	0.6
271.38513	0.7
289.16370	0.9
307.17551	1.3
492.37653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.2
61.02927	0.7
67.05506	0.7
69.03415	2.6
69.15042	1.2
69.15443	4.0
70.55393	0.5
73.02896	0.7
79.05495	1.2
81.03412	0.9
82.99857	1.6
85.02914	5.7
86.99352	0.7
91.05486	1.1
97.02892	2.6
98.97588	7.3
101.00883	9.4
105.07025	0.9
110.97581	2.1
113.00871	2.3
115.02421	1.0
116.98638	2.0
119.01923	8.1
119.04941	2.4
121.06502	0.7
124.99133	0.8
127.02445	1.6
127.03905	1.7
128.98607	0.8
129.04002	0.8
131.01909	2.5
133.03481	1.2
137.05963	0.8
139.02357	0.9
143.00153	1.3
143.01906	15.4
145.03462	3.2
145.04927	1.4
147.04419	5.7
153.03973	1.8
155.01871	2.4
155.05536	1.3
157.03448	1.6
158.99619	2.9
161.02992	10.2
161.04332	1.5
163.02487	0.7
163.06059	6.1
165.04269	0.8
165.05428	2.9
169.03412	1.1
170.99632	1.3
171.05029	1.8
173.03018	1.9
175.03941	1.8
177.00729	1.7
177.03989	1.4
179.05534	2.2
181.03535	3.8
181.07060	3.2
183.05023	0.9
185.02979	2.0
185.04456	1.0
189.00798	1.2
189.04028	4.1
193.04997	14.4
193.06735	1.0
195.05019	4.6
197.02921	0.9
197.06636	2.3
199.04550	3.4
199.08224	1.3
200.04501	1.0
201.00674	1.1
203.02264	1.0
203.04008	7.0
203.05685	0.8
205.03387	3.8
205.07176	1.3
207.05031	13.5
209.06606	1.5
219.01752	3.3
219.05003	1.0
221.03055	1.2
221.04994	7.6
221.06662	1.2
223.04576	5.9
223.08170	2.4
225.06067	4.9
229.03612	1.4
231.05080	2.3
233.03055	4.7
233.06604	1.4
235.04486	1.8
237.02904	1.3
237.06149	1.5
241.05588	2.4
243.07219	2.4
247.04539	6.0
249.06154	3.6
251.04167	13.3
253.05647	1.2
257.02951	0.9
259.04691	1.1
261.06131	0.7
265.05676	3.2
267.07187	2.8
268.07150	0.6
269.05133	2.9
272.06619	0.9
275.04022	8.2
277.05554	0.9
279.03845	1.7
291.07156	0.7
293.05127	36.4
303.07181	1.4
307.06729	0.7
309.08310	0.9
311.06137	100.0
311.69955	0.7
312.06454	2.6
321.08182	1.2
323.06668	0.7
325.07700	11.0
327.03809	0.8
329.07239	12.9
330.07489	0.8
334.07776	2.3
339.09271	0.9
343.08740	2.0
351.09241	3.9
353.07208	70.4
354.07446	1.8
362.09976	0.9
369.10431	5.6
371.08340	8.2
394.09708	0.7
395.08292	3.5
413.09341	20.3
431.10385	11.4
473.09732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41774	0.6
56.96569	3.0
61.02914	0.6
69.03433	1.5
71.51533	0.8
73.02908	0.6
79.05484	1.6
82.99848	1.0
85.02912	4.0
91.03968	0.7
91.05483	1.2
93.07044	0.9
97.02891	1.9
98.97584	8.7
101.00884	9.3
103.71934	0.6
105.07020	1.3
107.08584	1.2
109.06520	0.9
110.97511	1.4
112.43631	0.7
112.99121	1.0
113.00887	1.5
115.02470	0.6
116.98603	1.2
119.01941	8.1
119.04942	3.5
121.06506	1.4
126.97118	0.6
127.02424	2.1
127.03919	1.3
128.47800	0.6
128.98589	0.9
129.03944	0.9
131.01903	2.6
132.10178	0.7
133.03438	1.2
137.05965	0.9
143.01898	14.6
145.03510	3.5
145.04967	1.6
146.99603	0.7
147.04362	5.4
147.28418	0.6
152.05716	0.9
153.03972	1.8
155.01855	2.5
155.05511	1.4
155.69458	0.6
157.03491	1.4
158.99673	3.7
161.02975	11.5
161.04338	1.3
163.03940	1.7
163.06064	6.0
164.05991	0.8
165.03996	0.6
165.05493	1.8
167.01945	0.7
170.99695	0.8
171.05057	2.5
173.02974	1.6
173.06628	1.0
175.03935	2.1
177.00691	1.9
177.03960	1.1
179.05550	1.8
181.03445	3.8
181.07060	4.2
183.05037	0.9
185.02966	2.0
189.04008	4.2
191.03787	0.8
193.04961	14.6
195.04993	4.7
197.01157	1.2
197.02887	1.0
197.06596	2.1
199.04546	3.8
199.08197	2.2
200.04506	0.9
201.04118	0.7
203.03989	7.9
203.05612	0.9
205.03455	3.9
205.07130	0.9
207.05022	12.6
209.06612	0.8
211.02852	1.5
213.04289	0.8
215.02231	0.9
215.04083	0.6
219.01796	1.9
219.05147	0.7
221.04962	6.9
223.04506	5.3
223.08096	1.2
225.06084	5.2
229.03578	0.8
231.05011	1.9
233.02951	3.8
233.06642	0.9
235.04625	2.7
237.02768	1.0
237.06076	1.4
241.05589	2.0
243.07190	2.6
247.04584	6.2
248.59094	0.9
249.06142	2.8
251.04074	10.5
253.05746	1.0
257.02988	1.7
259.04666	1.2
265.05737	3.4
267.07172	2.8
269.05118	2.2
271.05075	0.7
275.03976	7.5
277.05606	1.3
283.05063	0.9
285.08582	0.7
291.07129	1.1
293.05072	30.8
294.05328	1.0
303.07318	1.6
307.06567	1.0
309.08051	1.3
311.06119	100.0
312.06351	2.6
314.63187	0.7
325.07727	11.1
329.03378	0.9
329.07208	13.1
334.08084	1.4
343.08640	2.0
351.09280	4.3
353.07175	73.6
354.07309	1.4
369.10419	4.9
371.08267	8.2
373.08078	1.3
394.10089	0.9
395.08182	4.0
397.11838	0.9
413.09320	20.4
414.09824	0.9
431.10312	12.3
473.10526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01873	1.5
55.05515	8.6
55.92742	0.9
55.95017	0.8
57.03445	2.3
61.02942	1.3
65.03935	1.3
67.05505	6.6
69.03436	8.4
69.07056	1.9
70.06582	2.6
71.05003	4.1
71.52455	1.1
73.02901	1.7
79.05490	4.6
81.03426	5.6
81.07057	5.6
83.04985	2.7
84.08147	0.9
85.02907	18.0
85.06548	1.8
86.09702	1.5
87.00835	6.2
91.05470	8.0
93.07050	9.7
94.38570	0.9
95.04972	5.7
95.08607	9.8
97.02887	5.6
97.06542	5.3
99.04467	6.0
105.01873	7.9
105.07031	20.6
107.07878	1.5
107.08599	24.7
109.02902	4.8
109.06510	6.5
109.10156	13.1
110.53483	0.8
111.08112	1.9
112.54967	0.9
117.06999	1.5
119.04921	1.8
119.06123	0.9
119.08585	36.5
121.06520	6.4
121.10123	6.3
123.08070	34.9
123.11734	1.0
127.03928	11.9
128.06210	1.2
129.07007	1.1
131.08545	7.4
133.06490	2.9
133.10147	6.3
135.08066	7.9
135.11696	3.1
137.06100	1.3
137.09622	48.3
141.06952	1.0
143.08585	3.3
144.09319	3.1
145.04933	4.7
145.10126	3.6
147.04405	5.9
147.08043	6.1
147.11684	27.1
149.09610	6.1
149.13295	1.3
151.07513	2.0
153.09084	1.8
156.09355	4.7
159.02901	1.3
159.11703	17.6
161.09616	2.8
161.13272	19.5
163.03917	2.1
163.11182	1.7
165.12737	1.0
167.10651	4.5
171.11707	5.2
174.10443	1.0
177.12755	13.0
179.14336	1.5
189.12746	17.1
195.13890	3.0
207.13805	100.0
208.14145	1.2
225.14868	17.3
225.16914	1.3
231.05063	1.6
294.58929	1.1
311.19644	0.9
473.15878	1.3
473.23456	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	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01846	2.0
55.05512	3.7
55.93071	1.7
57.07064	4.4
57.92784	1.7
65.95377	1.6
67.05512	15.1
69.03416	10.2
69.20269	9.5
69.20693	8.8
70.92774	1.8
71.05010	2.4
79.05489	3.5
81.03429	5.8
81.07048	5.6
83.04971	2.7
83.88436	1.5
85.02914	18.1
85.06543	15.3
87.00841	5.2
91.05466	5.4
93.07030	11.6
95.04989	3.2
95.08609	84.9
97.02897	6.1
99.04462	4.0
105.01876	9.3
105.07070	10.7
107.08600	26.5
109.02869	8.4
109.06522	6.2
109.10172	5.6
113.05984	11.8
119.08583	18.2
121.06512	5.9
121.10157	12.8
123.08069	34.2
127.03944	12.7
129.78355	1.7
131.08562	5.0
133.10156	5.0
135.08113	2.6
135.11725	14.3
137.09601	13.1
145.04947	4.1
147.11691	15.8
149.09630	39.8
149.13226	3.0
151.07585	3.0
151.14888	3.4
161.13272	20.0
163.11211	4.9
165.09100	2.4
165.12776	10.3
167.10677	19.6
171.11696	5.7
174.10388	2.6
177.12772	15.9
179.14288	3.4
189.12747	36.6
207.13811	100.0
225.14867	28.3
231.04958	2.2
286.29962	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	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06114	2.0
53.03950	3.3
53.42105	2.1
55.01860	3.3
55.05512	7.8
57.07049	2.4
67.05506	8.5
69.03427	13.9
69.07066	7.4
70.06586	3.9
71.04993	7.4
71.43257	2.6
73.02932	4.1
79.05504	7.4
81.03426	15.4
81.07057	8.3
81.83569	2.5
83.04958	2.3
85.02911	21.5
85.06546	2.7
86.09679	4.9
87.00828	9.0
91.05463	11.0
93.07056	11.8
95.04982	5.2
95.08611	62.3
97.02896	10.6
97.06525	5.4
99.04462	7.4
103.05466	3.1
105.01844	4.7
105.07036	27.2
107.04964	3.9
107.08614	16.9
109.02888	12.3
109.06522	10.4
109.10159	7.7
117.03461	2.1
117.07015	2.7
119.04955	2.3
119.08587	38.2
121.06463	2.8
121.10131	17.6
122.05951	2.2
123.08079	16.2
123.11748	2.2
125.09624	2.6
127.03925	18.9
131.08588	6.8
133.06509	9.0
133.10152	22.4
135.08052	5.1
135.11696	59.6
137.06000	3.3
137.09636	13.6
137.13318	4.8
143.08592	2.2
145.04941	3.7
145.10117	6.1
147.04379	3.1
147.08067	7.0
147.11705	30.4
149.09622	24.4
149.13255	3.4
151.07538	9.8
155.10732	3.4
156.09367	4.5
159.02911	5.5
159.08034	2.6
159.11736	3.8
161.09669	3.7
161.13263	77.6
163.03931	8.6
163.11200	4.0
164.04286	3.1
165.09116	4.0
165.12788	3.3
167.10687	2.9
171.11670	6.7
174.10423	5.2
175.07524	3.9
177.12785	6.4
179.14340	7.8
182.91516	2.0
189.12759	69.9
207.13800	100.0
219.02078	2.5
225.14873	15.0
227.17300	2.1
345.08121	2.2
454.53363	2.2
473.19980	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	473.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
55.01885	1.5
55.05507	11.7
57.03434	2.5
57.07068	3.9
63.43155	1.3
63.45456	1.4
67.05507	19.6
69.03450	7.6
69.07063	4.6
69.83838	7.2
71.04996	14.0
79.05494	19.4
81.03412	8.9
81.07057	100.0
83.08630	4.1
85.02901	15.9
85.06549	8.1
87.00832	2.3
88.04828	1.4
91.05480	5.6
93.07047	9.8
95.04970	8.7
95.08614	20.5
97.02911	5.6
97.10175	11.2
99.04458	14.1
99.08087	3.0
105.07027	7.0
107.08592	30.6
109.02869	7.9
109.06522	6.0
109.10158	4.2
111.04456	2.0
111.08073	4.6
119.08624	2.8
121.06466	1.5
121.10145	5.2
123.04414	1.8
123.08082	9.1
123.11708	72.3
125.09635	9.5
127.03917	17.2
133.10124	5.9
135.08090	2.1
136.61394	1.4
137.06026	2.2
137.09618	1.8
139.11221	1.9
141.06946	1.5
141.09070	2.0
141.12761	4.8
143.08702	1.4
143.10692	12.4
145.04961	1.9
146.06044	1.7
149.09671	4.2
151.11194	14.9
151.66924	1.5
153.08958	1.3
164.54796	1.3
165.09120	4.8
167.10690	5.6
169.12238	53.9
174.02336	1.3
174.05600	1.3
180.57521	1.4
183.13802	4.3
187.13301	22.0
191.10681	2.6
207.13812	7.6
225.14854	19.6
229.14369	1.8
231.32823	1.6
233.11722	2.7
249.14874	7.4
251.12708	1.4
255.03668	1.3
277.14377	2.0
295.15414	9.8
299.20276	1.6
313.16470	7.1
331.13757	2.7
331.17505	34.2
340.10474	1.4
437.25143	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
54.20111	1.1
55.05514	9.5
57.03426	1.7
57.07076	2.4
59.05009	1.7
67.05508	19.1
69.03429	6.4
69.07076	5.8
70.72816	0.9
70.73223	1.1
70.73563	2.2
71.05004	9.8
73.70017	0.9
79.05054	0.6
79.05495	18.2
81.03444	6.8
81.07060	100.0
83.08611	2.5
85.02909	7.8
85.06545	5.8
89.05994	1.7
91.05457	3.9
93.07045	10.7
95.04955	5.9
95.08605	18.0
97.02871	3.0
97.06499	1.6
97.10192	9.5
97.10797	1.3
99.04453	1.5
99.08088	2.0
105.07040	5.9
107.08601	24.9
109.02898	8.4
109.06497	3.9
109.10127	3.5
111.08064	2.8
117.07053	1.2
119.08590	1.5
121.10139	3.8
123.08109	2.2
123.11710	71.0
125.09647	4.2
127.03929	11.6
128.06244	1.0
131.08574	2.2
133.10146	5.3
135.08131	1.1
137.09816	1.0
141.12741	3.1
143.10674	12.4
147.07974	1.0
149.09602	1.9
151.11198	13.9
167.10596	1.2
169.12245	56.0
175.14874	1.5
187.13295	20.0
188.14067	1.0
188.53059	1.0
207.13808	2.3
215.10518	1.2
229.14372	1.5
233.11723	3.6
239.23799	0.9
251.12854	1.2
253.55884	1.0
269.13797	1.2
277.14297	3.1
295.15381	11.9
301.16669	1.0
313.16644	6.1
331.17529	38.2
331.21500	1.8
376.99112	1.0
385.16440	1.0
455.26175	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	473.3631
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
55.05511	8.5
67.05508	8.4
69.07063	11.4
71.00601	3.4
71.00937	3.9
79.05499	8.2
81.07060	23.7
83.04958	2.6
83.08629	6.8
91.05479	4.9
93.07057	19.9
95.08614	44.0
97.10172	3.3
105.07030	23.0
107.08601	41.2
109.10171	22.9
117.07046	2.8
119.08588	35.1
121.10160	36.0
123.11703	7.9
131.08603	5.8
133.10149	36.0
135.11711	23.0
145.10168	14.8
147.11694	26.8
149.13287	19.1
159.11743	12.7
161.13263	15.2
163.11212	9.5
163.14836	15.5
167.10805	3.4
173.13254	5.4
175.14853	21.9
177.12843	3.6
177.16388	23.9
179.14333	3.2
185.13316	2.2
187.14844	21.5
189.16400	50.9
191.17967	12.7
201.16452	12.2
203.17967	90.1
205.15909	48.0
205.19582	7.2
207.17447	28.4
213.16463	3.4
215.17972	4.1
217.19446	2.9
219.17500	4.0
223.16862	6.3
229.19566	2.8
231.17566	2.5
235.17093	2.7
247.16948	4.3
249.18523	14.5
391.33566	5.3
409.34683	100.0
411.36499	2.4
427.35675	11.1
437.34317	25.6
455.35040	6.9
463.27435	2.4
473.35620	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	473.3626
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
55.05515	3.9
57.07080	1.9
60.02928	1.6
67.05506	7.4
69.07063	7.9
69.43301	5.4
69.43729	7.8
79.05499	8.6
81.07067	9.9
83.08630	6.6
91.05475	6.7
93.07058	11.4
95.08611	32.2
97.10217	2.4
105.07028	14.3
106.10173	1.8
107.08606	41.5
109.10173	14.4
119.08591	23.7
121.10150	27.6
123.11713	4.7
128.63408	1.8
131.08604	5.3
133.10135	21.7
135.11693	13.2
141.40172	1.8
145.10124	15.4
147.11688	18.2
149.13280	8.7
153.09160	2.0
157.10081	1.7
159.11681	7.1
161.13243	12.2
163.11203	20.3
163.14832	10.3
165.82216	1.7
171.11732	2.4
173.13263	5.3
175.14828	14.6
177.16403	23.4
179.14349	4.0
187.14871	16.8
189.16388	43.1
191.17960	4.0
201.16385	7.2
203.17976	36.1
205.15887	100.0
205.19583	7.1
207.17439	20.4
215.18022	2.4
229.19389	2.1
243.17612	2.1
247.16968	3.3
249.18520	10.3
295.24133	3.0
313.25244	8.8
391.33429	2.3
409.34680	39.1
427.35733	6.6
437.34149	16.5
455.35431	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	473.3629
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
53.03942	0.6
55.05502	2.4
57.07072	1.4
65.03915	0.5
67.05506	4.0
69.07065	4.0
69.25122	3.8
79.05489	3.7
81.07059	8.6
81.24477	0.4
81.35612	0.5
83.08614	3.2
85.06527	0.6
91.05465	4.0
93.07043	9.0
95.04952	0.5
95.08609	15.6
97.06491	0.6
97.10165	1.1
99.08041	0.4
105.07027	9.2
107.08595	16.5
109.06506	1.1
109.09482	0.6
109.10165	8.2
111.08073	1.6
111.11705	0.4
111.84322	0.4
117.07014	1.2
119.07712	0.8
119.08581	16.4
121.06584	0.8
121.10143	8.9
123.08092	3.5
123.11705	5.0
129.06981	0.5
131.08575	4.5
133.10136	13.5
135.08130	0.9
135.11690	12.8
137.09662	0.5
137.13239	1.6
139.11119	0.6
143.08556	1.3
145.10126	7.1
147.11685	11.1
147.12816	0.9
149.09624	0.8
149.13275	5.7
151.11185	1.6
157.10136	1.6
158.10791	0.6
159.11697	6.5
161.13261	4.9
163.11223	0.4
163.14809	4.5
163.21518	0.4
165.12741	0.7
171.11711	1.7
173.13234	4.3
175.14830	5.1
177.12791	0.6
177.16399	3.2
179.10704	0.7
179.14221	0.8
185.13289	2.0
187.14812	6.8
189.16383	14.2
191.17984	2.4
197.13310	0.7
199.14841	3.5
201.16376	17.8
203.17944	10.2
205.15862	6.8
205.19624	0.4
207.17436	14.9
211.14766	0.6
213.16409	2.2
215.17923	4.9
217.19524	1.1
219.17401	2.1
221.15398	0.7
221.19028	1.2
227.17966	1.0
229.19452	3.2
233.15424	0.9
233.19054	0.8
235.16940	0.9
241.19501	2.7
243.21130	2.1
247.16933	8.2
249.18507	0.6
251.16486	0.9
255.21075	6.0
257.22729	2.3
269.22699	2.4
287.20013	0.6
289.21667	0.5
299.20334	0.6
301.21628	3.8
303.23111	1.9
315.23242	2.2
331.26340	4.4
357.27921	3.7
391.33597	2.2
409.34656	5.6
427.35721	100.0
428.36029	1.6
437.34253	7.3
455.35138	4.8
473.36432	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	473.3632
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
52.36092	0.5
54.35641	0.5
55.01836	0.6
55.05509	1.9
55.42799	0.5
57.07089	0.6
59.05009	0.5
65.84382	0.5
67.05501	3.4
69.07067	3.2
77.58261	0.5
78.86382	0.5
79.05479	2.9
81.07063	8.9
83.08618	1.9
85.02853	0.5
85.06535	0.9
86.10556	0.5
87.69205	0.5
91.05473	2.7
93.07051	6.8
95.04959	1.1
95.08607	13.0
97.10178	0.9
98.20744	1.2
105.07029	7.0
107.08599	12.7
109.06521	1.9
109.10166	8.3
111.08086	1.2
111.11745	0.6
113.09686	0.6
117.07014	1.0
119.08593	10.0
121.06480	0.6
121.10152	9.3
123.08085	1.6
123.11686	2.5
125.09618	0.7
131.08583	4.6
133.10133	8.9
135.08055	1.4
135.11693	10.8
136.09810	0.4
137.09711	0.9
137.13318	0.6
141.76797	0.5
143.08569	1.2
145.10124	4.7
147.11691	10.3
149.09624	0.6
149.13281	6.6
151.11227	1.2
157.10104	1.1
159.11705	4.6
161.09624	0.7
161.13290	4.9
163.14841	6.3
165.12737	0.7
171.11746	1.1
173.13310	1.9
175.11249	0.9
175.14841	3.8
177.16406	4.7
179.14369	0.7
185.13257	1.3
187.14842	8.3
189.16388	14.5
191.17978	2.1
199.14862	0.8
201.16397	4.1
203.18015	1.8
205.15894	25.0
207.17447	15.3
213.16417	0.8
215.17909	3.3
217.19574	0.9
219.17366	2.3
227.18036	1.0
229.19589	1.9
235.20557	0.7
241.19550	0.8
255.21115	2.6
269.22705	1.4
275.24078	0.6
287.23755	1.2
291.23193	1.1
295.24371	0.5
321.68265	0.6
331.26361	0.5
391.33691	1.2
406.00925	0.5
409.34692	4.9
427.35757	100.0
428.36124	1.2
437.34387	1.1
455.36047	2.8
473.35767	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	473.3631
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
51.03658	1.1
52.10530	0.9
55.05510	3.5
56.96562	1.8
57.03441	1.3
57.68491	1.1
61.02920	1.7
67.05508	6.9
69.03439	1.2
69.07078	6.0
73.02918	1.2
79.05488	7.3
81.07068	13.8
83.08617	3.0
85.02905	2.5
91.05461	4.9
93.07056	12.8
95.08609	18.1
97.02876	2.2
97.06518	1.5
97.10158	1.5
105.07030	13.8
107.08598	20.5
109.10157	8.4
111.08102	1.6
111.11723	1.0
117.07053	1.7
119.07821	1.4
119.08594	13.9
121.06512	1.6
121.10154	16.4
123.08044	2.3
123.11723	4.8
131.08575	5.7
133.10133	12.6
135.07973	1.2
135.11690	15.1
137.09607	1.2
137.13248	1.6
137.32718	1.0
143.08597	1.8
145.10107	9.7
146.99702	1.1
147.11702	11.1
149.13254	9.9
149.14288	1.5
154.94170	1.5
157.10155	2.0
159.11734	5.9
161.13293	8.2
163.14842	14.3
165.12767	1.4
166.30064	1.2
171.11697	1.6
173.13266	4.3
175.14777	5.1
177.16425	10.9
179.14279	1.6
185.13258	2.4
187.14835	12.3
189.16400	20.6
191.17867	6.0
199.14873	2.3
201.16440	6.8
203.17976	3.7
205.15887	66.3
207.17459	29.1
213.16412	2.3
215.17998	6.0
217.19554	2.3
219.17422	6.0
227.17990	1.8
229.19562	3.6
235.20523	1.0
241.07440	1.5
241.19484	1.9
243.21170	1.4
255.21027	5.0
259.08508	2.0
260.08942	1.3
265.60095	1.1
267.09064	3.0
269.22665	3.6
285.10159	4.3
286.10458	1.7
305.26614	1.2
324.11499	1.9
333.27774	1.1
366.95569	1.1
377.02301	1.1
382.70032	1.3
391.33575	3.4
409.34668	15.0
427.35742	100.0
428.35947	1.8
437.34143	1.7
454.72440	3.2
455.22748	2.0
455.35965	6.5
473.35849	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3633
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
52.82898	1.8
52.89298	1.8
53.03949	2.4
53.61097	2.1
55.05508	10.6
56.96578	2.7
57.07073	3.3
60.39074	1.8
61.02923	3.0
62.04638	1.9
65.03930	2.4
67.05517	18.3
69.03426	2.2
69.07071	9.3
69.47248	12.9
79.05497	12.6
81.03431	2.8
81.07066	38.8
81.08120	2.0
83.04970	2.4
83.08632	12.3
85.02921	2.9
91.03979	2.1
91.05486	15.1
93.07057	38.2
94.67559	1.8
95.08619	69.7
97.06525	2.3
97.10159	3.7
98.97604	2.5
103.06077	1.9
105.07040	36.1
107.08604	59.7
107.23975	2.0
109.06527	2.2
109.10160	41.2
111.08041	2.7
117.07021	4.4
119.08594	69.0
120.53111	2.0
121.06535	1.8
121.10154	51.6
123.11712	14.5
128.06380	1.9
128.26715	1.9
129.07036	3.9
131.08572	22.7
133.10141	54.4
135.08057	3.1
135.11702	36.4
137.13240	3.9
139.07545	2.3
143.08566	5.5
144.09291	2.4
145.10132	40.5
147.11702	36.5
149.09729	2.1
149.13293	15.8
151.07588	3.4
151.11211	4.1
153.09003	2.3
157.10124	9.3
158.10916	2.3
159.11714	32.9
161.13280	24.0
163.07568	6.3
163.14835	22.8
165.09123	2.9
169.10229	2.3
171.11749	5.8
173.09756	4.5
173.13290	19.3
175.14830	18.3
177.09047	4.7
177.12892	2.8
177.16408	18.9
179.10632	1.9
179.14355	5.0
183.11705	3.0
185.13232	7.6
187.14854	35.8
189.16397	28.3
191.10674	6.0
191.17966	100.0
197.13463	2.4
199.14838	5.7
201.16397	83.8
203.17969	32.6
205.12239	2.5
205.15868	5.1
205.19536	6.4
207.17441	6.8
213.16414	4.3
215.17897	10.5
217.19557	9.3
219.13907	3.6
219.17444	17.3
221.19023	3.4
223.17090	2.1
227.17903	4.7
229.16014	9.3
229.19537	11.5
231.21175	2.6
233.15353	5.0
241.07500	2.8
241.19618	5.7
243.21104	4.7
247.16983	42.4
255.21196	3.1
259.08597	3.1
261.18448	4.1
265.18008	8.0
273.18689	2.6
275.20041	3.1
276.78934	2.1
285.10110	4.7
286.10516	2.6
287.20135	6.1
324.61777	2.3
349.66028	2.4
391.33743	10.8
409.34720	26.2
427.35956	5.7
437.34406	23.2
455.35687	24.0
473.36002	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3628
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
51.75047	3.2
55.05511	18.7
57.07074	5.2
67.05517	18.5
67.32694	3.1
67.50979	3.5
69.07070	17.4
69.51083	24.6
72.00999	3.9
79.05498	21.1
81.03457	7.9
81.07059	49.6
83.05001	6.4
83.08640	23.1
85.02879	4.1
86.97437	3.2
91.05478	22.7
93.07048	50.1
95.04965	7.0
95.08614	100.0
97.06517	3.7
97.10181	7.5
105.07034	48.5
107.08598	70.8
109.10155	49.0
111.08086	6.3
111.11705	3.6
117.06997	4.7
119.08590	95.5
121.10151	64.3
123.08061	5.7
123.11716	23.4
125.09653	3.7
131.08562	18.1
133.10147	56.2
135.08026	7.6
135.11700	39.4
137.13258	6.5
143.08524	5.3
145.10114	36.2
147.11694	38.4
149.13268	43.7
159.11714	24.2
161.09654	3.7
161.13287	30.5
163.07626	7.7
163.14874	26.9
165.09099	5.0
171.11641	6.8
173.09592	5.0
173.13274	22.3
175.14821	29.2
177.16389	37.7
179.14342	5.9
185.13287	6.7
187.14813	38.8
189.16379	92.4
191.10695	3.9
191.14359	6.8
191.17957	77.2
199.14894	7.0
201.16423	25.3
203.17972	47.2
205.15903	20.8
205.19565	7.9
207.17421	40.2
213.16476	6.3
215.17969	11.3
217.15921	4.6
217.19524	12.9
219.17509	7.5
229.19539	8.1
233.15392	6.9
247.16951	17.9
249.18588	13.5
261.46539	3.7
265.18091	12.8
321.04919	3.7
360.33264	4.2
391.33585	12.2
397.30441	5.0
409.29614	6.3
409.34659	86.4
425.34042	10.0
427.35818	45.3
437.34387	19.4
455.35693	35.9
473.29691	5.5
473.36279	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.363
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
50.28351	2.0
53.03932	4.1
53.14344	1.8
54.32553	1.7
55.01851	3.0
55.05514	15.1
57.03432	2.4
57.07073	4.3
59.15400	1.8
67.05509	30.8
67.86594	2.1
69.03422	4.1
69.07072	17.7
71.05003	5.0
71.41093	3.6
79.05081	2.5
79.05502	35.1
81.03425	32.6
81.07063	38.5
83.04981	7.9
83.08620	10.9
85.06553	2.2
91.05489	32.3
93.06491	2.4
93.07063	33.3
95.04970	15.4
95.08616	56.5
97.06538	4.8
97.10189	5.8
100.59570	1.9
102.03793	2.0
103.05403	2.7
105.07041	38.2
107.04958	4.7
107.08598	47.2
109.06525	6.5
109.10162	23.1
111.08113	4.4
111.11710	2.4
117.07028	8.0
119.04941	2.2
119.08592	38.5
121.06502	6.3
121.10143	31.4
122.10538	2.1
123.08102	5.1
123.11710	8.9
125.09587	3.1
128.06175	2.2
129.07037	10.5
131.08582	16.6
133.10156	35.2
135.08073	4.8
135.11685	21.4
137.05969	5.4
137.09608	6.5
137.13322	3.7
139.07541	2.2
139.11136	2.4
141.07014	3.0
142.07800	2.4
143.08562	6.2
145.06476	2.5
145.10146	21.6
147.08020	4.0
147.11713	28.3
149.09612	5.3
149.13240	12.1
151.07552	2.6
151.11201	2.4
151.84010	1.9
153.09065	3.3
157.06448	2.8
157.10107	6.5
159.11716	11.5
161.09636	3.2
161.13286	18.0
163.11206	22.0
163.14864	3.6
165.09148	13.0
167.10707	2.6
171.11703	9.5
173.13266	9.1
175.11194	6.7
175.14839	19.5
177.16412	23.9
179.14296	6.3
181.10007	2.2
185.13213	4.1
187.11119	2.3
187.14853	22.0
189.09152	4.3
189.12807	4.0
189.16405	51.1
191.14351	2.2
191.17963	6.1
193.12311	9.6
199.14853	4.5
201.12965	2.3
201.16434	9.9
203.10808	1.9
203.16107	2.3
203.17967	40.6
205.15900	100.0
205.19528	7.1
207.13823	5.8
207.17422	20.1
211.13109	2.2
213.16362	3.2
215.18024	4.6
219.17651	2.2
225.16402	2.3
246.14915	5.7
247.16934	3.2
249.18512	9.9
285.25638	2.5
295.24225	4.7
313.25278	6.7
331.26385	2.5
381.20667	5.7
391.33755	2.1
391.63162	2.8
409.34708	43.8
427.35809	27.4
437.34604	15.1
455.35538	5.6
473.29507	34.5
473.36087	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	473.3627
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
52.57387	1.3
53.03931	1.7
55.05509	9.3
57.07058	1.7
65.03948	1.3
66.95449	1.2
67.05511	9.7
67.67819	1.3
69.07066	12.9
71.08682	1.3
77.76131	1.4
79.05477	8.6
81.03416	2.6
81.07061	23.9
83.04990	2.2
83.08627	6.2
91.05489	10.2
93.07043	23.0
95.04942	1.4
95.08615	47.2
97.06520	1.7
97.10186	2.7
98.21515	4.2
101.03128	1.2
105.07042	21.9
107.08595	38.4
107.09313	2.2
109.06551	2.6
109.10165	27.3
111.08112	3.4
117.07037	3.7
119.08588	44.4
121.10146	32.2
123.11732	11.1
125.09718	1.8
131.08597	6.0
133.10144	35.6
133.11113	2.6
135.08060	1.7
135.11703	20.7
137.06042	2.1
137.09608	1.7
137.13301	2.6
143.08589	2.5
145.10139	13.4
147.11696	29.8
148.03986	1.3
149.13263	16.0
150.26463	1.3
151.11201	3.3
153.09142	4.3
156.15080	1.3
157.10136	2.8
159.11707	11.6
161.09618	1.6
161.13252	15.3
163.11133	6.4
163.14822	19.1
165.09128	2.4
165.12758	1.3
167.10660	2.7
170.98651	1.3
171.11693	1.2
173.13301	7.2
175.11256	1.8
175.14835	17.3
177.12860	2.0
177.16379	22.3
179.14349	3.5
185.13271	1.6
187.14832	12.6
189.16391	78.5
191.14330	1.8
191.17923	10.9
201.16386	14.0
203.17964	100.0
204.18225	1.6
205.15883	50.1
205.19569	4.5
207.17442	24.7
213.16481	2.5
215.17999	5.6
217.19614	2.4
219.17543	3.0
221.19060	2.2
223.16895	2.4
227.18082	1.8
229.02196	1.3
229.19542	3.1
231.17470	4.8
231.21100	4.5
235.16956	8.0
249.18494	23.7
257.22714	1.9
341.24896	1.4
387.08820	1.6
391.33441	7.6
398.43558	1.4
409.34668	95.2
410.35068	2.0
427.35858	9.4
437.34207	16.1
455.35287	4.1
473.36368	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	473.3634
Annotation	Aceriphyllic acid A
Peak:m/z	Relative Intensity
55.01875	1.6
55.05510	5.9
67.05502	11.4
69.07078	8.6
69.34813	3.8
69.35232	7.6
78.21243	1.3
79.05499	10.3
81.03421	4.6
81.07070	19.1
83.05000	2.3
83.08628	4.2
91.05489	9.4
93.07037	15.8
95.04994	2.4
95.08617	43.5
97.06532	3.0
98.21512	3.6
104.03025	1.6
104.36881	1.3
105.07034	19.9
107.08606	51.2
109.06550	1.5
109.10185	15.5
111.08116	1.6
117.07012	3.1
119.08590	30.2
120.08972	2.7
121.06503	1.5
121.10150	31.2
123.11729	5.2
129.07004	3.2
131.08591	7.0
133.10144	27.2
135.08090	2.0
135.11697	15.0
137.05968	2.0
137.09589	2.8
137.13193	1.9
139.07593	1.3
143.08607	2.1
144.58263	1.4
145.10155	15.8
145.23497	1.4
147.11705	21.0
149.09636	2.5
149.13297	7.8
153.09073	2.6
157.10158	2.9
159.11731	11.3
160.12151	1.9
161.13290	16.5
163.11214	20.6
163.14854	8.9
167.10602	1.5
169.10194	1.6
171.11731	4.8
173.13281	5.6
175.14844	17.2
177.16415	29.4
179.14357	3.7
185.13297	2.5
187.14818	20.0
189.16406	53.8
191.17998	4.1
193.12311	2.2
199.02553	1.4
199.14793	2.5
201.16412	10.7
202.16833	2.0
203.17982	37.5
203.19777	2.8
205.15895	100.0
205.19479	4.1
207.17480	21.3
213.16451	2.7
215.18047	3.1
217.15918	1.3
217.19591	1.6
219.17487	2.6
223.16995	1.7
229.19559	1.8
231.17374	2.4
235.16940	2.6
238.09088	1.5
244.78955	1.4
247.16962	2.4
249.18541	10.1
285.25485	2.0
295.24164	3.2
313.25269	7.7
341.48138	1.4
391.33334	4.0
395.29211	2.1
406.57587	1.4
409.34668	42.1
427.35913	7.6
437.34283	15.3
455.35815	2.5
473.29245	3.0
473.36273	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	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39281	0.4
50.42263	0.5
51.50274	0.5
51.83525	0.4
53.03941	0.9
55.05500	1.8
56.53017	0.4
57.03439	0.5
57.07067	1.1
59.66100	0.4
61.55687	0.6
62.77326	0.4
67.05524	2.3
69.03421	1.9
69.07050	1.4
69.50956	3.4
71.04992	0.9
77.64785	0.5
79.05493	3.4
81.03403	1.6
81.07066	2.8
83.08603	0.6
85.02919	2.3
87.00835	0.6
91.04967	0.8
91.05481	7.5
93.07052	3.5
95.08604	1.9
97.02888	1.5
99.04442	2.4
103.05455	1.0
105.07033	8.9
107.08602	9.2
109.02875	0.6
109.10160	1.4
115.05459	0.9
116.06254	0.6
117.07027	3.8
119.08590	12.8
121.06501	0.7
121.10154	10.4
123.08081	1.2
123.11724	0.8
125.09612	0.6
127.03931	1.9
128.06184	1.1
129.06999	4.0
130.07811	1.1
131.08571	15.9
133.10136	5.4
135.01166	0.5
135.08044	3.0
135.11700	1.1
143.08588	7.4
144.09334	2.0
145.04980	0.8
145.09059	0.9
145.10136	12.0
147.11684	6.0
149.09624	1.3
149.13275	6.9
149.38631	0.5
156.09378	0.5
158.10925	10.1
159.02983	0.8
163.14842	0.7
163.79193	0.5
171.11780	0.6
173.13268	16.4
175.14844	8.7
186.71898	0.5
191.14314	100.0
209.15372	2.6
227.16475	1.7
231.05061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
55.05531	1.9
65.03941	1.0
66.95888	1.0
67.05496	2.5
67.10735	0.7
69.03424	2.5
69.07057	2.3
70.79764	1.3
70.80105	0.9
71.04992	10.5
73.35406	0.8
79.05492	4.0
81.03416	1.3
81.07077	5.8
83.04993	0.9
83.08615	2.1
84.74474	0.8
85.02901	5.4
85.06551	5.2
87.00829	2.0
91.05494	5.5
93.07048	10.3
93.53040	0.7
95.04969	0.9
95.08620	9.5
97.02905	1.3
97.06537	13.9
105.01849	3.8
105.07037	12.4
107.08606	16.6
109.02872	1.5
109.06528	4.5
109.10139	2.6
110.81544	0.8
111.08084	2.6
117.07018	1.3
119.08585	5.6
121.10154	25.6
123.08093	2.2
127.03935	2.8
129.07016	1.1
131.08582	10.2
133.10141	79.6
135.08058	11.4
135.11667	1.4
143.08586	1.0
145.04994	2.0
145.10106	3.1
147.11694	14.7
149.09621	2.0
149.13286	14.6
158.10918	3.5
161.13284	1.7
163.11147	1.0
163.14841	10.7
169.04727	0.9
173.13278	23.8
173.14726	1.6
183.52362	0.8
191.14320	100.0
196.81857	0.8
209.15381	4.7
231.04919	1.5
235.88802	0.9
249.06197	1.3
391.99091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79559	0.9
55.05516	1.8
57.07069	1.3
58.20467	0.9
60.13322	0.9
67.05493	2.9
69.03421	2.5
69.07071	3.8
70.80629	2.2
70.80973	1.1
71.05002	12.9
74.64374	0.9
79.05484	3.5
81.07069	5.5
83.08625	1.9
85.02937	4.9
85.06555	9.3
86.09698	1.5
87.00804	1.5
89.33913	0.9
91.05474	4.4
91.83350	1.0
93.07057	9.4
94.58678	0.9
95.04977	1.7
95.08613	8.8
95.59792	1.0
97.02886	1.3
97.06531	14.3
105.01884	4.6
105.07044	10.7
107.08604	16.7
107.44686	0.9
109.02893	1.8
109.06529	5.2
109.10164	2.5
111.08068	3.6
117.07007	1.4
119.06107	1.2
119.08609	8.9
121.09343	2.2
121.10156	32.5
123.08057	3.1
127.03956	1.4
131.08571	7.1
133.10144	93.0
135.08060	13.0
145.04889	1.0
145.10167	2.8
147.11702	16.7
149.09610	2.1
149.13260	17.3
158.10930	3.4
163.14821	1.8
173.13278	24.9
191.14322	100.0
209.15392	5.6
249.06085	1.7
308.64484	1.0
350.99875	1.0
412.71442	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01874	1.5
55.05516	1.2
57.03440	1.1
57.07079	1.4
59.04974	0.5
61.02928	1.1
65.03947	0.6
65.48895	0.5
67.05502	4.3
69.03445	5.0
69.07060	1.3
69.57401	3.3
71.04996	4.6
73.02922	1.3
79.05514	3.5
81.03413	3.7
81.07066	3.6
83.04990	0.8
83.08638	0.8
85.02913	10.9
85.06546	2.7
87.00844	5.5
91.03973	0.5
91.05490	4.4
93.07040	3.1
95.04975	3.8
95.08608	5.2
97.02901	4.4
97.06530	2.5
99.04473	1.7
99.08069	0.5
105.01892	4.8
105.07041	9.6
107.04944	0.5
107.08604	7.5
109.02887	3.3
109.06525	75.6
109.10164	18.2
111.08067	1.2
115.05485	0.8
117.01867	0.5
117.07014	1.8
119.08601	3.4
121.06516	1.0
121.10152	5.3
123.08088	9.3
127.03932	6.9
129.01945	0.5
131.08569	18.2
133.10141	31.8
135.08067	33.3
135.11688	1.0
139.53944	0.6
143.08580	1.3
144.09323	0.8
145.04962	2.0
145.10118	4.8
147.11676	3.6
149.09644	3.2
149.13266	2.2
150.10382	0.8
153.09132	3.5
158.10910	3.3
159.02899	1.5
161.09593	0.6
163.03937	1.0
173.13274	29.8
174.13480	0.5
175.14838	1.5
176.11850	0.6
181.26695	0.5
189.04123	0.6
191.14319	100.0
192.14725	0.8
209.15378	67.8
231.05026	1.6
421.59561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.3
55.05513	11.8
57.07060	3.7
65.03912	3.3
67.05505	36.0
69.07072	15.1
70.64957	6.4
79.05081	3.7
79.05499	56.2
81.03394	3.5
81.07062	37.1
83.08615	8.5
85.02914	3.0
85.06512	2.8
90.68504	2.8
91.05486	29.0
93.07047	75.8
95.04960	7.2
95.08605	27.0
97.06516	3.7
97.10172	5.8
105.07037	21.7
107.08601	46.9
109.10171	17.0
117.06977	3.2
119.08574	10.4
121.10147	43.2
122.19258	2.5
123.11662	4.8
125.09539	2.5
131.08556	6.7
133.10135	16.7
135.11696	46.4
143.08521	3.0
144.73592	2.7
145.10133	6.8
147.11667	8.7
149.13234	19.1
159.11708	6.8
161.13298	4.7
163.11237	2.8
163.14830	6.1
171.11612	3.8
173.13231	3.8
175.14847	4.2
177.16331	2.6
178.30054	2.6
185.13208	7.5
187.14665	2.9
189.16406	4.6
199.14810	2.6
203.18021	3.1
204.18301	5.4
235.16920	5.3
277.21643	100.0
393.94089	2.7
402.52515	2.3
410.35162	6.2
414.84619	2.7
445.98074	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	475.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01876	3.4
57.03424	2.9
61.02889	0.8
62.26167	0.8
65.03951	0.7
67.05498	2.4
68.99776	2.4
69.03431	9.8
69.60413	3.3
70.06596	2.0
71.01338	1.4
71.04983	1.0
72.08152	0.8
73.02912	3.8
79.05497	5.4
81.03410	2.7
81.06648	0.9
81.07056	8.4
83.04979	3.3
85.02908	11.3
86.09695	1.5
87.04464	1.1
91.05482	6.2
93.07043	1.8
95.04944	5.2
95.08595	1.7
97.02892	25.6
97.06527	1.2
99.00795	1.3
99.04453	0.8
101.02385	2.2
103.05420	1.1
105.07022	2.8
107.04947	3.7
107.08562	3.7
109.02892	1.6
109.06523	15.8
111.04443	2.1
112.07630	0.8
113.02358	5.6
115.03925	4.2
118.20408	0.8
119.04943	4.0
119.94273	0.7
121.06516	6.4
123.04440	2.1
123.07982	0.8
125.02370	2.2
125.06001	1.6
127.03941	2.1
131.04932	0.9
135.04405	0.7
137.05978	100.0
139.07515	5.2
140.07079	1.2
141.09096	2.2
143.03403	5.4
143.10663	1.6
147.04430	1.7
149.05959	1.2
151.03931	1.5
155.07030	15.0
155.87328	0.8
161.04477	13.3
161.05798	1.4
163.03865	3.5
164.07085	2.0
165.05440	1.4
169.04999	2.1
191.07021	0.9
203.06992	0.9
233.08061	1.6
251.09181	2.1
267.08853	1.1
279.08685	1.5
281.10117	0.8
295.08145	1.0
297.09647	5.3
315.10733	9.4
475.16324	1.7
475.23181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01862	3.0
55.05508	2.0
57.03425	3.3
61.02922	2.2
67.05500	3.7
68.99771	1.7
69.03432	13.8
69.07053	2.5
69.43151	7.0
71.04996	28.8
73.02914	2.7
79.05506	1.8
81.03423	16.1
81.07056	6.3
83.04973	1.3
83.08595	3.5
85.02441	1.5
85.02914	23.9
85.06549	9.4
86.26498	0.9
87.00841	10.7
91.05476	3.3
93.07041	5.6
95.04949	1.6
95.08632	5.2
97.02888	7.3
97.06524	1.3
99.04460	92.8
99.08108	1.0
105.01903	5.4
105.07030	6.1
107.04924	0.9
107.08594	15.6
109.02885	10.8
109.06517	3.1
109.10168	6.6
113.09651	3.4
117.01830	1.8
117.07084	1.0
119.04962	1.4
119.08572	3.3
121.06503	0.9
121.10178	7.1
123.04450	1.5
123.08075	12.9
123.11704	10.6
125.09633	4.7
127.03932	15.6
127.11158	1.2
131.08563	3.1
133.10139	11.0
135.08017	1.7
135.11664	1.4
137.05989	1.2
137.09579	1.3
139.11192	3.0
141.12740	1.6
145.02846	3.0
145.04976	5.3
145.10062	1.3
147.02899	1.1
147.04434	3.0
147.11644	3.2
149.05984	1.1
149.09633	2.1
149.13275	4.9
151.03946	1.2
151.11235	4.4
159.02914	5.1
163.03888	3.1
164.07047	1.8
165.05511	1.7
165.09094	1.6
165.12759	1.5
167.10684	3.3
169.12256	20.4
173.13290	6.0
177.05479	6.8
183.13820	21.8
191.14362	7.5
192.14633	2.6
208.09717	3.5
209.15376	16.5
211.16891	1.6
227.16432	100.0
231.04872	2.6
251.16388	1.6
267.56808	0.9
316.38132	1.1
326.35364	1.0
359.15167	0.9
387.26404	1.1
431.25223	1.2
475.24722	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	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01870	1.1
55.05509	3.3
56.43655	0.9
57.03440	1.4
61.02936	1.2
67.05514	1.9
68.99789	1.2
69.03436	7.0
69.07071	2.1
70.06142	1.8
70.06561	2.7
70.40301	0.8
71.04988	4.5
79.05498	2.4
81.03423	8.1
81.07061	5.1
83.01340	3.5
83.04980	4.3
83.08624	2.2
85.02911	12.2
85.06538	2.5
86.00433	0.8
86.09730	0.9
87.00832	5.6
90.72357	0.9
91.05469	3.1
93.07055	5.4
95.04974	1.5
95.08601	5.3
97.02914	5.7
97.03426	1.0
97.06542	3.0
97.10191	0.9
99.04459	10.8
99.08105	13.8
101.06027	4.0
105.01881	5.0
105.07030	4.5
107.08598	10.7
107.16456	0.9
109.02880	6.2
109.06501	1.7
109.10139	6.8
110.16860	1.1
111.08101	3.0
119.08606	2.3
121.06458	1.4
121.10149	14.5
123.08061	3.4
123.11717	2.5
125.09629	5.8
127.03922	7.4
131.04935	1.2
131.08594	3.6
133.10127	12.5
135.08087	3.8
135.11699	2.7
137.05956	2.1
137.09621	3.3
137.13339	1.1
139.07539	4.9
139.11194	2.1
145.04938	2.4
145.10060	1.0
146.05986	1.2
147.04443	1.0
147.11694	1.4
147.47726	0.9
149.09627	15.4
149.13254	4.8
151.03900	1.7
151.11200	10.8
153.09090	2.4
155.10681	1.4
159.02916	2.5
161.13251	1.3
163.03856	2.3
163.14847	5.1
164.07062	3.9
165.12822	0.9
169.12231	1.4
173.13266	7.6
177.05455	1.1
181.15871	2.7
183.13852	1.6
191.14319	13.7
203.11613	0.9
209.15378	100.0
213.04103	1.8
227.16418	25.4
231.05054	1.5
283.36755	0.9
401.19601	0.9
475.21826	5.9
475.32462	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	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01865	2.9
55.05502	0.9
57.03434	1.9
58.90866	0.7
65.03941	1.3
67.05519	3.8
67.57419	0.7
68.99786	2.5
69.03434	9.7
70.06618	0.9
71.01349	0.8
71.04971	0.9
71.51515	0.8
72.08158	0.9
73.02905	2.2
79.05495	23.2
81.03418	2.8
81.07058	13.1
83.04998	4.0
85.02919	7.2
86.09734	1.0
87.04482	0.7
89.03904	0.9
91.05485	8.3
93.07024	1.9
95.04980	3.7
95.08611	1.8
97.02896	14.4
99.00822	1.4
99.04459	1.2
100.01076	0.7
101.02464	1.5
105.07023	4.1
107.04951	4.0
107.08600	35.2
109.02890	3.6
109.06519	15.4
109.10156	1.1
111.04429	2.5
112.07593	1.0
113.02373	4.4
115.03931	2.4
119.04955	4.5
121.02872	1.1
121.06516	3.2
123.04475	0.9
123.08128	1.5
125.02354	1.3
125.05984	2.7
125.09625	8.1
127.03905	1.9
127.07577	1.1
135.08066	1.1
137.05983	100.0
139.03889	1.1
139.07541	2.1
141.09114	1.7
143.03374	2.6
143.10684	30.1
147.04305	1.0
149.05978	1.1
149.09622	0.7
151.03931	1.2
151.07574	0.9
153.09163	1.4
155.07034	18.9
161.04453	6.6
161.05809	1.3
163.03868	1.6
164.07143	1.0
173.08136	1.0
179.07092	0.7
188.78786	0.8
203.06969	0.7
215.07118	0.7
221.08139	0.9
233.08281	1.0
249.15767	12.7
251.09207	2.9
269.10251	1.6
279.08652	3.1
284.97153	0.7
297.09753	2.6
315.10678	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.3
55.01870	2.8
55.05499	1.8
57.03433	3.3
65.30559	1.6
67.05512	19.5
69.03431	21.8
70.06570	4.3
70.85142	1.6
71.04981	2.6
71.75774	1.4
73.02905	1.6
79.05498	26.7
81.03423	17.8
81.07058	64.8
83.04985	6.6
84.08145	2.7
85.02908	22.3
86.09711	5.5
91.05485	88.4
93.07034	5.5
95.04969	21.1
95.08597	9.0
97.02891	46.4
99.04464	9.1
101.69621	1.7
105.07042	14.7
107.04949	4.3
107.08612	7.7
109.02879	49.0
109.06520	60.2
109.07275	2.8
109.10172	2.1
111.04456	2.1
111.08157	2.2
113.02345	1.8
115.03872	2.5
119.04958	7.9
121.06501	4.3
123.04460	2.1
123.08070	10.6
125.09624	2.6
127.03928	50.9
133.10130	2.3
137.05984	56.9
141.09120	23.5
143.10683	2.8
145.04958	16.0
147.04440	4.1
147.11678	1.7
149.05984	1.8
155.07034	100.0
161.06006	2.1
163.03909	4.7
173.08110	23.6
175.07542	2.3
177.05426	2.8
179.07080	1.6
187.06036	8.5
188.66975	1.5
191.14357	3.7
200.85475	1.4
205.07104	4.7
209.08177	2.1
209.15213	3.8
214.86174	1.6
227.09122	7.9
227.16425	2.4
251.09088	8.4
263.09143	7.2
281.10208	82.8
297.09515	3.4
299.11279	41.9
317.12305	14.9
394.17090	1.6
421.18811	2.2
439.19772	2.5
475.16559	8.0
475.24692	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	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01863	1.9
57.03430	1.1
65.03925	1.2
67.05499	2.5
68.98777	0.5
68.99775	1.7
69.03436	8.2
70.06593	1.6
71.04986	0.7
71.51363	1.0
72.08173	0.8
73.02913	2.3
79.05495	19.7
80.88873	0.6
81.03414	2.0
81.07057	10.3
83.04984	3.8
85.02916	4.9
86.09657	1.0
87.04440	1.0
91.05479	7.3
93.07043	2.0
95.04963	5.2
95.08597	2.2
97.02905	8.8
99.00780	1.0
99.83091	0.5
101.02373	0.6
103.05477	0.8
104.11449	0.5
105.07053	5.2
107.04949	3.0
107.08592	25.6
109.02902	3.0
109.06523	14.2
109.07268	0.9
111.04447	2.1
111.08115	0.8
112.07581	0.7
113.02397	3.1
115.03934	1.6
119.04951	4.4
119.36070	0.6
121.06525	4.2
123.04407	1.0
123.08080	2.1
125.02357	1.1
125.05992	3.2
125.09651	6.3
127.03933	1.7
133.06483	0.6
135.04425	0.6
135.08080	0.8
137.05983	100.0
139.03899	1.0
139.07527	2.1
141.09134	2.6
143.03392	1.7
143.10680	21.5
145.86116	0.6
147.04419	0.9
153.09103	1.0
155.07039	17.6
161.04465	5.2
161.11719	0.8
163.03922	1.5
164.07083	1.8
173.08057	0.6
187.01024	0.5
187.07709	0.7
233.08195	1.3
249.15762	10.1
251.09181	1.8
269.10327	1.1
275.13940	1.5
279.08606	2.1
281.10114	0.9
295.15332	2.3
297.09698	2.1
299.11151	0.6
315.10712	5.7
332.16205	0.7
380.80963	0.6
475.21643	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2695
Annotation	Lucidenic acid I
Peak:m/z	Relative Intensity
53.03944	3.7
55.01874	5.9
55.05518	17.5
57.03438	4.4
65.03947	1.4
67.05508	23.2
69.03443	2.8
69.07072	7.1
70.87026	2.4
71.04989	1.8
79.05505	21.3
80.79945	1.0
81.03422	8.4
81.07065	18.7
83.04977	4.0
83.08621	9.4
85.02901	1.1
85.06553	1.3
91.05490	14.3
93.07054	13.2
95.04981	9.2
95.08624	9.7
95.42159	1.1
96.20757	1.0
97.02925	1.0
97.06511	2.0
97.10176	10.7
98.69018	1.2
103.05468	1.2
105.03448	1.4
105.07030	11.2
107.04958	8.5
107.08624	9.8
109.02908	6.7
109.06525	2.0
109.10175	8.2
111.08134	1.4
115.05457	3.0
117.07018	8.3
119.04969	2.5
119.08599	7.5
121.02896	1.5
121.06544	7.6
121.10154	4.4
123.04450	2.4
123.08067	5.4
123.33389	0.9
125.02382	2.5
125.09640	6.7
128.06239	2.9
129.07011	8.6
131.04922	5.4
131.08582	9.5
133.06485	5.2
133.10159	2.7
135.04449	3.3
135.08051	5.5
135.11700	3.2
137.06010	1.5
141.07013	4.5
143.08572	5.8
145.06496	11.2
145.10165	7.3
145.11140	1.0
147.04404	4.9
147.08089	4.6
147.11659	2.0
149.06004	1.4
149.09631	2.7
153.06946	1.6
153.09120	1.2
155.08574	4.8
157.06534	3.7
157.10162	3.3
159.04437	2.1
159.08081	5.4
159.11710	3.0
160.05228	3.9
161.06004	21.7
161.09668	2.4
161.31219	1.0
163.07626	1.3
163.11160	6.2
165.07042	1.5
166.07776	1.1
167.08685	1.3
168.09302	1.2
169.06465	2.3
169.10190	4.1
170.07309	1.0
171.08119	3.7
171.11749	1.5
173.06000	4.7
173.09613	5.4
175.07536	1.8
175.11243	1.0
181.10071	2.2
183.11737	2.1
185.09666	3.2
185.13278	2.4
187.07578	2.4
187.11264	2.0
189.09270	2.0
189.11177	2.6
191.10716	2.1
193.10210	1.2
193.12231	2.1
195.11804	1.7
197.09645	3.4
197.13315	1.4
199.11259	2.4
201.09106	1.6
201.12718	1.4
203.14308	1.1
205.12244	2.8
208.06801	1.2
209.13373	1.2
211.11244	4.2
213.09035	1.1
213.12752	2.5
219.10228	1.2
225.12849	3.6
229.12256	3.0
231.13846	5.1
235.11333	1.3
237.11215	3.4
239.10835	1.4
243.13866	4.2
249.14935	1.5
255.13950	1.2
257.15417	2.2
259.13385	1.2
269.15405	2.6
271.13339	4.4
273.14923	4.3
285.14838	2.0
287.16315	1.7
289.14389	13.5
299.16498	1.7
303.15878	1.6
337.21741	2.8
347.19952	2.0
355.22748	5.7
365.21182	12.0
383.22195	55.0
399.63873	1.0
401.23288	23.4
403.22943	1.9
419.24295	3.6
421.23651	4.2
431.24152	5.5
439.24911	8.6
457.25952	53.5
475.26987	100.0
476.27496	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	475.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15147	1.1
53.03948	3.2
55.01874	5.7
55.05517	21.5
56.04150	1.1
57.03437	5.0
59.05008	1.4
61.05198	1.8
64.88276	1.1
65.03948	2.0
65.08537	1.1
67.05509	26.0
69.03431	2.9
69.07079	8.4
71.04984	2.9
71.52294	1.9
75.60058	1.3
79.05500	25.6
80.75034	1.1
81.03426	18.8
81.07068	27.9
83.04974	5.9
83.08623	13.1
85.02906	2.2
85.06560	1.6
91.05489	22.2
92.59585	1.0
93.07056	18.3
95.04976	12.2
95.08615	15.6
97.02901	1.4
97.06525	3.8
97.10189	12.2
99.08100	1.6
103.05453	2.7
105.04465	1.3
105.07031	17.5
107.04974	12.6
107.08607	13.3
109.02876	6.1
109.06533	5.1
109.10152	11.6
109.65282	1.3
111.04430	1.9
111.08117	2.2
115.05471	2.7
117.07019	10.2
119.04931	3.3
119.08591	13.8
121.06518	7.0
121.10152	6.7
123.04434	2.5
123.08078	6.0
123.11709	2.9
125.02383	2.1
125.09649	9.4
128.06259	2.3
129.07039	9.9
131.04944	5.7
131.08577	12.2
133.06523	7.0
133.10139	6.2
135.04457	2.0
135.08076	5.2
135.11739	6.0
137.06015	2.8
137.09634	1.9
141.07021	2.8
142.07751	2.8
143.08562	7.8
145.06488	7.3
145.10138	11.0
147.04396	6.7
147.08029	7.2
147.11684	4.0
149.05960	1.6
149.09633	3.6
149.13274	2.1
153.09135	3.0
153.12802	2.0
155.08583	5.4
157.06555	3.8
157.10138	5.0
159.04486	2.1
159.08096	4.4
159.11752	2.9
160.05196	3.2
161.06009	16.0
161.09660	3.6
163.03929	2.1
163.07544	1.7
163.11205	7.4
163.14803	1.6
165.07016	1.4
165.09111	6.9
167.08577	2.7
169.06543	2.8
169.10196	2.5
171.08083	5.5
171.11707	3.7
173.06018	5.4
173.09598	6.3
175.07574	3.6
175.11208	2.7
177.09160	1.2
181.10110	2.0
183.08099	3.2
183.11754	3.6
184.04282	1.2
185.05890	1.2
185.09645	2.9
185.13286	3.3
187.07565	2.7
187.11189	2.4
189.09135	1.6
189.11246	4.2
191.10637	2.8
191.17946	3.8
193.10213	2.2
193.12286	6.0
195.11699	2.9
197.09749	3.1
199.11140	2.4
201.09166	1.5
201.12816	2.8
203.14391	1.5
203.17967	1.4
205.12297	2.1
209.13379	1.5
211.11214	3.5
213.12839	2.6
215.14485	1.8
221.09511	1.9
225.12706	2.7
227.12732	2.9
229.12247	1.6
231.13815	4.7
231.17583	1.6
243.13898	3.8
249.14859	1.6
265.14432	2.1
267.15948	3.0
269.15350	4.6
271.13348	3.9
273.14883	4.7
285.14896	1.7
287.16534	1.9
289.14368	12.3
303.16019	2.4
327.23343	1.4
337.21692	3.4
347.20267	2.1
355.22681	5.2
365.21118	12.9
373.23703	1.9
383.22174	55.3
401.23315	21.5
403.22876	1.7
419.24283	3.7
421.23828	3.2
431.24249	4.2
439.25015	7.5
457.25903	47.8
457.32468	1.7
475.26941	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	476.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01879	1.2
56.96567	2.2
57.03439	4.0
60.87811	0.5
61.02934	1.6
67.05486	0.6
67.97565	0.5
69.03436	4.5
70.06602	1.0
71.05001	24.2
71.51110	0.6
72.08172	0.9
72.22985	0.5
73.02930	1.2
75.04457	0.7
79.05495	0.8
79.16006	0.5
81.03413	2.1
83.04993	1.0
83.21518	0.5
84.08153	0.7
85.02912	35.4
86.09704	0.8
87.04456	2.0
91.03966	1.0
91.05491	0.9
94.06564	2.3
95.04964	1.0
97.02894	6.8
98.97579	5.1
99.04456	2.0
102.96822	0.6
107.04956	0.8
109.02866	2.0
109.06522	1.1
110.06068	2.8
110.97559	0.8
112.99191	0.5
116.98613	1.8
119.04977	0.7
120.08102	0.5
121.06513	1.2
122.06041	18.6
123.06400	0.6
127.03899	3.3
128.98616	0.9
129.05487	4.9
132.04478	0.9
135.04416	0.8
137.05983	4.7
138.05504	7.9
138.06441	0.6
140.07076	5.3
143.00171	0.9
145.04953	3.1
146.99619	0.6
147.04420	0.8
147.06526	1.3
150.05519	19.4
151.03966	0.9
158.99692	1.3
163.03940	4.3
167.07040	0.5
168.06575	100.0
177.00790	1.0
216.11357	2.1
219.01790	1.6
237.02802	2.5
266.05579	0.6
283.04984	0.7
285.02948	0.9
303.03860	0.6
314.06415	0.8
314.12311	0.8
320.06857	0.5
327.03873	0.7
330.11856	60.0
331.12244	0.9
336.09811	1.2
344.09467	0.6
356.07260	0.9
363.16940	1.1
416.09412	0.8
434.11020	0.8
459.26129	0.8
476.17270	2.0
476.27679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.05494	2.0
57.03436	1.3
57.07066	2.7
67.05498	3.1
69.03422	4.1
69.07066	2.8
69.19914	0.6
69.31136	2.2
69.31556	4.1
71.56441	0.7
72.23598	0.7
73.02882	1.0
79.05484	2.1
81.03407	3.4
81.07059	17.2
82.07374	0.8
83.08598	1.3
85.02906	10.0
87.00829	3.2
87.04472	9.2
91.05492	1.6
93.07037	2.0
95.04957	1.2
95.08609	5.8
95.55981	0.8
97.02892	3.5
99.04502	1.4
105.01857	3.6
105.91702	0.8
107.04918	1.1
107.08585	3.1
109.02882	2.3
109.10158	2.8
117.01858	1.1
119.08582	1.7
121.06526	1.0
121.10148	2.4
123.08141	1.0
123.11713	36.3
125.13233	4.4
125.97042	0.7
127.03915	4.0
133.10135	1.3
135.04445	1.2
135.11702	2.4
145.04980	2.7
145.10062	1.2
149.13243	3.2
151.11183	100.0
152.11514	0.8
159.02826	0.9
163.03909	5.6
165.09103	1.0
175.14830	2.2
177.16382	1.4
182.23140	0.7
193.15883	3.6
203.10632	1.0
211.16936	93.1
212.17349	1.0
231.05151	1.0
384.22577	2.4
458.26199	2.3
476.26987	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	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.4
57.07077	2.0
59.05001	0.4
67.05186	0.4
67.05508	5.5
69.03433	0.8
69.06802	0.4
69.07077	4.4
69.74058	1.4
71.04990	1.0
79.05490	1.3
81.03411	0.7
81.07059	5.1
83.08624	1.4
85.02901	1.5
85.06545	1.5
87.00823	0.7
91.05485	4.3
93.07052	3.1
95.04948	0.5
95.08613	17.8
95.58192	0.4
97.02907	0.6
97.06547	0.6
98.21492	0.8
99.04457	1.8
100.04787	0.5
103.05442	0.6
103.69297	0.4
105.01873	0.6
105.06329	0.5
105.07041	8.9
107.04903	0.4
107.08596	5.1
109.02892	0.5
109.06525	0.9
109.10165	20.2
110.10543	0.4
115.05481	0.4
115.22523	0.4
117.07015	1.6
119.08588	36.1
120.08857	0.4
121.10149	1.9
123.08091	1.5
123.11694	1.3
124.12038	0.5
127.03928	0.7
128.27914	0.4
131.08546	1.1
133.10139	43.9
134.10585	0.8
135.04376	0.7
135.11699	8.4
137.09615	8.8
145.04993	0.6
145.10152	3.5
147.11694	10.5
149.13269	2.8
151.14848	4.5
159.11647	0.5
160.12457	1.4
163.03893	2.4
164.07083	1.5
165.05475	0.4
169.12103	0.4
173.13287	1.1
175.14836	100.0
176.15302	0.7
183.13911	0.5
185.52023	0.4
191.14296	0.7
192.14615	1.0
193.15894	34.0
194.16183	0.6
209.15361	1.1
210.15724	1.2
227.16399	2.2
228.16766	2.4
317.18576	0.5
365.75900	0.4
409.08322	0.4
476.27487	1.5
493.51151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40500	0.4
55.05509	2.2
57.07061	1.9
67.05501	5.5
69.03411	1.0
69.07068	4.9
69.30586	3.6
69.30968	0.9
71.05010	0.6
79.05478	1.4
81.07052	5.3
83.08607	1.3
85.02901	1.2
85.06546	1.3
91.05473	4.7
91.97926	0.4
93.07043	4.4
95.08606	15.9
97.02898	0.6
97.06499	0.8
98.20792	1.0
99.04453	2.3
100.04772	0.6
105.07033	9.2
107.08591	5.8
109.02856	0.8
109.06518	1.2
109.10158	21.3
109.54082	0.5
115.05511	0.4
117.07022	1.2
119.08582	39.3
121.10149	2.8
123.08038	1.6
123.11703	1.1
127.03905	1.2
131.08568	1.2
133.10132	44.3
134.10901	0.7
135.11700	8.9
137.05959	0.5
137.08662	0.8
137.09622	8.5
145.10127	2.1
147.11685	10.5
148.12019	0.4
149.09760	0.4
149.13255	3.2
151.14828	4.4
159.11603	0.7
160.12473	2.0
163.03894	3.1
164.07033	1.3
165.05492	0.6
169.12297	0.6
173.13260	1.3
174.13475	0.6
175.14824	100.0
176.15158	1.4
191.14374	0.7
193.15884	33.0
209.15311	0.7
210.15714	1.4
227.16460	1.6
228.16759	2.4
254.00328	0.5
317.18506	0.8
326.48355	0.5
476.27676	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	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13667	0.6
53.03936	1.2
55.01883	0.9
55.05517	1.2
67.05495	1.4
69.03423	2.7
69.07073	5.9
69.20942	5.3
69.21347	1.2
71.04977	0.8
79.05509	0.9
81.03421	3.4
81.07047	2.1
83.08601	1.7
85.02912	8.2
87.00827	3.5
91.05484	2.4
93.07040	1.7
94.06634	0.7
95.08614	4.9
97.02916	4.2
99.04465	1.7
105.01885	3.6
105.07048	6.6
107.08618	3.7
109.02884	2.8
109.10173	1.2
117.01839	0.9
117.07021	0.7
119.08595	29.3
121.10155	2.1
124.03938	1.0
127.03941	6.5
131.08527	1.2
133.10143	23.5
135.04471	0.7
135.11688	1.0
145.02721	0.7
145.05026	3.3
145.10104	1.4
146.06009	2.6
147.11685	3.2
151.87601	0.7
159.02901	1.7
160.12480	1.1
163.03911	5.3
173.13246	1.1
173.56946	0.6
174.05536	2.4
175.14838	100.0
176.15198	1.3
177.16406	2.1
193.15842	4.7
231.05070	1.4
297.78677	0.5
300.08649	1.3
318.09506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.05523	3.8
55.91286	0.8
56.89377	0.8
57.00660	0.8
57.07076	1.1
67.05495	3.5
67.69244	0.7
69.03419	3.5
69.07067	8.0
71.04993	1.2
73.02900	0.9
79.05497	5.7
81.03416	3.1
81.07056	8.9
83.08621	4.1
85.02911	8.2
87.00846	4.1
91.05488	4.2
93.07053	11.9
95.08609	17.0
97.02900	6.3
97.10150	1.0
98.21529	1.6
99.04456	1.8
102.34834	0.8
105.01905	4.2
105.07034	9.6
107.08604	17.9
109.02898	2.7
109.10168	6.8
109.29907	0.7
119.08583	7.5
121.10156	16.3
123.08126	0.8
123.11742	1.2
127.03922	6.5
133.10115	9.9
135.11699	18.2
145.04974	4.3
147.11673	2.8
149.13272	3.5
159.02887	1.6
159.46429	0.8
163.03900	1.9
173.13326	1.0
175.14828	32.8
177.16397	100.0
193.15889	9.4
229.41759	0.8
231.04883	0.9
240.17369	0.8
249.06007	0.8
445.61658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
54.31665	0.8
55.05519	4.8
67.05508	2.6
67.41200	0.9
69.03429	3.3
69.07072	10.9
70.64245	2.5
76.03291	0.9
79.05495	2.5
81.03410	3.4
81.07071	6.9
83.08614	3.4
85.02914	10.1
87.00372	0.8
87.00823	5.4
91.05496	6.7
93.07056	5.6
93.09196	0.8
95.05025	1.1
95.08614	9.1
97.02928	4.1
99.04461	1.8
105.01875	7.1
105.07041	18.2
107.08609	13.4
109.02905	3.1
109.10176	1.2
117.07043	4.7
119.08591	80.4
119.84109	0.9
121.10152	4.9
123.11694	2.8
127.03954	6.6
131.08598	1.7
133.09119	1.9
133.10138	30.9
135.11722	4.7
143.15004	0.9
145.04971	3.5
145.10165	1.7
147.11662	4.3
159.02919	1.8
168.09770	0.9
173.13264	2.0
175.14841	100.0
177.16313	1.1
193.15895	2.2
231.04991	2.5
249.06200	1.2
261.04843	0.9
262.76907	0.9
340.70822	1.0
487.11783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
53.85473	0.6
55.01883	1.9
55.05511	1.4
57.03427	0.7
59.73895	0.7
61.02934	1.4
67.05508	1.5
68.97604	0.7
69.03428	4.2
69.07079	2.4
69.72498	1.4
69.72903	2.3
70.98474	0.7
71.05007	2.7
73.02922	1.4
79.05493	1.0
81.03433	2.7
81.07063	6.4
83.08610	0.9
85.02438	1.2
85.02914	14.0
87.00857	5.2
91.05489	3.0
93.07049	4.0
93.45082	0.6
95.08619	11.3
97.02927	5.5
99.04454	2.3
99.08112	4.4
105.01871	6.4
105.07043	7.8
107.08616	8.3
107.26399	0.7
107.54670	0.7
109.02892	4.1
109.10186	1.6
113.09650	1.3
117.07018	1.1
119.08595	50.1
121.10162	1.1
123.11729	2.9
127.03935	7.9
130.40662	0.7
132.58064	0.8
133.10146	100.0
134.10446	2.1
135.11699	19.2
145.04930	4.0
145.10129	1.1
147.11742	3.2
159.02910	2.6
160.12585	0.9
175.14845	90.3
176.15257	1.0
193.15906	23.6
193.17685	1.1
211.16946	26.8
215.56314	0.8
231.05032	2.0
249.06075	1.0
266.85135	1.1
281.05743	0.7
328.71713	0.7
361.02057	0.7
405.20963	0.7
448.45160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.0
55.01880	12.5
55.05508	3.8
57.03448	7.1
57.07080	1.5
61.02919	6.7
64.29638	1.3
66.50272	1.5
67.05505	4.3
68.99786	2.8
69.03085	2.5
69.03435	34.2
69.07059	4.2
71.05000	7.2
71.12614	2.1
73.02905	7.0
79.05493	4.0
81.03428	36.8
81.07069	11.6
83.05007	1.9
85.02911	100.0
86.20058	1.4
87.00838	37.7
87.04437	1.9
91.03967	4.0
91.05457	7.1
93.07037	6.8
93.37894	1.3
94.07378	1.7
95.04990	2.7
95.08617	13.3
96.09016	1.5
97.02901	40.7
97.06504	3.1
97.10159	2.2
99.04465	21.3
105.01211	2.3
105.01879	42.3
105.07037	9.1
107.08581	4.6
109.02890	39.4
109.10139	5.0
111.08105	2.0
117.01839	5.6
117.03336	1.2
117.07084	1.8
119.08601	12.8
119.13712	1.4
121.10162	3.4
123.08112	1.9
127.03929	84.7
129.01822	5.1
133.10143	8.3
135.04430	2.3
135.11705	3.9
137.06004	2.0
145.04971	48.3
147.02896	4.4
147.11716	3.5
149.13261	1.8
157.09943	2.0
159.02899	32.7
163.03912	5.5
163.14830	5.0
175.14845	38.6
177.03906	2.1
177.16396	7.5
193.15897	25.2
211.16937	11.7
213.03960	4.6
231.05022	25.2
249.06073	6.0
265.16205	1.6
384.22522	2.9
458.26056	3.2
476.27414	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	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.05514	1.2
57.03438	0.7
67.05509	1.2
69.03432	4.3
69.07063	4.0
71.04991	2.0
71.52374	0.5
79.05492	1.6
81.03422	2.8
81.07057	8.6
83.08649	0.9
85.02916	5.6
87.00847	3.5
91.05473	4.6
93.07032	5.0
95.08611	13.8
97.02885	6.7
97.06540	0.5
99.04462	2.5
99.08111	3.7
105.01873	2.5
105.07026	9.0
107.04991	0.8
107.08591	9.3
109.02849	0.8
109.10150	2.0
111.43729	0.6
113.09663	1.6
119.08583	48.3
120.08836	0.6
121.10126	2.3
123.04458	0.9
123.08045	0.8
123.11675	2.7
127.03915	7.3
131.08604	1.1
133.02847	0.6
133.10130	80.2
133.59520	0.6
134.10469	1.0
135.04420	1.2
135.11700	16.3
137.05998	0.9
137.09587	1.1
145.02907	1.0
145.04947	2.3
145.10143	1.1
147.11661	2.9
149.13271	0.7
151.07513	1.1
154.63686	0.6
161.05930	0.6
163.03914	7.4
164.04228	1.6
167.06990	0.9
173.13298	1.5
175.14824	100.0
176.15126	1.3
181.04909	1.0
193.15878	23.9
194.15866	0.5
198.11201	1.2
211.16933	36.4
231.04982	2.7
249.05959	1.1
302.77570	0.6
314.07556	0.9
476.12747	0.8
476.19110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01869	0.7
55.05273	0.5
55.05513	7.6
57.03448	5.6
57.07063	0.6
57.72562	0.4
58.21095	0.4
61.77744	0.4
63.22218	0.4
65.03934	1.0
67.05508	26.1
69.03417	0.6
69.06737	0.5
69.07072	6.6
69.82175	2.2
71.04985	0.8
79.05496	13.6
81.07059	22.9
83.04964	0.7
83.08611	2.6
85.02893	0.5
85.06560	0.6
91.05489	6.9
93.07047	15.9
95.04967	1.5
95.07996	0.9
95.08612	17.2
97.06541	1.0
97.10179	0.8
98.20766	0.8
105.04531	0.6
105.07027	5.1
107.08594	7.1
109.06509	1.0
109.10165	5.8
109.63341	0.4
111.08072	0.7
117.06969	1.2
119.08588	3.5
121.10163	4.5
123.08054	0.8
123.11698	1.6
124.01632	0.6
129.06958	0.4
131.08575	2.1
133.10152	2.1
134.04547	0.4
135.11736	3.0
137.13300	0.6
145.10106	1.7
147.11652	1.9
149.13283	1.7
159.11719	0.7
161.13274	1.0
163.03952	1.2
163.11172	0.5
173.13309	0.4
175.14796	0.4
216.06348	0.6
261.32269	0.4
261.43454	0.4
298.81586	0.4
304.26334	3.3
322.03607	0.5
335.25806	100.0
336.26184	1.2
409.39594	0.5
476.31271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72821	0.9
53.03941	1.4
53.41481	0.8
55.05513	8.2
57.03428	3.5
62.06094	32.7
65.03960	1.4
66.89624	0.8
67.05513	26.5
69.07074	10.8
70.56754	2.4
71.05005	1.1
79.05085	1.0
79.05504	17.2
81.07066	21.8
83.04943	1.6
83.08614	3.2
91.05489	11.1
93.07053	22.9
95.04983	2.2
95.08614	18.2
97.10147	1.9
98.06035	3.1
98.98482	9.0
99.08098	1.6
105.07054	7.5
107.04921	0.9
107.08607	11.5
109.06522	1.5
109.10172	6.9
111.08069	1.3
117.07048	2.1
119.08590	7.4
121.10150	7.5
123.08081	1.0
123.11674	2.2
124.01624	1.6
131.08563	3.6
133.10175	4.2
135.08084	1.7
135.10771	0.9
135.11684	5.3
142.02670	1.8
145.10120	2.2
147.11699	4.2
149.13255	2.9
155.01050	2.5
159.11670	2.0
161.13258	1.9
163.03928	3.5
163.14854	1.7
173.02130	2.7
173.13239	2.2
175.14754	1.3
187.14804	1.2
198.05226	1.8
216.06396	4.1
243.21132	1.0
261.22131	6.2
304.26379	13.5
317.24817	2.2
335.25830	100.0
336.26178	1.6
336.37543	0.9
415.22281	1.6
421.98935	0.9
441.33655	3.5
458.26794	7.2
476.27542	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	477.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.5
54.48338	0.3
59.16830	0.4
61.98133	0.4
69.03433	2.5
69.49400	1.8
69.49813	0.8
79.05488	1.5
81.03416	0.8
85.02909	0.7
85.49358	0.4
89.03922	5.0
97.02898	6.4
101.02406	0.6
107.04946	3.7
109.02865	0.5
110.14931	0.3
117.03379	7.5
119.04923	0.4
123.04430	3.6
127.03928	0.6
135.04416	14.9
137.02374	0.8
137.05956	0.6
143.09616	0.3
145.02858	11.0
145.04005	0.6
147.04413	0.9
153.05460	3.0
161.06024	0.7
163.03906	100.0
173.06004	0.7
181.04939	1.5
187.07573	0.4
189.05441	0.6
197.06023	0.4
201.05347	0.6
215.07140	0.6
231.06543	0.4
278.67361	0.4
307.07993	1.0
325.09213	5.4
363.35861	0.4
502.91583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1394
Annotation	Onoside
Peak:m/z	Relative Intensity
53.03937	0.5
55.01879	0.7
58.00018	0.4
64.06249	0.5
69.03438	2.5
71.18340	0.9
75.13663	0.4
79.05489	1.4
81.03411	1.3
85.02887	2.0
89.03402	0.7
89.03908	4.6
92.45973	0.5
97.02897	6.3
107.04948	3.5
110.29713	0.4
110.37460	0.5
117.03382	8.2
119.04919	0.7
123.04440	5.0
127.03929	1.1
135.04424	16.3
137.02377	0.6
145.02850	10.4
145.03909	0.5
147.04367	1.2
153.05452	3.2
157.06483	0.6
161.06023	0.7
163.03909	100.0
173.05989	0.6
181.04990	1.7
215.07037	0.5
229.18021	0.6
261.07428	0.5
307.08167	0.6
325.09207	6.5
362.44135	0.5
459.12851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01905	0.4
57.03411	0.8
59.08971	0.4
63.33014	0.4
66.84543	0.4
69.03439	3.0
69.97375	0.8
69.97785	1.3
70.06623	0.4
70.97135	0.4
71.01367	0.5
79.05489	1.6
79.70383	0.4
81.03415	1.2
83.04976	0.4
85.02895	1.5
86.57782	0.4
89.03915	5.9
91.05452	0.9
93.31883	0.4
95.04962	0.6
96.18741	0.4
97.02892	6.0
98.21416	0.6
99.04465	0.5
107.04945	4.3
107.08588	0.5
109.02887	0.6
109.10162	0.9
111.04442	0.5
112.13642	0.5
115.05408	0.4
117.03380	7.0
119.04952	0.6
123.04431	6.2
127.03918	1.0
127.11181	0.6
135.04414	17.3
137.02348	1.5
137.05974	0.9
145.02858	12.5
147.04434	1.1
151.03940	0.5
153.05467	2.9
153.12740	0.5
161.05971	0.8
163.03906	100.0
164.07083	0.5
165.05460	0.8
169.12274	0.4
171.13780	0.5
173.05962	0.6
177.05484	0.9
181.04945	1.4
187.07484	0.7
193.15950	0.6
197.06012	0.6
202.76971	0.4
211.16875	1.2
215.07089	0.5
229.17995	1.6
261.07541	1.0
265.47409	0.5
273.35141	0.4
307.08121	0.6
325.09256	5.0
357.12109	0.4
441.11301	0.5
459.12326	0.6
477.18881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01871	0.4
55.05515	1.2
57.03421	1.0
63.02356	0.3
65.03926	0.3
67.05506	1.2
69.03429	3.2
69.07054	1.0
69.73327	0.5
69.73740	1.3
71.01351	0.3
77.03978	0.2
78.32436	0.2
79.05498	3.0
81.03409	1.8
81.07050	2.0
82.80457	0.3
83.04965	0.3
83.08600	0.8
84.18978	0.2
85.02908	2.6
89.03918	5.0
91.05477	1.4
93.03490	0.3
93.07034	1.0
94.07365	0.3
95.04970	1.2
95.08176	0.2
95.08613	2.2
96.08939	0.6
97.02894	6.2
97.06524	0.6
97.10159	0.4
98.20792	0.3
99.04467	0.4
101.10080	0.2
105.07039	1.3
107.04959	4.8
107.08589	1.6
108.08897	0.3
109.02860	0.9
109.06506	1.0
109.10146	0.9
111.08054	0.4
115.03989	0.3
115.05497	0.3
115.07559	0.4
117.03391	7.4
117.07053	0.5
119.04964	0.5
119.08599	1.4
120.08936	0.4
121.06484	1.0
121.10155	0.6
123.04430	3.6
123.08096	0.5
123.11673	0.7
125.09631	0.5
127.03871	1.3
129.07037	0.3
131.04922	0.4
131.08560	0.5
133.02867	0.4
133.10143	1.7
134.10432	0.5
135.04416	16.2
135.07933	0.3
135.11705	1.3
136.11995	0.7
137.02286	0.5
137.06004	1.2
137.09627	0.8
139.03979	0.3
141.07016	0.5
145.02847	10.2
145.04843	0.4
147.04398	0.8
149.05988	0.5
153.05473	3.0
161.05960	0.9
162.58505	0.3
163.03900	100.0
164.04219	0.5
165.05490	0.7
165.09114	2.9
169.39407	0.3
173.05952	0.3
173.09547	0.3
175.07629	0.3
175.14827	1.2
176.15155	1.4
177.05446	0.6
179.36586	0.2
181.04982	1.7
187.07462	0.3
193.15845	1.6
194.16306	1.5
197.06050	0.4
211.16876	0.9
212.17267	1.0
215.06987	0.6
231.06516	0.4
243.06438	0.3
261.07742	0.5
265.07016	0.3
307.08096	1.5
315.19589	0.5
321.58176	0.3
323.09152	0.5
325.09192	6.3
367.22565	0.5
385.23575	0.9
403.24438	0.4
442.51413	0.3
456.71133	0.3
459.12881	0.4
459.27573	0.8
477.27927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59797	0.4
53.03937	1.5
55.01863	1.5
55.05516	6.7
57.03436	1.6
67.05509	6.5
69.03434	4.1
69.07069	2.5
69.94827	1.3
69.95242	0.9
71.04999	0.8
77.03950	0.5
79.05508	8.4
79.67756	0.4
81.03434	5.8
81.07065	6.2
83.04980	0.7
83.08621	4.0
85.02921	2.5
87.00823	0.5
89.03914	5.5
91.05489	5.6
93.07056	3.7
95.04962	3.8
95.08603	3.1
97.02905	7.1
97.06536	2.1
97.10183	5.7
99.04439	1.1
101.02409	0.8
105.01863	0.7
105.07052	3.9
107.04297	0.8
107.04973	8.2
107.08610	3.7
109.02893	1.1
109.06511	1.4
109.10175	2.3
111.08096	1.2
115.05451	0.9
117.03391	7.5
117.07012	1.8
119.04941	1.0
119.08606	3.1
121.06518	3.5
121.10158	1.8
123.04449	3.5
123.08060	1.5
123.11710	0.9
125.09637	3.6
127.03913	1.8
129.07083	2.2
129.07942	0.5
131.04929	1.4
131.08553	2.1
133.06519	1.4
133.10144	2.5
134.10492	0.7
135.04422	16.0
135.08057	1.3
135.11705	1.4
137.05968	1.5
137.09616	0.8
138.06294	0.5
141.06989	1.1
143.08577	1.4
145.01773	0.8
145.02863	10.7
145.03949	0.5
145.06525	2.4
145.10156	1.7
147.04442	0.9
147.08093	1.2
147.11740	1.2
149.09604	0.6
149.13315	0.9
151.07553	0.7
153.05511	2.7
153.09161	1.2
153.35197	0.5
157.06479	0.6
157.10143	1.4
159.08060	0.8
159.11635	0.8
161.05989	1.2
163.03923	100.0
164.04237	0.8
165.09123	3.9
169.06473	0.7
169.10185	0.6
171.08138	0.7
171.11687	0.9
173.13280	0.5
175.07582	1.1
175.11273	1.1
175.14825	0.8
176.15167	0.6
181.05006	1.9
187.11107	0.5
189.11241	1.8
189.12819	0.8
193.12253	2.7
193.15881	1.9
194.16225	2.1
199.11197	0.9
205.12283	0.8
211.13351	0.5
211.16902	2.8
212.17232	2.6
227.12610	1.2
233.15411	1.3
241.14340	0.9
259.13058	0.6
267.15912	3.3
273.14984	1.4
306.83740	0.5
307.08218	1.2
309.33823	0.5
311.03629	0.5
325.09201	6.8
339.23209	1.1
349.21533	1.9
357.24432	0.9
367.22681	5.4
385.23767	9.8
403.24817	3.4
433.25943	1.0
441.26447	1.1
459.13266	0.6
459.27383	11.7
466.45126	0.5
477.22351	0.7
477.28598	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	477.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92341	0.3
51.45306	0.3
53.03942	0.5
55.01869	0.5
55.05509	1.0
57.03432	0.7
57.48744	0.3
67.05497	1.4
69.03439	3.4
69.07074	0.6
69.34673	1.5
69.35097	0.9
71.01334	0.5
71.05006	0.5
71.42968	0.3
78.16582	0.3
79.05497	2.5
81.03422	1.8
81.07074	1.6
83.04996	0.4
83.08630	0.9
85.02914	2.0
89.03931	5.3
91.05496	1.3
93.07065	0.5
93.25986	0.3
95.04950	1.0
95.08616	0.6
97.02898	5.6
97.10155	0.5
98.20764	0.6
99.04466	0.5
105.07039	0.9
107.04968	3.9
107.08613	0.7
109.02883	0.8
109.06485	0.4
109.10155	1.1
111.04461	0.3
115.05493	0.5
117.03398	7.9
119.04951	0.7
121.06554	0.4
121.10142	0.6
121.40592	0.3
123.04445	3.8
123.11708	0.8
125.09679	0.4
127.03910	1.4
127.11147	0.4
133.02829	0.4
133.06459	0.4
133.10153	0.7
135.04420	16.1
135.08000	0.4
135.11688	0.5
137.02332	0.7
137.05991	1.5
145.02866	10.7
145.04005	0.7
145.06522	0.5
147.04410	1.6
147.11655	0.4
149.06012	0.4
151.11211	0.3
153.05504	2.4
159.08028	0.4
159.11714	0.4
161.05959	0.6
163.03918	100.0
164.04341	0.4
165.05498	0.5
165.09164	0.8
169.06508	0.4
169.12219	0.5
175.07570	0.4
177.05487	0.4
181.04991	1.6
185.05963	0.4
191.07045	0.4
193.12260	0.4
194.16136	0.3
197.06015	0.5
207.14630	0.3
211.16994	1.4
229.18013	2.3
233.15512	0.3
252.13417	0.3
261.07578	0.7
267.15964	0.4
279.17422	0.4
285.10739	0.3
297.18756	0.3
307.08200	1.2
325.09180	7.1
385.23682	0.9
458.95670	0.4
459.12863	0.5
459.27356	0.9
477.15417	0.5
477.28329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01883	7.7
57.03438	2.3
61.02917	1.9
67.05501	2.8
68.99786	2.9
69.03438	12.6
70.06604	1.8
71.01359	1.1
71.04979	1.7
71.50890	2.0
73.02905	2.5
79.05512	9.0
81.03416	4.2
81.07069	8.8
83.04974	5.3
84.08138	1.9
84.84244	1.1
85.02918	17.5
87.02298	1.1
91.05481	7.2
93.07054	12.1
93.50570	1.1
95.04996	6.6
97.02903	13.3
97.06570	2.5
99.04450	2.7
103.05476	1.9
105.06992	2.1
107.04957	6.2
109.02857	3.6
109.06520	14.8
111.04450	5.3
111.08092	1.9
113.02355	4.9
115.03934	1.3
119.04955	3.7
121.06522	19.8
123.04408	1.8
123.08083	1.6
125.02375	2.1
125.06025	1.7
127.03968	6.7
135.04428	6.1
137.05994	100.0
138.06375	1.6
139.06551	2.2
139.07558	28.4
143.03394	3.5
145.02850	2.9
145.04980	2.1
149.06027	2.7
149.19058	1.5
151.23137	1.2
153.05449	3.1
155.07040	13.7
157.08601	5.1
161.04465	7.9
161.05687	1.6
163.03926	28.2
164.07159	6.2
164.08289	1.4
183.06523	1.3
205.08562	1.8
208.09692	12.3
210.11316	5.9
233.08101	1.8
251.09163	4.3
265.10818	2.9
269.10004	1.5
279.08731	3.2
283.11893	5.7
292.69171	1.2
294.19339	1.2
297.09610	4.2
301.12689	2.0
315.10751	19.4
323.27924	1.2
345.21863	2.2
348.14532	2.5
433.23706	2.7
477.22943	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03429	0.9
63.02383	0.5
66.18251	0.4
69.03432	2.0
69.92435	1.0
69.92816	1.1
70.06596	0.9
72.08159	0.8
73.02905	0.4
79.05521	1.0
81.03429	2.0
84.04509	0.5
84.08133	1.1
85.02921	3.6
86.09738	0.4
87.04449	0.7
89.03931	5.3
91.05481	1.0
93.07049	0.5
95.04986	0.6
97.02898	3.1
98.21490	0.8
99.04469	0.6
107.04962	2.5
109.02886	1.1
109.06529	0.6
117.03393	7.7
119.05003	0.7
121.06569	0.5
123.04420	1.2
125.29223	0.4
127.03901	1.1
129.10202	0.5
130.05023	1.4
135.04425	13.8
137.05995	2.7
138.06290	0.6
145.02861	10.3
145.03999	0.7
149.05917	0.5
153.05466	0.5
162.19037	0.5
163.03915	100.0
164.04277	1.2
164.07100	1.7
165.05540	0.4
181.04964	3.0
182.48572	0.4
199.11172	0.5
200.63762	0.4
200.85425	0.5
207.19286	0.4
217.60690	0.5
275.13974	0.5
302.13477	0.5
307.08127	1.2
325.09189	4.7
330.13531	0.8
348.14478	3.5
477.18344	3.1
477.27618	0.6
493.32993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01880	6.6
55.05507	2.6
55.10500	1.2
57.03427	2.8
61.02917	3.4
66.78808	1.3
67.05502	3.1
68.99792	3.2
69.03433	14.1
70.06598	2.4
70.63497	3.4
70.63863	1.5
72.08142	1.4
73.02898	1.6
79.05489	12.3
81.03413	7.0
81.07060	11.2
83.04973	4.4
84.04484	1.8
84.08140	4.0
85.02911	21.2
85.06519	1.9
86.09695	2.5
86.83936	1.3
87.04448	2.4
87.58667	1.6
89.61125	1.2
90.14553	1.5
91.05492	10.7
93.07043	20.6
95.04980	6.3
97.02908	16.0
97.06530	4.6
99.04453	2.5
105.07031	2.8
107.04949	6.1
107.08582	2.3
109.02890	4.5
109.06528	19.1
111.04449	7.0
111.08089	2.7
113.02390	5.2
117.03399	3.0
118.06564	1.9
119.04963	2.7
121.06512	28.7
123.08054	2.6
123.44146	1.3
125.05965	1.4
127.03938	8.1
130.05008	5.8
135.04401	5.8
137.05988	100.0
138.06328	2.5
139.06541	2.8
139.07550	38.9
143.03413	3.3
145.02864	4.0
145.04959	3.4
147.04378	2.8
150.09097	1.9
155.07068	12.4
157.08621	5.0
161.04507	11.1
161.05656	2.0
163.03918	29.3
163.07541	1.9
164.07097	19.0
164.10738	2.1
177.11458	1.5
197.12851	1.9
208.09706	17.0
210.11234	13.5
215.06961	1.6
233.08067	2.0
243.31442	1.5
251.09138	5.7
265.10776	3.5
269.10181	2.4
279.08569	1.9
283.11774	9.2
284.12558	1.5
297.09708	2.9
301.12793	6.4
303.17096	4.6
314.17105	2.1
315.10699	19.7
330.13272	2.6
348.14328	7.4
389.20227	2.8
389.24545	2.9
433.23257	4.0
477.23315	37.9
478.16953	1.7
490.15051	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	477.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.3
53.03951	6.4
55.01880	2.0
55.05510	3.8
57.03439	5.8
62.98396	1.2
65.03974	1.3
67.05501	5.2
69.03441	15.7
69.07063	1.6
71.02722	1.9
71.04978	2.9
73.02926	1.4
75.04492	7.9
77.03925	1.2
79.05502	21.8
81.03419	15.0
81.07063	11.9
83.04989	1.6
83.08643	2.2
84.08143	2.0
85.02468	1.4
85.02910	9.5
89.03924	6.7
91.04977	2.0
91.05491	23.3
93.07051	97.6
95.04952	5.0
95.08614	7.5
97.02904	9.6
97.06536	2.8
97.10175	2.9
98.11277	1.1
99.04457	2.7
103.05475	37.4
105.04492	1.9
105.07053	12.7
107.04973	6.0
107.08596	15.6
109.02900	7.2
109.06497	1.9
109.10172	3.3
111.04475	1.6
111.08068	6.5
113.84042	1.1
117.03384	9.3
117.07037	2.4
119.04953	2.2
119.08588	12.8
121.06506	3.1
121.10154	93.5
123.04439	12.0
123.08073	4.1
123.11697	2.8
125.06012	1.2
125.09632	2.8
127.03951	6.2
128.06291	1.3
129.06998	2.5
131.04944	47.3
131.08589	5.2
133.06496	1.6
133.07683	1.2
133.10146	4.2
135.04417	19.2
135.08064	1.2
135.11697	1.9
137.06006	15.5
137.09654	1.5
139.11179	4.5
141.06958	2.0
141.29063	1.1
145.02863	13.2
145.04973	1.8
145.06512	1.2
145.10139	3.4
147.04408	6.7
147.08052	2.4
147.11719	2.0
149.06000	37.9
149.09605	14.3
151.07549	3.0
153.05464	3.4
157.06522	1.1
161.05991	8.1
163.03918	100.0
165.09076	2.6
167.07080	1.4
167.10681	14.3
173.06042	2.2
173.09674	2.5
174.06741	1.5
175.07578	6.1
175.11078	2.0
175.14873	2.0
176.15125	2.0
176.67706	1.1
177.05470	3.1
177.09218	1.9
181.05006	2.0
187.07556	5.2
189.09113	3.0
193.15976	1.9
195.08159	1.3
201.09103	1.3
202.09775	1.3
211.07614	2.2
211.16841	1.9
215.10649	1.3
217.08588	1.2
241.08600	2.4
251.06998	1.2
251.14128	1.2
255.10175	2.8
269.15387	2.1
271.09677	1.8
279.13684	1.7
293.13974	6.5
297.14832	3.6
305.11670	1.9
307.08011	1.7
307.16898	1.3
311.14688	3.0
325.09186	8.0
389.13544	1.6
406.14072	4.8
407.14618	1.3
441.16907	1.8
459.18024	4.2
459.27887	1.9
477.18851	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	477.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	12.0
55.01883	15.0
55.05515	55.2
57.03440	14.3
57.72216	2.1
59.05006	2.1
65.03947	5.2
67.05508	62.4
69.03439	15.1
69.07073	19.0
69.86114	11.1
71.04996	6.4
77.59099	2.1
79.05500	70.6
81.03426	85.3
81.07065	61.2
83.04986	16.6
83.08628	36.2
85.02908	22.8
85.06551	4.7
89.03937	6.6
91.05487	66.8
93.07054	50.3
95.04977	35.2
95.08617	32.8
97.02882	13.3
97.06554	8.4
97.10181	40.1
98.20771	2.4
99.04485	3.5
99.08086	3.3
105.04514	3.5
105.07037	44.6
107.04971	33.0
107.08604	36.1
109.02866	17.3
109.06526	10.1
109.10168	18.4
111.04440	5.1
111.08095	8.2
115.05460	3.5
116.06228	2.4
117.03373	8.1
117.07035	19.6
119.04949	6.2
119.08584	42.4
121.06512	29.6
121.10154	28.0
123.04465	7.2
123.08041	10.6
123.11719	8.4
125.06046	4.2
125.09658	28.5
127.03931	6.4
128.06250	4.5
129.07013	27.1
130.07846	2.1
131.04977	6.2
131.08571	27.4
133.06480	13.9
133.10138	22.3
135.04431	14.2
135.08064	11.7
135.11710	9.7
137.05975	3.1
137.09628	3.3
141.07007	7.1
142.07773	4.1
143.08536	12.6
145.02867	10.3
145.06520	22.9
145.10117	15.6
147.04391	4.0
147.08023	21.8
147.11716	13.1
149.09636	13.0
149.13315	4.7
151.11191	5.2
153.05400	3.2
153.09146	6.1
153.12775	2.6
155.08611	8.7
157.06511	5.1
157.10126	21.7
159.08086	4.9
159.11690	11.0
161.06032	3.4
161.09633	6.9
161.13306	2.7
163.03923	90.1
163.07652	2.4
163.11206	7.9
165.09186	6.2
169.10150	4.6
171.08080	3.7
171.10303	3.9
171.11624	10.3
173.09650	3.3
173.13321	4.9
175.11147	15.4
177.12723	3.4
183.11699	3.9
185.09607	5.8
185.13275	4.4
187.11258	4.8
187.14880	3.1
189.11261	17.7
189.12775	5.1
193.08661	7.4
193.12271	35.4
194.75607	2.5
195.11754	4.3
197.13243	4.8
199.11234	6.7
201.12733	6.8
205.12296	5.4
207.10094	3.4
209.13293	3.3
211.11412	2.7
211.13336	6.4
213.12799	6.2
215.14388	7.3
217.12259	5.0
221.11737	3.9
223.11151	2.8
227.10695	5.7
227.12842	17.6
231.13858	5.2
233.15298	14.6
235.13335	3.0
237.12799	4.1
243.13759	2.6
247.13417	7.2
249.14981	5.5
251.18048	3.2
259.13373	4.7
267.15924	60.7
269.19116	8.9
273.15018	13.3
273.17862	2.6
275.16418	3.0
287.16309	3.1
291.15875	5.1
291.62152	2.3
305.24884	3.3
315.19608	24.5
323.19839	3.0
325.09296	4.9
339.23270	5.8
341.21033	4.4
349.21683	16.6
357.24411	7.1
367.22784	38.3
375.25568	2.9
385.23743	71.1
403.24796	21.9
433.25668	10.3
441.26483	7.1
459.27435	100.0
477.28568	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	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.9
55.01873	10.3
55.05512	53.4
57.03447	18.1
59.04982	4.7
65.03938	4.3
67.05145	2.9
67.05505	71.1
69.03420	12.6
69.07079	21.5
70.10526	8.5
71.04990	9.1
79.05498	83.8
81.03423	87.0
81.07059	73.7
83.04978	19.3
83.08620	43.3
85.02911	11.5
85.06523	4.4
89.03927	5.4
90.81845	2.6
91.05484	82.4
93.07051	50.1
95.04978	37.5
95.08604	33.7
97.02899	8.6
97.06540	7.0
97.10172	35.4
98.21475	3.9
99.08121	3.1
103.05445	3.0
105.07036	48.9
106.07408	3.1
107.04964	41.8
107.08595	31.5
109.02878	6.6
109.06512	13.8
109.10161	12.0
111.04440	2.9
111.08084	11.1
115.05457	7.1
117.03386	5.6
117.07040	16.8
119.04964	5.7
119.08580	33.5
121.06513	22.9
121.10147	17.1
123.04453	7.7
123.08073	11.8
123.11739	8.9
125.09627	27.9
128.06238	3.3
129.07010	28.0
131.04909	3.7
131.08566	27.8
133.06505	8.6
133.10152	26.7
135.04456	12.2
135.08076	9.0
135.11726	6.1
137.05971	7.5
137.09639	10.6
141.07021	4.6
142.07732	6.2
143.08566	11.8
145.02892	10.4
145.06459	19.2
145.10121	21.8
147.04503	3.3
147.08014	12.8
147.11722	16.8
149.09662	9.3
149.13252	5.2
151.07603	5.1
153.09117	6.2
155.08588	7.6
157.06505	5.2
157.10123	17.6
159.08078	5.5
159.11690	6.4
161.09695	3.4
162.05585	4.0
163.03906	76.1
163.11168	9.7
169.10129	6.9
171.08070	4.2
171.11728	8.8
173.09659	3.8
175.11218	15.4
181.10152	3.6
183.11723	3.6
185.09531	3.9
187.11201	5.7
187.13332	3.9
187.14867	4.9
189.11215	15.0
189.12703	3.7
193.12245	47.2
193.13858	3.3
195.11731	4.2
197.13336	4.7
199.11234	6.1
203.14348	3.1
211.13283	17.5
215.14355	6.6
217.12305	6.9
227.12665	22.5
233.15436	11.6
237.12819	2.7
241.14359	2.7
245.15285	4.6
249.14871	5.6
255.13800	4.6
267.15918	58.6
273.14954	9.4
287.16486	5.5
291.15933	3.0
325.09232	3.9
339.23306	6.0
349.21649	10.2
357.24332	5.0
367.22629	32.4
385.23682	54.7
397.31030	3.1
403.24725	16.5
433.26089	10.1
441.26605	8.4
459.27402	100.0
460.27814	4.1
467.62656	3.1
477.28531	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03184	3.4
53.03939	7.6
55.01870	12.9
55.05513	48.0
56.49940	1.8
57.03440	12.8
65.03934	4.2
67.05508	41.9
69.03431	13.3
69.07074	13.3
70.49136	2.4
70.49483	5.6
71.04993	3.9
73.81110	2.0
79.05495	49.2
81.03419	55.7
81.07062	43.1
83.04978	10.0
83.08621	31.2
85.02927	5.5
85.06552	3.5
91.05485	38.2
93.07046	31.8
95.04977	28.3
95.08608	26.6
96.13177	2.1
97.02918	6.5
97.06516	5.6
97.10174	34.3
98.21453	2.0
101.09682	2.2
103.05450	2.4
105.07040	27.8
107.04955	28.7
107.08597	30.1
109.02861	4.2
109.06517	10.1
109.10169	10.1
111.08087	7.6
115.05456	5.1
117.03400	5.6
117.07051	17.1
119.04951	3.2
119.08589	22.8
121.06517	24.4
121.10159	13.9
123.04458	5.0
123.08056	10.8
123.11752	2.1
125.09630	28.2
127.03924	2.5
128.06224	2.7
129.07001	16.6
131.04922	5.7
131.08556	23.4
133.06499	11.0
133.10152	17.8
135.04430	14.1
135.08055	12.9
135.11713	5.9
137.05991	4.7
137.09583	3.3
141.06975	3.2
143.08597	11.9
145.02827	10.0
145.06474	17.0
145.10080	13.4
147.04434	5.3
147.08070	11.6
147.11723	8.8
149.09618	10.8
151.11124	2.6
153.09096	6.2
155.08565	4.8
157.06548	5.6
157.10095	12.3
159.08101	5.8
159.11673	6.2
161.09627	6.6
163.03905	81.2
163.11209	6.3
165.09113	2.6
167.08653	2.3
169.06406	2.9
169.10149	6.3
171.08080	5.2
171.10268	4.4
171.11734	6.2
173.09653	6.2
173.13312	5.0
175.11157	10.0
181.10126	3.1
183.08167	2.4
185.09637	2.9
185.13290	5.2
187.11292	2.9
187.14937	4.1
189.09505	3.1
189.11255	17.0
189.12769	4.4
191.10645	2.3
193.12244	32.3
195.11722	3.2
197.09680	3.2
199.11087	5.5
205.12347	3.9
211.13232	3.5
211.15045	2.8
213.12712	4.0
215.14417	6.0
217.12335	2.2
223.13121	3.0
225.12872	2.8
227.12642	13.5
230.94943	2.3
231.13860	4.5
233.15331	15.8
237.12752	3.1
239.14316	2.8
241.14273	2.8
245.15506	4.7
249.14882	4.1
255.13823	3.7
259.13321	2.3
267.15930	46.3
273.14951	10.7
323.20172	3.5
325.09280	5.5
339.23129	3.8
341.21188	8.9
349.21774	12.8
357.24500	10.8
367.22681	34.3
375.25537	3.7
385.23743	56.6
403.24738	24.1
415.25107	5.4
431.28140	3.1
433.25778	22.8
441.26715	4.5
459.27448	100.0
477.28561	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01870	4.6
55.05516	35.3
57.03432	2.1
57.07080	21.9
67.05511	28.0
69.07072	63.7
70.41222	2.4
71.04987	7.9
71.08630	11.8
72.07614	2.6
78.22510	2.6
79.05499	20.8
81.07063	100.0
83.04986	4.7
83.08625	32.6
85.10183	6.0
91.05493	10.2
93.07050	32.6
95.05007	3.4
95.07992	3.1
95.08614	64.1
97.06499	2.8
97.10181	21.0
98.20795	5.7
99.04451	16.3
103.55740	2.3
105.07033	14.1
107.08588	25.0
109.06543	12.9
109.10168	37.7
111.04454	8.8
111.08098	4.0
111.11717	10.7
119.08579	14.4
121.10138	26.4
123.08078	7.1
123.11708	20.9
125.06012	17.9
125.09647	3.1
125.13284	3.8
127.03931	39.3
131.08545	4.4
133.10150	9.4
135.08080	4.3
135.11745	11.6
137.05984	79.6
137.09599	4.6
137.13272	6.7
141.05453	8.2
142.07782	4.6
143.08562	4.0
145.10104	7.0
147.11710	7.8
149.09647	8.4
149.13271	12.9
151.07558	9.7
151.14861	5.2
155.07036	7.4
157.10124	6.3
159.11688	9.1
161.09604	4.9
161.13277	5.6
163.11171	3.4
163.14838	9.6
165.09084	2.9
165.16449	4.8
167.07083	7.8
171.11716	4.1
173.09668	6.0
173.13304	2.8
175.11194	7.3
177.09140	12.0
177.16388	5.1
179.07082	6.2
181.10027	2.5
183.06546	29.1
185.09642	7.2
187.11154	4.8
188.08282	4.1
189.09099	6.0
189.12732	4.2
189.16357	5.0
191.10602	4.3
191.17986	3.8
193.08682	5.4
193.12344	4.4
193.35396	2.4
195.10178	6.5
199.11200	3.9
201.12653	2.5
203.10678	27.9
205.12190	3.2
217.12299	3.8
217.19678	2.5
219.13792	5.2
224.98904	2.8
235.09656	21.9
245.15451	3.9
261.25836	2.7
275.27365	11.8
315.30457	4.9
319.19073	5.7
333.20630	3.6
333.31451	6.9
347.22211	3.3
353.32236	2.4
361.23611	4.3
366.59546	2.5
375.32480	2.9
381.31555	7.4
389.27109	2.8
399.32645	23.1
413.34113	3.0
417.33771	12.9
423.33090	3.1
427.28589	2.8
441.33572	8.3
459.34637	33.7
477.36325	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	477.3579
Annotation	Oogoniol
Peak:m/z	Relative Intensity
53.03937	3.3
55.01873	4.1
55.05296	1.5
55.05513	14.5
57.03436	3.7
57.07067	2.8
65.05188	1.8
67.05510	20.6
69.03429	7.6
69.07073	8.8
69.43809	13.8
71.04973	2.8
71.52296	1.7
72.74415	1.6
74.60395	1.8
78.04793	1.7
79.05500	23.1
81.03431	11.3
81.07058	30.1
83.04971	8.1
83.08611	12.4
83.53858	2.0
85.02912	4.1
85.06565	2.3
89.03912	5.1
91.05486	25.7
93.07055	28.2
95.04958	7.1
95.08607	25.3
97.02884	8.4
97.06517	6.7
97.10152	6.7
98.20765	3.7
102.27863	1.7
103.16045	1.8
105.07024	19.6
107.04955	10.1
107.08586	25.9
109.06508	2.9
109.10163	14.5
111.08065	8.3
116.63857	2.1
117.03364	8.2
117.07014	5.9
119.04901	2.7
119.08594	24.6
121.06491	6.3
121.10144	48.1
123.04423	3.0
123.08057	4.9
123.11687	8.5
125.09643	10.5
129.07004	6.3
131.08582	10.5
132.86116	1.7
133.10120	17.5
135.04424	15.8
135.08054	4.3
135.11697	14.4
137.13191	2.0
139.07527	10.8
139.11208	5.0
143.08521	3.6
145.02840	8.3
145.10124	12.0
147.08066	3.7
147.11696	14.5
149.09593	5.5
149.13211	9.1
153.05496	2.7
155.08562	3.3
157.08737	2.7
157.10126	7.9
158.81676	1.9
159.11681	14.6
161.13324	8.8
163.03902	100.0
163.11157	4.2
163.14798	3.5
167.10669	6.3
169.10139	2.6
171.11673	5.9
173.13303	6.1
175.11143	4.2
175.14720	3.1
177.12798	3.1
183.11716	2.6
185.13283	5.6
187.14841	9.3
189.16382	3.4
191.14073	2.1
191.17906	2.0
193.12207	6.1
195.13809	7.2
197.13283	3.8
199.14838	4.9
201.16420	17.2
203.17912	17.6
211.14818	2.3
213.14647	2.5
213.16422	6.0
215.14394	2.9
217.15878	3.1
225.16263	2.1
227.12791	5.5
227.17886	10.5
233.15361	20.2
239.17795	2.2
241.19380	2.4
249.06433	1.8
251.16382	19.1
253.19495	2.5
257.22537	2.9
267.15921	11.0
269.22565	14.5
325.09113	5.9
327.23053	4.7
349.15955	2.3
367.22510	4.0
385.23758	6.1
405.31256	2.3
423.32648	26.1
441.33655	83.1
459.27328	19.5
459.34610	10.2
477.28308	14.1
477.35165	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	477.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05275	1.7
55.05511	16.0
57.06837	2.4
57.07084	35.1
67.05503	11.6
67.18013	1.6
69.07072	30.0
71.05002	1.7
71.08648	25.1
71.29659	3.3
79.05485	6.2
81.07057	22.4
83.01304	2.4
83.04988	2.9
83.08628	17.6
85.02940	1.6
85.10189	13.4
91.05471	5.7
93.07027	8.7
95.04934	2.6
95.08607	22.8
97.02888	2.6
97.06528	4.1
97.10191	11.8
99.04455	7.0
99.11730	2.5
105.07027	7.3
107.08604	9.3
109.06519	15.2
109.10171	9.4
111.08086	2.7
111.11723	7.5
119.08586	7.7
121.06496	2.8
121.10142	6.8
123.08088	13.6
123.11684	5.1
125.06001	25.9
127.07560	26.6
131.08582	3.4
133.10133	6.5
135.08057	4.9
135.11685	3.5
137.05994	13.9
137.09616	5.2
139.07552	94.2
145.10120	2.5
147.11703	5.6
149.06006	3.7
149.09612	6.2
151.07570	13.0
153.09120	1.8
161.09566	2.8
161.13251	2.7
163.07530	3.5
165.09093	5.4
167.07074	4.0
173.13284	2.4
175.11182	3.5
175.14760	3.1
177.09145	14.6
189.12718	3.9
193.12247	3.7
203.14284	1.9
207.13802	3.8
221.15479	1.8
235.13223	1.7
235.16919	2.4
249.14848	6.0
263.20172	2.3
277.21622	2.1
289.04294	1.8
291.19751	2.4
291.23145	2.1
291.47260	1.6
301.29068	9.2
305.21176	1.8
305.24713	2.4
319.29974	11.7
347.33054	6.7
375.28925	2.3
385.34747	2.6
389.30719	2.4
399.36151	4.9
403.35992	3.7
417.37302	21.4
427.35800	8.1
438.17303	1.7
445.36823	100.0
477.39438	52.4
483.65039	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03942	0.8
55.01883	0.3
55.05516	10.7
57.03444	6.0
57.07089	1.7
65.03960	0.5
67.05509	21.9
69.07073	13.8
71.04999	0.7
71.08630	0.7
71.25170	0.8
79.05495	5.9
81.07062	22.8
83.04991	0.7
83.08623	5.8
85.06535	0.6
85.10186	0.4
91.05496	3.6
93.07051	6.3
95.04961	0.5
95.08612	16.4
97.06522	1.5
97.10178	3.2
99.08076	0.4
105.07053	3.0
107.08589	3.6
109.10168	6.1
111.08086	1.1
111.11681	0.4
113.09671	0.3
116.12992	0.3
117.07028	0.3
119.08575	2.7
121.10160	2.5
121.58213	0.4
123.08052	0.5
123.11717	2.7
124.01613	0.6
125.09619	0.4
133.10161	2.1
133.99579	0.3
135.11674	1.5
137.13269	0.8
138.52228	0.3
142.02734	0.3
147.11699	1.5
149.13251	1.0
161.13249	1.0
163.03963	0.8
164.04306	0.7
175.14836	0.7
177.16321	0.4
198.05316	0.5
206.38150	0.3
216.06367	0.9
245.22571	0.5
263.23685	0.8
306.27838	1.8
337.27386	100.0
338.27753	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03934	0.8
55.05523	10.1
57.03437	3.2
57.07066	2.6
62.06092	29.4
67.05508	26.9
69.07068	11.5
70.63735	2.3
70.65479	0.8
71.08639	0.8
73.96092	0.8
74.45454	0.7
75.97154	0.8
79.05497	7.1
81.07058	27.4
83.04991	1.5
83.08623	6.6
91.05476	4.7
93.07047	9.0
95.08614	16.0
97.06516	1.5
97.10162	3.4
98.06077	1.4
98.98466	7.2
105.07033	4.2
107.08576	4.6
109.10163	8.2
111.82452	0.7
119.08575	2.5
121.10149	4.4
123.11717	3.2
124.01585	1.6
133.10141	3.2
135.11676	2.3
137.13228	1.2
142.02603	2.2
147.11678	1.7
149.13310	1.3
155.01045	5.1
155.35033	0.8
155.36526	0.8
161.13298	1.1
163.14821	1.0
165.16394	0.7
173.02106	1.7
175.14815	1.1
198.05276	2.0
216.06433	3.9
219.14389	1.1
245.22604	1.5
263.23663	6.4
306.27930	15.6
319.26450	1.1
337.27383	100.0
338.27628	1.0
395.83356	0.9
417.23816	1.3
460.28165	7.4
469.39923	0.8
478.29178	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	479.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05714	1.7
53.03943	11.5
55.01868	4.2
55.05501	4.0
57.03428	6.3
61.02919	2.0
67.05508	3.5
68.99779	6.6
69.03434	44.8
71.01346	3.1
71.04977	8.5
73.02883	2.9
79.05533	1.9
81.03420	54.8
81.07024	1.9
81.39144	1.5
83.04965	10.0
83.74309	1.5
85.02911	69.8
87.00841	21.0
91.05477	2.3
93.07065	1.9
95.04949	5.8
95.08617	4.2
97.02892	16.3
99.04456	14.8
103.03944	4.7
105.01866	5.9
105.07058	2.4
107.08623	2.0
109.02887	46.9
111.04446	6.2
121.58413	1.8
123.04433	6.3
125.02300	3.2
127.03921	100.0
129.01804	3.0
135.04515	1.9
135.08040	6.1
137.05962	4.2
141.05489	2.5
145.04984	5.4
145.10062	2.0
151.03915	3.0
159.02861	1.9
163.03899	6.6
165.05504	2.5
169.05005	9.3
171.02919	3.0
187.06023	6.7
189.03912	13.0
193.05049	3.2
206.98840	1.8
213.03941	11.4
228.96303	1.8
229.07240	1.8
231.05057	10.7
233.06583	2.5
245.06316	2.2
253.07198	2.2
255.04964	4.5
273.06067	13.7
289.05441	2.4
350.98627	1.7
390.00519	1.6
435.19745	5.7
443.08801	2.7
461.09235	15.5
479.18893	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	479.1551
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
54.59574	0.4
55.60454	0.5
59.24427	0.5
69.92342	2.1
71.06422	0.6
79.05473	1.4
81.03403	1.8
81.07054	0.8
85.02896	2.1
89.03918	6.6
91.05495	0.6
93.07062	0.5
104.97377	0.6
107.04951	2.6
117.03378	8.4
121.06471	0.6
123.08037	0.6
127.03905	0.5
135.04424	16.1
137.05977	3.5
145.01768	1.1
145.02850	12.0
161.05995	2.2
163.03906	100.0
164.04247	1.4
165.05547	2.8
179.06992	1.0
181.04988	2.6
203.06987	1.2
231.63458	0.5
245.08151	0.9
260.83798	0.5
263.09232	1.1
265.07169	0.7
307.08191	1.7
325.09302	2.9
395.22739	0.4
479.20425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1554
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
53.03947	0.5
57.03424	0.5
63.02370	0.6
65.90881	0.5
67.19816	0.3
69.03418	1.3
69.33627	3.0
69.63126	0.3
70.36288	0.4
76.79716	0.4
79.05495	1.2
81.03411	1.0
83.88567	0.3
85.02905	1.6
86.39670	0.3
89.03913	6.8
91.05495	0.5
97.02885	2.1
101.25725	0.3
103.03943	0.4
103.05475	0.5
105.07009	0.3
107.04953	2.5
115.05437	0.5
117.03384	10.2
119.04922	0.5
119.67760	0.3
121.06503	0.5
123.04444	0.8
127.03915	0.4
128.06223	0.3
129.07019	0.4
133.06444	0.8
135.04416	17.4
136.04802	0.4
137.05975	1.5
145.02850	12.9
147.04407	1.1
149.05969	1.2
151.07521	1.1
157.06509	0.4
161.06012	1.6
163.03906	100.0
164.04245	2.6
165.04294	0.9
165.05594	2.8
167.07076	0.4
171.08041	0.4
175.07538	1.0
176.88884	0.3
177.09157	0.3
179.07082	2.5
181.04953	1.2
185.06096	0.5
189.05446	0.5
191.06981	0.5
195.06578	0.5
196.19904	0.3
201.09509	0.4
203.07011	2.1
217.08580	0.9
221.08156	0.9
227.06950	0.6
233.08038	0.7
245.08080	2.5
251.09006	0.4
263.09167	2.4
265.07086	1.0
265.14539	0.3
269.05994	0.4
281.10330	0.5
307.08145	0.9
325.09076	3.6
343.07291	0.4
384.10608	0.4
478.33051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23603	0.5
53.03938	0.5
55.05505	0.8
66.60314	0.4
67.05501	2.3
69.03436	1.8
69.07059	1.2
69.47403	3.2
69.47835	1.1
70.06602	0.6
71.04978	1.2
79.05486	2.0
79.56839	0.5
81.03423	1.3
81.07054	3.4
83.04961	0.5
83.08613	0.7
85.02893	1.9
85.06546	1.4
89.03918	1.2
91.05476	1.8
93.07071	2.6
94.07350	0.5
95.08626	4.7
97.02870	0.8
97.06555	0.7
97.10148	0.6
105.07009	1.2
107.08585	2.3
109.02924	0.7
109.06507	1.1
109.10184	1.5
111.84581	0.5
113.09654	1.2
117.03387	2.9
119.04933	0.7
119.08609	1.4
121.06523	1.2
121.10176	2.8
122.10440	0.6
123.08051	1.2
123.11689	0.9
123.47031	0.6
125.09612	1.3
127.03960	1.2
131.08583	0.8
133.10136	0.7
135.04404	0.6
137.06004	1.8
137.09578	0.5
141.86232	0.5
145.02846	7.3
145.10095	0.8
147.04425	1.2
147.11711	0.6
149.06020	1.0
149.13298	0.7
161.09634	0.5
161.13246	0.6
163.03937	5.2
164.04250	1.6
165.09151	0.7
173.13380	0.6
175.07518	0.5
177.05478	11.5
177.16374	1.7
178.16682	0.6
188.21991	0.6
189.09096	0.5
203.05272	0.7
213.12596	1.2
213.18472	0.7
231.13594	4.2
245.06395	1.7
259.13110	1.6
263.23611	0.6
281.24857	1.9
289.05405	3.1
299.25815	0.6
300.26196	0.6
317.21136	1.6
339.10791	0.6
375.17700	0.9
393.18845	9.6
435.13913	1.0
435.19913	23.4
479.18915	100.0
480.19296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	0.4
67.05512	0.8
69.03436	2.2
70.97536	0.9
71.04974	0.8
79.05487	0.4
81.03432	1.3
81.07053	1.1
83.04997	0.4
85.02898	2.0
87.00824	0.7
87.55645	0.5
90.26139	0.4
91.05499	0.6
91.96939	0.3
93.07046	1.0
95.04946	0.6
95.08610	1.0
97.02927	0.9
99.04476	0.8
105.07081	0.6
107.08652	0.5
109.02899	1.5
109.10165	0.7
117.03371	0.4
119.08575	0.5
121.10179	1.1
123.11707	0.5
127.03938	3.1
133.10173	0.6
137.06003	1.6
145.02814	0.7
145.04958	0.5
157.07600	0.4
163.03963	1.8
163.11205	0.4
164.04384	0.6
176.96989	0.5
177.05589	0.5
177.16493	0.7
193.41162	0.4
211.17043	0.4
231.13582	2.6
245.06371	0.9
259.13123	0.8
271.04349	0.7
273.06210	0.5
289.05231	0.8
307.07071	0.4
317.06808	0.8
366.48181	0.4
375.17966	0.8
393.14294	0.6
393.18878	9.8
393.23755	0.8
417.18640	0.6
435.13855	0.7
435.19958	21.6
479.18933	100.0
480.19305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69813	0.4
52.59471	0.5
53.03947	0.7
57.03442	0.7
67.05511	0.5
69.03412	2.0
70.06581	1.9
70.66054	1.3
75.42168	0.5
79.05476	1.1
81.03422	3.7
81.07049	1.6
85.02895	2.7
86.09704	0.6
89.03921	7.5
91.05485	1.3
93.07038	0.9
95.04988	0.5
95.08615	1.1
97.02890	1.2
99.04501	0.5
105.07006	0.6
107.04962	1.1
107.08607	1.2
109.02859	1.8
117.03383	19.5
119.75496	0.4
124.74765	0.4
127.03893	1.1
129.07040	0.5
134.03624	1.3
135.04417	5.3
135.11668	0.6
137.06007	2.3
145.02852	48.6
146.03256	0.6
147.04378	0.6
149.05988	6.9
149.09767	0.5
151.07535	0.6
155.10674	0.8
161.05989	0.8
163.03908	31.2
164.04218	1.6
165.04309	1.1
165.05592	0.9
177.05475	100.0
178.05902	0.5
181.04953	0.5
186.05486	0.8
195.06554	1.1
217.42360	0.5
263.09427	0.7
307.08090	0.8
317.06482	0.9
317.11157	0.8
321.09720	3.7
325.09244	1.0
339.10660	3.9
422.13708	0.5
479.15823	0.8
479.26099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.2
55.01862	4.3
55.05513	24.1
57.03440	11.4
65.03934	3.8
67.05506	66.7
69.03442	7.5
69.07063	25.5
70.07420	2.7
71.05004	6.5
71.52361	5.3
79.05499	49.4
81.03420	41.5
81.07056	83.2
83.04981	16.4
83.08618	25.4
85.02913	23.5
85.06547	5.3
91.05479	45.3
93.07045	57.7
95.04979	32.4
95.08599	24.7
97.02906	6.0
97.06526	12.2
97.10182	9.7
105.07040	30.9
107.04958	10.8
107.08581	31.7
109.02962	2.6
109.06532	6.6
109.10207	6.4
111.08094	10.9
113.06056	3.6
115.05493	3.2
115.76053	2.4
117.07010	7.9
119.08604	20.4
121.06466	3.8
121.10139	22.7
123.04476	2.6
123.08007	3.2
123.11706	2.7
125.09636	4.2
127.03903	2.3
129.07031	9.3
131.08554	13.1
133.06511	3.3
133.10135	18.4
135.08057	4.5
135.11731	8.1
137.06007	4.3
143.08606	5.0
145.02884	2.9
145.06516	3.3
145.10184	6.0
147.08084	4.2
147.11719	12.0
149.09648	7.1
149.13298	19.5
149.14331	3.6
151.11230	3.2
157.10185	10.8
159.10651	2.5
159.11684	14.6
163.03902	13.9
163.11186	3.6
164.04242	2.8
165.09221	2.7
165.12775	3.3
165.79245	2.8
175.11226	13.3
177.12764	6.6
193.12256	38.2
195.13843	8.8
211.11327	5.6
211.13266	47.5
211.15007	4.4
213.14700	2.8
267.09207	3.7
267.16010	10.1
269.17523	9.7
285.10162	4.1
349.17044	5.0
351.23532	2.9
365.15359	3.9
369.24365	6.4
387.25299	7.0
461.29108	25.4
479.30127	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	480.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01875	1.8
55.05523	0.8
57.03445	7.7
61.02938	9.0
69.03436	18.7
70.06586	1.3
71.05009	9.0
71.37558	0.9
71.50917	1.1
73.02921	3.6
75.04485	1.5
79.05502	0.9
81.03423	7.6
81.07086	0.8
83.01340	0.8
83.05008	1.2
85.02916	100.0
87.04473	2.4
91.03957	5.1
91.05484	4.1
93.07059	3.9
95.05004	2.2
95.08620	1.7
97.02906	24.3
97.03535	1.5
97.06528	1.8
99.04469	5.8
101.02411	0.8
103.03958	2.2
103.05488	1.9
105.07045	1.2
109.02906	9.5
109.06445	0.8
111.04547	0.8
115.03931	1.2
117.07045	1.2
121.06521	51.5
123.04483	1.1
123.08086	7.0
127.03935	21.5
129.05495	3.9
131.08600	1.0
133.06458	0.8
137.06000	6.7
138.09114	0.9
141.09123	6.7
145.04974	41.7
145.06454	2.2
147.06535	3.5
149.05998	0.9
151.07587	2.4
157.06580	1.7
159.08118	4.2
161.06053	1.1
163.03975	1.1
163.06046	16.6
164.07097	1.3
169.06448	0.8
171.08145	0.9
173.05951	0.7
175.07613	3.4
179.07025	5.8
183.08154	1.6
185.05937	1.0
187.07570	16.4
187.09180	1.2
189.09154	1.6
197.08165	1.4
201.09087	1.5
205.08640	16.8
205.80334	0.9
211.09607	0.9
229.08650	7.3
235.09686	1.8
247.09666	12.3
265.10800	8.2
296.11288	1.5
301.12881	3.4
325.11713	2.0
440.38376	0.8
469.55289	0.7
480.20181	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.309
Annotation	1-18:1-lysoPE
Peak:m/z	Relative Intensity
55.05513	9.9
57.03430	3.5
57.07066	3.4
62.05836	2.4
62.06098	22.7
67.05506	10.7
69.07073	16.6
71.52653	3.1
79.05503	3.0
81.07065	10.9
83.08626	9.6
93.07049	7.8
95.08614	11.1
97.10191	6.5
98.07475	2.7
98.98475	6.1
107.08601	3.2
109.10198	3.6
121.10148	5.6
135.11697	4.6
142.02724	3.4
155.01067	4.5
216.06345	3.2
265.25278	3.2
308.29300	15.2
339.28949	100.0
419.25739	3.2
439.13864	2.9
462.29703	6.5
480.13977	4.1
481.15054	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	481.1115
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
55.05514	2.2
67.05506	4.6
69.03426	2.9
69.07067	3.9
70.79771	3.6
71.05000	1.9
75.77007	1.3
79.05489	2.4
81.03413	6.1
81.07059	6.8
82.20503	1.3
83.05010	1.3
83.08604	3.0
84.13694	1.2
85.02923	4.9
87.00848	2.1
90.97688	1.4
91.05480	4.2
93.07033	3.1
95.08606	7.7
97.02890	2.2
97.06558	3.5
97.10184	1.4
98.97585	3.8
105.01884	1.4
105.07040	4.0
107.08614	2.9
109.02897	3.7
109.10174	5.0
110.97605	1.4
116.98621	1.6
119.08578	2.5
121.06516	1.7
121.10157	4.9
122.38361	1.4
123.08035	1.6
123.11741	3.2
127.03925	5.6
133.10167	2.2
135.11716	2.3
137.05983	18.7
138.06419	1.5
139.11188	1.4
145.10159	2.6
147.04396	1.8
147.11739	1.5
151.07585	2.6
152.92114	1.4
159.11716	1.6
163.03912	2.1
167.07079	3.9
177.05501	1.6
179.14378	1.6
180.14601	1.8
187.07587	1.4
194.94411	1.2
197.15430	2.1
198.15839	1.8
215.14264	3.2
219.01645	1.7
233.15395	2.6
237.03072	2.0
245.08046	1.5
259.09650	1.6
278.66479	1.4
297.11478	2.1
329.96854	1.4
413.11075	2.6
437.12158	11.5
450.38739	1.5
481.11151	100.0
481.19601	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	481.206
Annotation	Longicornin A
Peak:m/z	Relative Intensity
55.05517	4.0
63.54902	1.7
69.07061	2.0
71.04989	3.1
71.51846	3.1
79.05483	7.5
81.03437	4.7
81.07072	5.7
85.02903	3.4
91.05484	10.0
93.07023	3.4
95.04951	2.5
95.08598	5.1
96.78275	1.8
97.02923	2.1
105.07040	9.5
107.08631	3.3
109.06532	3.7
109.10169	4.4
114.21119	1.7
119.04951	22.7
119.08554	8.4
121.06546	2.8
121.10136	2.9
123.08111	1.7
123.11758	4.9
131.04922	2.3
131.08614	1.8
133.10162	6.1
137.06004	7.6
137.09613	10.5
138.06284	1.7
139.11203	5.7
142.75949	2.0
145.10223	2.1
147.04427	85.6
155.10684	14.4
163.03944	2.1
163.35446	1.9
165.05508	2.8
175.14874	3.8
203.05266	2.4
233.15170	2.0
245.06398	7.9
289.05328	30.9
377.19531	2.9
395.20264	2.3
419.20508	5.9
437.21277	8.8
463.19437	78.2
481.20517	100.0
482.20978	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	481.2046
Annotation	Trp Phe Glu
Peak:m/z	Relative Intensity
55.01858	0.3
55.05509	0.4
63.51587	0.4
67.05499	0.7
69.03424	0.8
71.04985	0.4
71.52415	0.5
71.65969	0.3
79.05508	0.4
81.03418	0.5
81.07053	1.1
83.08630	0.6
85.02898	1.1
85.57774	0.3
86.38221	0.3
87.14902	0.4
93.07048	0.9
95.08607	1.6
97.02902	0.5
97.06523	0.4
105.07053	1.0
107.08610	0.8
108.60524	0.4
109.02894	0.5
109.10132	0.6
111.58950	0.3
114.87695	0.4
119.08624	0.9
121.10156	0.8
122.03728	0.4
123.11741	0.6
127.03935	0.6
131.04930	0.4
133.10144	1.6
135.11708	0.7
137.05984	5.7
151.07523	0.5
177.05495	0.8
178.05942	0.5
198.12041	0.5
233.15210	2.1
245.06541	1.0
271.04160	0.4
285.11188	0.5
289.05276	3.6
335.86685	0.4
337.72659	0.4
357.07483	0.4
377.19547	0.7
395.20407	7.2
437.21454	19.9
463.19406	1.0
480.80273	1.8
481.20468	100.0
482.21146	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.05513	0.8
57.03434	0.5
57.07060	0.9
67.05489	1.7
69.03432	2.7
69.07049	1.5
70.94495	1.3
73.02921	0.6
79.05498	4.4
81.03394	2.2
81.07065	9.2
85.02916	3.6
85.59125	0.5
87.00820	1.3
91.05492	4.5
92.02814	0.5
93.07024	2.3
94.45393	0.5
95.04942	0.7
95.08583	2.5
97.02898	1.1
99.04478	0.6
103.05470	0.8
105.01859	0.8
105.07031	11.7
107.04905	0.6
107.08594	6.8
109.02890	1.3
109.06510	5.2
109.10107	0.6
111.08067	1.6
113.05990	1.8
115.05460	0.7
117.07011	3.3
119.08584	17.4
121.06499	1.9
121.10147	1.3
123.08040	1.6
127.03906	1.7
128.06171	0.9
129.06985	1.8
130.07768	2.0
131.08577	4.7
133.06502	3.6
133.10136	3.9
135.08072	5.4
135.11674	4.6
136.37508	0.5
137.05936	1.7
137.23863	0.5
141.06915	1.0
141.72910	0.5
142.07823	0.7
143.08582	1.8
144.05626	0.6
144.09319	1.0
145.04948	1.1
145.06454	2.0
145.10120	12.2
147.08064	1.8
147.11691	1.6
149.09627	1.6
155.08543	2.4
156.09352	2.0
157.10097	2.2
158.07272	2.3
159.02902	0.7
159.08060	8.2
159.11681	3.0
160.08850	0.7
161.09602	0.6
167.08534	2.2
169.10143	2.7
171.11668	1.5
172.08810	1.0
173.09627	100.0
173.13269	1.9
174.09979	1.0
175.11182	2.2
182.10884	3.2
187.11188	14.9
187.14832	8.2
197.13271	8.2
200.11931	1.5
215.14320	48.8
233.15366	53.6
234.15712	0.6
324.09027	0.5
395.20496	1.8
420.75171	0.6
437.21362	5.5
481.20511	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	481.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39162	0.7
55.13339	0.6
57.03433	0.6
57.34156	0.6
59.66098	0.6
61.74146	0.6
67.05495	0.9
69.03429	2.1
70.75480	0.7
70.97225	1.4
73.02924	0.7
79.05500	5.8
81.03428	2.6
81.07056	2.1
85.02897	2.3
85.06564	0.8
89.03925	4.5
91.05489	1.7
93.07038	2.3
105.06992	0.9
107.08612	8.0
109.02908	1.1
115.03970	0.7
117.03385	15.9
119.04948	0.9
122.45178	0.6
125.09680	0.6
127.03880	1.0
132.12770	0.6
134.03632	1.3
135.11653	1.3
137.05980	2.1
145.02861	40.8
147.04463	3.6
149.06000	5.4
163.03954	3.3
164.04234	0.9
164.07036	0.8
169.08565	0.7
177.05482	100.0
178.05786	0.8
186.05507	0.8
195.06573	2.2
201.52559	0.7
202.08601	0.7
301.11938	1.3
319.12921	0.8
321.09750	2.7
339.10782	6.2
341.83313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2049
Annotation	Trp Phe Glu
Peak:m/z	Relative Intensity
52.39753	0.3
67.05496	0.4
71.05914	0.6
71.06258	0.5
74.93311	0.4
75.24626	0.3
78.61014	0.4
81.07048	0.6
93.07068	0.5
95.08630	0.6
105.07053	0.7
107.08610	0.8
119.08574	0.7
127.00108	0.3
133.10158	0.6
135.11687	0.9
137.05983	0.7
173.09608	1.7
175.14751	0.5
177.25330	0.4
177.77200	0.4
190.26331	0.3
215.14253	1.4
233.15164	3.7
245.06361	1.3
289.05283	1.7
304.22476	0.4
377.19553	0.4
395.20447	8.4
419.20483	0.8
437.21490	19.8
481.20486	100.0
482.20990	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03942	2.7
55.01865	0.9
57.03435	0.9
64.09802	0.5
64.99474	0.5
67.05496	1.2
69.03430	5.8
70.06586	0.9
71.05005	0.8
73.02930	0.6
76.30194	0.5
78.03044	0.7
78.03457	7.6
78.85371	0.4
79.05499	4.1
80.05008	2.0
81.03419	13.1
81.07053	4.5
83.01321	0.7
84.08173	0.6
85.02914	5.3
91.05496	2.8
93.07032	3.3
94.04186	0.6
95.04973	0.6
95.08620	2.4
96.04507	1.8
97.02911	3.7
99.04465	2.9
103.05446	1.8
105.07037	8.2
106.02917	33.4
107.04977	0.9
107.08632	1.0
109.02889	8.9
109.06534	2.4
111.83450	0.5
113.93539	0.5
115.05437	1.2
117.07013	0.8
118.66551	0.5
120.08082	0.7
121.06539	2.5
122.03654	1.1
122.65971	0.5
123.08070	2.1
124.03957	100.0
125.02333	0.6
127.03915	4.0
131.05009	0.6
131.08401	0.5
133.06497	7.6
135.04410	1.0
135.08035	1.4
137.05977	13.2
138.06342	4.7
138.09161	3.4
147.04465	0.7
149.05983	5.8
149.15790	0.5
150.06357	0.6
151.07588	2.6
153.09117	1.6
161.05995	9.0
164.07166	0.6
166.04904	0.7
166.08650	6.8
177.05556	0.7
179.07043	16.7
184.09724	1.1
197.08086	12.3
197.09790	0.8
205.01428	0.5
208.16830	0.5
215.09129	0.5
220.85916	0.5
226.07045	0.6
232.06158	1.2
250.07133	15.4
266.08990	1.1
268.08163	63.9
286.09177	20.1
286.12201	0.9
297.11209	1.0
298.11557	1.4
315.12430	0.9
316.12683	2.2
438.17453	0.6
446.14343	2.4
464.15512	20.7
482.16623	2.2
482.22446	0.9
483.15009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.05504	4.4
57.03419	3.3
57.07069	2.3
67.05495	3.8
69.03436	10.7
69.07083	5.6
69.21562	11.7
71.04984	1.4
77.03922	1.5
79.05495	9.8
81.07054	11.5
83.04986	1.5
85.02907	10.0
85.06532	1.2
85.51190	1.1
87.04476	7.6
91.05479	14.2
93.07047	100.0
95.04958	2.6
95.08628	6.4
97.02896	8.7
97.06534	1.1
105.07000	7.6
107.08598	56.2
109.10153	3.1
115.03940	8.0
117.03427	1.3
117.07145	1.4
118.38232	1.1
119.06080	1.6
119.08583	4.8
120.08077	2.3
120.09351	1.4
121.10104	1.4
133.04976	9.9
133.10075	1.7
135.11697	95.1
137.06003	1.9
137.13266	5.5
139.66081	1.1
141.10323	1.2
145.02855	1.7
146.05928	1.2
147.04378	2.5
164.07066	6.3
173.08044	2.9
177.05469	5.1
178.05835	4.0
256.81476	1.5
295.10309	2.4
379.20029	1.6
482.23169	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	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.8
53.03943	5.3
55.01862	1.3
55.05513	4.6
57.03444	11.1
57.07076	1.9
61.02910	1.4
67.05508	7.4
69.03087	2.7
69.03432	33.8
69.07068	5.1
69.69884	8.0
73.02892	1.9
77.03926	1.8
79.05499	13.1
81.03420	3.2
81.07063	12.6
83.04994	2.5
83.08580	1.9
85.02909	31.2
85.06574	1.9
87.04481	22.0
91.05483	25.5
93.07050	100.0
95.04961	7.6
95.08613	17.6
97.02893	29.9
97.03521	1.5
97.06539	4.3
98.21437	1.8
105.04520	2.0
105.07010	7.8
107.08600	98.3
109.02843	2.5
109.06536	3.9
109.10153	5.1
115.03938	38.2
119.08573	5.6
121.06470	1.9
121.10152	6.3
123.04397	2.2
123.11714	2.0
127.03947	4.8
130.75616	1.2
131.08513	2.1
133.04974	39.0
133.10139	4.7
135.04391	2.2
135.11697	90.2
137.09567	1.3
137.13277	2.8
143.08629	1.6
145.02917	2.8
145.04956	5.7
145.10149	3.3
147.04408	3.3
147.11711	3.0
153.00873	1.4
153.12790	8.7
157.10129	2.9
159.11740	1.9
163.03906	14.1
163.06013	3.2
164.07036	1.9
171.13841	1.7
175.11276	1.3
177.05464	2.0
177.12779	8.6
178.05779	2.0
208.09683	2.4
219.13728	2.7
231.13766	1.9
245.13268	1.5
249.14909	3.1
259.08087	3.6
267.15897	4.8
277.09259	2.3
295.10257	5.5
383.70605	1.5
463.79010	1.4
482.21957	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	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
54.76411	1.7
55.01871	6.5
55.05507	6.9
57.03442	3.0
57.07074	16.1
59.04996	3.5
59.21912	1.4
61.02930	2.5
67.05512	2.4
68.99803	1.9
69.03429	16.4
69.07070	54.4
71.04997	5.3
71.08641	8.5
71.52406	2.7
73.02904	3.1
73.06557	7.1
75.54708	1.5
78.52727	1.7
78.97287	1.6
79.05461	1.8
81.03425	14.9
81.07054	3.4
83.08633	2.1
85.02909	37.8
85.10181	4.4
87.00849	19.8
89.06037	27.7
97.02899	26.0
99.04455	5.5
105.01868	29.6
105.06985	1.7
109.02905	16.0
110.96474	1.5
111.11725	78.3
117.01883	1.5
127.03920	33.1
129.01784	2.0
129.12762	100.0
137.05977	3.8
137.63805	1.6
139.07588	1.4
145.04990	16.1
159.02910	6.4
199.16977	17.3
213.03970	3.7
217.17998	21.7
231.04996	10.4
234.09082	1.5
249.06116	3.8
255.86864	1.7
296.09131	2.9
359.11926	1.5
359.16818	3.0
420.15839	1.7
430.08774	1.7
459.47327	1.7
501.39426	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01869	1.5
55.05517	7.3
55.91048	0.5
57.03439	1.0
57.07092	2.4
61.02931	1.4
67.05509	0.9
69.03429	4.8
69.07076	66.8
69.84182	2.2
71.04991	4.3
71.08640	2.1
73.02911	1.2
73.06578	0.9
81.03423	3.5
81.07085	0.6
83.08624	3.4
85.02913	11.7
85.10181	1.1
87.00846	5.0
89.06047	1.1
95.08619	0.6
97.02895	5.0
99.04459	1.8
105.01894	4.2
109.02874	3.1
111.11731	100.0
122.72162	0.5
127.03933	8.1
129.12798	4.3
145.04988	2.3
159.02904	1.5
199.16953	40.2
217.18015	25.6
218.18311	0.7
228.89041	0.5
231.05023	1.0
243.55347	0.6
332.95474	0.6
340.56134	0.5
377.41016	0.6
425.33704	0.5
508.53574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.4
57.13821	0.6
60.78202	0.6
71.50706	1.0
71.95255	0.9
75.20467	0.7
83.17092	0.7
98.96957	1.6
98.97591	26.7
116.98623	11.3
132.96574	1.3
134.99643	2.9
156.96649	1.4
172.94347	0.8
174.97696	6.0
190.95587	1.6
192.98701	3.4
196.94635	1.1
198.97775	1.2
208.96562	0.9
214.95648	11.4
216.98738	5.0
232.96706	17.9
234.99736	5.8
238.95639	1.4
240.98883	2.2
250.97827	7.1
256.96686	46.0
257.96747	1.3
258.99854	11.7
260.00037	1.5
262.89124	0.7
274.97720	69.3
275.97891	2.5
276.97931	1.5
277.00824	10.7
278.01025	1.2
280.96701	3.3
283.00031	8.5
284.00055	1.2
289.96539	0.9
290.95728	1.2
292.98685	12.4
297.99310	1.2
298.97763	84.1
299.97876	3.0
300.97858	1.1
301.00980	9.7
302.00842	0.8
314.95560	1.6
316.98825	100.0
317.99030	3.6
325.76303	0.7
332.96555	0.9
334.99963	2.1
340.00519	2.1
340.98862	2.9
356.96765	1.2
358.99951	6.1
374.97955	4.1
380.97302	1.3
398.97733	7.0
401.00943	2.1
402.01535	0.8
404.18408	0.7
416.98929	13.8
417.99048	1.2
422.97708	6.4
425.00998	0.8
428.74915	0.7
440.98981	88.1
441.99063	3.6
443.02060	1.8
456.96729	0.8
459.00021	83.1
460.00150	4.0
482.01254	3.5
483.00293	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
53.88437	0.4
66.60496	0.6
69.03419	1.6
69.16923	0.5
69.54813	3.6
75.31850	0.5
79.05502	1.3
81.03404	2.5
81.07056	0.8
85.02888	1.8
85.06533	0.5
89.03920	3.9
95.08610	0.5
97.02895	1.0
97.78472	0.5
105.07030	1.2
107.04944	2.1
109.02898	1.4
111.15399	0.5
117.03393	5.3
122.06018	0.5
123.08087	0.6
124.07593	0.6
127.03916	1.1
132.60880	0.5
135.04420	13.4
137.06004	0.7
145.01785	0.7
145.02858	9.4
163.03912	100.0
164.04245	0.6
164.07098	0.6
169.12312	0.6
177.05547	0.6
181.04971	3.4
231.63046	0.5
307.08063	3.0
325.09183	5.8
386.43756	0.5
483.14462	0.6
487.66531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92221	0.5
69.03427	1.1
70.64494	0.4
70.64808	0.8
71.42898	0.4
79.05470	1.1
81.03420	2.2
81.07040	0.6
85.02886	1.4
85.06540	1.4
89.03921	4.4
95.08591	0.8
100.01419	0.4
105.07007	0.8
107.04945	1.8
109.02875	1.1
117.03397	7.4
127.03924	0.6
135.04427	12.1
135.11710	0.4
141.09077	0.6
145.02855	9.9
145.14688	0.4
147.04434	1.1
153.12769	0.7
163.03911	100.0
164.04236	0.6
170.84128	0.5
181.04956	4.1
307.08054	2.8
325.09198	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	483.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01869	0.8
55.05512	10.6
57.03431	2.6
57.07081	4.2
57.81245	0.6
59.05000	1.7
59.66848	0.6
61.02914	0.6
65.03951	0.7
67.05505	19.2
69.03428	8.1
69.07082	7.4
71.04993	8.6
71.08588	1.1
78.90923	0.7
79.05486	5.1
81.03426	7.5
81.07056	100.0
82.07397	0.7
83.05007	0.9
83.08620	2.1
85.02910	8.5
85.06543	7.8
89.06031	1.8
91.05481	2.4
93.07047	12.0
94.07361	1.1
95.04971	6.3
95.08611	18.6
97.02912	3.9
97.06500	1.1
97.10171	10.3
98.96361	0.8
99.04475	2.8
99.08105	1.4
105.07037	4.0
107.08611	5.7
109.02879	9.5
109.06493	3.8
109.10138	3.2
109.38602	0.7
111.04465	0.9
111.08088	2.8
113.06077	0.9
117.05485	1.4
121.06516	1.1
121.10144	2.7
121.39466	0.7
123.08073	1.0
123.11709	75.8
125.09606	0.9
127.03919	13.9
133.10123	4.9
135.11713	2.2
136.12045	1.2
137.05992	0.9
139.11206	1.1
141.12761	2.4
145.05086	0.8
147.04431	2.2
151.11185	15.9
153.07541	1.4
163.03899	1.9
169.12241	58.0
184.84644	0.6
187.13300	22.2
189.14899	2.2
229.14377	2.1
231.13618	0.8
235.16951	0.8
249.14842	1.9
277.14362	1.9
295.15399	11.7
313.16461	6.5
331.17520	31.6
358.08844	0.6
423.68927	0.8
432.42126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01871	0.7
55.05514	4.3
55.72742	0.6
57.07073	2.9
67.05504	4.2
69.03429	3.0
69.07073	2.2
71.05006	4.3
71.51103	1.1
79.05498	1.8
81.03425	3.2
81.07060	1.6
83.04987	7.2
85.02920	3.7
85.06554	100.0
91.05493	2.2
93.07047	4.0
95.04991	1.1
95.08614	4.7
97.02905	3.6
97.06541	8.8
99.04477	0.9
99.05605	0.7
101.06024	1.5
103.07600	3.1
105.07053	2.0
107.04990	0.7
107.08601	1.6
109.02903	2.6
109.10169	4.6
111.08086	1.1
113.06042	1.3
117.03388	1.2
118.11928	0.6
119.04993	0.7
119.08595	0.8
121.06530	1.4
121.10134	4.0
122.06044	0.7
123.08059	4.3
127.03959	4.5
131.08603	1.4
135.04436	2.1
135.08145	0.7
135.19624	0.6
136.07567	1.0
137.05991	1.8
137.08017	0.9
137.09662	0.9
138.09222	0.8
139.09561	0.8
139.11185	11.0
141.09131	0.6
145.02888	1.9
145.04968	1.0
147.04433	1.6
149.06024	1.0
149.09660	4.6
151.03949	1.2
163.03922	14.7
164.04292	0.7
164.07126	1.3
166.08664	3.0
167.10692	42.0
171.13875	0.6
177.05505	3.4
178.05902	1.5
179.06024	1.0
181.05013	0.8
182.62151	0.7
203.12802	3.3
227.09160	0.7
245.10274	2.1
293.13974	1.5
311.14847	3.7
329.15988	4.6
347.17105	9.0
349.38898	0.7
356.87024	0.6
427.12518	0.8
483.15884	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	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	21.0
55.37321	0.7
57.03446	8.0
57.07084	9.5
67.05499	3.7
69.07074	25.8
69.54794	1.5
69.55202	3.4
71.08645	5.2
79.05475	2.6
81.07068	3.9
83.08153	1.5
83.08627	22.4
85.10181	3.0
93.07060	2.5
95.08615	4.1
95.75592	0.8
97.06539	2.1
97.10173	14.3
98.98473	7.8
104.79478	0.7
107.08591	2.0
109.10168	1.2
111.08014	0.9
111.11742	3.9
121.10160	2.9
132.84698	0.8
135.11743	2.5
155.01074	4.6
191.49747	0.8
199.80617	0.8
311.25833	100.0
312.26221	1.7
447.25082	2.4
461.26187	0.9
483.32880	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26123	1.1
55.01852	1.6
55.05507	2.6
56.09204	1.1
56.53342	1.3
57.03433	4.1
58.01870	1.5
59.05001	3.9
64.98142	1.2
66.42867	1.1
66.66457	1.3
67.05502	7.2
69.03433	22.7
69.07070	10.7
69.32829	5.9
69.33256	4.4
71.04978	1.5
74.03271	1.4
79.05505	6.3
81.03423	2.2
81.07063	100.0
83.08619	2.7
85.02906	17.2
85.06550	1.4
87.04479	14.7
89.15148	1.3
91.05508	2.2
93.07038	2.7
95.08615	27.4
97.02904	17.3
99.08098	9.4
105.07018	3.4
107.08620	2.1
109.10192	1.4
111.11749	1.6
115.03952	17.9
119.08612	2.2
121.10132	1.5
121.60258	1.3
123.11623	1.7
127.03946	1.8
131.08611	1.4
133.04980	22.1
133.10106	1.9
135.08020	1.4
137.13269	39.1
144.95102	1.3
147.11731	2.4
149.13304	2.6
155.14320	16.4
161.13316	1.9
163.03938	2.3
165.12764	1.6
179.14214	2.1
203.14394	1.8
214.42456	1.6
215.14391	2.0
216.13852	1.6
233.15305	2.1
251.16438	3.8
259.08060	1.3
260.44196	1.4
269.17529	4.8
277.09137	1.6
287.18442	3.7
295.10355	1.6
307.10178	1.4
333.10812	3.2
403.49658	1.6
452.18143	4.5
484.20944	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	484.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.05508	3.6
57.03431	4.1
57.07063	2.3
59.04989	3.3
67.05518	5.8
69.03435	19.6
69.07072	7.5
71.53100	1.7
79.05489	6.7
81.03414	2.7
81.07061	100.0
83.04967	2.4
83.08619	5.3
85.02902	15.6
85.06550	1.9
87.04477	11.6
90.77202	1.3
91.05487	1.6
91.30814	1.2
93.07049	4.9
95.08615	30.1
97.02307	1.4
97.02894	17.4
99.04478	1.3
99.08100	8.4
105.07021	6.3
107.08570	2.6
109.06503	1.4
111.11718	2.5
115.03949	21.7
119.08572	2.6
120.08022	1.2
121.10135	2.3
123.11690	1.7
124.03917	1.9
127.03934	2.1
131.08597	1.3
132.65068	1.2
133.04973	22.5
137.13263	42.6
137.97380	1.2
141.09035	1.2
145.04944	1.9
145.10126	1.8
147.04416	2.0
147.11674	3.0
149.13223	2.9
153.12720	1.6
155.14325	18.4
159.11714	1.5
161.13260	2.5
163.03886	1.4
165.12796	2.7
170.29114	1.3
179.08614	1.3
179.14293	1.7
197.15414	1.4
215.14449	2.2
219.07681	2.6
233.15285	1.2
251.16423	4.7
253.09637	1.2
259.08173	1.6
263.16537	1.5
269.17499	4.9
287.18503	4.7
295.10257	1.5
333.10718	4.1
338.15237	2.3
452.18149	4.8
484.20856	18.0
484.28436	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27518	6.8
55.05514	10.9
57.07079	12.7
67.05503	23.9
69.07075	23.1
70.25327	7.9
70.25665	28.9
79.05507	12.2
81.07069	50.4
83.08624	12.0
88.07630	9.4
89.06029	6.6
90.95018	6.0
93.07081	35.5
95.08617	100.0
97.10136	9.0
99.08878	5.7
99.23702	6.1
104.49009	6.1
105.07041	19.5
107.08585	64.2
109.10174	72.1
119.08601	47.2
121.10153	67.8
123.11706	29.2
133.10143	28.8
135.11681	34.2
137.13216	11.0
145.10173	7.9
147.11670	26.9
149.13286	32.9
159.11688	12.6
161.13330	32.4
163.14839	41.6
175.14844	19.1
177.16396	26.1
187.14861	6.5
189.16371	19.9
190.22191	7.3
191.17975	98.9
201.16379	13.1
202.13086	6.5
203.17947	36.1
205.19536	10.9
207.17332	9.3
215.18019	11.1
217.19577	57.6
221.19031	16.7
233.18929	7.0
235.20599	52.4
241.19403	7.1
245.22507	7.5
287.09079	6.9
395.36481	13.0
413.37637	27.2
420.59607	7.0
425.37799	88.9
443.39304	33.5
484.35040	24.1
484.47128	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	484.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	15.7
57.07069	11.3
67.05493	12.0
69.07071	26.3
69.79449	30.2
69.79864	11.7
72.04511	21.1
81.07076	42.5
83.08608	10.4
88.07627	9.5
91.05473	14.5
93.07066	34.4
95.08602	83.1
97.10180	9.5
105.07046	21.4
107.08608	44.4
109.10163	55.0
109.23729	7.1
112.63505	8.3
119.08612	34.1
121.10147	50.5
123.11687	15.2
133.10161	20.7
135.11690	27.7
147.11729	28.4
149.13242	19.6
156.21376	7.2
161.13188	22.1
163.14835	29.6
173.35901	7.1
175.14868	18.0
177.16374	21.8
187.14842	16.4
189.16385	18.7
190.77081	6.3
191.17978	100.0
201.16324	11.0
203.17940	33.5
205.19466	14.7
207.17508	8.3
215.17897	7.8
217.19472	55.4
221.18980	17.9
228.23320	9.3
233.19308	6.6
235.20619	49.4
238.57672	7.5
263.23541	6.8
284.75620	7.3
395.36578	15.9
413.37811	9.7
425.37750	77.3
443.38977	38.9
484.33932	8.5
484.47137	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	485.2022
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
50.43525	0.5
54.85258	0.5
63.00317	0.5
66.00728	0.4
69.03431	1.6
70.06598	0.7
70.95277	1.1
70.95630	0.5
71.04979	0.8
74.01719	0.5
79.05494	3.7
81.03433	2.3
81.07037	1.1
83.04999	0.5
85.02921	2.8
85.06538	1.3
86.09735	0.7
89.03922	3.3
91.05473	2.0
93.07059	1.2
95.08575	0.6
97.02911	1.2
97.06544	0.7
107.04946	2.2
107.08599	5.8
109.02852	1.6
117.03380	5.6
119.04962	3.3
121.10174	0.9
123.08072	2.2
125.09652	1.1
127.03934	1.0
135.04428	11.4
136.07587	0.7
137.05962	1.5
139.11200	0.5
141.09094	2.0
143.10684	1.5
145.02852	11.5
145.03996	0.6
145.10045	0.5
147.04414	15.9
163.03908	100.0
164.04289	0.7
164.07120	0.7
165.05463	0.9
167.10600	0.8
177.05489	1.6
179.03433	0.6
181.04990	4.5
194.33734	0.6
221.05821	0.5
228.34616	0.5
262.74246	0.5
307.08188	3.4
309.09775	1.4
325.09161	9.5
378.18805	0.6
485.24924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
65.88282	2.1
67.05502	6.4
69.07053	9.3
70.23322	7.1
71.04995	2.6
76.56173	1.9
79.05505	12.8
81.03412	5.4
81.07046	5.4
82.02372	2.2
83.04952	3.2
89.88763	2.1
91.05475	5.9
93.07027	4.9
95.08610	8.0
97.05931	2.8
97.06541	51.3
99.50394	2.3
105.07027	4.6
107.04958	5.3
107.08575	6.1
109.06518	2.2
109.10158	2.8
111.08070	2.9
116.06142	2.2
117.06993	3.0
119.08574	6.5
121.10188	3.9
122.47860	2.2
123.08083	2.2
125.06018	2.5
128.06252	3.9
129.06976	2.7
131.04903	3.2
131.08604	4.5
132.05634	2.2
133.10135	4.5
135.08063	2.8
135.11687	2.9
136.05208	5.5
141.07104	2.6
145.06468	5.2
145.10092	4.6
146.07225	3.2
147.11722	2.7
151.07552	75.0
153.05472	15.0
156.05667	2.3
157.06439	4.5
158.07268	6.0
159.04369	5.0
159.08066	4.7
159.11681	3.7
160.05170	3.6
160.08728	2.4
161.06020	4.6
161.13231	3.2
165.05489	4.1
165.09227	3.0
172.08804	4.0
173.05981	9.5
174.06796	21.7
175.07515	4.5
175.14767	2.7
177.09143	2.4
179.07068	2.5
182.07271	3.1
184.05165	3.4
187.07558	5.9
188.08295	7.5
189.05455	4.2
189.09137	52.3
189.16301	4.2
190.06215	3.5
191.07060	6.8
195.08147	2.3
196.86011	2.1
197.05904	2.2
199.07504	3.4
201.09103	18.9
203.06958	12.4
203.08887	2.1
203.10712	9.2
209.05937	3.1
211.07637	4.5
219.10179	8.0
221.09698	3.0
227.07001	7.5
228.07915	3.2
231.10158	6.9
233.08116	2.9
235.07484	2.3
237.09077	3.4
239.06992	2.2
240.07857	3.9
241.05003	3.0
241.08575	7.6
247.07594	2.3
248.08275	2.5
249.09076	4.1
249.11287	12.7
251.10553	3.2
253.08588	14.9
255.06511	8.2
255.10193	2.5
256.07175	6.1
257.08038	3.5
263.10806	3.4
265.08560	3.3
266.09479	3.0
269.08005	2.7
269.11691	4.8
270.08847	22.2
271.09662	5.9
276.07852	2.4
277.08612	4.7
278.09445	3.5
279.10223	3.4
280.10986	2.7
283.09622	9.1
285.07590	5.9
287.12787	6.8
291.10159	6.9
292.11020	3.2
293.08075	3.1
294.08762	2.5
297.11163	2.7
298.08167	6.2
299.09125	52.1
299.12738	12.7
300.09796	13.3
307.09445	6.3
308.10336	3.4
309.11160	5.0
311.09323	2.9
311.12799	4.7
320.10379	3.9
321.11234	10.4
323.09125	3.3
323.12823	5.7
327.12308	2.6
329.13843	8.5
334.38815	2.4
335.12888	4.1
337.10422	2.8
339.12317	4.1
341.13824	8.9
351.12354	4.3
352.13065	6.2
353.13638	4.6
370.14026	10.2
396.15707	100.0
397.16229	6.3
409.16281	8.3
419.18546	3.6
431.18832	3.2
437.19455	3.4
439.31900	4.5
449.19803	18.4
467.20679	38.5
467.31406	7.0
485.32016	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	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.7
55.01879	5.3
55.05509	10.0
57.03431	2.5
59.05011	2.6
60.30680	2.3
61.41705	2.2
67.05512	20.6
68.99802	2.5
69.03442	13.1
69.07075	9.1
70.81950	4.1
71.05002	3.8
73.02905	2.0
79.05502	27.3
81.03430	11.0
81.07065	100.0
83.04984	4.3
85.02917	28.5
85.06534	4.0
87.00840	11.8
91.05491	21.2
93.07051	58.5
95.04968	7.7
95.08619	31.6
97.02892	10.4
97.06534	10.1
99.04480	3.9
105.01891	8.5
105.07035	46.9
105.07693	2.8
107.08599	40.6
109.02875	12.8
109.06535	7.4
109.10172	23.9
111.08085	7.1
117.07026	6.5
119.08576	29.7
121.10151	52.5
123.08066	5.6
123.11717	9.1
125.09650	4.5
127.03931	16.5
129.07018	2.7
130.07738	2.9
131.08580	15.3
133.10130	30.7
134.42180	2.4
135.08093	4.4
135.11694	9.6
137.09612	6.0
143.64772	2.2
144.09355	4.2
145.04935	6.1
145.10143	45.5
147.11696	8.4
149.13258	5.2
151.11192	8.7
157.10112	3.3
159.02881	5.0
159.11711	36.5
161.13272	19.8
163.10023	2.4
163.11156	12.2
173.13269	6.6
175.14897	3.8
191.18117	2.3
201.16414	44.4
219.17471	21.8
231.05022	2.5
237.18283	4.2
408.39825	2.4
485.21506	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	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41679	2.6
55.05505	11.8
57.07071	4.4
67.05515	19.4
69.03423	7.1
69.72903	15.7
71.04982	11.2
79.05472	6.1
81.03415	9.5
81.06596	6.4
81.07059	100.0
85.02904	10.2
85.06529	8.2
91.05497	5.7
93.07043	12.3
95.04955	5.1
95.08614	17.2
97.10153	9.5
103.56244	3.0
105.07034	6.5
107.08593	7.2
109.02875	6.0
109.06520	6.8
109.10133	4.1
111.08076	4.8
119.08554	3.3
121.10152	4.3
123.11713	73.3
127.03896	13.9
131.08517	3.6
133.06476	5.6
133.10106	7.3
137.05960	19.9
137.08939	2.8
141.12790	3.5
145.10115	5.0
147.04352	3.0
151.07582	3.6
151.11183	18.1
158.60712	3.2
161.06012	15.7
165.05513	20.5
169.12250	49.4
173.06053	3.5
174.13943	2.8
175.07634	4.7
177.05496	4.2
177.89877	3.1
179.07048	7.8
185.05983	6.0
187.13338	11.8
189.05592	4.0
203.07036	14.4
217.08582	3.5
221.08249	5.0
223.28133	2.7
227.07072	7.8
245.08160	9.2
263.09167	7.8
271.15390	13.5
295.15659	5.7
331.17422	23.3
382.85089	3.0
440.19125	3.2
449.21448	3.4
467.22830	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	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01864	3.3
55.05519	8.4
56.06221	1.5
56.58071	1.5
65.03949	2.2
67.05508	18.8
69.03431	7.9
69.07076	7.5
69.31962	5.8
69.32392	7.2
71.04986	4.1
75.19715	1.6
79.05497	27.3
81.03432	8.4
81.07063	100.0
83.04990	3.1
83.08628	2.5
85.02915	13.2
85.76510	1.5
87.00821	4.5
91.05484	12.9
93.07053	34.3
95.04954	6.0
95.08611	20.9
97.02879	3.7
97.06509	4.9
99.04437	2.3
103.05485	1.5
105.01894	2.2
105.07037	28.0
107.08603	24.3
109.02888	5.7
109.06528	5.9
109.10165	22.3
111.04448	2.3
111.08085	6.4
117.07001	4.1
119.08579	20.2
121.06476	1.9
121.10151	28.9
123.08078	9.2
123.11740	3.7
125.09623	3.0
127.03934	5.4
127.07549	1.5
130.07779	3.1
131.08560	9.8
133.09331	1.5
133.10141	13.2
135.08038	3.2
135.11705	6.2
137.05995	2.1
137.09608	5.5
144.09268	1.6
145.10129	25.0
147.11694	6.1
148.67458	1.7
149.09605	4.6
149.13287	3.8
151.11200	6.9
153.33969	1.5
159.02879	1.8
159.11708	19.0
161.13258	10.5
163.11191	14.2
165.12714	4.5
173.13301	6.4
175.07567	1.6
175.14796	2.7
177.12691	3.6
201.16396	25.7
209.04539	1.8
219.17508	17.4
237.18561	2.2
248.13608	2.1
287.94016	1.8
452.39896	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.01862	3.0
55.05510	7.0
57.03431	1.8
61.02913	2.0
65.03947	2.6
67.05508	18.1
68.99789	1.8
69.03426	6.8
69.07075	8.6
71.05010	4.5
71.52543	1.9
79.05493	22.2
81.03413	7.7
81.07056	100.0
83.04977	2.1
83.08618	3.0
85.02916	12.3
85.06544	3.3
87.00827	6.0
91.05485	15.0
93.07051	23.8
93.61816	1.5
95.04974	3.5
95.08613	19.3
96.08960	1.5
97.02895	6.8
97.06529	3.2
99.04472	2.0
105.01865	2.2
105.07029	22.4
107.08601	24.2
109.02867	6.4
109.06525	6.4
109.10154	16.4
111.08085	7.5
113.33760	1.5
117.07019	4.8
119.08577	19.5
121.06535	1.6
121.10149	24.9
123.08073	6.4
123.11746	8.1
125.09635	3.1
127.03922	5.9
127.07559	2.1
129.07019	2.1
131.08571	11.0
133.10135	20.2
135.08054	3.1
135.11684	6.7
137.05994	5.0
137.09628	5.4
143.08577	2.2
144.09334	1.8
145.04941	2.8
145.10135	21.2
147.11688	8.7
149.09630	4.0
149.13272	4.4
151.11212	6.7
159.02884	1.9
159.11710	20.0
161.13280	6.3
163.11191	13.0
165.12729	2.4
169.12309	2.2
171.11716	2.1
173.13281	4.5
175.14893	3.3
177.05428	1.9
177.12738	2.4
191.14299	2.9
191.17996	3.3
201.16385	23.8
215.99831	1.5
219.13860	3.2
219.17438	21.8
220.73485	1.4
237.14873	3.8
237.18625	1.8
485.20761	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	485.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.05518	4.0
57.03446	1.8
61.49524	1.6
67.05506	10.1
69.03435	10.5
69.07072	18.5
71.05010	2.7
71.08627	1.7
71.52003	2.4
79.05109	1.6
79.05492	7.9
80.26060	1.6
81.03441	5.1
81.07065	15.8
83.04982	3.1
83.08624	3.3
85.02921	9.7
85.06570	2.6
87.00832	4.7
91.05482	8.5
93.07056	25.4
95.05004	4.1
95.08609	18.2
97.02908	5.1
97.06550	2.6
98.97566	1.7
99.04465	2.6
105.01868	6.1
105.07022	15.5
107.08600	21.4
109.02888	5.9
109.06541	6.5
109.10175	30.3
111.08104	5.4
117.07017	3.5
119.08598	12.6
121.06513	34.2
121.10157	12.8
123.08098	4.9
123.11697	9.2
125.09640	2.2
127.03940	7.2
129.07007	1.8
131.08598	6.7
133.10159	8.4
135.08067	44.0
135.11710	16.5
137.06044	1.8
137.09674	3.1
143.08540	3.5
145.05025	3.0
145.10126	22.4
147.11694	7.7
149.09688	7.8
149.13254	2.8
151.11201	2.1
157.10139	4.0
159.11717	15.4
161.13297	7.9
163.11189	13.2
163.14848	2.1
173.13297	6.3
175.14824	7.8
177.12782	1.7
177.16420	3.9
178.11023	1.7
185.13503	2.1
187.14891	3.5
189.16518	3.5
191.14267	2.3
191.17995	5.4
199.14830	2.7
201.16411	21.3
203.14496	1.9
219.17448	100.0
220.17949	1.6
233.11653	1.8
237.18510	56.3
449.22012	2.5
485.32806	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	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98118	0.9
53.03946	6.6
55.01856	4.4
55.05502	7.1
57.03437	5.2
57.07060	1.6
59.05016	1.0
61.02927	1.5
65.03947	1.0
67.05505	11.5
69.03434	22.3
69.07069	64.5
70.55575	2.3
70.55899	1.0
71.04995	6.0
71.08626	1.0
73.02905	1.1
79.05494	12.8
81.03421	13.8
81.06591	1.9
81.07056	28.7
83.01340	1.0
83.04995	4.8
83.08604	2.4
85.02438	1.5
85.02907	18.5
85.28120	1.0
87.00822	10.3
91.05481	16.4
93.07044	72.4
95.04457	1.0
95.04983	6.6
95.08611	27.6
97.02888	7.0
97.06538	12.6
97.10153	2.6
99.04438	4.0
99.08112	6.6
105.01860	6.7
105.04440	0.9
105.07032	17.4
107.08597	21.3
109.02894	11.9
109.06519	5.2
109.10159	19.7
111.08075	2.8
113.09647	31.0
115.07573	1.6
117.07016	3.5
119.08592	11.2
119.31915	1.0
121.06492	3.9
121.10144	33.5
123.08055	4.5
123.11709	10.1
125.09608	7.2
127.03907	16.8
127.11163	1.9
129.01859	1.6
130.07814	2.3
131.08598	6.0
133.10127	8.3
135.08081	3.7
135.11693	8.7
137.05983	2.4
137.09624	1.7
139.11183	27.7
143.08589	1.8
145.04947	4.4
145.10121	19.7
147.02814	1.3
147.11690	5.8
149.09613	12.5
149.13235	5.7
149.54674	1.1
151.11205	7.1
153.12746	1.0
159.02840	6.0
159.07906	1.3
159.11713	9.1
161.13245	7.0
163.11200	14.1
165.12743	1.4
173.13249	2.6
175.07552	1.0
175.14767	1.7
177.12805	1.5
177.16376	2.4
185.13286	1.3
191.17961	3.5
201.16408	13.7
203.17917	1.8
219.17445	100.0
221.19012	12.3
231.04991	3.5
237.18497	19.1
249.05984	1.1
449.21658	1.5
485.23682	4.2
485.32797	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	485.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	20.1
55.01877	10.8
55.05506	31.7
57.03449	10.9
57.07067	7.2
61.02931	11.0
67.05511	46.7
68.99785	6.1
69.03438	46.4
69.07072	19.7
70.81831	4.1
71.05003	14.5
71.51974	4.9
73.02924	10.3
75.31248	4.4
79.05499	25.3
81.03420	43.8
81.07062	91.7
83.04996	27.7
83.08636	10.7
85.02914	89.0
85.06545	16.2
87.00852	31.7
88.84381	4.3
91.05483	30.8
93.07059	61.5
95.04993	15.7
95.08619	100.0
97.02906	22.8
97.06545	41.7
99.04468	20.6
99.08102	7.2
105.01881	24.7
105.07030	53.8
107.08603	67.7
109.02897	33.1
109.06522	17.1
109.10170	53.9
111.08074	7.6
113.06039	13.0
117.06994	6.5
119.05017	5.3
119.08591	43.4
121.06519	8.7
121.10149	65.3
123.08060	16.9
123.11719	80.9
125.09630	12.8
127.03942	54.0
131.08603	10.8
133.10147	29.1
135.08124	9.9
135.11694	26.3
137.06003	15.0
137.09625	5.6
145.05002	16.5
145.10152	37.6
147.02911	5.7
147.11737	41.1
149.09636	11.1
149.13242	10.1
151.07542	29.3
151.11208	15.8
157.10139	5.1
159.02928	12.6
159.11720	30.8
161.09659	8.2
161.13298	20.4
163.11223	11.9
167.10674	8.4
169.12282	8.9
170.14761	4.6
173.13287	9.5
175.14830	7.0
177.12802	8.5
177.16394	8.0
179.07086	5.1
179.14345	7.5
185.13329	4.8
191.17979	8.8
201.16385	40.2
203.17874	5.3
213.72328	5.1
219.17488	67.6
231.05022	11.6
237.18500	35.0
359.11661	4.8
485.16949	7.1
485.32886	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	485.3267
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05492	2.0
58.93482	0.8
64.69189	0.8
67.05494	3.1
69.07064	2.4
71.03484	1.5
71.04999	1.0
77.09428	0.6
79.05472	2.2
81.03385	0.7
81.07062	5.2
91.05474	2.5
93.07040	6.5
95.04968	1.5
95.08607	6.2
98.02917	0.8
105.07034	7.2
107.08608	8.1
109.06542	1.1
109.10154	3.9
111.08083	1.1
117.07040	1.6
119.08593	8.6
121.06484	1.1
121.10105	4.2
123.08102	0.9
123.11711	1.5
129.07013	1.0
131.08566	5.6
133.10161	5.8
135.08014	0.9
135.11696	3.8
143.08580	2.3
145.10143	5.8
147.08034	1.6
147.11716	4.0
149.09644	1.0
149.13234	1.5
151.11198	1.0
153.09219	0.8
157.10107	2.8
157.90494	0.7
158.10945	1.0
159.08113	0.8
159.11671	3.5
161.09665	2.3
161.13284	2.2
163.14806	1.4
169.10118	1.8
171.11682	2.2
173.09622	1.2
173.13239	6.4
175.11162	1.6
175.14850	3.3
177.12801	0.9
177.16452	0.9
181.10126	1.4
183.11739	1.3
185.13306	2.1
187.14781	4.0
189.12773	1.0
189.16394	3.4
191.14348	1.4
195.11633	1.5
197.13287	2.5
199.11162	0.9
199.14859	1.5
201.12775	1.1
201.16374	1.8
209.13268	1.1
211.14827	2.0
213.12794	1.6
213.16328	0.8
215.14447	1.0
217.15984	1.8
219.13925	2.3
223.14809	1.0
225.16531	1.5
227.17929	0.9
229.15865	1.2
233.15419	1.0
245.15639	0.8
251.18001	1.1
285.41986	0.8
295.17044	1.1
313.21631	1.0
366.51547	0.9
397.27390	1.2
403.30148	1.5
421.31088	5.7
439.31787	2.4
449.30670	2.7
467.31610	100.0
468.31757	2.1
485.32709	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	486.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.11589	0.2
57.03436	0.3
65.03936	0.4
69.03433	0.9
70.06620	0.4
71.04980	0.5
71.09582	0.5
79.05475	0.2
81.03413	1.1
81.07048	0.5
85.01120	1.6
85.02915	0.7
91.05467	0.6
95.08580	0.3
97.02901	10.5
99.04447	0.8
101.87366	0.3
103.02161	0.4
107.04964	1.1
108.43841	0.2
109.02883	1.5
109.06506	0.5
112.02214	2.0
119.04970	0.4
121.06527	0.5
124.07616	0.2
127.03943	2.6
137.05962	1.2
138.09143	1.0
140.01665	2.6
144.04785	0.5
147.78876	0.3
152.01669	0.4
158.02750	0.5
163.03941	0.7
163.20064	0.3
166.08614	2.2
170.02716	8.8
184.09763	0.4
188.03783	100.0
189.04083	0.6
189.09082	0.3
206.06581	0.3
230.04808	1.1
296.05884	0.6
314.06961	20.7
324.14764	0.4
332.07941	2.2
468.13254	0.9
486.14072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50858	0.2
61.94516	0.2
69.03451	0.6
71.47598	0.5
77.62874	0.3
79.05490	2.0
81.07056	0.3
85.02866	1.2
91.05466	0.7
93.06550	0.2
93.07019	1.2
95.04971	0.3
95.08595	0.3
97.02877	0.9
98.97587	0.6
103.05474	5.6
105.07034	0.6
107.04959	1.7
107.08601	1.8
113.77937	0.2
118.06609	0.3
119.07279	0.3
120.08104	100.0
121.06573	0.3
121.08436	0.6
123.08049	0.3
123.24062	0.3
125.09584	0.2
127.03941	0.5
131.04945	3.0
137.05988	0.7
141.09077	0.4
143.10681	1.7
145.04851	0.3
149.05951	1.6
158.99673	0.3
163.03874	0.5
164.05942	0.3
166.08638	56.4
167.08990	0.3
177.00691	0.3
177.44353	0.3
219.01714	0.5
254.09099	0.7
324.14975	0.4
486.17859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16317	1.2
53.03944	3.2
55.05514	9.4
57.03456	2.2
57.07071	3.9
59.04991	2.0
65.03938	1.3
67.05513	17.9
67.18044	1.2
69.03435	7.7
69.07056	6.7
71.05003	9.9
71.51694	1.8
71.52090	1.3
73.08289	1.3
79.05497	5.4
81.03444	6.1
81.07064	100.0
82.07401	1.6
83.08627	3.4
85.02918	9.2
85.06561	6.8
89.06029	2.7
91.05495	3.0
93.07047	8.8
95.04994	4.4
95.08070	1.7
95.08627	17.8
97.02898	5.2
97.06522	3.0
97.10184	7.9
99.04434	1.9
99.08120	2.0
105.07046	6.2
107.08607	7.2
109.02905	8.9
109.06522	4.4
109.10165	5.8
111.04473	1.3
111.08095	3.8
113.06011	1.2
113.09692	1.2
119.08585	2.3
121.06523	3.5
121.10184	4.0
123.11718	78.9
127.03932	16.1
128.07111	2.2
133.10124	6.0
137.05981	2.5
139.11150	1.9
141.12720	3.0
145.04939	1.6
145.10165	1.4
147.11655	1.5
151.11195	12.5
163.03928	3.4
166.08707	1.9
169.12256	51.3
187.13318	34.7
197.49889	1.3
220.17838	2.4
229.14420	2.8
249.14931	2.1
259.09634	3.5
271.15442	2.0
277.14340	5.1
295.15448	16.5
313.16357	9.1
325.10587	1.4
331.17538	46.9
486.34116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
52.16522	0.6
53.03945	5.0
53.80301	0.7
55.01870	1.6
57.03433	1.2
57.04756	0.6
58.53152	0.6
65.03927	1.1
69.03435	10.6
69.07062	1.1
69.72007	0.6
70.06588	0.9
71.04996	1.5
71.51582	0.9
76.30291	0.7
77.03933	3.2
79.05513	1.1
81.03423	22.9
81.07039	0.7
85.02908	8.9
86.09698	1.3
88.62679	0.6
88.67575	0.6
89.03926	3.6
91.05489	15.5
92.78195	0.6
93.07050	3.3
94.04176	1.5
95.04967	2.5
95.08644	0.7
97.02914	3.4
97.06510	0.8
99.04465	2.8
103.05486	4.0
105.03401	5.7
105.04516	1.1
105.07030	1.3
107.04984	2.0
107.08574	1.2
109.02882	9.6
109.06519	1.7
109.10123	0.8
117.03398	5.2
117.06992	1.1
118.04095	0.8
119.04948	17.2
120.12086	0.7
121.06536	7.3
121.10143	1.4
122.03650	2.2
123.08083	1.5
127.03925	4.3
131.04968	1.6
133.02863	100.0
134.03641	0.8
135.04408	5.5
137.05984	17.7
141.09077	1.6
145.02846	5.0
145.06499	1.6
147.04410	10.1
149.05994	27.1
149.09595	1.3
150.06790	13.7
157.04016	2.5
158.03677	0.8
161.02406	0.7
161.06006	5.0
162.03123	1.6
163.03931	6.2
163.07648	1.0
165.05507	12.1
173.05962	3.3
173.57384	0.6
175.03922	38.3
176.04025	0.7
176.06157	0.7
177.05478	7.0
177.07039	3.0
186.03069	1.1
189.05440	0.8
189.07048	0.9
193.05014	3.5
194.07411	1.0
201.05475	16.4
201.07199	1.1
205.06493	5.5
206.07129	0.7
219.06470	1.6
219.08321	1.3
221.05978	2.6
222.06769	2.6
233.05981	9.3
235.07399	0.7
237.09113	1.5
239.16499	1.1
247.07629	2.7
249.05421	3.9
250.06169	3.0
251.07021	1.0
261.05475	5.0
264.07962	1.0
265.08661	4.8
275.07129	1.8
276.07605	0.8
277.05069	2.3
278.05811	1.1
279.06683	0.7
292.07373	4.5
293.08115	9.1
297.11209	1.4
302.62759	0.8
307.09857	3.8
311.14371	0.7
325.10730	49.9
342.55032	0.7
427.13782	0.8
469.08279	1.6
469.14981	30.1
487.15787	7.1
487.21939	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	487.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.3
54.94738	2.1
55.01879	2.6
55.05516	4.0
58.18754	2.8
66.13340	2.2
67.05493	3.9
69.03434	4.0
69.07074	5.7
71.51722	2.9
79.05511	7.0
80.90284	2.5
81.03432	6.1
81.07059	9.7
85.02904	3.0
91.05478	4.3
93.07073	7.1
95.08619	6.4
97.02918	5.8
97.06548	4.4
103.05485	2.5
105.07047	6.7
107.08608	6.8
109.02888	3.4
109.06549	3.1
109.10174	7.7
115.05491	2.1
119.08607	8.1
120.08938	3.9
121.10144	3.6
123.08072	2.7
127.03935	3.6
131.08603	2.7
133.10098	4.4
135.04430	35.3
137.05949	13.6
145.10161	2.5
147.11763	4.3
148.11980	2.3
149.02336	3.2
151.07567	4.6
159.04466	3.9
161.06021	12.8
161.13336	3.7
163.03940	10.4
163.07503	5.6
165.05635	3.0
165.07051	9.1
167.08604	6.5
173.06055	2.5
175.07588	3.5
177.07004	3.5
185.05956	2.7
188.04713	8.0
189.09050	2.8
191.07036	7.4
193.06540	9.5
195.08110	7.4
197.05975	3.0
203.07018	24.6
203.18053	5.7
204.18338	6.7
205.06567	2.6
205.08598	3.8
207.08115	3.8
209.08131	5.3
210.06766	5.1
212.08322	4.0
221.06015	16.4
222.06870	3.1
223.07709	11.9
225.05530	5.3
225.09132	10.3
231.06419	3.8
231.33337	2.3
235.07578	4.3
237.09135	2.6
240.07845	3.9
251.07034	25.8
253.08659	10.6
263.07040	3.4
264.28278	2.9
265.08636	10.2
267.06171	2.8
267.10254	4.1
268.07333	3.8
275.07193	4.9
277.08621	5.1
280.07327	4.7
283.09705	81.2
288.08044	2.4
292.07285	3.9
293.08188	6.4
295.09686	15.6
305.08179	5.1
307.06729	2.3
307.09750	18.1
317.08081	4.3
319.09555	4.2
320.06830	3.3
323.09158	2.5
325.10745	100.0
331.09619	3.9
335.09204	4.7
337.10779	4.2
349.10883	10.3
354.11353	2.4
365.10208	2.7
403.11603	4.6
415.11633	5.7
433.12817	7.7
451.13831	5.2
458.55869	2.4
469.15161	5.2
504.23633	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01868	2.7
55.05505	3.4
57.03423	2.2
59.49742	0.9
64.74027	1.0
67.05502	3.6
69.03432	9.7
71.04978	4.0
71.53146	1.4
73.02872	1.1
79.05497	3.5
81.03420	21.4
81.07060	9.3
83.04979	3.5
85.02900	11.1
87.00838	1.9
91.05499	6.5
93.07038	3.9
95.04979	2.4
95.08611	4.9
97.02902	3.9
97.06535	1.5
99.04450	2.7
103.05486	0.9
105.01875	1.5
105.07036	3.8
106.13948	1.0
107.04958	1.9
107.08591	4.4
107.86041	0.9
109.02886	14.4
109.06538	1.6
109.10169	2.3
111.04458	4.0
111.55129	0.9
113.94411	1.0
115.05409	2.1
117.03390	1.6
117.07006	2.1
119.04976	4.7
119.08574	2.9
121.06477	1.5
121.10128	2.0
122.03685	1.5
123.04516	1.0
123.11730	5.2
127.03923	5.7
131.04945	1.5
131.08549	0.9
133.06497	1.0
133.10104	2.2
135.04416	4.5
135.11703	4.5
137.05983	17.6
141.03329	1.1
145.02872	3.2
145.05032	1.5
145.06467	1.9
147.04425	4.4
147.11671	2.1
149.05948	2.4
150.06691	1.9
151.03867	2.7
158.03560	1.8
159.04469	1.6
160.05252	1.0
161.05933	1.6
161.13339	1.0
163.03926	12.9
165.07005	1.9
165.12782	2.4
173.05969	4.7
174.06761	0.9
175.03929	2.7
175.07559	2.9
176.06152	1.1
177.05595	1.4
177.07014	3.6
180.40268	0.9
186.03110	6.8
189.05411	1.8
191.03331	6.5
193.05019	2.2
193.06528	1.4
194.07294	5.3
199.07571	1.3
201.05444	16.0
203.06975	1.8
203.08635	1.3
203.18045	1.4
204.05667	1.4
205.06483	15.7
209.04462	6.7
211.07532	1.4
219.08112	2.5
221.06010	3.4
221.15450	1.5
221.18927	1.5
222.06743	12.3
227.06960	1.5
233.05984	17.0
234.06749	4.3
235.07555	1.3
237.09067	11.8
239.06998	2.1
239.16444	2.6
247.07549	3.0
248.08241	1.4
249.05453	6.3
249.09163	1.2
250.06265	16.3
251.06989	2.1
255.06621	1.1
259.07416	1.1
261.05518	2.9
264.07791	6.8
265.08597	28.5
266.09378	2.2
267.06519	4.5
269.08142	1.1
275.07089	2.3
277.04904	3.1
278.05762	8.0
278.08456	1.2
279.06873	1.3
279.10211	3.1
281.07953	1.5
282.08878	4.0
291.06424	1.1
292.07352	16.8
293.08087	28.2
293.11423	1.4
294.08905	2.0
295.06058	2.5
297.11325	4.9
305.08221	1.4
307.09653	40.4
310.08264	2.3
317.07932	1.3
324.77246	1.1
325.10712	100.0
326.10822	1.1
331.15408	2.3
337.10638	4.2
343.11908	1.2
349.10812	2.7
359.14633	2.1
361.16306	2.2
377.16135	1.8
403.11966	1.9
415.11807	1.4
427.14008	1.0
463.90921	1.1
469.14841	27.6
487.15961	8.4
487.20825	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	15.6
55.01868	13.6
55.05507	4.8
57.03428	8.9
61.02945	5.0
62.30003	2.3
67.05490	4.2
68.99786	5.3
69.03436	47.4
69.07077	4.9
70.06590	4.5
71.04988	12.0
73.02922	7.7
73.62096	2.4
79.05491	9.0
81.03426	48.3
81.07047	15.6
83.04993	19.5
85.02914	73.0
85.06545	22.8
87.00838	28.6
89.03918	8.8
91.03925	2.8
91.05481	11.6
93.07044	15.9
95.04977	17.8
95.08614	11.1
97.02892	27.3
97.06536	8.2
98.97559	5.0
99.04464	22.7
103.05460	5.3
105.01884	18.4
105.07029	10.3
107.04966	3.8
107.08597	12.0
109.02885	40.6
109.06538	11.5
109.10149	8.6
111.08083	9.8
115.03942	4.1
117.03343	12.8
117.07021	3.3
119.04920	4.8
119.08604	12.8
121.06506	10.4
121.10153	10.3
123.08054	11.7
127.03925	70.0
129.01855	3.9
131.08557	5.5
133.02838	14.5
133.06493	4.6
133.10141	11.7
135.04424	16.7
135.08044	10.3
137.06023	13.5
137.09601	7.4
139.07533	6.6
139.11198	3.5
141.09088	4.3
143.08575	5.6
145.02893	15.2
145.04985	18.9
145.10132	5.1
147.02895	4.8
147.04430	12.7
147.08000	7.5
149.06009	8.3
149.09596	8.3
151.07555	100.0
151.11125	2.9
153.09132	7.9
157.10121	4.0
159.02911	19.0
161.09607	11.0
163.02560	5.7
163.03915	97.9
163.07570	8.0
163.11179	4.6
164.06833	2.6
165.05482	3.0
165.09132	11.7
167.10640	12.2
175.03943	6.4
175.07449	3.5
175.11211	5.7
179.10670	16.1
181.08606	7.0
185.09685	2.5
185.46324	2.6
191.10657	15.0
197.11752	10.7
201.05498	3.7
203.10683	16.6
209.11737	38.6
213.03958	3.2
221.11713	18.6
231.05034	10.5
233.11955	3.2
239.12811	32.2
281.13922	5.2
307.19125	3.2
325.10709	6.9
332.30859	3.4
333.40924	3.1
469.15240	3.6
487.17285	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1938
Annotation	2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside
Peak:m/z	Relative Intensity
53.03949	3.2
55.01863	3.6
56.82983	1.0
57.03440	4.3
59.17187	1.1
59.51671	0.9
61.02932	2.2
67.05504	1.3
69.03436	18.0
70.76298	2.7
70.76627	1.2
71.05007	7.6
73.02902	1.4
79.05490	1.4
81.03427	24.6
81.07061	3.1
83.04970	3.1
84.08144	1.9
85.02904	12.6
86.09730	1.6
87.00850	3.1
89.03923	1.8
91.05486	3.4
93.03400	1.1
93.07058	1.8
95.04969	2.5
95.08630	1.7
97.02911	8.0
99.04471	7.9
104.18392	1.1
105.01855	1.8
105.07099	1.1
107.04942	2.4
107.08623	1.1
109.02873	5.0
111.08077	1.4
117.03332	2.4
117.05506	2.7
118.06572	2.7
119.04953	1.5
121.06518	2.5
121.10146	1.4
123.08078	1.6
127.03925	8.9
133.02826	1.9
133.10121	2.4
135.04425	4.1
135.64781	1.2
137.05984	4.8
145.02890	3.3
145.04944	2.6
145.07617	4.2
145.10178	1.3
147.04320	1.7
147.08080	1.7
147.09195	3.9
149.09544	1.6
151.07570	11.9
159.02925	2.3
161.09612	1.7
163.03918	27.6
163.07442	1.9
165.09090	2.6
169.09746	1.4
173.07167	7.1
175.08737	5.6
179.10709	2.2
184.88773	1.2
188.69070	1.2
190.07314	1.3
191.08171	100.0
197.11751	1.2
203.10753	1.3
209.11743	5.1
221.11748	3.5
239.12778	5.0
289.11603	1.6
289.18048	1.4
299.16034	1.1
307.09396	1.4
307.12921	25.9
325.13971	76.9
326.14267	1.4
343.65063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
53.93980	0.4
55.05516	2.6
57.07082	2.3
65.69810	0.4
67.05524	2.3
69.03421	1.5
69.20776	3.5
70.06584	0.4
70.45232	0.4
71.04991	1.4
79.05494	1.3
81.03416	2.0
81.07065	1.3
83.04993	3.5
85.02926	1.7
85.06549	100.0
91.05484	0.7
93.07051	3.8
95.04986	0.6
95.08627	3.8
97.02901	2.5
97.06540	4.6
99.04446	1.0
102.55875	0.5
103.07602	2.2
105.07036	1.5
107.08617	0.8
109.02901	1.3
109.10173	3.1
111.08110	0.8
113.06052	0.8
114.59681	0.4
117.26681	0.4
119.47735	0.5
121.06502	0.4
121.10160	3.6
123.08041	3.2
127.03944	2.6
131.08589	0.9
137.09668	0.8
139.10115	1.0
139.11189	18.0
149.09607	4.3
155.10664	0.8
156.91994	0.4
160.80188	0.4
162.05533	0.5
163.03934	1.2
167.10689	38.2
185.11800	0.7
203.12730	0.9
211.09763	0.5
227.09258	1.0
287.18256	0.4
293.14008	0.7
311.14911	3.1
329.15991	9.0
347.16870	2.3
357.09534	0.6
461.08356	0.4
467.06583	0.5
476.54706	0.5
487.21255	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	487.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	3.0
53.03947	11.7
55.01842	3.1
55.05514	23.5
57.03431	2.5
65.03944	5.0
67.05509	66.4
69.03410	2.7
69.07074	15.2
69.91026	3.8
71.04970	3.4
73.06528	3.3
77.03919	1.6
79.05499	100.0
81.03426	14.8
81.07060	62.5
83.04993	17.2
83.08627	8.6
85.02854	1.6
85.06525	3.6
87.04457	1.3
91.05486	82.7
93.07050	74.2
93.07617	1.5
95.04391	1.7
95.04970	30.3
95.08609	40.3
97.02848	2.2
97.06534	7.7
97.10173	4.9
103.05411	1.5
105.04498	3.9
105.07036	59.7
107.04971	8.8
107.07885	1.7
107.08595	28.0
109.06506	9.9
109.10155	8.6
111.08054	2.9
115.05424	1.8
117.07013	14.3
119.08591	38.5
121.06522	5.4
121.09492	0.8
121.10149	10.4
121.54260	1.0
123.08061	10.0
123.11710	1.4
127.07547	2.6
128.06194	3.6
129.07018	22.9
131.08583	6.3
133.06441	1.4
133.09290	1.3
133.10141	16.4
135.08014	1.7
135.11635	4.2
137.09618	2.4
141.07007	1.9
141.09027	2.1
142.07698	1.3
143.08585	11.8
145.10143	15.2
147.07961	4.5
147.11694	44.0
148.11978	1.3
153.09099	1.0
155.08511	1.3
156.09250	2.3
157.10037	1.6
159.11630	4.4
161.09694	5.4
161.12041	1.2
161.13261	21.0
163.03940	5.1
163.11076	4.1
163.12349	1.1
163.14796	2.7
169.10153	2.4
171.11688	42.8
173.09592	1.3
173.13139	2.9
175.14827	12.6
177.16281	2.2
179.14244	4.6
185.13206	2.0
187.11188	1.2
187.14781	4.1
189.11102	1.7
189.12749	18.9
189.16319	4.2
191.17957	2.0
195.11569	1.5
199.14857	1.3
201.16357	2.2
203.14308	2.5
203.17838	2.5
205.15787	1.6
207.13817	52.6
207.17206	2.3
217.15767	1.3
221.15277	3.6
225.14726	8.4
231.17305	1.0
249.14767	4.6
263.16348	3.5
279.15939	1.1
281.17426	5.1
290.82526	1.0
358.14670	1.1
377.24243	1.1
405.31424	2.4
423.32242	2.4
426.47922	1.0
433.30527	1.4
441.33710	10.9
451.31625	3.0
469.33786	5.4
487.30185	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.342
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
52.23295	3.5
55.05515	15.8
57.07062	3.5
59.09561	3.2
67.05502	16.6
69.03423	4.9
69.07066	15.9
70.63977	5.1
70.64336	6.7
79.05472	14.2
81.03407	5.6
81.07051	36.8
83.08611	8.1
83.33491	3.4
89.05409	3.2
91.05464	16.0
93.07045	30.2
95.04961	4.3
95.08614	48.8
97.06487	4.6
97.10135	4.5
105.07039	38.8
107.08602	50.8
109.10154	22.2
119.08584	56.5
121.06511	3.5
121.10157	43.0
123.08106	4.9
123.11696	7.4
125.09603	4.9
129.06999	4.1
131.08563	25.9
133.10144	66.7
135.08020	7.9
135.11681	25.3
143.08533	8.6
145.10130	39.2
147.11688	32.9
149.09576	7.7
149.13304	18.4
151.07509	3.8
155.08478	3.3
157.10176	22.1
159.11690	32.1
161.09607	10.4
161.13268	17.2
163.03899	6.6
163.11122	4.0
163.14787	12.2
169.10118	8.2
170.10872	4.3
171.11673	16.2
173.09546	6.2
173.13261	32.5
175.14838	38.7
177.09085	8.2
177.16357	11.4
179.10683	4.2
183.11673	3.8
185.13348	15.8
187.11154	5.3
187.14818	44.1
189.12724	7.8
189.16409	36.2
191.14236	5.0
197.13312	8.9
199.14746	19.1
201.16422	28.7
203.14325	11.5
203.17940	9.7
204.18295	3.6
205.15923	8.3
207.17403	4.9
211.14851	5.4
213.16338	9.6
215.14383	17.4
215.17888	7.2
217.15840	21.0
223.16855	5.2
225.16246	3.9
227.17955	7.7
229.15936	8.2
229.19464	13.2
231.17477	5.8
233.15324	8.2
235.16885	15.7
241.19394	5.5
247.16920	22.2
249.14836	4.5
250.44067	3.5
251.16411	12.8
261.14709	4.3
269.19138	3.8
293.21280	5.6
327.23166	5.9
387.30142	6.4
405.31534	29.7
423.32596	39.8
433.30936	19.8
441.33685	58.2
451.32159	100.0
469.33267	92.2
487.34882	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	487.3423
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
53.03951	0.4
54.16684	0.3
55.05516	1.7
57.07072	0.4
67.05511	2.4
69.03443	0.6
69.07074	2.3
69.98122	0.6
72.08163	0.7
79.05489	1.8
81.07059	4.9
83.04972	2.0
83.08632	1.5
91.05478	2.1
93.07053	5.0
95.04961	0.8
95.08615	8.1
97.06555	0.5
97.10202	0.5
105.07040	8.2
107.08605	7.7
109.06523	1.1
109.09474	0.5
109.10175	6.0
109.10922	0.4
111.08068	0.9
117.07034	0.8
119.08586	10.9
121.06501	0.7
121.10159	9.2
123.08084	1.2
123.11709	2.2
125.06045	0.3
125.09547	0.5
128.06245	0.5
129.07048	0.5
131.08578	2.7
133.10133	9.5
135.08060	1.5
135.11720	3.6
137.09622	0.9
137.13251	0.5
139.07559	0.8
139.11182	0.4
141.06999	0.6
142.07799	0.4
143.08577	2.1
145.06564	0.5
145.10135	6.4
147.08073	1.0
147.11688	4.0
149.09645	1.7
149.13278	2.5
151.11209	1.1
153.09131	0.8
155.08560	1.0
156.09412	0.5
157.10147	3.6
158.10892	0.5
159.08070	0.7
159.11687	3.6
161.09654	2.7
161.13272	3.1
163.03979	0.3
163.07535	0.7
163.11215	1.1
163.14868	1.8
165.09157	0.5
169.10133	1.1
171.11696	2.7
172.12540	0.5
173.09653	0.9
173.13235	4.1
175.11212	1.1
175.14835	8.1
177.12773	1.3
177.16364	1.5
179.10684	0.3
183.10323	0.3
183.11671	2.1
185.13257	1.8
187.11218	1.0
187.14824	6.2
189.12778	1.9
189.16382	8.5
191.14322	0.8
191.17932	1.6
193.15874	1.0
195.11662	0.3
197.13145	1.5
199.14818	3.5
201.12785	1.1
201.16344	1.6
203.14322	1.0
205.15877	1.1
207.17560	0.5
209.13318	0.4
210.13962	0.4
211.11290	0.4
211.14725	1.7
213.16454	1.1
215.14339	4.6
215.18004	0.8
217.15907	3.0
219.17511	0.4
223.14861	0.7
225.16385	0.9
227.18004	1.7
229.15944	0.8
229.19603	0.6
231.17462	0.5
233.15408	1.9
235.14883	0.5
235.17000	1.5
239.18028	0.9
241.19600	0.6
243.17403	0.7
245.15367	0.4
251.16399	3.0
253.19579	1.6
255.17603	0.4
255.21069	0.6
261.14877	0.5
265.19519	0.6
267.21133	0.5
271.20593	1.9
273.18591	0.6
283.20554	0.5
285.22128	0.7
289.18134	0.3
291.21255	0.4
303.19479	0.5
309.22229	0.5
315.84875	0.4
317.21271	1.1
347.27274	0.3
383.97021	0.3
387.30551	1.1
405.31537	3.1
423.32669	2.2
433.31161	2.9
441.33749	3.5
451.32077	12.6
469.33160	9.3
487.34219	100.0
488.34479	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	487.3422
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
53.03944	0.4
55.05519	2.1
55.83398	0.3
57.07077	0.6
67.05504	2.0
67.31136	0.4
69.03424	0.9
69.07066	3.1
71.27662	0.8
79.05491	1.5
81.07059	4.4
83.04978	2.7
83.08611	1.3
91.05447	2.2
93.07053	4.0
95.04973	1.0
95.08614	6.9
97.06556	0.5
97.10202	0.5
105.07027	7.8
107.08594	5.6
109.06526	1.4
109.10156	6.2
111.08081	0.9
117.07030	0.9
119.08583	10.0
121.06532	0.5
121.09341	0.5
121.10151	6.6
123.08045	0.8
123.11718	2.1
125.09687	0.4
129.06984	0.7
131.08539	2.7
133.10130	8.4
135.08063	1.4
135.11699	3.5
137.13237	0.8
139.11205	0.5
141.07002	1.0
143.08559	1.7
145.06505	0.4
145.10107	5.8
146.05502	0.4
147.08008	0.6
147.11679	3.6
149.09616	1.4
149.13274	2.5
151.11183	0.9
153.09164	0.8
155.08521	0.9
157.10109	2.4
159.08052	0.8
159.11684	3.7
161.09607	2.6
161.13278	2.2
163.03758	0.4
163.11163	0.9
163.14801	2.4
165.12759	0.4
169.10126	1.2
171.11737	2.2
173.09651	0.9
173.13277	4.3
174.60585	0.4
175.11229	1.1
175.14828	7.9
177.12823	0.9
177.16411	1.7
183.11693	1.4
185.13297	1.7
187.11229	0.5
187.14828	5.5
189.12790	1.4
189.16391	12.4
191.14297	1.4
191.17957	0.6
193.15929	1.1
197.13280	2.7
199.14799	3.0
201.12724	0.5
201.16409	1.5
203.14375	1.3
203.17926	0.5
205.15886	2.0
207.17529	0.8
211.14850	1.8
213.16429	1.4
215.14293	3.5
217.15871	6.8
225.16418	0.9
227.17967	1.8
229.15887	1.0
229.19530	0.5
231.17491	1.2
233.15384	1.7
235.16910	2.8
239.18019	0.6
241.19414	0.6
243.21095	0.8
245.15533	0.5
245.18915	0.6
247.17043	0.4
251.16162	0.8
253.19492	2.3
257.18942	0.7
261.15033	0.4
267.21216	0.5
269.19125	0.5
271.20566	4.1
317.21051	0.7
387.30658	0.8
405.31339	3.1
423.32727	3.2
433.31195	1.1
441.33633	8.0
451.32251	3.6
469.33221	3.9
487.34198	100.0
488.34821	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	487.342
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
50.54477	5.4
55.05507	9.4
57.07063	6.3
67.05499	21.3
67.70243	5.4
69.07076	10.8
70.10493	17.0
78.52149	6.5
79.05495	23.4
81.03397	8.4
81.04930	6.0
81.07063	41.4
81.90009	6.2
83.04997	12.6
83.08596	10.0
85.02919	7.9
91.05453	28.9
93.07065	43.1
95.04939	9.2
95.08607	64.1
97.06525	10.4
97.10212	7.3
105.07032	69.0
107.08598	57.6
109.10155	32.6
111.08064	9.3
117.07006	17.8
119.08595	97.5
121.06507	8.1
121.10138	46.0
123.08087	5.5
123.11715	12.4
129.07022	6.4
130.06245	6.5
131.08565	68.4
133.10156	53.7
135.11696	16.3
137.06026	8.2
143.08549	20.8
145.10146	79.2
147.11703	41.7
149.13257	28.0
157.10121	26.4
159.11705	51.8
161.09598	7.9
161.13289	20.4
163.03935	11.5
163.14819	22.7
163.40236	6.8
171.11652	14.5
173.13232	46.5
175.14801	48.0
177.16383	19.2
185.13286	24.5
187.14833	100.0
189.16344	31.2
191.14326	28.6
199.14833	38.4
201.16364	93.1
203.14319	20.7
203.17889	34.3
205.15866	62.5
207.17603	8.3
209.15388	16.5
213.16368	14.9
215.17960	7.5
217.15912	14.9
221.15399	16.1
247.16949	16.1
303.06793	6.9
405.31573	50.3
407.33228	13.3
409.30475	7.6
423.32306	14.6
433.31198	11.3
441.33585	43.5
451.32217	29.8
474.66440	6.8
487.34219	9.7
491.55496	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	487.3422
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
55.05500	2.3
57.03435	0.6
57.07073	0.7
58.86322	0.5
67.05511	3.9
69.03435	0.9
69.07067	2.6
71.06458	1.2
77.71043	0.5
79.05490	3.2
81.03403	1.1
81.07056	9.1
83.04963	2.0
83.08614	1.7
83.99639	0.6
85.02904	0.9
85.06539	0.8
91.05476	4.7
93.07044	8.6
95.04993	1.7
95.08610	10.6
97.06521	1.6
97.10143	0.6
97.69501	0.5
105.06398	0.9
105.07037	11.4
106.07365	0.7
107.08607	10.1
108.80923	0.6
109.06527	1.4
109.10149	6.7
111.08070	1.4
117.07010	1.5
119.08585	15.1
121.06532	1.3
121.10150	8.9
123.08048	1.1
123.11696	1.8
125.09633	1.1
127.03947	0.6
129.06993	1.3
131.08560	5.7
133.10144	9.6
135.08080	1.6
135.11688	5.5
137.05971	0.9
137.09627	0.8
137.13226	0.5
139.07550	0.9
141.06953	0.6
142.07838	0.8
142.81677	0.6
143.08545	2.9
144.06871	0.6
145.06367	0.8
145.10126	8.4
147.08066	1.5
147.11685	7.0
149.05994	0.8
149.09628	1.8
149.13287	2.8
153.09111	0.7
155.08571	1.2
157.10132	3.4
159.08080	1.4
159.11722	4.6
161.09619	3.2
161.13264	3.4
163.03873	1.0
163.07591	1.0
163.11148	1.0
163.14848	2.0
165.12796	0.7
169.10150	1.6
171.11691	3.3
173.09674	1.5
173.13316	4.2
175.11180	2.3
175.14827	6.1
177.12639	0.7
177.16368	1.2
183.11714	1.8
185.13310	1.5
187.11157	0.8
187.14827	5.3
189.12813	0.8
189.16385	9.7
191.14313	2.2
191.17953	2.4
197.13234	1.3
199.11162	0.6
199.14799	5.1
201.12796	0.9
201.16393	3.0
203.14256	1.0
203.17989	1.9
204.18330	0.9
205.15875	1.3
207.17451	6.8
209.15364	0.9
211.14873	0.8
213.16409	1.3
215.14360	1.7
215.17998	1.1
217.15933	3.9
217.19531	0.8
219.13782	1.4
225.16275	0.6
227.18036	1.5
229.19550	1.2
233.15363	2.0
235.16930	2.6
241.19528	1.0
247.17024	0.6
251.16338	4.4
253.19528	1.6
257.18896	0.6
267.20941	0.6
271.20612	1.7
288.50186	0.6
303.19662	1.0
317.21326	0.6
405.31451	2.0
421.31183	0.8
423.32617	2.3
441.33722	8.0
451.32013	1.9
469.33325	1.3
487.34192	100.0
488.34604	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	487.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.9
55.05500	13.1
56.96555	4.0
57.07050	4.8
61.02924	5.0
67.05495	16.6
69.03435	19.2
69.07076	25.8
69.59462	16.1
69.59875	10.6
70.06594	7.2
71.04999	6.8
79.05505	21.7
81.03416	31.0
81.07059	56.2
83.04981	10.8
83.08627	6.3
85.02915	22.0
91.03939	6.6
91.05492	24.7
93.07052	37.2
95.04964	11.4
95.08604	62.2
97.02890	16.5
97.06508	6.4
97.10188	5.1
99.04478	4.3
103.05496	3.8
105.07025	64.3
107.04994	6.4
107.08598	56.8
109.02872	9.9
109.10148	26.6
111.04437	5.0
111.08089	6.2
115.05470	7.1
116.07091	7.6
117.07047	7.6
119.08589	72.8
121.06519	8.4
121.10159	35.8
123.08075	7.8
123.11712	16.5
123.29609	3.4
125.09609	9.2
127.02904	3.8
127.03921	14.2
131.04970	4.5
131.08562	40.7
133.10132	49.0
135.04422	4.1
135.08064	6.5
135.11674	15.4
137.06007	32.8
137.13315	4.5
143.08542	9.8
145.10120	50.8
147.11681	36.1
149.09566	9.9
149.13266	12.0
151.03848	6.4
151.07564	9.5
153.05490	5.1
153.09140	4.9
155.08591	7.4
157.10135	18.5
159.11716	38.3
161.09621	6.7
161.13303	17.9
163.03925	16.8
163.07603	7.6
163.11287	4.9
163.14801	14.9
165.09053	5.3
170.10860	4.8
171.11702	17.7
173.05978	5.8
173.13254	37.0
175.03900	8.6
175.11232	5.4
175.14841	30.0
177.12683	4.6
177.16402	14.7
182.13847	3.6
183.02335	10.6
183.11725	4.7
185.13252	20.5
186.03087	7.8
187.14815	57.5
189.16406	28.9
191.14297	19.9
191.18019	6.0
194.07303	10.3
195.14052	3.9
197.13332	6.4
199.14857	25.8
201.05478	17.5
201.16389	48.2
203.07068	5.6
203.14304	14.7
203.18039	21.9
205.06477	19.4
205.15894	42.3
205.84988	3.9
209.15393	8.1
213.16373	12.7
215.14183	4.8
217.15858	10.2
221.05908	6.5
221.15421	8.9
221.19034	11.4
222.06790	13.0
227.17728	5.5
229.15880	6.6
233.06065	17.8
235.16847	13.4
237.09102	16.5
239.16161	7.7
245.15225	4.4
247.07744	5.6
247.16980	15.3
249.03313	10.9
249.05663	6.7
250.06149	10.5
251.07072	5.7
265.08530	35.9
267.06577	5.5
267.09085	9.6
278.05869	9.1
282.09134	4.7
283.09839	8.3
285.10141	11.4
292.07349	20.4
293.08154	31.0
301.06567	11.6
307.09604	48.2
310.08286	4.2
313.01654	9.4
315.12463	4.0
316.11710	5.1
324.11655	4.6
325.10712	100.0
337.10907	4.7
400.10947	8.9
405.31546	31.8
415.13452	18.1
423.32550	13.4
427.08334	15.3
433.31183	7.7
441.33646	18.3
443.22501	12.3
445.10059	4.3
451.32349	22.7
469.14828	39.3
469.33670	18.2
487.15820	7.6
487.21393	53.2
487.33438	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.9
55.05500	13.1
56.96555	4.0
57.07050	4.8
61.02924	5.0
67.05495	16.6
69.03435	19.2
69.07076	25.8
69.59462	16.1
69.59875	10.6
70.06594	7.2
71.04999	6.8
79.05505	21.7
81.03416	31.0
81.07059	56.2
83.04981	10.8
83.08627	6.3
85.02915	22.0
91.03939	6.6
91.05492	24.7
93.07052	37.2
95.04964	11.4
95.08604	62.2
97.02890	16.5
97.06508	6.4
97.10188	5.1
99.04478	4.3
103.05496	3.8
105.07025	64.3
107.04994	6.4
107.08598	56.8
109.02872	9.9
109.10148	26.6
111.04437	5.0
111.08089	6.2
115.05470	7.1
116.07091	7.6
117.07047	7.6
119.08589	72.8
121.06519	8.4
121.10159	35.8
123.08075	7.8
123.11712	16.5
123.29609	3.4
125.09609	9.2
127.02904	3.8
127.03921	14.2
131.04970	4.5
131.08562	40.7
133.10132	49.0
135.04422	4.1
135.08064	6.5
135.11674	15.4
137.06007	32.8
137.13315	4.5
143.08542	9.8
145.10120	50.8
147.11681	36.1
149.09566	9.9
149.13266	12.0
151.03848	6.4
151.07564	9.5
153.05490	5.1
153.09140	4.9
155.08591	7.4
157.10135	18.5
159.11716	38.3
161.09621	6.7
161.13303	17.9
163.03925	16.8
163.07603	7.6
163.11287	4.9
163.14801	14.9
165.09053	5.3
170.10860	4.8
171.11702	17.7
173.05978	5.8
173.13254	37.0
175.03900	8.6
175.11232	5.4
175.14841	30.0
177.12683	4.6
177.16402	14.7
182.13847	3.6
183.02335	10.6
183.11725	4.7
185.13252	20.5
186.03087	7.8
187.14815	57.5
189.16406	28.9
191.14297	19.9
191.18019	6.0
194.07303	10.3
195.14052	3.9
197.13332	6.4
199.14857	25.8
201.05478	17.5
201.16389	48.2
203.07068	5.6
203.14304	14.7
203.18039	21.9
205.06477	19.4
205.15894	42.3
205.84988	3.9
209.15393	8.1
213.16373	12.7
215.14183	4.8
217.15858	10.2
221.05908	6.5
221.15421	8.9
221.19034	11.4
222.06790	13.0
227.17728	5.5
229.15880	6.6
233.06065	17.8
235.16847	13.4
237.09102	16.5
239.16161	7.7
245.15225	4.4
247.07744	5.6
247.16980	15.3
249.03313	10.9
249.05663	6.7
250.06149	10.5
251.07072	5.7
265.08530	35.9
267.06577	5.5
267.09085	9.6
278.05869	9.1
282.09134	4.7
283.09839	8.3
285.10141	11.4
292.07349	20.4
293.08154	31.0
301.06567	11.6
307.09604	48.2
310.08286	4.2
313.01654	9.4
315.12463	4.0
316.11710	5.1
324.11655	4.6
325.10712	100.0
337.10907	4.7
400.10947	8.9
405.31546	31.8
415.13452	18.1
423.32550	13.4
427.08334	15.3
433.31183	7.7
441.33646	18.3
443.22501	12.3
445.10059	4.3
451.32349	22.7
469.14828	39.3
469.33670	18.2
487.15820	7.6
487.21393	53.2
487.33438	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42980	17.8
53.23711	21.4
55.60673	20.4
60.34591	19.4
69.03416	40.2
69.07045	31.9
70.06591	22.4
70.95681	35.7
71.05009	23.0
72.08147	27.2
76.41364	19.2
81.03398	29.5
81.07052	39.5
85.02908	99.2
89.64453	20.1
91.05454	27.4
95.08610	50.9
97.02875	32.4
105.01866	21.7
105.07004	27.6
107.08571	40.7
109.02894	43.1
109.06503	21.6
109.10142	27.6
109.46857	18.2
112.56703	21.0
115.35856	17.2
118.80360	18.7
119.08572	21.2
123.11762	25.2
127.03915	56.1
130.07782	19.2
137.05969	75.3
145.04887	27.6
147.04445	22.2
153.86639	19.7
163.03917	62.6
163.07597	53.4
163.97806	19.3
164.04291	34.6
165.40758	19.9
195.10155	100.0
201.05717	20.2
205.15906	29.3
240.20264	21.5
338.10898	37.4
379.62076	21.7
488.21371	38.3
492.00543	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	488.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.8
57.07063	3.9
67.05496	7.7
69.07053	8.9
70.57193	8.8
75.46337	2.5
77.06744	2.7
79.05481	6.6
79.14145	2.6
81.07063	24.1
83.08598	5.1
91.05474	7.9
93.07063	19.1
95.08615	36.6
105.07022	22.6
107.08608	35.8
109.10157	16.6
117.06992	4.5
119.08588	44.5
121.10129	17.1
131.08565	12.5
133.10126	31.6
135.07976	2.8
135.11664	9.6
135.82251	2.8
143.08560	3.3
144.09331	3.2
145.10138	21.9
147.11700	21.9
149.13275	21.3
157.10074	3.9
159.11699	11.0
161.13237	12.2
163.14842	35.8
171.11694	4.2
173.13287	7.8
175.14865	25.1
177.09102	3.7
177.16319	4.6
185.13304	5.5
187.14822	46.3
189.16399	55.0
191.17938	5.5
199.14880	5.7
201.16389	19.4
203.17941	12.4
207.17442	4.7
213.16354	4.9
215.18007	21.7
227.17960	9.5
229.19518	8.8
235.16879	5.7
241.19319	3.8
246.95267	2.7
247.16982	14.6
249.18484	7.0
253.19669	2.8
261.18527	48.2
275.19983	4.4
281.22766	4.0
377.32141	18.7
389.32086	4.2
395.33139	5.5
407.33051	12.9
423.32605	100.0
425.34109	6.5
435.32291	4.0
441.27899	4.2
441.33688	50.9
443.34909	7.9
453.33481	8.3
471.34418	8.0
489.35837	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	489.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41932	0.8
56.77773	0.7
56.96570	13.5
57.03438	1.3
58.24310	0.8
61.02928	1.4
65.28551	0.7
69.03436	4.3
71.04985	1.0
71.95287	0.8
73.02917	0.9
81.03436	1.0
84.04491	1.1
84.96033	3.6
85.02906	10.2
97.02892	4.1
98.20798	2.0
98.97596	58.0
105.00196	1.7
107.04955	0.9
109.02870	1.0
110.97597	2.6
112.99139	0.9
116.98624	13.5
127.03930	3.4
128.98605	2.3
132.99641	1.4
134.99638	1.4
137.06013	1.4
139.00719	0.8
143.01920	1.3
145.03452	1.1
145.04977	3.4
147.01256	1.7
148.06036	0.8
151.00682	2.9
152.98604	1.1
153.02289	0.9
156.03624	1.8
156.24315	0.8
158.99678	24.0
159.01073	1.3
160.99213	1.1
161.02777	1.6
165.02112	0.8
169.01743	1.7
169.04379	0.8
170.99707	1.3
175.00647	0.9
177.00723	11.5
177.02275	12.1
178.04933	1.8
179.00166	2.7
179.03787	1.4
181.01677	0.9
193.01790	1.0
195.03314	8.3
197.01270	3.6
200.04552	1.1
205.01811	3.2
211.02910	1.0
213.04321	1.0
215.02342	1.0
215.78723	0.7
219.01762	7.8
219.03308	0.7
221.01231	6.4
223.02814	10.2
227.33340	0.9
228.05336	0.9
237.02710	1.5
237.06348	1.3
239.02318	8.3
241.03862	5.5
249.00642	5.7
250.07201	0.9
257.03384	1.8
261.02985	1.3
265.00259	3.7
265.03876	2.1
267.01749	13.3
281.07043	3.6
283.01303	5.9
283.04431	1.6
285.02832	77.3
286.03119	1.1
303.03891	76.3
304.03842	0.8
305.07144	1.0
308.04404	1.1
309.02686	17.4
318.10968	1.7
327.03894	100.0
328.04318	1.1
345.04993	15.6
350.05542	2.3
369.04959	48.6
370.05359	0.9
373.07983	1.0
385.07849	0.9
387.05914	11.6
429.07108	30.1
429.12888	1.6
442.13190	0.8
447.08136	31.4
470.09766	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	489.092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98886	0.8
56.96566	13.4
57.03432	1.0
61.02914	2.4
69.03420	3.2
69.10553	0.8
69.38082	6.0
73.02917	1.4
79.05484	2.6
81.07050	1.0
84.96027	3.1
85.02914	8.5
86.72648	0.8
88.39101	0.8
89.03953	0.7
90.04970	0.7
91.03928	1.4
91.05497	1.0
97.02892	3.4
98.97589	63.1
99.04453	0.9
101.02338	0.8
105.00127	1.1
107.08584	1.6
109.86012	0.8
110.97574	2.7
116.98623	14.0
127.03928	2.1
128.98636	2.3
132.99631	1.5
134.99745	1.1
137.05988	3.2
145.04974	2.2
147.01201	1.7
151.00648	2.2
153.02263	1.0
158.99666	21.8
159.00934	0.8
160.99118	2.0
161.02798	1.1
163.03979	1.3
164.05968	1.5
165.02246	1.3
169.01746	1.2
169.05450	1.0
170.99603	1.9
171.03302	1.0
173.01353	0.8
177.00711	12.7
177.02254	12.6
178.98839	0.7
179.00127	4.1
179.03838	1.3
182.99709	0.9
185.01099	0.9
189.00684	0.7
195.03333	7.7
197.01190	4.0
199.06384	0.9
205.01735	4.8
211.02817	1.7
213.04440	1.7
215.02223	1.8
219.01772	7.3
221.01254	6.5
223.02731	7.5
225.00699	1.0
237.02724	1.8
239.02301	8.9
241.03815	5.3
246.99295	0.9
249.00650	6.0
253.04037	1.0
254.09103	3.2
257.03238	2.4
265.00220	3.5
265.03745	1.9
267.01764	13.9
267.04532	1.0
283.01236	5.5
283.04437	1.3
285.02820	79.6
303.03879	74.0
309.02768	18.7
309.06009	1.4
314.19919	0.8
317.05319	1.0
321.04956	0.9
326.05771	1.2
327.03879	100.0
331.12311	6.6
345.00955	1.5
345.04935	18.4
345.11713	1.3
350.05521	1.5
355.06921	0.9
363.13287	2.0
369.04938	48.3
373.08063	3.1
387.06015	10.4
429.07059	32.0
447.08081	29.6
470.09744	1.1
489.09055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.4
57.03423	3.3
57.97025	2.7
61.47662	2.5
65.28104	2.5
67.05502	15.5
67.61165	2.3
69.03419	12.0
69.07077	4.5
70.06578	5.1
70.84897	4.7
71.04979	8.2
75.04498	3.3
79.05506	13.3
81.03420	9.2
81.07058	100.0
83.08603	2.7
85.02894	11.1
85.06537	6.5
89.06018	3.0
91.05498	5.0
93.07040	24.8
95.04961	6.8
95.08617	26.0
95.09195	3.6
97.02890	4.3
97.06489	3.7
97.10162	9.1
99.04436	7.0
103.05449	2.8
105.07013	7.3
107.04974	3.5
107.08613	15.0
109.02851	10.5
109.10164	9.4
109.15419	2.7
111.08070	4.9
114.07167	2.8
119.08572	5.0
121.10148	18.8
123.08059	10.3
123.11704	73.9
127.03928	16.7
133.10075	3.0
137.05989	12.9
137.09659	3.2
141.09122	9.0
149.09602	4.6
151.11215	13.2
163.03909	4.3
165.09103	4.6
167.10695	6.7
169.10870	3.4
169.12253	58.1
177.05516	3.3
187.13268	20.4
193.41896	2.7
203.06985	3.0
277.14200	2.9
295.15280	12.3
309.10895	3.6
311.15030	4.1
313.16364	5.8
327.12311	7.9
331.17520	36.6
489.18924	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	489.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31881	0.8
53.03936	1.8
55.05508	10.4
55.05754	1.3
57.03439	1.6
57.07063	3.8
59.04988	1.6
60.57431	0.9
67.05506	20.6
69.03433	7.3
69.07072	6.2
69.40753	7.4
71.04990	10.1
79.05499	7.5
81.03419	9.0
81.07055	100.0
83.08620	1.9
85.02907	8.5
85.06538	6.7
85.52211	1.0
89.06001	2.3
91.05466	3.5
93.07047	11.6
95.04956	5.6
95.08605	25.4
97.02885	3.3
97.06515	1.8
97.10159	11.0
99.04449	2.9
99.08118	2.0
105.07022	6.0
107.08590	6.3
107.37419	1.0
108.18941	0.8
109.02857	10.0
109.06526	5.1
109.10160	2.9
111.08059	3.5
121.10122	1.8
123.08076	3.2
123.11706	77.0
127.03922	15.2
133.10133	4.7
137.05952	5.7
141.09135	1.7
141.12758	3.2
151.11180	17.5
164.07079	1.0
165.09029	1.1
169.12238	64.0
187.13293	23.8
187.14984	1.2
229.14372	3.0
249.14865	1.4
277.14471	4.8
295.15417	13.3
313.16425	6.3
315.10028	1.1
320.10251	1.0
321.11459	1.0
324.00925	1.1
331.17490	43.5
335.12839	2.6
346.21970	1.0
347.12607	1.2
471.17700	1.3
489.17688	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60854	0.6
53.01067	0.6
53.03943	2.1
55.05511	9.8
57.03436	1.6
57.07074	3.8
59.05001	1.0
63.72416	0.7
65.03951	1.2
67.05508	19.9
69.03436	6.2
69.07074	4.1
69.46687	1.5
69.47091	2.6
71.05002	8.8
79.05503	6.2
81.03424	7.7
81.07058	100.0
82.07365	0.9
83.08637	1.8
85.02917	7.3
85.06538	4.9
86.01619	0.7
89.06021	2.3
91.05487	3.2
91.60564	0.7
92.55523	0.6
93.07039	11.4
95.04965	6.2
95.08612	19.1
97.02893	3.0
97.10175	11.6
99.04469	1.4
99.08100	2.3
105.07031	5.3
107.08575	5.5
109.02878	9.0
109.06541	2.9
109.10135	3.7
111.08092	2.7
113.06026	1.2
113.09666	0.7
121.10190	2.6
123.08110	2.8
123.11710	77.8
124.12074	0.7
125.09642	0.8
127.03929	13.2
129.07059	0.8
133.10114	5.9
137.05989	4.3
141.09106	1.4
141.12755	2.8
145.04910	1.1
149.09564	0.8
151.07564	1.1
151.11197	14.4
161.05984	1.1
169.12245	53.2
170.12660	0.8
175.07549	0.7
177.09076	1.1
187.13295	19.5
203.07234	0.8
229.14407	2.3
249.14903	1.3
256.06122	0.8
272.56430	0.7
277.14340	2.8
295.15408	13.7
309.11411	1.0
313.16483	7.3
327.12076	1.2
331.17532	38.2
389.06995	0.8
471.16891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.9
53.03951	12.1
55.01871	16.2
55.05276	1.9
55.05515	31.7
57.03425	5.8
57.07055	2.0
59.04992	4.6
65.03918	4.2
67.05508	61.9
69.03414	2.8
69.07066	13.3
71.01358	1.9
71.03512	2.3
71.05003	9.1
72.78596	1.2
73.06543	1.7
77.03928	1.4
79.05496	89.2
81.03426	22.5
81.07058	65.6
83.01324	7.0
83.04984	23.1
83.08622	15.3
85.02914	3.8
85.06535	3.6
91.04898	2.9
91.05485	72.2
93.07048	77.1
94.10867	1.2
95.04975	27.6
95.08612	37.1
97.02893	2.5
97.06536	10.4
97.10160	6.1
99.00923	1.3
99.04442	2.2
103.05453	4.2
105.04512	2.5
105.07034	50.7
107.04956	21.2
107.08596	32.1
109.06549	13.6
109.10131	8.3
111.04430	3.3
111.08067	4.9
115.05454	2.7
117.07018	19.1
119.08584	33.5
121.06492	5.3
121.10152	17.0
123.08080	16.2
123.11708	1.9
125.05935	1.5
125.09615	4.4
128.06258	3.0
129.07004	20.3
130.07744	3.4
131.04930	1.5
131.08586	10.1
133.06448	2.4
133.10138	13.5
135.08099	4.4
135.11694	14.4
137.05931	1.5
137.09587	2.3
139.11246	1.6
141.06941	1.4
141.09109	1.4
141.23973	1.3
143.08546	11.9
145.06555	2.3
145.10121	27.9
147.04364	2.7
147.08044	6.4
147.11685	36.5
149.09618	1.8
149.13239	2.1
151.07629	1.8
153.12764	4.3
155.06023	1.5
155.08591	2.1
157.10124	1.7
159.11685	4.9
161.09610	4.6
161.13249	14.9
163.11186	28.1
171.11684	30.4
173.09637	2.8
173.13312	2.3
175.14822	1.9
179.14377	1.6
181.12193	3.7
189.12709	13.6
191.10651	5.6
199.14822	2.0
205.15892	2.6
207.13808	37.5
209.11784	5.4
223.13266	1.5
225.14893	3.0
227.12805	4.7
265.14444	3.0
281.17526	6.3
333.67688	1.3
341.52133	1.6
394.12082	1.3
415.68933	1.3
443.35123	4.8
453.33069	5.7
471.27301	8.8
471.33420	1.8
489.28448	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	489.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.05501	7.2
57.07058	3.0
67.05495	7.5
69.07065	8.0
71.25554	3.2
71.25883	3.7
79.05483	9.8
81.07061	17.0
83.08610	6.8
85.02887	2.3
85.06529	3.9
91.05468	16.3
93.07057	26.2
95.08620	25.8
99.08128	11.6
105.07038	36.5
107.08615	39.2
109.10155	12.3
117.07052	4.0
119.07825	3.6
119.08594	56.4
119.22349	2.4
121.10155	29.9
121.10968	4.1
123.11707	6.1
131.08589	33.8
133.10141	36.2
135.11729	20.7
137.09630	3.4
143.08572	5.5
145.10146	35.0
147.04430	2.5
147.10500	4.3
147.11693	63.2
148.11971	2.3
149.09564	2.4
149.13252	7.2
157.10117	7.6
159.11687	30.2
161.13245	15.6
161.56651	2.2
163.11200	10.8
163.14818	8.0
170.10822	3.2
171.11679	7.7
172.12486	3.0
173.13254	15.4
175.14848	21.6
177.16397	18.4
179.14275	2.7
183.11652	2.3
185.13222	7.5
187.14854	49.6
189.16408	56.8
191.14273	3.7
191.17943	10.9
199.14859	8.0
201.16400	100.0
201.18275	4.8
203.17966	6.6
205.14069	4.9
205.15904	68.6
207.17503	16.7
213.16396	5.6
215.17885	4.9
217.15883	3.6
219.17529	19.3
223.16922	5.1
227.17915	4.0
231.17554	2.9
245.18988	3.5
335.27505	2.9
353.28256	5.6
367.46820	2.7
389.32040	5.6
407.33160	47.8
425.34134	37.1
435.32932	3.7
443.35226	4.8
453.33719	39.2
462.92603	2.9
471.34579	9.7
478.94424	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	489.3577
Annotation	Cimigenol
Peak:m/z	Relative Intensity
55.05506	9.2
67.05495	14.3
69.07058	16.0
69.84677	14.0
79.05491	13.2
81.07057	29.3
82.22501	5.1
88.55502	4.5
90.01154	4.1
91.05479	14.2
93.07030	26.7
95.05012	5.2
95.08618	67.0
97.10155	4.4
105.07039	42.3
107.08587	53.4
109.10159	32.7
119.08584	48.2
121.10130	38.0
123.08089	4.9
123.11726	10.0
127.53754	4.6
131.08566	32.8
133.10118	44.7
135.11728	20.6
143.08621	4.8
145.10133	42.4
147.11671	35.4
149.09589	8.7
149.13281	15.3
157.10141	9.6
159.11702	32.6
161.09714	9.1
161.13289	23.9
163.14864	16.9
164.76060	4.8
171.11720	9.0
173.13281	41.9
175.14844	41.7
177.16386	32.1
185.13307	10.1
187.14827	40.8
189.16370	22.8
191.14340	42.3
191.17943	7.7
194.64014	4.8
199.14859	12.7
201.16415	20.8
203.14339	24.6
203.17950	61.8
205.15891	100.0
205.19514	7.8
207.17484	5.0
213.16347	9.4
217.15916	6.0
221.15401	13.7
223.16904	8.8
229.15916	6.4
235.16982	7.2
245.86642	4.6
247.16888	9.9
249.18530	18.3
268.63428	4.8
273.57004	4.8
317.24350	5.4
389.32166	9.9
395.29266	6.7
407.33087	34.0
425.34067	7.5
435.32434	17.0
443.35266	5.8
453.33755	31.7
489.28973	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	489.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.05503	13.3
57.07062	3.5
59.55463	2.2
65.97472	2.2
67.05519	26.3
69.03438	12.5
69.07078	16.9
70.64175	3.5
70.64508	5.1
71.05000	6.9
78.93932	2.4
79.05507	15.9
81.03426	20.2
81.06595	3.9
81.07063	46.7
83.04977	8.2
83.08624	8.4
85.02917	12.5
85.06539	3.1
87.00840	3.1
91.05495	23.6
93.07059	35.4
95.04988	4.1
95.08618	100.0
97.02903	7.9
97.06522	4.7
97.10174	5.3
99.04417	3.6
105.07044	47.4
105.16328	2.3
107.05001	3.0
107.08609	50.1
109.02892	13.4
109.06516	4.7
109.10169	52.1
111.04485	3.0
111.08090	4.4
113.09686	3.0
117.07021	5.7
119.08597	54.4
121.06515	4.5
121.10146	42.1
123.08058	5.7
123.11738	15.9
125.09631	4.4
127.03933	22.8
129.06999	4.6
131.04961	3.7
131.08588	27.1
133.10141	42.0
135.04456	3.1
135.08061	6.7
135.11731	18.6
137.05942	13.0
137.09622	28.6
143.08572	9.0
145.10132	41.3
147.08049	8.5
147.11697	34.2
149.09645	5.9
149.13235	17.5
151.07521	7.3
151.11220	4.0
153.09116	2.7
155.10629	13.4
156.09311	3.3
157.10114	11.0
159.11710	28.4
161.09608	6.9
161.13243	22.2
163.11159	5.9
163.14862	14.2
165.05545	2.3
165.09129	37.9
167.07001	7.2
167.10690	3.0
169.10117	3.8
170.10953	2.9
171.11682	6.8
173.13274	53.1
175.14838	30.2
177.09120	3.6
177.12798	3.8
177.16393	33.5
181.04880	5.6
183.10197	6.9
185.13292	7.4
187.14819	38.5
189.12729	4.2
189.16399	29.2
191.14311	40.6
191.17935	9.3
199.14822	8.5
201.11203	4.7
201.16411	24.8
203.14331	24.0
203.17970	52.4
205.15903	89.7
205.19490	9.1
206.16193	2.8
207.17413	5.6
209.15291	4.3
213.16388	6.1
215.17937	3.6
217.15880	4.9
219.17479	3.5
221.15393	10.4
223.16951	8.0
227.17912	2.7
231.17395	3.9
240.44328	2.4
247.16966	5.2
249.18507	10.7
281.13885	4.4
296.47076	2.4
309.13428	4.3
327.14417	10.0
377.32016	5.0
379.33450	4.5
389.31964	3.4
395.29022	4.1
395.33368	5.9
404.14502	2.7
407.33130	30.5
416.14420	3.4
423.32980	4.9
425.34274	18.2
435.32474	15.2
443.35101	5.9
453.33752	32.6
455.06790	2.6
471.18643	6.3
489.18335	13.7
489.25110	3.1
489.35324	6.8
492.59717	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	489.3581
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.44962	7.0
50.60966	6.9
50.67966	7.0
55.05519	15.1
65.03972	9.2
67.05504	46.3
69.07062	21.4
70.23557	12.5
70.23930	15.7
79.05489	35.0
81.07063	67.0
83.05006	8.2
83.08608	12.6
91.05477	26.7
93.07056	59.8
95.04996	11.7
95.08612	75.7
97.06470	8.2
98.21470	8.3
105.07039	70.4
107.08598	77.5
109.10156	44.6
111.08103	8.7
115.05400	7.8
115.10655	7.1
115.84176	7.3
117.07014	19.1
119.04983	22.2
119.08588	82.1
121.06503	8.5
121.10143	74.9
123.11704	12.5
125.09633	21.2
131.08603	50.2
133.10133	69.1
135.08022	9.3
135.11728	33.0
145.10091	50.4
147.04439	100.0
147.11690	28.1
149.13275	25.5
157.10178	12.5
159.11726	29.6
161.09641	8.8
161.13277	30.3
163.11229	8.5
163.14839	17.8
165.05499	20.1
171.11810	9.1
173.13284	48.6
175.14790	52.7
177.16414	49.3
183.11867	7.4
185.13193	9.2
186.22957	7.9
187.14804	58.5
189.16388	38.6
191.14275	49.8
191.17949	17.8
199.14842	8.0
201.16409	27.4
203.14297	29.9
203.18050	44.4
205.15936	61.0
213.16307	10.3
215.14372	10.8
215.17972	15.7
217.15799	9.2
219.17436	11.1
221.15373	20.7
229.15871	23.2
247.16919	15.2
261.18677	7.8
311.23618	7.3
325.23886	25.2
395.33411	14.8
407.33148	56.4
425.33902	24.2
435.32431	24.8
453.33725	35.6
471.33911	10.6
489.35330	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	489.3576
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.06841	2.7
53.03949	2.6
55.01864	2.6
55.05506	15.4
57.07091	4.2
67.05505	19.9
69.03419	6.4
69.07075	17.9
71.32463	4.9
75.61318	2.3
77.37759	2.6
79.05492	16.4
81.03419	3.5
81.07060	48.4
83.04981	8.5
83.08604	11.0
85.02900	4.3
85.06522	3.8
86.80986	2.9
91.05482	22.5
93.07049	36.2
95.04968	4.4
95.08611	75.8
97.02904	2.9
97.06540	5.0
97.10186	5.1
101.52924	2.6
105.06393	4.7
105.07034	47.5
107.08594	65.6
108.95900	2.3
109.02907	3.6
109.06512	4.9
109.10158	38.3
111.08051	3.0
115.05473	3.5
117.06997	6.7
119.08582	63.5
121.06481	6.9
121.10149	39.2
123.08065	6.9
123.11704	22.7
125.09602	3.1
127.03896	2.9
129.06999	2.9
131.08578	37.4
133.10150	44.3
135.08044	4.3
135.11690	15.8
136.65892	2.7
137.05969	7.2
137.09612	5.4
137.13281	3.6
139.07545	2.8
143.08591	7.7
145.10132	50.3
147.08028	4.0
147.11687	43.8
149.09665	4.1
149.13264	17.3
151.07527	5.3
151.11240	2.8
153.09087	4.4
157.10089	15.2
159.11725	32.3
161.09593	3.7
161.13237	18.6
163.03957	2.9
163.11171	5.1
163.14806	17.8
165.09164	12.2
167.07063	4.8
169.10149	4.3
171.11722	6.9
173.13269	52.9
175.11179	4.8
175.14830	35.5
177.09116	3.5
177.12782	5.6
177.16418	33.5
181.04915	4.6
185.13210	7.0
187.14792	49.3
189.16373	32.5
191.14313	47.7
191.17941	10.2
199.14807	9.3
201.16399	20.5
203.14357	27.7
203.17955	64.4
205.15886	100.0
205.19511	10.7
209.15378	6.2
211.14844	3.0
213.16397	7.4
215.17970	4.3
217.15863	6.7
217.19374	4.1
219.17365	5.3
221.15373	11.1
221.19199	2.9
223.16957	8.5
227.17950	5.6
229.15912	5.1
231.17392	4.7
246.14943	5.5
247.16985	4.5
249.18478	14.3
283.24203	3.0
309.28125	4.5
349.28787	2.9
383.67593	2.6
389.32004	7.1
395.28665	3.2
395.32993	8.2
407.33029	32.0
423.32498	6.0
425.34155	12.0
435.32605	10.5
441.33755	3.8
443.35376	5.3
453.33774	32.4
471.34521	4.4
489.18625	4.1
489.25751	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01868	2.2
55.05505	9.7
57.07066	2.5
59.05002	1.8
65.03927	1.8
67.05180	2.6
67.05507	31.1
68.47508	1.5
69.03424	14.2
69.07079	7.4
71.01360	1.3
71.04977	5.7
79.05485	11.4
81.03420	22.6
81.07057	30.6
81.08736	1.4
83.04979	5.6
83.08617	3.6
85.02920	14.2
85.06521	1.9
87.00821	1.8
91.05482	17.2
93.06503	1.5
93.07054	25.7
95.04978	9.8
95.08610	100.0
97.02925	8.2
97.06534	2.7
97.10145	3.8
99.04465	4.4
99.08089	3.1
103.05444	3.4
105.07034	27.2
107.04988	1.7
107.08601	30.2
109.02884	15.5
109.06525	6.7
109.10155	49.6
110.86985	1.4
111.08062	2.0
113.06042	2.1
117.07027	7.3
119.08586	44.5
121.06544	2.2
121.10134	22.6
122.03788	1.6
123.04443	2.2
123.08038	2.2
123.11706	12.8
125.09642	3.4
127.03920	27.6
129.06996	4.4
131.04906	4.6
131.08554	19.4
133.10143	23.5
135.08044	4.1
135.11678	10.5
137.05983	18.2
137.09622	28.6
143.08574	5.6
145.06454	1.9
145.10123	25.6
147.04385	1.9
147.08051	7.7
147.11697	28.8
149.05984	1.9
149.09631	3.7
149.13264	8.6
151.07536	4.6
151.11174	1.8
153.09094	1.8
155.08607	1.9
155.10658	18.5
157.06557	1.7
157.10143	6.7
159.11697	16.6
161.06010	2.1
161.09581	3.0
161.13281	6.9
163.03932	2.2
163.07578	3.0
163.11142	3.0
163.14783	6.5
165.09122	61.1
165.10529	3.1
167.07054	8.4
167.10727	2.4
169.10074	2.2
170.93301	1.4
171.11676	5.6
173.13277	16.2
175.07561	2.0
175.11133	2.4
175.14825	13.0
177.12749	2.7
177.16411	12.4
181.05003	4.6
183.10187	5.4
183.11610	2.1
185.13274	5.2
187.13284	1.3
187.14841	20.9
189.12807	3.1
189.16382	17.7
191.07024	2.3
191.14270	16.0
191.17955	5.0
197.11674	2.6
199.14807	4.4
201.11247	6.6
201.16420	23.0
203.14317	9.8
203.17952	19.4
205.04814	1.6
205.15883	38.8
205.19496	2.4
207.17441	2.7
213.16370	4.3
217.15842	1.9
219.17404	3.2
219.74730	1.7
221.15393	3.2
223.16995	4.6
225.11296	2.5
227.17984	1.8
231.17551	2.2
235.16931	1.8
241.08585	1.9
243.17412	1.9
245.11720	1.7
249.18515	3.3
281.13867	5.8
285.11130	2.3
309.13324	6.5
321.11194	1.7
327.14587	15.5
335.12732	5.1
347.12640	1.7
389.32031	2.6
395.33286	2.0
407.33029	14.3
425.34186	10.8
435.16611	2.8
435.32629	3.5
441.33459	2.2
453.17395	3.6
453.33905	15.0
471.18393	8.7
471.35251	1.7
489.18958	12.3
489.28412	1.8
489.35727	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	bayogenin
Peak:m/z	Relative Intensity
55.05511	11.3
59.04996	10.8
60.20492	3.3
60.21252	3.2
67.05502	18.4
69.07072	18.1
69.70396	3.5
79.05486	16.3
81.07059	34.0
83.05003	3.5
83.08632	6.1
91.05478	11.4
91.68311	3.3
93.07050	30.6
95.04975	3.8
95.08614	52.7
97.06530	5.2
97.10130	4.6
105.07037	31.0
107.08603	48.6
109.10166	35.9
111.08099	6.3
117.07040	5.9
119.08592	44.9
121.06565	3.7
121.10130	43.3
123.08104	3.0
123.11700	13.4
127.24206	3.2
131.08545	19.7
133.10121	25.4
135.08080	8.0
135.11685	35.8
137.13222	3.9
143.08571	7.9
145.10109	35.8
147.08038	4.8
147.11685	21.8
149.13272	15.8
157.10158	11.9
159.11752	32.8
161.09622	7.0
161.13234	18.0
163.14851	17.1
169.10153	3.6
169.92007	2.9
170.10942	8.6
171.11676	16.3
173.13249	16.1
175.14850	17.0
177.12758	7.7
177.16357	7.2
183.11732	3.8
185.13257	28.7
187.14844	18.5
189.12828	8.0
189.16397	17.5
191.14323	7.7
191.16217	5.6
191.17955	100.0
197.13258	6.1
198.86578	3.1
199.14790	25.4
201.12793	6.8
201.16394	10.7
203.14326	13.6
203.17912	20.5
205.15912	10.9
205.19495	6.3
207.17535	9.5
213.16347	3.8
215.14397	5.8
215.17943	3.7
217.15897	25.4
217.19551	12.4
219.17543	7.5
223.15199	3.0
227.17941	2.9
231.17633	3.4
235.16920	29.0
238.13583	2.9
245.15376	4.4
245.19026	4.2
285.22046	3.5
301.21692	3.4
362.93619	3.0
387.62216	3.1
389.32083	5.6
407.33038	18.6
425.34210	50.6
435.32544	4.8
443.35153	16.5
453.33600	11.7
471.34885	39.3
489.35925	19.1
498.05774	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	489.3578
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03944	1.7
55.01864	1.6
55.05518	11.1
57.03442	3.1
57.07065	2.0
59.04992	1.7
60.79070	0.5
65.03931	2.3
67.05511	66.4
69.03429	0.7
69.07076	9.7
70.17424	2.3
71.05009	3.0
71.08616	0.7
79.05499	19.9
81.07062	27.7
83.04980	1.1
83.08629	5.9
85.06551	2.0
91.05485	18.3
93.07052	26.8
95.04981	2.7
95.08618	21.7
97.06523	2.1
97.10159	2.7
99.08102	1.2
105.04537	1.2
105.07043	13.4
107.04966	0.6
107.08609	14.3
109.06530	1.0
109.10165	39.8
111.08074	1.7
113.09768	0.6
115.05453	0.6
117.07037	5.8
119.08595	16.2
121.10154	10.8
123.08084	1.2
123.11721	1.6
125.09658	1.6
129.07010	2.6
131.08585	9.6
133.10143	10.8
135.08064	0.8
135.11700	8.0
137.09613	2.4
139.11174	1.4
141.06984	1.4
142.07861	0.6
143.08572	3.3
145.10139	9.6
147.11690	6.7
149.13229	4.1
155.08595	1.4
155.10640	2.9
157.10208	2.8
159.11693	6.7
161.13275	4.3
163.11195	0.7
163.14861	1.3
169.10133	1.5
171.11751	3.0
173.11763	11.3
173.13297	5.9
175.14848	1.9
177.16425	0.6
181.10022	1.0
183.11737	1.5
185.13266	2.6
187.14839	3.4
191.14252	0.7
195.11697	0.7
197.13333	1.4
199.14851	1.3
201.16408	1.0
211.14865	0.7
213.14761	1.2
213.16541	1.0
225.16312	1.3
227.17981	0.9
241.19571	1.0
243.21164	1.2
259.20523	0.7
261.22183	4.2
267.21210	0.7
271.20410	0.8
273.22049	0.8
275.20193	0.9
285.22083	1.0
288.15417	0.6
317.24841	2.4
366.56332	0.6
377.26965	1.8
379.30008	5.4
397.31168	7.5
399.32803	0.6
415.32251	2.0
471.35028	6.8
489.35803	100.0
490.36230	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3583
Annotation	salvin B
Peak:m/z	Relative Intensity
55.05536	13.9
55.26345	6.0
56.82737	4.9
67.05517	28.0
69.07067	22.9
79.05490	25.9
81.07065	60.5
83.04995	35.0
83.08629	12.2
87.30064	5.9
91.05488	33.2
93.07054	50.3
95.08615	100.0
97.06561	7.3
105.07045	62.9
107.08602	97.0
107.40426	5.4
109.10168	53.4
109.64977	5.2
111.08100	9.1
117.07045	7.3
119.08597	76.8
121.10136	50.2
123.08076	10.2
123.11725	18.3
124.61826	5.7
125.09661	15.8
129.07037	7.0
131.08578	23.3
133.10138	47.6
135.11728	31.0
143.08566	6.9
145.10117	38.8
147.11685	37.7
149.13275	23.1
153.09123	7.2
157.10097	9.5
159.11671	40.9
161.09624	7.3
161.13274	28.4
163.14825	25.1
164.44955	5.8
171.11748	16.2
173.13313	29.8
175.11154	7.7
175.14857	29.7
176.91701	5.5
177.16431	18.1
187.14865	54.4
189.16438	49.4
191.18016	9.2
195.13795	9.2
196.02182	5.1
197.13277	5.9
199.14801	13.5
201.16399	52.2
203.14420	6.2
203.18007	44.5
205.15904	16.8
207.17439	7.2
213.16380	14.5
215.18016	23.7
217.15939	10.4
219.17493	15.6
221.15361	23.5
223.17018	9.6
227.18088	8.3
231.17462	7.7
235.16971	10.0
241.19748	8.0
247.16844	8.3
249.18550	14.5
250.54903	6.7
276.94308	5.3
389.32144	7.0
407.33292	41.3
425.34280	48.8
434.46912	6.9
435.32635	25.4
443.35071	25.8
453.33740	64.7
460.89536	6.1
471.35013	38.7
489.35904	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	489.3581
Annotation	bayogenin
Peak:m/z	Relative Intensity
53.03933	7.7
55.05520	20.9
67.05495	34.2
69.07068	16.1
69.29125	33.8
69.29555	36.3
79.05497	25.1
81.07063	75.9
83.04988	43.0
83.08631	11.2
91.05480	30.7
93.06063	7.1
93.07055	58.9
95.08625	81.1
105.07043	55.6
107.03532	7.7
107.04991	8.2
107.08609	83.4
109.06540	11.2
109.10162	47.2
117.07007	9.5
119.08588	76.2
121.10157	61.9
123.11703	23.5
125.09651	25.8
131.08603	26.5
133.10141	52.5
135.11697	25.5
145.10144	42.4
147.11702	36.6
149.13251	31.8
157.10103	9.1
159.11734	51.2
161.13284	35.2
163.14879	17.1
168.44258	7.6
171.11722	17.9
173.13269	24.5
175.14888	22.0
177.16411	16.5
185.13187	9.8
187.14859	47.8
189.16388	33.8
191.17929	10.3
195.98357	8.0
199.14839	8.6
201.16472	38.5
203.17975	22.5
205.15889	45.0
207.17447	9.7
213.16367	8.0
215.17935	19.4
219.17465	17.1
227.17915	8.5
232.80597	8.7
235.16893	12.9
247.16937	13.5
261.18610	14.7
277.63217	9.1
389.32025	10.3
395.29346	12.3
407.33249	42.4
425.34021	28.4
435.32385	20.6
443.29810	11.0
443.35297	100.0
453.33707	53.7
471.34967	13.0
489.35156	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3581
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.10875	6.4
51.33879	5.8
54.56270	6.8
55.05507	27.2
60.55418	5.6
67.05511	36.2
69.07066	23.8
71.04996	9.3
71.52229	8.2
79.05494	43.3
81.03439	8.8
81.07071	46.0
83.04987	8.7
83.08626	13.5
91.05489	47.4
93.07045	47.3
95.08614	68.8
97.06554	8.7
97.10158	7.9
105.07047	63.0
107.08614	64.3
109.06534	11.5
109.10173	35.6
110.09756	6.6
110.27039	7.1
115.05473	6.3
117.07014	12.2
117.84322	6.4
119.08588	77.8
121.06595	7.9
121.10155	55.6
123.08061	9.4
123.11730	11.6
129.07014	10.6
131.08582	36.7
133.10130	59.9
135.11743	29.1
135.43394	6.2
137.05962	9.8
143.08620	12.2
145.10138	74.3
147.11708	31.0
149.13213	29.4
151.11220	7.7
157.10213	10.8
158.70332	5.7
159.11740	47.1
161.13249	24.4
163.11182	30.7
163.14871	21.6
165.09213	7.2
171.11755	10.8
173.09561	9.2
173.13287	26.0
175.14810	24.7
177.16434	28.8
177.79791	5.6
179.14281	6.1
185.13275	8.0
187.14850	54.1
189.12871	9.4
189.16402	71.5
191.14308	8.5
191.17934	10.0
199.14876	13.6
201.16406	98.1
203.17992	15.5
205.15883	100.0
207.17496	30.6
215.14511	7.2
215.17961	15.7
219.17526	28.6
223.16934	14.2
229.19545	6.8
247.16969	22.2
266.67688	5.8
283.40018	6.5
389.32318	7.6
407.33044	49.8
425.34235	56.2
435.32529	14.7
443.35245	16.4
453.33908	8.4
489.28000	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	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01873	4.5
55.05508	2.7
57.03445	4.9
67.05512	2.8
69.03432	19.8
69.07063	2.3
71.04987	4.2
71.51984	2.1
79.05495	3.6
81.03428	11.5
81.07070	9.5
85.02446	2.5
85.02917	36.5
87.00841	13.3
91.05474	10.0
93.07054	7.9
95.04992	4.7
95.08604	7.5
97.02913	11.1
97.06499	1.9
99.04466	8.2
103.05470	2.4
105.01886	8.5
105.07051	9.8
107.08612	8.6
109.02892	13.6
109.06528	9.7
109.10149	6.9
119.08597	21.2
121.06505	2.3
121.10161	28.8
123.08082	9.6
123.11700	5.9
123.82239	1.8
125.05984	5.8
127.03922	18.5
129.06987	4.4
131.08578	22.3
133.10150	4.0
135.08078	11.0
135.11670	3.3
137.05952	9.6
137.09630	7.0
138.06361	2.3
145.04980	8.5
145.10123	5.4
147.08061	27.8
147.11711	10.2
149.09624	13.0
151.07550	52.4
156.09392	4.3
159.02884	7.8
161.13261	20.4
163.11229	5.2
165.05544	1.7
165.09142	6.9
165.12808	2.8
167.07066	2.7
171.11691	11.6
175.14859	2.0
179.14325	6.0
184.07372	2.0
189.12766	100.0
191.14319	19.1
207.13828	54.6
225.14867	31.2
231.05048	3.5
231.13875	2.8
243.88354	1.8
249.14908	2.2
325.18387	1.9
336.13190	3.6
408.42514	1.8
410.99670	1.8
455.19153	5.2
490.18692	5.3
496.22302	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	490.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.05517	2.1
56.02770	1.5
56.22260	1.3
59.04997	1.4
61.02923	1.3
65.03951	1.5
67.05509	3.2
69.03415	8.8
69.07082	2.0
69.27612	1.4
69.79901	6.7
70.06586	4.3
71.05004	2.5
72.08163	2.4
74.06088	2.0
79.05493	8.4
81.03413	6.5
81.07063	16.8
84.08157	2.3
84.58730	1.5
85.02910	70.7
86.09710	4.9
87.00825	4.4
91.05487	17.4
93.07060	14.3
95.04956	4.7
95.08613	6.1
97.02903	6.6
97.06519	2.2
98.21468	1.9
99.04446	3.4
103.05470	4.3
105.01876	6.5
105.07046	20.9
107.08601	63.2
109.02884	4.3
109.06485	2.6
109.10191	8.0
111.08180	1.9
116.07104	2.6
117.07069	2.2
119.08575	14.3
121.10139	18.0
123.04464	1.9
123.08069	2.2
123.11713	59.3
125.06004	2.0
127.03889	9.9
127.07572	2.6
129.07028	2.5
131.04932	13.4
131.08574	62.8
133.06554	2.1
133.10204	2.4
135.04402	1.5
135.08055	3.5
137.05951	2.8
137.09613	4.9
141.05453	2.9
143.08586	5.8
145.02867	4.6
145.04970	3.6
145.10104	9.9
147.04457	2.4
147.08044	4.2
147.11694	16.5
149.06013	2.8
149.09625	34.6
151.07544	2.4
156.09384	5.0
159.11678	7.5
161.06046	1.8
161.09679	2.5
161.13268	5.7
164.07066	26.6
165.12758	4.0
167.46465	1.7
171.11656	12.1
174.10493	1.9
177.05484	9.0
177.12790	3.9
179.07069	5.0
189.12747	52.5
189.14458	2.5
190.08611	3.8
207.13815	100.0
213.03954	2.6
231.05107	5.4
257.20514	1.6
261.90680	2.0
262.07138	3.6
293.10187	2.6
336.33676	1.7
347.16058	21.8
388.66382	1.6
455.12341	1.6
490.15268	2.0
490.21909	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	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01885	2.8
55.05506	7.7
57.03434	2.0
61.02912	2.5
65.43067	1.7
67.05501	4.4
69.03451	9.5
69.38071	14.3
71.04987	7.9
73.02918	2.1
78.24889	1.6
79.05499	4.3
81.03430	9.9
81.07056	13.2
83.04997	2.9
83.08636	8.6
85.02912	17.3
86.09700	2.4
87.00816	7.0
87.04503	2.5
91.05503	3.7
93.07051	6.2
95.04974	36.7
95.08601	11.3
97.02902	9.2
98.20771	3.8
99.04459	28.9
105.01860	5.8
105.07027	8.4
107.08603	26.4
109.02908	10.4
109.06517	25.6
109.10153	3.0
111.08104	2.7
117.07023	2.9
119.04984	2.2
119.08599	5.4
119.69423	1.8
121.06467	2.0
121.10127	7.9
123.08081	51.1
123.11707	7.9
125.05970	3.6
125.09649	10.1
127.03927	10.7
133.06448	2.1
133.10139	1.9
137.05968	3.5
143.08646	2.0
147.08046	3.1
149.09622	13.7
151.07556	100.0
153.09099	2.1
161.09621	2.4
161.13261	2.6
163.07492	2.8
164.07060	6.4
165.09116	5.0
165.12772	7.8
167.10680	13.5
171.11639	2.6
177.96863	1.6
181.12292	2.4
183.13809	11.0
189.12740	8.8
191.10608	9.4
207.13806	69.3
209.15213	1.9
225.14876	76.4
228.17575	1.9
231.05061	2.2
231.13708	2.2
236.24452	1.7
249.14893	34.6
291.15915	3.8
315.16046	2.1
336.56976	2.0
396.05057	1.8
437.17993	4.7
490.29138	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	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
53.55752	0.9
55.01861	2.3
55.05508	4.7
57.03429	3.6
59.05018	1.2
61.02932	2.0
67.05508	4.6
69.03434	7.1
69.07067	2.6
71.04987	2.6
71.51653	1.1
72.08156	4.6
73.02912	2.3
79.05503	1.1
81.03432	7.2
81.07072	5.5
83.04995	5.9
85.02911	32.6
85.06533	1.4
86.09688	1.4
87.00828	7.0
89.16788	0.9
91.05492	2.9
93.07056	3.9
95.04971	2.8
95.08610	4.5
97.02898	12.3
97.06537	4.1
99.04465	6.4
105.01866	7.0
105.07043	4.7
105.89000	0.9
107.08597	6.5
109.02892	9.0
109.06522	14.8
109.10165	25.4
111.08080	4.7
112.61942	1.1
119.08594	8.9
121.10145	11.7
123.08083	5.9
123.11703	15.5
124.55072	0.9
125.09667	1.3
127.03935	13.7
131.08578	1.8
133.10156	3.7
135.11719	3.3
137.06026	1.9
137.08546	1.3
137.09624	27.4
145.04997	4.0
145.10100	2.3
147.08064	1.5
147.11690	16.6
149.09616	7.2
151.07532	7.1
151.11218	1.6
156.09448	1.1
159.02911	2.9
161.09666	1.0
161.13258	7.7
163.11208	3.5
164.07082	17.3
165.12767	100.0
171.11713	2.7
174.10396	2.9
179.14323	8.6
189.12793	17.2
197.07997	0.9
207.13820	68.2
211.16879	2.1
213.03909	1.2
225.14899	2.5
231.05057	3.7
243.83893	1.0
303.74741	1.0
331.20084	5.8
490.29184	16.0
490.35843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
55.01875	3.6
55.05521	1.7
57.03441	2.9
61.02927	2.5
67.05492	1.7
69.03432	18.4
69.07063	1.3
69.72327	7.6
71.04980	3.4
73.02917	3.4
79.05474	4.7
81.03419	14.6
81.06643	1.2
81.07060	5.9
85.02912	29.9
87.00838	12.9
91.05494	8.2
93.07052	6.5
95.04987	3.4
95.08616	7.4
97.02908	10.9
98.20734	1.3
99.04453	5.5
105.01896	7.5
105.07016	8.4
107.08617	5.4
109.02872	13.1
109.06521	11.5
109.10164	6.8
117.01870	1.8
117.07082	1.3
119.04942	1.5
119.08598	15.9
121.10152	27.6
123.08062	7.2
123.11701	5.8
125.06001	6.4
125.62376	1.2
127.03922	18.7
129.01891	1.5
129.07001	3.0
131.08575	24.3
133.06461	3.6
133.10129	5.0
135.08040	13.0
135.11707	2.5
137.06013	2.8
137.09621	4.1
143.08591	2.1
145.04947	8.9
145.10153	4.8
147.08063	24.1
147.11673	7.8
149.09647	10.9
151.07547	53.7
156.09389	2.4
159.02925	8.9
159.11858	1.7
161.09615	2.0
161.13280	24.7
163.11208	3.7
165.05461	1.5
165.09135	6.3
166.75401	1.4
171.11719	13.3
179.14294	7.0
189.12752	100.0
191.14325	24.0
205.16016	1.6
207.13811	62.0
224.08382	1.5
225.14900	24.5
231.04982	3.6
231.13849	2.9
249.06078	2.2
249.14935	3.3
291.16010	1.5
437.18005	1.8
455.19049	6.0
463.97577	1.5
490.18695	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28932	2.8
67.05498	2.8
69.03434	15.0
70.06632	2.4
71.05573	2.8
71.05901	3.3
79.05499	12.5
81.03391	2.5
81.07053	4.0
85.02904	26.9
85.06554	3.0
87.00823	6.3
87.96652	2.2
91.05489	22.1
93.07053	18.8
95.04951	2.4
95.08597	6.6
97.02907	7.1
97.98380	2.2
99.04525	2.4
105.01893	8.5
105.07042	12.4
107.08595	100.0
109.02867	4.8
109.06577	3.7
111.62019	2.4
116.06202	3.6
117.03408	4.7
119.08593	4.0
121.06511	4.1
121.10144	15.3
127.03931	9.6
127.07539	4.3
129.06969	4.0
131.08568	91.1
137.09602	4.8
145.02855	9.2
145.04950	5.4
145.10130	4.0
146.53821	2.2
147.08049	2.9
147.11682	21.2
149.05968	2.9
149.09627	21.4
159.11847	2.6
162.05510	3.7
164.07135	5.0
167.10739	2.5
171.11705	5.5
175.65131	2.2
177.05463	19.5
189.12749	62.1
190.04955	3.1
207.13817	40.0
213.03932	3.1
231.04982	6.3
347.15939	7.7
358.12054	2.2
419.16876	4.5
490.22101	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	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98363	0.7
53.03929	1.2
55.01870	1.5
55.05491	0.9
57.03440	1.4
61.02930	1.5
65.77773	0.9
67.05509	1.3
69.03100	0.9
69.03436	10.3
69.77882	4.0
71.04975	1.6
73.02920	1.4
74.09700	1.2
79.05497	1.6
79.87474	0.8
81.03053	0.8
81.03426	7.9
81.07056	3.4
85.02921	12.1
87.00845	6.5
88.43475	1.0
89.83710	1.0
91.05476	9.5
93.07024	1.6
95.04947	1.9
95.08600	3.1
97.02899	5.3
98.20837	1.4
99.04430	3.3
103.05513	1.0
105.01862	3.7
105.07037	14.3
107.08589	2.4
109.02872	5.2
109.06529	7.4
109.10152	1.4
111.08116	1.3
119.04904	4.5
119.08588	13.2
121.10140	2.8
123.08040	2.7
123.11652	1.0
127.03896	8.7
129.01814	1.3
129.07018	2.9
131.08559	23.4
133.06485	2.2
133.10126	3.3
135.08052	12.6
137.05991	1.0
137.09628	1.5
143.08574	2.3
145.04933	3.3
145.10130	2.0
147.08055	26.5
147.11693	1.8
149.09630	6.1
151.07547	41.4
156.09355	5.4
159.02904	2.8
159.11650	1.7
160.09721	2.0
161.13245	3.5
163.11174	2.2
165.12808	1.2
171.11679	15.8
189.12744	100.0
191.14305	19.8
207.13797	18.9
225.14876	4.2
231.04974	1.2
248.07298	1.0
324.90482	0.9
455.19025	3.0
465.00479	1.0
490.26239	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
55.01875	3.6
55.05521	1.7
57.03441	2.9
61.02927	2.5
67.05492	1.7
69.03432	18.4
69.07063	1.3
69.72327	7.6
71.04980	3.4
73.02917	3.4
79.05474	4.7
81.03419	14.6
81.06643	1.2
81.07060	5.9
85.02912	29.9
87.00838	12.9
91.05494	8.2
93.07052	6.5
95.04987	3.4
95.08616	7.4
97.02908	10.9
98.20734	1.3
99.04453	5.5
105.01896	7.5
105.07016	8.4
107.08617	5.4
109.02872	13.1
109.06521	11.5
109.10164	6.8
117.01870	1.8
117.07082	1.3
119.04942	1.5
119.08598	15.9
121.10152	27.6
123.08062	7.2
123.11701	5.8
125.06001	6.4
125.62376	1.2
127.03922	18.7
129.01891	1.5
129.07001	3.0
131.08575	24.3
133.06461	3.6
133.10129	5.0
135.08040	13.0
135.11707	2.5
137.06013	2.8
137.09621	4.1
143.08591	2.1
145.04947	8.9
145.10153	4.8
147.08063	24.1
147.11673	7.8
149.09647	10.9
151.07547	53.7
156.09389	2.4
159.02925	8.9
159.11858	1.7
161.09615	2.0
161.13280	24.7
163.11208	3.7
165.05461	1.5
165.09135	6.3
166.75401	1.4
171.11719	13.3
179.14294	7.0
189.12752	100.0
191.14325	24.0
205.16016	1.6
207.13811	62.0
224.08382	1.5
225.14900	24.5
231.04982	3.6
231.13849	2.9
249.06078	2.2
249.14935	3.3
291.16010	1.5
437.18005	1.8
455.19049	6.0
463.97577	1.5
490.18695	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99977	2.2
56.95294	2.5
59.04994	2.3
65.03922	2.4
65.45720	2.1
69.03429	12.1
70.06584	2.7
71.44029	4.0
79.05482	11.0
81.03407	6.6
81.07049	4.2
85.02907	22.9
85.06532	3.1
87.00807	6.9
91.05486	20.2
93.07054	17.2
95.04982	3.2
95.08590	5.3
97.02901	7.6
105.01860	9.9
105.07042	13.6
107.08597	100.0
109.02856	9.6
117.03360	2.9
119.08569	5.4
121.06525	4.6
121.10155	14.0
123.11638	4.1
127.03923	8.1
129.07034	2.6
129.61649	1.9
131.04869	2.5
131.08575	94.6
137.09590	6.7
143.08604	2.8
145.02823	8.1
145.04889	2.4
145.10161	3.9
147.11703	22.1
149.09637	23.6
156.09312	2.6
161.13210	2.5
162.05447	6.2
163.03954	2.5
164.07051	7.5
177.05446	21.6
189.11110	3.7
189.12761	58.6
190.05006	4.4
207.13812	42.0
231.04955	6.6
303.41101	2.3
347.15952	8.1
384.38861	2.8
393.19012	3.5
455.19022	4.5
490.21793	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	490.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02937	3.7
51.33678	4.1
55.05507	9.8
57.07059	3.9
61.72463	4.2
62.77371	4.1
63.57033	4.0
67.05508	18.0
69.03420	15.3
69.07066	11.3
79.05501	10.4
81.03413	7.7
81.07081	39.9
83.08608	5.7
85.02904	21.4
85.06561	7.2
87.00825	6.1
91.05483	15.6
93.07041	14.5
94.04183	5.1
95.04958	6.6
95.08591	22.2
97.02865	8.6
97.06554	7.0
99.04461	5.9
103.05506	4.5
104.78369	4.2
105.07079	20.3
107.04990	8.8
107.08600	21.9
109.06511	15.1
109.10181	14.6
111.04481	4.3
115.88443	4.4
117.07008	7.4
119.04945	11.9
119.08591	21.1
121.06498	10.5
121.09275	4.3
121.10145	13.2
122.03645	11.6
123.11703	14.7
125.06023	11.3
127.03942	13.8
131.08598	7.1
133.10187	21.3
135.08025	4.6
135.11751	6.4
137.05994	100.0
137.09608	6.3
138.06313	36.6
143.07063	7.2
145.10139	18.4
147.11707	15.4
149.09610	6.4
149.13283	7.4
150.30374	5.1
151.07562	10.1
151.11203	9.6
152.07872	5.9
157.08611	5.6
158.62001	4.0
159.11743	6.2
161.06021	5.1
161.13275	4.4
163.11205	27.7
164.07085	6.0
165.09152	7.5
167.07056	4.8
173.09627	14.1
175.07545	4.7
175.14821	5.3
176.07843	6.9
187.07578	6.9
187.11197	17.1
188.15208	4.9
189.12769	13.0
189.16377	19.8
205.12253	6.7
205.15916	6.6
207.13792	15.9
207.17398	9.1
215.10716	22.3
233.11754	60.6
239.16493	5.1
242.08174	6.8
242.18208	5.6
251.12874	20.1
270.08835	5.9
277.08356	5.2
278.08887	8.8
283.15460	18.3
288.11017	8.4
301.08420	4.9
304.10471	7.0
315.09924	5.6
316.10492	17.2
320.10358	6.4
321.11111	6.8
322.11719	11.0
335.12698	16.4
336.13223	37.0
347.12616	8.2
348.13098	20.0
366.14120	5.7
377.79675	4.1
418.14020	6.0
419.14383	12.4
420.15244	8.2
472.18243	15.1
490.19061	32.6
490.25858	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	490.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.05516	17.5
57.03436	7.5
59.60000	3.5
61.02907	3.8
67.05512	49.8
69.03408	10.5
69.07085	23.9
71.05000	6.1
75.48480	3.1
79.05497	39.5
81.03415	11.7
81.07066	71.6
83.04971	11.7
83.08608	13.2
85.02909	18.7
89.90849	3.3
91.05492	30.4
93.07055	52.0
95.04951	11.3
95.08621	32.3
97.02857	5.8
97.06544	14.9
99.04518	4.8
99.08113	3.9
105.07047	31.7
107.04964	5.1
107.08604	28.9
109.02843	5.1
109.06504	7.3
109.10175	16.1
111.08077	5.0
117.07017	12.5
118.08686	5.4
119.08601	28.1
121.06501	5.0
121.10136	24.8
123.08057	8.1
123.11722	9.3
127.03897	9.9
128.14827	3.2
129.06969	3.4
131.08563	14.8
133.10136	41.2
135.08057	4.9
135.11722	33.6
137.06000	6.8
137.09583	5.2
143.08516	3.9
145.04951	4.7
145.10126	16.2
147.11713	15.2
149.09618	8.2
149.13258	23.2
157.10005	3.4
159.11694	13.5
161.13214	5.4
163.11186	8.5
163.14861	3.6
167.15070	2.8
177.12758	4.5
181.12280	33.0
189.16417	5.1
195.13812	56.7
197.36124	3.1
199.13240	8.3
213.14905	19.2
229.19386	3.8
234.97638	3.3
235.16989	7.3
239.17897	6.2
257.19006	9.1
275.20081	100.0
293.21146	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	490.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.7
59.76116	1.6
67.05515	10.4
69.07072	5.2
70.68401	3.1
70.68736	3.7
79.05482	2.3
81.07082	8.7
83.08630	2.4
91.05470	4.3
93.07029	8.2
95.08609	8.6
97.10179	2.0
105.07037	4.4
107.08587	10.4
109.10133	10.1
110.28401	1.8
119.08568	7.5
121.10129	8.9
123.11688	2.3
131.08595	3.2
133.10136	2.8
135.11690	7.4
142.05002	1.7
145.10133	6.1
147.11647	2.6
149.13188	2.0
159.11711	7.0
161.13252	2.6
163.14801	8.7
173.13304	4.0
178.79836	1.9
181.15842	6.4
187.14830	7.4
201.16353	11.6
203.17982	12.8
219.17426	19.5
221.01491	1.8
227.17998	3.8
237.18571	10.7
267.21078	3.5
359.50101	2.0
391.33664	10.4
409.34647	78.3
412.97745	2.0
427.35745	27.0
445.36844	71.9
490.35983	12.9
490.42526	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	491.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.8
55.90653	0.5
56.96542	0.5
69.03422	1.5
70.06586	0.8
70.80065	1.2
81.03409	2.4
84.84901	0.5
85.02909	3.7
85.06515	0.6
89.03922	4.2
90.13725	0.5
91.05484	1.9
93.07006	0.6
97.02911	0.8
98.20901	0.7
99.04455	0.6
101.50245	0.5
103.05455	0.9
105.07032	0.6
107.04950	0.9
109.02856	1.2
117.03381	15.3
119.04955	1.2
119.08627	0.8
121.06464	0.6
127.03894	0.7
131.04985	0.7
134.03662	1.3
137.05995	4.3
143.09779	0.6
145.02856	41.9
147.04405	2.0
148.04836	0.5
149.05998	6.2
162.05443	0.6
163.03935	1.8
164.07106	2.9
168.06557	0.7
175.07591	1.0
177.05476	100.0
178.05890	1.1
187.07603	0.7
195.06573	0.8
209.38409	0.5
210.11391	0.6
260.74890	0.5
276.13226	0.5
283.09805	0.6
299.20462	0.5
311.12872	0.7
321.09677	2.4
339.10837	4.9
339.32095	0.6
362.16092	0.8
408.93448	0.5
477.96326	0.6
490.35226	0.6
491.19666	0.8
491.24774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94676	0.4
53.03931	0.6
60.81058	0.4
61.02925	0.5
69.03416	1.6
70.06581	0.7
70.79308	0.9
70.79628	0.5
71.04974	0.6
79.05496	0.9
81.03405	2.4
84.04530	0.4
85.02915	2.9
89.03912	4.9
91.05476	1.2
93.04944	0.4
93.07041	0.8
97.02890	1.0
99.04460	1.0
100.17820	0.4
103.05446	0.8
105.06991	0.5
107.04958	0.7
109.02871	0.8
117.03389	16.3
119.04929	0.7
121.06487	0.6
121.10157	0.6
122.06013	0.7
123.11752	0.4
127.03919	0.8
129.07062	0.5
131.04945	0.9
134.03664	1.3
135.04414	1.2
137.05978	2.8
145.02853	42.2
146.03159	0.5
147.04430	1.2
149.05994	6.4
150.05492	0.8
163.03899	3.4
164.07082	0.9
167.10707	0.6
168.06581	2.0
175.07605	1.0
177.05479	100.0
182.28523	0.5
187.07593	1.0
190.13150	0.8
191.35056	0.4
195.06509	1.1
207.06516	0.4
257.07925	0.5
321.09534	2.0
339.10797	4.5
362.15945	0.6
364.60880	0.4
417.83728	0.5
491.14413	0.7
516.94745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.6
55.01873	19.0
55.05277	2.0
55.05517	31.5
57.03433	5.4
59.04999	5.8
65.03948	2.2
67.05510	24.0
67.38767	1.4
69.03438	2.6
69.07073	8.5
70.07558	4.0
71.01346	2.0
71.05006	7.8
79.05495	42.9
81.03428	19.7
81.07066	37.1
83.01347	12.4
83.04993	25.2
83.08619	17.4
85.02922	5.7
85.06555	1.8
86.56654	1.6
91.05487	31.2
93.07053	44.9
95.04970	17.3
95.08617	15.3
97.02902	4.7
97.06535	11.2
97.10173	2.7
97.51479	1.5
99.04456	3.4
105.07037	21.3
107.04967	18.4
107.08603	26.9
109.02945	1.8
109.06525	12.4
109.10160	4.0
111.04449	7.4
111.08097	2.9
114.42548	1.6
117.07001	18.7
119.08597	20.7
121.06537	7.1
121.10162	14.5
123.08079	14.2
125.05988	3.0
125.09653	4.6
129.07022	3.0
130.07779	2.8
131.04805	1.7
131.08577	5.7
133.10158	4.5
135.08072	4.8
135.11708	25.2
137.09636	3.0
139.07544	2.0
143.08556	1.7
145.06548	4.9
145.10120	32.1
147.08102	4.5
151.11148	1.5
153.12773	10.6
163.11200	62.3
163.12567	3.1
173.09602	7.4
181.12225	11.9
191.10678	7.1
209.11722	21.4
227.12830	14.0
228.39478	1.6
364.94089	1.8
465.71381	1.6
491.26450	100.0
492.26956	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.9
55.01884	18.0
55.05517	32.9
57.03432	6.2
59.05003	3.6
67.05515	28.1
68.31735	1.7
69.03421	2.3
69.07067	9.1
69.41574	2.1
69.44662	5.7
69.45078	8.1
71.04996	11.2
79.05499	44.6
81.03426	22.4
81.07062	41.8
83.01351	14.4
83.04993	28.9
83.08627	13.7
85.02904	6.5
91.05488	38.3
93.07056	50.6
94.25879	1.9
95.04977	13.3
95.08607	17.4
97.02905	6.7
97.06526	9.4
97.10160	4.4
97.55622	1.8
99.04478	4.5
105.07037	22.5
106.40069	1.9
107.04974	21.7
107.08617	29.1
109.06528	11.5
109.10163	4.7
111.04475	6.8
111.08106	5.4
114.97310	1.9
117.07035	17.4
119.08606	21.2
121.06509	7.1
121.10145	16.1
123.04535	2.3
123.08076	17.9
125.05986	2.9
125.09628	4.6
129.07028	4.0
130.07787	5.3
131.08559	9.9
133.10176	4.7
135.08084	4.5
135.11697	30.0
137.09619	3.6
139.07578	2.3
145.06459	3.0
145.10135	35.5
147.08046	3.4
147.11665	2.4
149.09616	2.1
153.12764	13.7
155.08537	4.6
163.11200	63.6
165.48831	2.1
173.09691	8.3
181.12308	12.2
187.05380	1.9
191.10661	9.2
209.11754	20.2
227.12767	12.3
366.71677	2.0
491.26443	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	491.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
54.50966	1.1
55.01860	1.4
55.05516	9.5
56.63126	1.1
57.03433	2.5
57.07061	3.6
57.79369	1.1
58.66721	1.1
59.05003	2.6
65.03923	2.2
67.05173	2.0
67.05508	19.0
67.69185	1.1
69.03423	6.6
69.07085	6.0
69.11518	1.1
71.04990	10.0
71.18388	3.4
79.05496	23.8
81.03411	5.1
81.07059	100.0
83.08611	2.4
85.02908	7.4
85.06534	8.4
86.09711	1.6
89.05999	2.6
91.05463	5.0
93.07045	12.4
93.09457	1.2
95.04958	5.4
95.08608	20.6
97.02886	3.2
97.06472	1.5
97.10169	10.9
99.04464	2.7
99.08089	1.7
105.07041	6.5
107.07885	2.6
107.08600	42.3
109.02885	7.5
109.06499	3.7
109.10134	4.0
111.08064	2.7
121.10116	4.0
123.08067	3.4
123.11710	81.8
125.09634	9.1
127.03931	12.6
133.10127	5.1
137.05966	1.8
141.12709	3.8
143.10680	23.3
145.04913	1.6
145.10056	1.5
151.11191	17.7
164.07126	1.7
165.09152	1.4
169.12242	55.4
177.05428	2.1
179.14198	1.9
187.13284	21.4
190.83026	1.4
229.14340	2.9
233.11646	1.8
249.14911	1.3
269.13849	1.7
277.14331	3.2
295.15350	14.5
313.16479	8.4
331.17496	47.2
491.29355	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.5
57.07082	3.9
67.05503	15.3
69.03429	7.0
69.07078	5.1
69.37947	3.6
69.38354	9.9
71.04996	9.7
79.05505	28.3
81.03414	7.0
81.07064	100.0
82.68947	1.9
85.02914	7.9
85.06551	3.7
91.05487	5.5
93.07053	9.6
95.04967	6.3
95.08622	17.0
97.02889	4.0
97.10155	10.8
99.04495	3.2
99.08109	2.8
105.07053	5.4
107.08599	35.6
109.02896	7.4
109.06530	2.2
109.10151	5.2
111.08117	3.7
121.10144	3.8
123.11718	79.5
125.09644	10.3
127.03915	11.7
133.10095	5.0
143.10699	24.1
143.27979	1.9
151.11197	15.3
153.09111	2.2
164.06993	2.0
169.12254	61.6
187.13297	19.6
214.65321	1.8
229.14452	3.5
277.14426	4.5
295.15442	13.8
313.16403	8.2
331.17526	45.2
502.51471	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3009
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
50.88928	2.3
53.03953	12.2
55.01865	8.5
55.05516	38.6
57.03442	15.4
65.03951	5.1
67.05508	71.4
69.03434	5.6
69.07074	17.0
71.04992	9.3
71.18261	3.6
79.05499	83.4
81.03425	80.0
81.07060	73.6
83.04992	20.5
83.08624	33.1
85.02907	12.3
85.06534	3.7
91.05489	100.0
93.07050	72.0
95.04979	40.1
95.08616	35.7
97.06531	6.4
97.10184	12.9
103.05444	3.4
105.04537	3.7
105.07040	60.5
107.04955	13.1
107.08598	25.6
109.06525	8.9
109.10167	10.2
111.08089	12.1
115.05457	3.1
117.07027	20.9
119.08593	40.6
121.06518	8.5
121.10153	13.7
123.08061	6.6
123.11700	11.5
125.09616	8.8
127.03909	2.2
128.06178	5.8
129.07013	30.3
131.08554	21.0
133.06482	5.6
133.10141	21.4
135.08041	3.3
135.11708	3.9
137.05974	2.9
141.07016	3.6
142.07724	5.0
143.08566	13.1
145.10138	15.5
147.08095	8.2
147.11707	40.0
149.09576	5.3
151.07581	2.7
155.08589	3.9
155.76259	2.1
157.10074	10.7
159.11734	3.7
161.09622	3.0
161.13318	10.1
163.07570	2.6
163.11208	5.1
165.12790	3.0
169.10162	3.8
171.11685	26.2
171.12990	2.9
173.13213	3.9
175.11214	11.8
177.05583	2.5
185.13312	4.0
187.13321	6.1
189.11174	5.2
189.12796	11.2
193.12241	30.1
207.13814	30.6
211.13272	25.8
225.14830	3.2
227.12793	10.9
231.13960	2.1
243.15988	3.2
249.14935	11.1
251.77983	2.2
267.15918	37.8
269.60495	2.3
274.88376	2.4
278.33865	2.3
281.17477	32.8
305.17502	6.0
353.24704	2.4
363.23026	4.8
381.24374	2.9
399.25311	7.7
417.26212	2.4
455.28073	2.6
473.29044	79.4
491.16968	6.9
491.30203	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.05515	22.9
55.67534	1.3
57.03442	1.4
57.07078	12.6
61.02890	1.8
65.03949	1.4
67.05511	31.1
67.92963	1.3
69.03442	3.5
69.07070	48.1
71.04999	1.4
71.08633	4.5
71.52257	1.9
79.05488	13.9
81.03405	3.1
81.07059	92.3
82.33679	1.2
83.08622	28.8
85.02901	10.5
85.06527	8.3
85.10194	2.1
91.05469	4.9
93.07043	15.0
95.04962	2.2
95.08611	100.0
97.02878	4.3
97.10170	21.6
99.08081	7.8
105.07028	6.2
107.08602	17.7
109.02876	3.0
109.06526	1.9
109.10159	60.2
111.08075	2.3
111.11723	17.0
113.09642	1.8
117.07056	1.5
119.08598	4.4
121.06525	2.6
121.10156	14.3
123.11703	30.2
125.05997	2.5
125.13285	10.4
127.03921	2.9
127.11188	4.1
131.04842	1.4
131.08585	2.2
133.06580	1.7
133.10139	2.5
135.08060	2.3
135.11702	10.6
137.05977	2.8
137.13245	16.5
139.14838	2.8
141.12810	1.5
143.08507	1.8
143.14313	3.8
145.04997	1.6
145.10117	1.7
145.69681	1.6
147.11792	1.6
149.13245	19.6
151.07535	5.0
151.14816	21.4
153.12744	3.2
157.15880	3.0
159.11687	2.4
163.11198	2.1
163.14821	9.8
165.09122	2.8
165.16386	8.7
167.06982	2.0
167.14288	2.3
169.15808	2.5
173.13260	1.7
177.09053	2.6
177.16400	4.5
179.17986	3.8
191.17914	4.2
193.19612	2.5
199.20470	1.7
205.19476	2.6
219.21165	2.9
237.22144	1.9
249.25639	2.4
255.10124	4.1
275.27258	11.6
281.28391	4.4
293.28394	27.3
298.06351	1.6
304.41061	1.4
311.29453	13.2
329.30612	3.1
491.17188	3.8
491.26428	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	492.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01856	5.1
56.96562	11.8
57.03439	11.7
60.03179	2.6
61.02927	14.8
65.75271	2.1
67.05502	7.5
69.03434	36.5
69.34982	17.6
71.05004	4.7
72.08144	2.2
73.02911	11.7
79.05493	28.8
79.74043	2.1
81.03416	17.8
81.07037	5.2
84.96025	4.8
85.02907	100.0
86.03216	3.6
87.04471	3.7
91.03951	8.9
91.05477	5.0
93.07060	10.7
95.04977	6.6
95.08600	21.0
97.02899	40.6
98.97588	58.4
99.04452	6.2
101.00848	5.6
105.07037	21.8
107.05002	2.3
107.08594	6.3
109.02875	10.1
109.06522	2.9
110.97561	10.5
112.99167	3.7
116.98635	17.1
119.01872	3.4
119.04958	4.7
121.06512	9.0
123.08079	23.7
127.03912	28.8
128.98627	5.4
131.01848	3.0
134.70186	2.5
134.99699	4.3
137.05960	19.9
141.09109	32.6
143.00192	5.4
143.01950	5.4
145.04968	37.4
146.99698	2.3
147.03127	2.4
147.04388	5.9
155.00266	2.1
155.01869	4.0
157.01674	2.4
158.99677	29.0
159.10159	3.6
161.01398	2.3
161.02904	5.6
162.99220	2.5
163.03902	11.3
163.06006	2.9
164.05888	3.7
167.07115	3.6
170.99615	4.9
171.05095	3.0
172.05354	3.1
172.06526	10.8
173.01242	3.0
173.02943	7.1
173.06485	3.6
177.00670	11.9
180.05461	14.4
180.55643	4.1
180.99944	2.6
181.07162	5.0
185.04860	5.3
189.00757	3.2
189.05972	20.8
189.56174	3.3
191.03883	2.5
197.04845	6.1
199.06433	4.9
199.08214	3.1
201.00778	3.2
203.04074	5.6
211.08118	5.7
213.04393	2.9
215.05968	6.7
219.01736	18.2
221.05096	9.9
223.08156	20.2
225.09750	2.8
235.08109	7.8
237.02716	12.6
237.09674	3.6
239.05951	21.8
240.06276	3.7
241.00175	2.0
241.09222	10.4
242.10774	5.4
243.05321	2.9
251.07605	2.3
251.08794	3.1
251.11259	29.2
251.61374	4.6
253.09225	23.5
254.09233	4.4
256.07858	2.7
257.06961	8.0
259.10193	11.7
260.10364	2.4
261.08282	3.5
265.09265	2.8
270.08551	5.3
271.10275	5.1
271.25055	2.2
283.10309	15.1
285.02774	4.6
295.10333	4.9
303.03833	3.8
303.07419	5.0
303.11105	2.4
313.11334	9.0
321.08527	5.0
323.13406	10.7
324.09872	2.8
325.10873	4.8
325.60629	3.0
327.03882	3.3
331.61945	2.5
332.13773	74.4
332.64124	16.9
333.13724	8.1
340.12808	7.4
340.59280	2.6
340.62756	11.4
341.13354	5.4
343.12399	73.2
344.12540	7.3
351.11404	4.3
359.10242	12.5
360.11057	5.0
361.13553	23.6
362.13718	3.4
363.09427	14.1
377.11148	9.8
492.14600	3.4
492.21359	43.3
493.12115	7.3
501.13821	2.5
501.21747	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01879	2.3
55.05517	11.0
57.03418	2.7
57.07076	2.5
67.05505	3.5
69.03417	9.6
70.85706	4.2
71.04987	4.3
73.02924	2.7
74.28234	1.9
79.05497	4.1
79.22404	1.8
81.03416	7.8
81.07059	11.0
83.04973	12.7
83.08623	7.9
85.02909	15.4
85.06538	2.6
86.09671	2.0
87.00827	8.3
89.03886	1.9
91.05497	5.6
93.07051	6.4
95.04970	52.3
95.08602	5.3
97.02906	7.3
97.06528	5.5
99.04449	15.9
105.01874	9.6
105.07056	11.7
107.08610	13.2
109.02893	7.0
109.06551	14.5
109.10164	20.0
111.08083	3.5
115.07590	2.0
117.03397	5.4
119.08614	7.8
121.10151	13.1
123.08044	3.7
123.11742	5.5
125.09641	3.2
127.03902	14.5
131.08580	8.0
133.10138	25.9
135.08083	3.5
135.11742	2.8
139.11145	2.0
143.08548	3.0
145.02873	18.4
145.04938	5.0
145.10143	3.4
147.11714	5.9
149.05916	2.2
149.13272	4.7
151.11186	10.5
153.09120	21.5
158.10849	3.4
159.02884	3.4
163.03865	2.8
163.14893	2.9
164.07191	2.3
167.14264	10.4
173.13286	17.2
175.14867	4.1
177.05476	39.8
191.14325	21.9
209.15372	100.0
227.16428	9.6
231.05011	2.9
246.47174	1.8
339.10687	2.6
436.47437	1.9
439.19870	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44593	0.8
53.03948	2.1
54.09851	0.7
55.01868	2.2
57.03430	1.1
61.02919	1.5
67.05488	0.8
69.03433	5.6
69.07072	0.9
70.85778	0.8
71.04980	1.3
73.02901	1.4
75.31116	0.8
79.05538	1.0
80.17342	0.7
81.03430	6.7
81.07042	1.5
83.04964	0.8
85.02914	16.0
85.06545	0.9
87.00837	8.8
89.03072	0.7
91.05477	2.0
93.07056	2.4
95.08615	7.2
97.02903	9.0
97.06540	2.7
99.04450	2.9
105.01891	9.6
105.07043	4.4
107.08607	2.2
109.02888	5.6
109.10229	0.7
117.07098	1.1
119.08586	2.1
121.10174	4.2
123.11736	0.8
126.69070	0.7
127.03925	13.3
129.01846	1.0
131.08543	5.8
133.10143	100.0
134.10431	1.2
135.08069	2.0
135.11688	1.0
138.86444	0.7
139.11214	0.8
145.04956	6.0
145.10159	2.6
147.02951	1.2
147.11670	1.9
149.09599	1.1
149.13283	2.4
151.11182	4.0
158.10954	3.8
159.02928	4.4
163.14825	2.2
173.13269	29.9
191.14325	23.7
191.16098	1.1
209.15410	8.5
227.16525	1.8
231.05005	5.6
249.05978	1.0
431.25955	0.8
437.76599	0.7
492.19174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.05521	15.0
65.41278	2.0
67.05497	6.9
69.03426	7.8
69.07063	5.7
69.57990	8.8
69.58398	5.8
70.04256	2.1
70.06264	2.2
70.06606	26.1
71.04970	3.6
77.83004	2.0
79.05515	4.9
81.03421	5.2
81.07040	7.1
83.04976	9.1
83.08614	10.5
84.08138	2.5
85.02910	14.2
87.00827	3.7
88.18844	2.1
91.05501	6.2
93.07058	11.5
95.04948	14.9
95.08600	10.2
97.02892	7.6
97.06512	6.8
97.10156	2.9
99.04456	4.4
105.01865	6.1
105.07017	7.0
106.02924	4.6
107.08605	15.8
109.02876	6.8
109.06519	5.1
109.10161	12.0
111.08064	7.0
112.07585	4.5
115.07533	2.6
119.08583	8.4
121.06559	2.3
121.10148	16.0
123.08130	2.4
123.11658	2.9
124.03925	9.0
125.09638	6.4
127.03933	8.0
131.08533	3.8
133.10103	9.6
135.08055	6.4
135.11674	4.0
137.05995	17.5
145.04959	3.8
147.04414	3.6
147.11693	2.6
149.09601	2.9
149.13278	11.3
151.07535	5.5
151.11215	15.7
153.09142	3.8
163.07507	3.5
163.14882	5.3
164.07118	11.2
165.12646	2.6
166.08693	5.4
167.14326	17.0
173.13248	12.6
177.05470	4.6
191.14297	26.6
209.15388	100.0
222.41490	2.5
227.16512	4.5
268.08133	7.3
272.10825	2.4
274.12848	2.5
327.09808	2.6
339.09689	2.8
448.29172	4.4
492.26321	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72644	1.2
53.03937	5.4
54.38562	1.3
55.01862	6.4
55.05515	9.3
57.03445	7.4
57.87191	1.6
59.04987	3.4
61.02940	3.4
65.03923	1.6
67.05504	13.8
68.99794	2.3
69.03432	29.7
69.07066	15.6
69.20892	14.4
71.04998	14.1
73.02908	4.9
79.05497	29.7
79.05937	1.3
81.03412	17.8
81.07057	42.1
83.04984	7.9
83.08611	7.7
85.02907	57.8
85.06550	6.8
87.00828	24.6
91.05473	13.9
93.07047	28.3
95.04957	7.2
95.08610	34.3
97.02898	17.9
97.06544	8.5
97.10117	2.0
99.04459	40.2
101.06024	8.5
105.01866	30.6
105.07037	21.3
107.08596	100.0
109.02883	20.5
109.06517	15.4
109.10162	18.1
111.08084	2.7
113.05992	1.8
115.07578	2.2
117.01847	2.5
119.08582	12.6
121.06503	4.7
121.10146	45.8
123.08113	7.0
123.08878	1.4
123.11701	5.2
125.09638	4.4
127.03912	46.3
127.07571	2.3
129.01849	1.9
129.09131	2.3
131.08598	10.0
133.10138	18.9
135.08034	11.1
135.11678	10.0
137.05962	2.4
137.13280	2.6
139.11182	4.0
145.04958	20.3
145.10144	5.8
147.02875	1.9
147.04410	9.4
147.11705	8.3
149.09618	2.5
149.13237	13.6
151.11166	7.8
153.09099	1.8
159.02899	11.6
161.13268	34.2
163.03902	1.8
163.11133	2.3
163.14832	22.6
165.12773	3.7
173.13293	13.3
175.14752	1.9
177.04030	1.5
179.14314	91.4
181.15770	2.0
189.03926	2.3
191.12517	2.2
191.12973	1.2
191.14302	55.4
197.15369	20.4
209.15370	70.6
213.03970	2.4
227.16414	17.3
231.04942	15.5
249.05927	4.5
267.10205	2.5
301.27176	1.4
316.86670	1.5
492.24432	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	492.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.9
55.01863	3.6
57.03431	2.1
61.02927	2.1
67.05492	5.1
68.99786	2.3
69.03438	14.4
69.07060	2.7
70.06601	1.6
71.04987	4.5
71.05370	1.7
71.52646	1.6
71.53020	1.7
73.02930	2.6
79.05502	3.3
80.80620	1.4
81.03416	13.3
81.07067	13.3
83.04961	1.8
85.02909	27.6
85.06540	10.4
87.00836	14.2
91.03920	1.4
91.05481	8.5
93.07051	16.4
95.04958	4.7
95.08606	18.7
97.02899	17.4
97.06529	3.2
99.04472	9.7
99.08076	1.8
105.01868	14.1
105.07030	29.4
107.08617	14.4
109.02888	16.4
109.06516	5.3
109.10152	8.6
117.01891	2.1
117.07012	1.8
119.08581	24.8
119.26645	1.5
121.10139	19.2
123.08044	2.1
123.11739	3.5
127.03923	24.7
131.08577	26.7
133.10135	96.4
137.06035	2.3
137.52745	1.3
143.08601	2.5
145.04984	9.1
145.10172	7.5
147.04523	2.0
147.11705	6.4
149.13313	4.3
151.11188	78.9
153.05475	3.4
158.10886	4.2
159.02888	6.0
160.44563	1.8
161.13252	22.6
163.14848	9.8
171.11610	2.1
173.13271	45.5
175.14812	4.5
179.14351	14.4
184.07324	2.4
191.14310	49.1
197.15436	2.4
209.15378	100.0
213.04022	2.3
227.16441	5.6
231.04968	11.0
249.06155	1.6
274.79196	1.3
299.16272	1.9
403.17749	2.0
492.18884	4.7
492.26886	1.6
492.38922	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01875	3.5
55.05515	5.4
57.03437	2.6
62.74733	1.1
67.05513	7.9
68.99782	1.5
69.03432	4.0
69.07068	3.4
70.06590	2.3
71.51555	1.8
72.08163	20.7
73.02919	1.3
79.05492	21.8
81.03438	3.6
81.07059	12.2
83.04972	13.2
83.08578	1.3
84.04521	1.5
84.08135	1.8
85.02906	9.9
85.06561	3.3
86.09724	3.1
89.07482	1.2
91.05494	7.4
93.07055	29.2
95.04993	5.3
95.08614	44.7
97.02917	6.5
97.06547	3.3
100.82857	1.3
103.05494	2.1
105.07039	65.6
107.04943	2.4
107.08626	1.6
109.06525	21.3
111.04440	15.4
111.08088	65.2
113.06052	2.9
118.06564	4.6
119.04967	4.8
119.07311	1.9
121.06493	1.9
122.06071	2.8
123.08071	34.8
127.03922	1.6
127.07589	2.1
131.08624	1.5
137.05986	31.8
141.09105	19.5
145.04996	2.0
147.04407	9.6
147.11743	1.7
148.04819	3.4
154.45338	1.6
155.07037	64.8
162.05623	1.7
163.03914	9.0
164.07079	65.3
168.06526	6.3
168.13878	2.6
188.03786	22.1
191.14310	1.8
206.08260	1.4
207.06657	1.7
265.14355	100.0
277.14511	5.6
295.15421	36.8
295.18564	2.1
306.17001	1.9
313.16376	10.7
314.06897	8.8
331.20190	9.6
332.08069	2.6
347.16156	1.9
364.13187	1.5
377.20715	1.7
393.60907	1.4
415.10852	4.2
464.11899	1.5
475.32968	1.3
492.23691	56.5
493.24521	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
53.49971	2.9
57.03432	4.6
61.02905	5.8
61.08701	2.9
67.05493	6.0
69.03439	26.4
69.07074	4.9
71.04967	7.0
71.05599	4.5
72.08137	5.3
73.02908	4.3
79.05490	7.0
81.03407	21.0
81.07054	17.0
83.04976	3.4
85.02906	58.2
86.09668	3.7
87.00833	33.1
91.05492	10.4
93.07057	18.3
95.04956	3.3
95.08587	10.2
97.02890	27.3
97.05929	7.0
97.06534	100.0
99.04436	13.1
105.01866	37.9
105.07036	27.0
107.08607	41.5
109.02876	30.5
109.06497	9.9
109.10165	6.9
109.64896	2.9
117.07016	6.1
119.08584	20.3
121.06502	6.3
121.10129	20.1
123.08070	6.3
123.11744	4.1
127.03924	48.8
131.08572	24.8
133.10146	40.3
135.08035	4.4
135.11641	5.0
137.05995	3.6
137.09552	3.2
145.04919	18.9
145.10088	7.6
147.08009	3.9
147.11670	21.9
149.09599	8.0
149.13191	21.3
150.09140	5.6
151.11180	5.3
153.09105	4.3
159.02881	5.5
161.13245	3.8
162.05487	22.6
163.03957	3.5
163.14821	5.3
164.07068	46.1
169.12248	14.3
173.13268	41.4
175.14809	25.4
177.05527	7.1
190.04979	14.7
191.14325	97.9
209.15378	96.3
213.03915	6.7
227.16435	55.3
231.04964	12.3
303.17068	5.9
316.08151	4.0
333.14444	12.6
333.37619	4.2
347.16434	4.2
394.59534	3.3
439.19504	6.8
492.23517	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.8
67.05509	28.0
68.05823	6.6
69.07063	8.2
70.07987	17.3
72.08163	13.4
78.15648	4.3
79.05487	37.2
80.05855	11.9
81.03408	24.1
81.07060	35.8
82.03738	6.4
82.07378	7.7
83.04974	6.7
83.08604	9.7
85.02891	5.4
88.33900	5.8
91.05481	44.5
92.01856	5.0
92.05830	7.9
93.07043	27.7
94.07368	9.0
95.04965	17.2
95.08606	13.8
97.06567	8.5
97.10161	5.4
105.07032	22.0
106.07333	7.8
107.08605	15.3
109.06493	13.7
109.10147	9.1
111.08080	8.2
113.35370	5.1
117.06974	5.1
119.08579	11.9
120.08108	20.4
120.08877	5.9
121.06512	9.5
121.10128	6.4
129.07051	7.9
130.07280	6.4
131.08597	4.8
132.08926	4.8
132.40613	4.7
133.10124	12.1
137.05026	9.6
137.05988	100.0
145.10068	9.0
147.11674	13.4
149.09639	6.5
151.06384	5.0
151.21350	4.9
159.11725	7.8
162.37622	4.3
171.11697	6.8
190.13087	6.2
201.94284	5.3
208.14218	5.5
247.14464	5.8
267.15765	7.5
268.16220	6.3
281.17520	7.8
282.17664	13.1
457.36786	6.8
474.29382	27.3
492.30157	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	493.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01872	3.5
57.03428	2.9
58.87921	1.1
61.02923	5.2
67.05446	1.2
69.03421	6.3
71.51485	2.3
72.08139	1.8
73.02936	2.5
79.05476	4.0
81.03413	2.6
81.07072	2.8
83.01379	1.3
84.08135	3.5
85.02908	17.7
85.90862	1.3
91.05493	9.4
92.63268	1.4
93.07058	6.6
95.01321	7.2
95.04960	1.7
95.08603	1.6
97.02898	5.5
98.97599	6.9
99.04436	2.2
103.05477	4.2
105.07012	3.0
107.04228	1.5
107.04962	27.4
107.08547	1.7
109.02975	1.9
109.06533	4.5
113.02322	1.6
119.04933	7.5
120.05736	8.5
121.06513	100.0
123.08069	1.4
127.03919	3.6
129.01863	2.1
131.04918	7.5
131.08580	1.4
133.06506	12.5
135.04402	1.8
137.05975	24.5
141.01854	2.7
141.06917	1.7
145.04967	2.7
145.06520	4.1
147.04414	15.3
147.08067	2.4
149.06012	12.7
155.07048	1.5
157.06522	2.4
158.99677	4.0
159.04433	3.5
159.08041	1.7
161.01131	1.4
161.05984	11.7
163.03876	4.2
163.07642	2.5
164.05867	2.1
164.07071	4.7
165.05478	4.3
169.06465	2.2
173.06049	3.7
175.03909	2.8
175.07584	2.2
177.00783	1.7
177.04034	1.8
177.05472	4.7
179.07007	3.0
181.06232	2.5
185.06006	1.6
187.07597	2.8
189.05492	6.2
195.06567	2.0
201.05563	1.9
203.07147	3.6
205.04811	1.2
207.06541	5.7
213.05508	1.4
215.07086	4.3
217.04959	1.6
219.01776	1.5
220.48773	1.4
221.07964	1.7
229.05167	1.4
231.06567	1.9
233.08078	35.1
237.76498	1.5
239.05812	1.6
247.06079	2.1
249.07599	10.4
259.06067	3.5
264.07813	2.0
267.08566	8.0
277.07037	11.2
283.08157	2.3
295.08142	23.4
313.09229	5.4
331.10260	40.9
332.13223	1.4
333.13858	4.6
335.08829	6.2
336.09738	3.3
336.59827	1.5
340.09311	2.7
416.11533	8.0
416.61279	1.9
430.26099	1.8
493.15991	9.1
493.22714	2.1
509.35483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1705
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
58.65228	0.4
63.87994	0.5
66.33749	0.5
67.05493	0.9
69.03435	1.1
70.80439	1.5
79.05455	0.5
81.03404	1.9
81.07044	2.9
81.13811	0.6
85.02900	1.5
88.85361	0.5
89.03911	7.2
91.05450	0.8
93.07054	0.6
95.04949	0.7
99.04456	0.6
104.11362	0.5
105.06981	0.5
107.08599	0.5
109.02888	1.1
117.03387	21.2
123.11714	1.9
127.03895	0.7
134.03613	1.9
135.04422	1.0
137.06012	2.9
145.02847	49.0
149.05981	6.7
151.11157	0.5
155.08432	0.6
161.05968	1.0
163.03876	0.8
165.05472	0.9
169.12228	1.2
177.05475	100.0
178.05811	1.1
179.07033	0.6
182.11165	0.5
183.73116	0.5
189.05392	0.6
192.14592	0.7
195.06509	1.0
209.15526	0.5
210.15706	0.6
245.07910	0.6
264.15268	0.5
289.23944	0.5
310.42828	0.6
321.09665	1.9
331.17502	1.1
339.10730	3.8
350.71188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19328	1.6
55.05508	8.8
55.19710	1.9
57.03431	1.8
57.07066	3.9
64.64826	1.9
67.05507	17.8
69.03419	8.8
69.07064	6.2
70.06586	1.9
71.04979	10.2
79.05497	7.3
81.03420	9.7
81.07056	100.0
83.08612	4.0
85.02908	14.3
85.06540	6.5
89.06004	1.8
90.75095	1.7
91.05479	4.0
93.07047	11.4
95.04980	6.1
95.08624	19.3
97.02897	3.9
97.06544	2.4
97.10195	9.5
98.21648	3.3
99.04453	3.0
99.08105	3.5
105.07017	4.2
107.08605	5.6
109.02892	9.5
109.06514	5.0
109.10193	4.8
111.08094	3.0
121.10159	4.1
121.31302	1.8
123.08085	1.6
123.11705	70.3
127.03942	13.2
133.10136	6.5
137.05991	5.7
137.09613	1.9
139.11110	2.0
141.12787	2.5
145.02791	2.6
151.07558	2.9
151.11189	14.9
163.03879	5.2
166.08414	1.8
169.12234	58.1
177.05524	3.7
187.13300	18.4
191.14323	2.3
192.14633	3.8
198.81190	1.7
208.89055	1.7
209.15352	3.5
210.15681	5.6
227.16429	2.9
263.10934	1.8
277.14139	2.6
285.66522	1.7
287.12778	2.7
295.15451	9.3
313.16339	8.9
331.17474	26.6
379.80829	1.9
393.65222	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19328	1.6
55.05508	8.8
55.19710	1.9
57.03431	1.8
57.07066	3.9
64.64826	1.9
67.05507	17.8
69.03419	8.8
69.07064	6.2
70.06586	1.9
71.04979	10.2
79.05497	7.3
81.03420	9.7
81.07056	100.0
83.08612	4.0
85.02908	14.3
85.06540	6.5
89.06004	1.8
90.75095	1.7
91.05479	4.0
93.07047	11.4
95.04980	6.1
95.08624	19.3
97.02897	3.9
97.06544	2.4
97.10195	9.5
98.21648	3.3
99.04453	3.0
99.08105	3.5
105.07017	4.2
107.08605	5.6
109.02892	9.5
109.06514	5.0
109.10193	4.8
111.08094	3.0
121.10159	4.1
121.31302	1.8
123.08085	1.6
123.11705	70.3
127.03942	13.2
133.10136	6.5
137.05991	5.7
137.09613	1.9
139.11110	2.0
141.12787	2.5
145.02791	2.6
151.07558	2.9
151.11189	14.9
163.03879	5.2
166.08414	1.8
169.12234	58.1
177.05524	3.7
187.13300	18.4
191.14323	2.3
192.14633	3.8
198.81190	1.7
208.89055	1.7
209.15352	3.5
210.15681	5.6
227.16429	2.9
263.10934	1.8
277.14139	2.6
285.66522	1.7
287.12778	2.7
295.15451	9.3
313.16339	8.9
331.17474	26.6
379.80829	1.9
393.65222	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.1
55.05521	10.0
57.03424	2.1
57.07076	3.5
58.95036	1.5
60.27268	1.6
67.05508	16.9
69.03436	8.4
69.07053	4.1
69.72804	4.9
69.73233	6.0
71.05000	10.3
71.05317	1.6
74.06975	1.6
79.05482	7.3
81.03414	11.0
81.07058	100.0
83.08607	2.9
85.02901	12.2
85.06535	6.5
89.03896	6.5
91.05453	4.8
93.07055	12.9
95.04976	9.6
95.08607	22.7
97.02883	6.4
97.10175	12.8
99.04441	3.4
99.08107	3.7
105.06995	5.9
107.08577	8.0
107.76834	2.1
107.77619	1.9
109.02853	9.1
109.06500	4.0
109.10155	6.3
111.08052	3.4
113.28077	1.8
117.03380	18.8
119.08578	2.1
121.10153	4.4
123.08075	1.7
123.11714	80.3
127.03949	15.2
133.10126	7.4
137.05951	8.1
140.22617	1.7
141.12799	3.4
145.02858	46.8
149.05952	7.9
151.07561	2.5
151.11182	14.6
163.03969	3.0
169.12244	60.0
177.05466	92.8
187.13303	21.1
192.14644	2.3
209.15456	3.1
210.15622	2.9
275.83084	2.0
277.14331	1.9
295.15393	11.2
303.04825	2.5
313.16403	8.2
331.17511	32.9
339.10886	2.8
493.26190	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	493.2795
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03955	5.7
55.01877	9.5
55.05515	20.4
57.03437	12.0
59.04990	2.0
59.24847	0.9
67.05505	25.8
67.50961	0.9
69.03413	3.1
69.07076	7.4
69.96516	4.7
71.01369	1.0
71.04987	6.5
73.02917	0.9
79.05496	33.4
81.03419	48.0
81.06593	1.7
81.07062	28.9
81.35477	1.0
83.01357	6.3
83.04984	17.2
83.08621	23.0
85.02911	24.6
89.53249	0.9
91.05486	31.0
93.07047	31.2
95.04968	22.3
95.08607	11.4
97.02888	3.6
97.06515	5.5
97.10166	4.5
98.21406	1.6
99.04466	2.8
103.05468	1.3
105.07038	23.6
107.04956	11.8
107.08598	15.7
109.06532	7.5
109.10152	3.0
111.04448	3.4
111.08092	9.9
113.06026	2.2
115.05444	1.9
117.07014	7.7
119.08595	18.4
121.06528	4.9
121.10143	12.5
123.08074	6.0
123.11685	1.2
125.05995	2.0
125.09644	3.5
129.07018	7.3
130.07825	1.5
131.04924	1.2
131.08562	8.1
133.06499	2.5
133.10144	6.3
135.08067	1.5
135.11711	9.3
137.05974	2.2
137.09651	2.3
142.07730	1.7
143.08513	1.2
145.06509	1.3
145.10136	11.0
147.08037	3.5
147.11682	8.7
149.09633	4.5
151.07590	1.8
153.12807	2.4
155.08601	1.3
157.10147	7.9
162.89949	1.1
163.11186	21.3
165.12733	2.4
173.09608	3.0
175.11215	9.0
181.12221	3.2
191.10712	1.7
193.12242	39.5
209.11742	6.8
211.13303	49.3
227.12822	3.3
249.15018	1.0
267.15897	4.4
283.15405	2.6
303.16470	0.9
369.68353	1.1
383.22305	1.2
401.23157	2.9
407.41650	1.0
475.27090	3.8
493.27960	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	493.2799
Annotation	Mucronine B
Peak:m/z	Relative Intensity
52.75821	1.0
53.03950	5.3
55.01875	10.4
55.05514	23.4
57.03445	8.5
57.07083	1.2
59.05002	2.8
63.72972	1.1
65.03942	2.3
67.05508	30.0
69.03429	6.5
69.07066	9.5
69.61441	2.4
69.61859	4.2
71.01363	2.2
71.05000	8.1
74.80399	1.1
77.03957	1.4
79.05496	32.4
81.03420	51.2
81.07060	48.3
83.01346	5.3
83.04989	20.2
83.08625	20.9
85.02383	1.3
85.02907	27.7
85.06551	3.5
87.91841	1.1
91.05487	32.1
93.07050	35.2
95.04967	23.3
95.08055	1.9
95.08612	18.5
97.02893	4.7
97.06557	6.8
97.10165	7.0
99.04462	3.4
99.08108	1.3
102.00102	1.4
103.05497	3.1
105.07037	25.9
107.04962	10.4
107.08593	16.8
109.02863	2.1
109.06531	8.5
109.10180	6.0
111.04446	4.4
111.08081	9.5
113.06005	2.4
115.05445	1.7
117.07016	9.3
119.08585	17.7
121.02869	1.1
121.06555	6.0
121.10133	11.1
123.08057	8.0
123.11709	12.8
125.06017	1.6
125.09628	3.6
127.03896	3.4
128.06172	1.3
129.07014	8.3
130.07808	2.2
131.08571	8.5
133.06487	3.3
133.10130	8.1
135.08067	2.7
135.11716	9.8
137.05975	4.9
137.09651	1.9
139.11194	1.1
142.07822	1.7
143.08592	2.7
145.06430	1.4
145.10126	11.2
147.08073	3.6
147.11703	10.7
149.06007	1.6
149.09608	6.8
149.13307	1.5
151.07536	2.1
151.11189	2.6
153.12778	3.3
155.08601	2.8
157.10118	8.5
163.03891	1.4
163.11194	17.2
165.12733	1.8
167.07100	1.3
169.12251	5.1
173.09648	3.4
175.11186	9.5
177.05426	1.2
181.12250	3.5
187.11227	1.1
187.13283	3.2
191.10706	3.1
193.12248	35.2
197.13202	1.3
209.11748	9.1
211.13293	47.2
227.12802	3.8
233.11926	1.3
249.14903	1.4
267.15942	6.0
283.15396	5.2
295.15524	2.6
324.92407	1.2
329.17487	1.2
331.17505	2.5
343.48218	1.1
370.02136	1.0
383.22314	3.8
401.23306	3.4
457.26218	2.0
457.33160	1.1
475.26544	6.7
493.27975	100.0
494.28134	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2797
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.02360	1.4
52.10814	0.9
53.03955	4.5
55.01872	10.0
55.05514	22.1
57.03435	9.5
57.07071	1.1
59.04991	2.7
62.42384	0.7
63.18032	0.7
65.03936	1.2
65.51471	0.8
67.05508	24.5
69.03413	3.6
69.07067	7.1
71.01359	1.2
71.04996	6.3
71.10886	1.8
73.02930	1.1
74.64177	0.8
79.05495	30.7
81.03418	47.0
81.07060	31.5
83.01343	5.7
83.04501	1.1
83.04984	17.2
83.08620	25.2
84.89150	0.8
85.02904	22.6
85.06504	2.3
91.05486	31.3
93.07045	32.8
95.04966	22.9
95.08604	10.3
97.02892	4.7
97.06530	5.7
97.10161	4.6
99.04448	2.2
100.96969	0.8
103.05447	1.6
105.06318	1.2
105.07034	22.1
107.04947	11.1
107.08598	15.2
109.06512	8.9
109.10165	4.4
111.04464	4.9
111.08083	9.0
113.06009	1.8
115.05425	1.4
117.07006	7.5
119.08575	18.3
119.84202	0.8
121.06499	3.8
121.10149	10.9
123.08070	8.0
123.11697	1.6
125.05990	1.3
125.09644	2.4
126.13251	0.9
128.06241	1.0
129.07030	9.7
130.07765	1.7
131.08560	8.3
133.06506	2.3
133.10168	7.8
135.08046	2.4
135.11690	8.7
137.05977	2.8
137.09610	1.8
142.07724	2.2
145.06500	1.4
145.10143	13.0
147.08044	4.1
147.11667	9.2
149.09595	4.6
153.12721	2.0
155.08586	1.3
157.10133	9.4
161.67024	0.9
163.11185	21.2
165.09158	1.1
165.12778	2.5
173.09689	3.4
175.11177	9.3
181.12221	3.7
191.10669	2.2
193.12248	40.1
209.11688	5.9
211.13292	47.3
227.12814	4.9
267.15857	5.5
283.15417	3.9
383.22015	2.3
401.23215	2.1
475.26822	4.7
493.15564	3.8
493.27966	100.0
494.28519	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	493.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	14.4
57.07079	46.3
67.05511	27.8
69.07064	12.0
71.04979	4.6
71.08638	32.2
71.52712	6.9
75.04515	5.1
78.34849	4.3
79.05496	11.9
81.03418	5.9
81.07057	37.5
83.08626	16.3
85.10201	25.2
91.05469	10.0
93.07052	10.0
95.08618	46.1
97.10175	6.3
105.07042	5.8
107.08572	7.6
109.06537	6.2
109.10133	16.9
119.08578	7.0
120.08115	4.7
121.10126	6.6
123.11728	10.1
124.06340	3.8
129.07013	4.2
131.08601	7.5
133.10231	5.1
145.10153	4.5
147.11694	4.2
149.61351	4.7
208.28296	4.1
219.80417	4.6
239.23715	40.0
313.27386	100.0
331.28497	4.1
357.55112	5.4
369.23898	5.3
461.29300	8.3
493.31827	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.05535	0.3
57.03443	0.5
59.04971	0.3
60.04520	0.5
63.02393	0.3
66.98494	0.3
69.03436	3.4
69.07056	0.3
70.06569	0.6
71.05000	0.6
71.51651	0.5
72.08129	0.4
74.67549	0.3
79.05492	1.5
81.03414	1.6
81.07033	0.4
83.04987	0.3
84.04508	0.9
84.08144	1.1
85.02915	2.5
86.09701	0.6
87.04493	0.3
89.03906	2.9
89.07701	0.3
91.05486	1.0
92.06230	0.3
93.07014	0.5
95.04956	0.6
96.04514	0.3
97.02899	7.3
99.04462	1.0
101.02378	0.4
103.05470	0.6
105.07018	0.3
107.04970	5.5
108.08126	0.8
109.02899	0.4
116.07085	0.4
117.03387	4.3
118.06520	0.6
119.04909	0.6
119.07314	0.8
121.06494	1.7
127.03912	1.2
129.05493	0.4
130.04987	0.3
135.04431	14.7
136.07582	2.7
137.04941	0.4
137.05957	2.0
140.07053	0.3
144.06627	0.3
145.02867	9.5
145.04005	0.7
147.04425	0.3
152.07117	0.5
153.05476	5.2
163.03915	100.0
164.04210	0.7
164.07076	8.8
164.08418	0.5
165.07449	0.6
166.08711	0.8
179.58231	0.3
181.04974	1.8
182.08191	1.1
189.21176	0.3
190.08669	0.5
204.06552	2.4
205.04771	0.4
211.09717	1.0
232.09554	0.4
234.07646	0.3
248.05586	0.7
252.08521	0.4
262.07120	0.8
307.08127	1.1
310.09225	0.6
319.16479	0.9
325.09201	14.9
347.16016	2.1
356.09647	0.4
365.17029	0.3
428.16165	0.3
476.15714	0.9
494.16516	8.1
494.21753	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01859	4.1
55.05502	2.1
56.05023	1.0
56.96567	11.2
57.03441	8.9
61.02932	13.5
64.18852	0.9
65.03929	2.5
67.05497	4.2
69.03434	32.4
70.06624	1.3
71.01355	1.1
71.05005	6.0
71.51337	1.2
72.08160	4.7
73.02931	7.1
79.05505	8.2
81.03422	11.1
81.07068	5.3
83.01311	1.6
83.04949	1.5
84.04498	3.6
84.96027	2.8
85.02911	76.9
86.03221	3.4
86.09745	1.0
87.04468	6.6
89.03914	1.9
91.03991	5.7
91.05463	4.4
92.04999	2.9
93.07021	2.0
95.04964	1.5
96.08143	2.7
97.02899	34.3
98.03181	1.2
98.97591	30.7
99.04448	6.0
101.02406	1.1
102.96833	1.1
103.03954	1.2
106.06570	11.9
107.04962	5.1
107.08583	2.9
108.08126	92.6
109.02871	9.4
109.06517	5.3
110.01274	1.5
110.97593	6.5
112.99122	3.0
116.98621	9.3
117.03391	3.0
118.08649	2.7
119.01835	3.0
119.04919	3.1
121.06493	3.1
123.04479	1.2
123.06800	4.2
123.08080	1.3
124.07603	17.8
124.99156	1.7
125.06083	1.0
127.00595	1.1
127.03926	20.6
128.02370	1.6
128.04227	1.8
128.98611	5.2
130.05017	1.8
131.00188	1.9
131.01846	1.1
134.04472	1.4
134.06017	14.1
134.22824	0.9
134.99623	1.9
135.04445	9.5
136.07591	19.6
137.05986	15.4
138.06300	2.3
139.07626	1.0
143.00154	3.6
143.01924	2.2
143.03435	1.1
144.98073	1.4
145.02843	5.4
145.04956	14.6
146.99675	1.8
147.03235	1.5
147.04413	3.9
148.06000	2.1
149.01151	1.8
149.05974	2.4
152.07082	89.2
153.05431	2.5
154.08519	1.3
155.00142	1.5
155.02875	1.4
158.99651	10.6
159.03233	1.4
161.01241	2.5
161.02898	1.9
161.05972	1.2
162.03476	1.0
163.03920	65.2
164.07089	21.7
165.05444	1.5
165.07356	1.3
167.07031	2.3
169.01782	1.5
170.08147	36.5
170.99625	2.4
173.01303	2.3
173.02992	1.7
173.04556	1.8
177.00655	4.1
177.02171	2.1
178.04955	1.1
179.02408	1.1
179.06969	2.7
180.05322	2.2
182.99612	1.7
183.02385	1.4
185.01265	1.4
187.04453	3.4
189.00671	2.1
189.05968	2.1
191.02202	1.5
191.03905	2.6
193.01852	1.8
193.05080	2.7
195.03368	1.5
196.04947	1.9
197.01155	2.6
200.04446	2.5
201.00659	2.9
203.02289	1.6
204.06598	1.9
211.02802	4.2
213.00684	1.4
213.03729	1.1
215.02301	1.5
219.01805	8.6
223.02769	1.8
229.03897	3.0
233.03368	1.7
235.02847	1.4
237.02776	7.0
237.05867	1.2
239.02234	1.6
239.05908	1.3
241.03879	2.2
245.05023	1.5
247.04738	1.1
253.03767	3.1
255.07286	1.7
258.06592	1.2
259.06799	1.4
261.02853	2.2
264.07559	2.5
267.56488	1.1
268.06949	2.1
271.04901	3.0
277.07626	1.9
279.03760	2.1
281.06686	1.3
285.02856	4.4
286.69849	0.9
290.06274	2.1
298.58490	1.3
299.06952	1.5
303.03796	5.0
304.04013	1.7
305.07269	2.3
305.57181	1.9
307.02740	1.1
308.03415	1.1
309.08188	1.2
311.06122	1.3
313.05795	1.3
314.06857	1.2
314.12347	26.7
314.16052	1.3
317.10349	1.3
318.06000	1.5
320.08133	2.5
325.09195	7.4
327.03799	5.6
328.04233	1.5
332.13422	59.7
335.59149	2.0
336.09726	6.3
336.59753	1.7
339.04364	1.4
340.09973	1.4
345.04990	1.0
346.14145	1.6
347.16028	1.5
361.17465	1.7
364.14502	1.4
369.05035	1.4
373.08026	2.3
379.12750	1.3
404.12976	1.2
416.61591	2.9
417.11469	2.9
429.06857	2.4
447.07965	2.8
448.08401	1.3
476.17664	10.1
494.18625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01863	1.1
56.96569	1.6
57.03430	2.6
61.02923	3.7
64.04394	0.8
65.03946	1.1
67.05502	2.2
69.03436	12.4
71.04971	1.4
71.51451	1.2
73.02942	2.2
79.05503	5.6
81.03429	4.1
81.07046	0.9
85.02914	20.3
87.04472	3.3
91.03974	1.6
92.05016	1.1
96.08138	2.5
97.02897	11.6
98.60541	0.9
98.97581	4.8
99.04461	1.6
102.16370	0.9
106.06570	10.8
107.08604	2.7
108.08126	91.9
109.02885	2.6
110.97590	1.4
123.06808	6.0
124.07600	17.7
124.99144	1.1
127.03905	5.3
134.06026	14.6
136.07596	19.3
137.08319	1.0
140.02324	1.0
143.00099	1.0
143.01889	1.3
145.04982	3.3
148.07582	0.9
152.07074	80.5
154.08675	1.6
158.99648	1.7
163.03972	1.0
164.07062	1.3
170.08134	32.9
172.05693	0.9
177.00841	1.4
182.67058	0.8
213.04449	1.4
214.95401	1.2
219.01857	1.6
232.96327	0.8
237.02731	1.5
255.54533	0.9
275.03857	0.8
314.12363	26.4
327.09839	1.0
332.13446	53.1
332.60852	1.5
334.14728	1.1
336.10681	1.5
476.17664	10.7
494.18713	100.0
515.87726	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1634
Annotation	3'-Hydroxy rocagloic acid
Peak:m/z	Relative Intensity
52.97274	1.2
53.26348	1.0
55.05515	2.0
56.96575	1.6
64.30054	1.3
67.05484	3.1
69.03425	2.7
69.07065	1.8
69.67699	7.2
71.05000	1.4
79.05482	4.0
81.03410	3.3
81.07056	4.5
83.22948	1.0
85.02914	2.3
91.05481	3.5
92.79129	1.0
93.07054	3.8
95.04985	2.2
95.08616	4.4
97.06528	1.5
97.10192	1.1
98.97571	3.3
105.07037	2.3
107.04978	2.6
107.08588	3.7
109.06527	4.1
109.10148	2.2
110.97589	1.0
119.08598	2.4
121.06533	2.6
121.10184	2.7
123.08075	1.4
127.03931	1.2
128.98630	1.3
131.08591	2.1
133.10114	1.9
137.05986	2.8
139.11177	1.3
142.15300	1.2
147.04405	2.0
163.11176	1.4
191.14345	1.7
219.01788	3.0
219.13817	2.4
235.70595	1.1
237.02762	3.1
239.09724	1.1
259.15372	2.0
265.11276	3.3
281.10648	2.1
293.17545	2.1
347.32410	1.1
385.23456	1.6
409.15466	12.5
427.16516	2.9
451.17181	11.9
477.28403	1.9
495.16293	100.0
495.28052	5.3
496.17142	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1842
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
60.46840	0.5
67.05500	0.8
69.03447	1.1
71.51820	1.0
76.64611	0.5
79.05512	0.8
81.07035	1.1
85.02891	1.1
89.63291	0.6
91.05455	0.7
93.07092	1.2
95.08598	1.4
97.02915	0.9
105.07027	0.6
107.08622	0.6
109.02908	0.9
109.06496	0.8
109.10151	2.0
113.06065	0.6
119.04991	0.8
121.06505	0.7
121.10234	0.8
127.03873	0.9
128.68867	0.7
133.10144	0.7
135.11732	0.5
137.05986	3.5
147.04431	0.6
149.06020	0.7
151.07512	1.6
163.03882	0.9
173.05753	0.9
175.07556	0.7
194.16231	0.8
211.16992	3.0
212.17299	3.4
229.11995	4.3
245.06363	0.9
247.13097	7.8
256.07312	0.7
265.17209	0.7
275.12762	2.7
289.05402	2.6
333.20615	1.2
339.46298	0.7
391.17422	1.9
402.99954	0.6
409.18338	12.0
451.19449	32.8
477.25162	0.7
495.18417	100.0
496.18546	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.6
55.01863	3.7
55.05271	1.6
55.05515	20.8
57.03439	12.3
65.03939	1.9
67.05508	33.3
69.03432	5.0
69.07059	6.6
69.15326	1.3
69.15726	10.5
70.23015	0.8
71.04999	8.9
78.36063	0.9
79.05498	31.8
81.03421	83.1
81.07059	39.3
83.04976	16.3
83.08623	30.8
85.02907	44.4
85.06535	2.2
87.04493	1.4
87.29689	1.0
91.05485	40.2
93.07052	22.2
95.04973	35.3
95.08605	15.1
97.02908	5.1
97.06553	6.2
97.10183	6.3
99.08076	1.6
102.68433	1.5
105.04497	1.4
105.07037	32.8
107.04951	6.9
107.08599	13.8
109.06519	6.4
109.10165	4.0
111.04452	4.6
111.08090	15.7
113.06010	4.0
115.05459	2.0
117.07022	4.1
119.04944	3.0
119.08584	24.4
119.09378	2.0
121.06548	3.1
121.10149	12.9
122.76663	1.0
123.08073	4.1
123.11723	2.5
125.09634	3.1
127.03946	1.4
127.07565	0.9
127.11217	1.0
127.96684	1.1
128.06216	1.6
129.07010	17.1
131.08568	14.6
133.06516	4.1
133.10143	12.8
135.11679	1.4
137.06000	2.3
137.09621	4.2
142.07799	4.1
143.08554	1.2
145.06592	1.5
145.10117	4.0
147.04420	10.3
147.08041	5.0
147.11687	19.0
149.09615	7.6
157.10143	16.9
159.11746	1.1
163.11258	1.4
165.09114	5.7
165.12718	5.0
175.11201	20.1
189.11201	1.7
193.12251	67.5
211.13293	88.7
233.15375	1.4
259.03668	1.2
259.97214	1.1
267.15884	13.8
285.16971	3.9
326.27664	1.1
359.22290	1.3
367.22726	2.1
385.23718	3.7
402.61789	1.2
431.27826	1.2
451.27133	2.4
459.27100	5.7
477.28543	10.7
478.28094	1.1
495.16599	3.1
495.29559	100.0
496.29791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
54.47697	0.9
55.01871	4.2
55.05511	17.7
57.03440	14.7
59.04998	1.6
65.03937	2.2
67.05144	1.0
67.05508	31.9
69.03426	5.4
69.07073	8.7
71.04993	6.0
79.05495	31.5
81.03423	72.3
81.07059	38.5
81.07539	2.2
83.04989	16.1
83.08622	24.5
85.02911	32.4
85.06546	2.6
87.58193	1.0
91.05486	44.6
93.07050	24.7
95.04969	29.4
95.08611	15.8
97.02895	3.6
97.06540	5.3
97.10174	3.4
99.04509	1.0
103.05477	1.1
105.04519	1.7
105.07040	31.2
107.04971	7.9
107.08601	10.3
109.02872	1.1
109.06525	5.7
109.10152	5.0
111.04456	4.2
111.08090	13.2
113.06001	3.9
115.05479	1.9
117.07062	2.9
119.04931	1.3
119.08590	26.3
121.06534	2.7
121.10149	12.8
123.08085	3.6
123.11716	2.4
124.14690	0.9
125.09662	2.9
127.07683	1.0
128.06180	1.1
129.07011	12.9
131.08572	15.6
133.06519	3.5
133.10141	12.5
135.08083	2.3
135.11711	1.6
137.05960	1.6
137.09616	2.2
141.07034	1.1
142.07799	4.1
145.06590	1.5
145.10149	3.6
147.08078	3.5
147.11700	16.5
149.09656	7.7
149.13289	1.5
151.07629	1.3
155.08559	1.2
157.10136	18.3
163.11206	2.0
165.12798	2.9
175.11197	20.1
193.12251	59.3
211.13298	80.0
215.14310	1.0
233.15590	0.9
267.15891	14.2
285.16873	5.9
315.14468	1.0
359.22241	1.8
385.23819	2.4
403.24677	1.2
429.64636	1.0
433.25946	1.1
451.27139	1.5
459.27661	7.8
477.28485	11.2
495.29584	100.0
496.29700	1.4
512.59283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89221	1.8
55.01859	1.4
55.05515	10.1
57.07077	26.1
67.05509	8.3
68.80980	1.4
69.07069	22.4
70.64310	4.5
71.08633	19.8
76.35889	1.5
79.05464	3.8
81.07057	12.4
83.08615	13.1
85.10183	11.0
89.06015	2.3
91.05476	3.7
93.07042	4.2
95.04969	1.7
95.08606	13.3
97.06556	2.0
97.10152	7.1
99.04442	3.6
105.07028	4.9
107.04954	2.0
107.08601	6.1
109.06512	11.5
109.10154	7.0
111.08129	1.7
111.11710	4.2
113.05937	1.7
119.08590	2.0
121.06517	1.9
121.10139	4.4
123.08060	9.9
123.11701	1.5
125.05997	10.6
125.09667	1.6
125.13245	1.8
127.07556	26.6
131.08482	1.6
133.08699	1.6
133.10106	1.8
135.08084	2.7
137.05971	2.7
137.09616	2.5
139.07545	89.9
147.11630	1.6
149.05971	3.5
149.09639	2.1
151.07515	4.4
151.11153	1.7
163.07596	2.8
165.09108	3.2
167.07031	5.2
175.14803	2.1
176.75206	1.6
177.09111	9.1
178.41100	1.6
191.10689	1.7
252.26659	1.5
301.28857	2.3
319.29834	8.6
347.33209	8.9
373.31052	3.5
399.36359	2.9
403.35861	2.4
417.37146	8.7
445.36826	34.7
459.38327	2.9
468.61874	1.8
477.39423	100.0
495.32477	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.5
53.03950	3.0
54.16269	0.6
64.00549	0.4
65.08125	0.5
69.03432	5.9
69.98643	0.4
70.08078	2.3
71.05006	0.7
76.88607	0.4
78.03455	10.7
79.05480	1.0
80.05019	1.7
81.03420	15.5
81.07068	0.5
83.01348	0.5
85.02913	3.9
91.05486	7.6
93.07048	1.9
95.04965	0.7
96.04488	0.8
97.02888	3.9
99.04465	2.1
103.05473	1.9
106.02920	38.8
109.02882	12.5
111.37051	0.4
115.75095	0.5
119.04119	1.0
119.04945	12.0
121.06532	6.6
123.04424	0.5
124.03959	100.0
125.04263	0.7
126.95601	0.5
127.03920	5.1
137.05981	1.2
145.04916	0.7
147.03253	0.8
147.04408	11.8
149.05954	7.2
165.05501	5.4
167.07065	0.7
175.03883	2.3
183.06552	0.5
193.04959	7.6
196.06027	0.6
211.06015	3.9
226.07071	0.9
232.06096	0.7
250.07127	21.3
268.08167	56.2
286.09241	14.7
376.61490	0.5
418.88452	0.5
460.12546	0.7
478.13455	12.3
492.35007	0.5
496.14474	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	496.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.2
51.02382	0.8
53.03714	0.2
53.03948	2.4
55.01868	0.9
57.03440	0.9
62.73697	0.1
65.03941	0.4
67.05499	0.6
69.03431	6.2
71.01339	0.4
71.04985	0.8
73.02907	0.7
78.03455	10.0
79.03831	0.2
79.04247	0.3
79.05486	1.2
80.05021	1.8
81.03419	15.0
81.07063	0.5
85.02908	4.9
91.05483	7.7
93.07052	2.7
95.04975	0.7
96.04493	3.5
97.02892	4.6
99.04459	2.7
103.05471	1.6
105.07032	0.2
106.02916	36.9
107.08603	0.2
109.02883	9.9
109.06516	0.4
119.04944	11.9
121.06508	7.6
123.04427	0.4
124.03955	100.0
125.04259	0.5
127.03916	5.0
131.04922	0.7
131.06990	0.2
137.05977	1.6
145.04941	0.3
147.04413	10.6
149.05980	6.1
149.07141	0.3
151.03870	0.2
152.07040	0.3
153.07425	0.2
162.05479	0.2
163.03883	0.2
164.07036	0.4
165.04178	0.3
165.05495	5.2
166.04965	0.9
167.05724	0.2
167.07004	1.1
175.03899	2.0
183.06514	0.6
193.04971	6.7
196.06059	0.6
208.05975	0.4
211.06052	4.1
226.07025	0.3
229.07114	0.5
232.06071	1.4
250.07111	24.6
268.08160	58.7
269.08505	0.6
286.09219	13.6
287.09695	0.3
303.13245	0.2
313.86511	0.2
333.14459	0.2
334.14767	0.3
448.17572	0.2
452.15546	0.3
460.12256	0.8
478.13470	12.1
496.14447	5.5
496.20627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	0.6
53.03941	1.0
55.01862	1.0
57.03420	0.7
63.87120	0.5
65.03955	0.6
67.05492	3.8
69.03419	2.2
71.01343	1.7
71.18745	0.9
73.02905	1.2
73.10244	0.5
79.05496	5.3
81.03419	1.1
81.07048	2.0
83.04998	0.6
85.02900	4.6
91.05479	13.3
93.07038	8.5
95.04954	2.0
97.02865	2.1
97.06514	1.2
103.05469	3.2
105.03398	1.3
107.04958	0.8
109.02871	1.6
109.06520	2.4
115.03942	1.3
115.26814	0.5
118.76319	0.6
119.04134	0.8
119.04949	14.0
121.05678	1.0
121.06508	14.9
123.04421	4.6
127.03911	1.1
135.04379	0.6
137.04898	0.9
137.05975	17.2
139.07549	2.2
141.05507	0.6
145.04955	1.1
147.04422	12.6
149.05978	8.7
153.05472	1.2
165.05476	10.6
167.07047	15.8
170.34914	0.5
175.03923	2.0
183.06564	3.2
192.63620	0.6
193.04968	36.6
211.06012	100.0
299.07599	6.0
317.08698	6.0
331.42752	0.7
355.10428	0.8
409.84525	0.5
417.43829	0.6
453.95535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05507	0.4
56.05038	1.1
57.03439	0.4
57.07080	2.7
58.06579	1.4
59.07379	0.4
60.08167	16.5
67.05489	0.5
68.95705	0.2
69.07068	0.5
69.25084	1.1
69.25507	0.8
70.44588	0.2
71.07376	6.0
71.08636	2.2
78.91473	0.2
81.07053	0.9
83.08615	0.7
85.10197	1.1
86.09711	50.4
89.32648	0.2
95.08618	1.3
97.10188	0.2
98.98471	3.0
104.10750	100.0
105.11079	0.2
109.10153	0.4
109.80041	0.2
114.16279	0.2
123.11700	0.4
125.00011	27.8
163.01596	0.6
181.02631	0.3
184.07350	98.4
228.78554	0.2
258.11130	1.0
313.27469	2.2
320.18195	0.2
350.89920	0.2
419.25500	0.3
478.33008	9.4
484.12314	0.2
496.34003	38.5
497.33954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.34
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99492	0.2
55.05508	0.4
56.05029	0.3
57.07060	0.8
58.06602	0.6
60.07891	0.5
60.08167	6.1
67.05500	0.6
69.07054	0.4
71.07385	3.1
71.08620	0.6
74.78421	0.2
79.05499	0.3
81.07029	0.8
83.08622	0.3
86.09711	27.9
93.07042	0.4
95.08570	0.7
98.98482	2.9
104.10758	2.3
109.10147	0.4
121.10164	0.3
125.00011	19.8
133.10204	0.3
165.22847	0.3
184.07347	100.0
185.07753	0.2
189.16415	0.4
203.17921	0.4
234.80951	0.3
318.69870	0.3
478.33249	1.3
496.33667	3.9
503.68591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20770	3.1
53.03950	8.5
55.01874	8.4
56.41931	3.0
57.03436	6.9
60.25236	3.1
61.02919	4.9
67.05502	5.7
68.99797	6.5
69.03439	53.3
70.84414	6.9
71.01351	5.4
71.04979	8.1
79.05520	5.3
81.03427	55.1
83.01336	5.5
83.04982	10.1
85.02914	88.2
87.00831	39.0
91.05489	3.3
95.04981	16.9
97.02913	38.5
99.04459	15.2
101.02391	6.5
103.03939	12.0
105.01879	32.2
105.06982	5.0
109.02239	5.6
109.02896	63.6
109.06540	3.7
111.04440	10.7
119.04954	3.3
123.04449	12.9
125.02345	9.4
127.03928	100.0
129.01886	7.2
137.06021	5.8
145.04993	19.0
147.02962	4.3
147.04367	3.8
151.03902	18.9
159.02904	3.9
163.03711	3.6
165.05453	6.4
169.04968	23.4
171.02907	9.7
173.09671	4.6
177.05536	5.7
181.05038	4.5
187.06171	15.4
187.07523	3.6
189.04004	16.1
189.05444	4.0
193.05005	11.9
207.06573	3.5
209.38763	4.2
211.05995	6.3
213.03920	9.4
217.04922	5.1
231.04979	17.9
231.13808	7.2
235.06094	8.0
249.14938	18.6
253.07118	3.7
255.05034	11.1
273.06042	63.1
315.07159	7.2
330.98624	3.4
339.07138	5.1
357.08121	5.5
443.08456	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	497.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21073	0.8
57.39552	0.7
67.05486	0.8
69.03418	2.4
70.95503	1.7
71.04996	0.8
75.82198	0.7
79.05503	1.5
81.03419	2.1
81.07040	2.4
85.02911	2.8
89.03922	5.2
91.05451	0.9
93.07056	1.2
95.08618	1.9
97.02888	0.9
97.06536	0.9
103.05454	0.9
105.07044	1.4
107.08569	1.0
109.02917	1.5
109.10167	1.1
117.03392	11.0
121.10152	1.9
123.11676	0.9
125.09607	1.0
127.03922	0.8
135.04463	0.9
137.05986	2.0
137.45540	0.7
138.32144	0.8
145.02866	25.0
146.03308	0.9
147.04437	1.5
149.06001	5.3
155.10696	1.0
156.11063	0.9
163.03940	2.6
164.04298	2.1
168.33090	0.7
177.05487	55.5
183.22191	0.8
195.06590	1.0
228.07851	0.9
231.13786	1.4
245.06444	0.8
249.14677	3.4
251.88335	0.8
277.14139	2.5
289.05237	2.3
321.09607	1.4
339.10831	3.0
393.18951	1.6
411.19943	12.9
435.20148	1.3
453.21002	31.4
479.18433	0.9
497.19968	100.0
498.21048	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02386	0.3
69.03441	0.8
69.67654	0.6
69.68056	1.7
78.04706	0.3
81.03410	1.6
85.02888	0.3
89.03919	5.2
95.08670	0.4
98.20753	0.4
103.05450	0.4
105.07038	0.7
106.04126	0.4
109.02868	0.7
114.20541	0.4
117.03386	17.9
123.08066	0.4
134.03648	1.2
135.04402	0.5
141.09084	0.8
145.02850	48.0
146.89545	0.3
149.05978	6.6
172.92046	0.3
177.05472	100.0
178.05840	1.0
186.05464	0.7
195.06541	1.1
251.30884	0.4
321.09656	2.8
339.10706	6.3
345.38135	0.4
395.76010	0.4
480.78824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
59.24640	0.3
60.11872	0.4
63.02365	0.6
69.03429	0.7
69.07036	0.4
71.16298	0.6
78.04705	0.4
79.05515	0.6
81.03426	2.6
81.07072	0.4
82.80334	0.4
85.02878	0.8
89.03922	5.0
91.05489	0.7
93.07024	0.4
95.08597	0.7
97.02889	0.5
99.04469	0.4
105.06989	0.8
106.04179	0.5
109.02856	0.9
117.03387	17.8
127.03879	0.7
134.03645	1.4
135.04445	1.2
141.09114	0.6
145.02850	47.7
146.03334	0.4
149.05991	6.6
163.03928	2.5
177.05479	100.0
178.05774	0.8
186.05588	1.0
195.06522	1.1
247.13383	0.3
321.09662	2.8
339.10794	6.3
453.21072	1.6
487.91516	0.5
497.19751	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	497.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05513	9.2
57.03437	2.7
57.07073	2.1
57.64199	0.7
59.05000	2.0
67.05506	13.2
69.03436	5.1
69.07087	4.1
69.07410	0.8
70.50926	0.8
71.04996	6.4
71.52071	1.1
72.64994	0.8
75.04488	1.5
78.04749	0.9
79.05505	5.7
81.03426	5.8
81.07063	64.5
83.04996	1.9
83.08610	2.0
85.02916	9.0
85.06559	4.9
89.03918	5.9
89.06059	1.6
91.05489	1.9
93.07051	7.9
95.04985	4.0
95.08612	14.2
97.02898	3.2
97.06527	0.9
97.10170	8.3
99.04460	1.3
99.08075	0.9
103.00239	0.8
105.07037	3.3
106.04177	1.0
107.08595	4.4
109.02919	5.8
109.06525	4.0
109.10144	1.7
111.08082	2.3
113.06034	3.0
115.59632	0.8
117.03389	19.6
117.04166	1.7
121.06568	0.9
121.10181	0.9
123.08105	1.7
123.11714	49.6
127.03924	8.5
131.07062	3.8
133.10156	2.4
134.03639	1.8
135.04401	1.2
135.11717	1.4
137.05971	1.3
141.12759	2.3
145.02859	48.3
147.04607	0.8
147.11662	0.9
149.05981	7.7
149.08098	2.4
151.11171	10.5
163.03915	1.9
167.09171	1.6
169.12242	35.7
177.05484	100.0
181.08553	1.3
186.05516	1.2
187.13290	15.9
195.06575	1.3
229.14432	1.2
231.22702	0.9
277.14365	2.4
295.15427	7.9
301.15866	0.9
313.16449	4.1
321.09634	2.8
331.13748	1.7
331.17529	23.1
339.10660	5.7
497.19922	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38820	3.9
55.05502	15.5
57.07075	9.5
67.05508	18.8
69.07072	17.9
69.14872	40.1
79.05479	16.6
81.07066	43.5
83.08616	10.8
91.05458	15.8
93.07044	44.2
95.08615	84.1
105.07040	48.1
107.08610	66.9
109.06483	4.4
109.10170	42.3
111.08047	3.6
117.07002	7.4
119.08593	100.0
121.10164	40.0
123.11668	15.3
129.06972	5.5
131.08565	22.7
133.10138	72.6
135.11700	33.5
137.13245	9.7
143.08534	8.3
145.10139	35.9
147.11682	42.4
149.13216	11.8
153.09134	4.1
155.08459	3.9
157.10127	7.5
159.11720	42.1
161.13307	26.3
163.07579	5.0
163.14861	18.1
165.09137	3.9
171.11751	4.8
173.13287	26.1
175.14822	19.0
177.09091	14.5
177.16405	12.9
185.13345	5.9
187.14877	21.4
189.16380	72.9
191.17906	28.6
201.16396	71.1
203.17970	58.2
205.15898	7.8
213.16451	7.0
215.17938	22.5
217.19580	4.0
227.17987	5.1
229.19516	15.0
235.17007	4.7
238.46674	3.8
241.19443	9.5
243.21132	10.5
247.16948	51.5
249.18442	4.6
255.21028	7.5
287.20029	7.5
295.24109	4.3
301.21640	6.7
391.33548	14.6
430.29758	3.7
437.34198	57.3
451.35583	9.9
492.90775	3.8
497.36426	21.7
499.29828	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	497.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	11.0
57.07061	3.2
67.05508	26.0
69.07066	14.7
70.49071	7.0
71.84215	3.0
79.05482	15.5
81.07054	45.8
81.52741	2.3
83.08598	10.5
91.05484	20.2
93.07038	37.6
95.08605	89.6
95.49321	2.5
97.10156	5.1
100.05470	2.3
105.07027	56.7
107.08593	55.4
109.10152	64.3
111.28175	2.4
117.06991	4.0
119.08585	89.2
121.09344	3.5
121.10151	40.9
123.11698	14.7
131.08560	20.3
133.10129	68.6
135.11694	24.1
137.13264	5.2
143.08583	4.6
145.10107	38.2
147.11687	52.9
149.13272	15.8
153.09090	8.2
157.10123	10.8
157.99641	2.6
159.11697	36.8
161.13231	29.1
163.07513	4.1
163.14833	13.6
164.22864	2.4
166.53871	2.6
167.10760	3.3
171.11673	8.1
172.12347	3.1
173.13260	24.8
175.14844	29.0
176.33266	2.7
177.16399	24.5
185.13274	6.1
187.14812	25.9
189.16380	100.0
191.17958	11.9
197.13069	3.8
199.14821	7.4
201.16373	50.2
203.17953	95.5
205.19510	6.3
207.17418	3.0
210.50879	2.5
211.14865	3.0
213.16360	7.9
215.17937	23.4
217.19432	8.2
225.16441	2.6
227.18001	4.9
229.19534	4.6
230.39932	2.4
231.17336	2.7
235.16891	12.6
241.19421	3.5
243.21008	7.7
247.16957	24.9
249.18550	8.4
255.21031	5.6
261.18463	11.6
261.23831	2.5
267.21014	4.6
281.22357	3.0
295.24149	5.4
341.25308	2.6
355.26358	3.9
391.33636	27.4
437.34210	59.0
451.35696	30.4
497.36664	14.0
520.16083	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.6
57.07074	9.1
57.19894	4.5
67.05491	15.1
68.60847	4.6
69.07063	17.9
69.25888	44.5
69.26171	3.6
79.05506	6.4
81.07053	41.1
83.08598	9.5
89.06024	24.1
89.27364	4.5
91.05479	18.7
93.07040	37.1
95.08617	79.2
98.20772	7.2
102.30722	4.9
105.07029	44.3
107.08597	67.5
109.10158	34.0
111.05590	4.3
113.95158	4.8
117.06974	5.0
119.08585	100.0
120.33127	4.5
121.10137	38.4
123.11676	12.1
131.08559	17.3
133.08592	12.8
133.10136	61.7
135.11687	40.8
135.36942	4.4
143.08443	5.2
145.10103	28.4
147.11700	51.0
149.13284	13.6
153.09119	6.2
159.11710	33.4
161.13228	24.8
163.07578	6.7
163.14792	20.9
168.21063	5.0
171.11716	11.5
173.13322	24.7
175.14806	18.9
177.09117	9.7
177.16377	15.7
185.13248	10.6
187.14832	18.2
189.16391	78.5
191.17851	22.6
201.16423	65.6
203.17969	79.1
213.16368	7.4
213.98940	4.5
215.17978	26.4
217.19534	11.7
229.15907	5.2
229.19559	16.6
241.19621	11.7
243.21144	14.6
247.16922	69.7
255.21019	11.6
275.19894	5.8
283.17487	11.5
284.17889	9.8
287.20044	10.0
301.21600	9.2
391.33621	16.5
437.34296	69.7
451.35614	11.0
497.36212	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	498.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42104	0.9
53.03940	4.3
55.01872	1.7
55.05502	2.4
55.12834	1.0
57.03449	4.9
67.05511	1.7
69.03436	14.7
70.29617	3.7
71.05012	1.2
75.04473	5.5
79.05495	16.6
81.03424	11.6
81.07046	5.7
83.04975	1.3
85.02912	8.8
87.04476	1.7
91.05486	12.0
93.07048	90.9
95.04958	3.7
95.08607	4.2
97.02899	9.0
99.04453	1.9
99.81743	1.3
100.75108	1.0
105.01807	1.4
105.07040	9.1
107.04939	1.7
107.08598	13.1
107.30280	1.0
109.02890	4.6
109.10157	1.3
111.04429	1.5
111.08084	4.2
119.08586	33.2
121.06517	2.2
121.10153	100.0
121.15167	1.2
123.08116	1.7
123.11725	1.2
124.19923	1.0
125.06023	1.6
127.03941	6.4
129.05467	3.8
129.07039	1.9
131.08575	5.5
133.10071	1.1
135.08105	1.2
137.06021	1.1
139.11179	4.1
145.04950	2.0
149.08434	2.2
149.09621	26.8
159.08096	1.7
161.05975	1.4
163.11206	1.6
165.05522	1.7
167.10684	33.1
171.08125	1.5
177.05469	1.3
179.13875	1.0
187.11110	1.2
194.58847	1.0
199.11200	2.8
215.07195	1.1
227.14336	1.9
237.12816	1.0
243.31357	1.0
245.08139	1.2
255.13667	1.5
264.50671	1.0
273.14746	4.9
275.12817	1.4
283.13284	3.4
293.13824	11.0
301.14288	3.5
311.14893	21.7
318.64011	1.2
329.16071	1.5
373.14130	1.2
427.17517	1.2
445.18256	1.2
498.19604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05514	7.4
56.24965	1.1
57.03442	11.4
57.07059	1.7
58.06598	4.7
59.07383	1.9
60.08154	2.4
64.26006	1.2
65.03947	1.5
67.05510	46.8
69.07071	16.9
70.10635	4.6
71.04987	3.7
73.02922	1.8
75.40849	1.1
79.05496	24.8
81.07061	58.3
83.04994	4.3
83.08623	12.1
84.42101	1.2
85.06552	3.1
87.04476	1.4
89.06018	1.5
91.05477	14.1
93.07048	48.3
95.04988	2.9
95.08617	16.9
97.06540	11.8
97.10155	1.5
98.21472	1.3
99.08091	2.2
103.19796	1.1
104.10729	1.4
105.04554	1.1
105.07041	6.6
105.11092	1.3
107.08603	25.6
109.06528	2.2
109.10171	3.5
111.08082	5.0
117.07013	7.7
121.10156	16.6
121.13129	1.1
123.11686	1.8
131.08551	6.4
133.10130	6.7
135.11696	5.8
137.06085	1.3
144.10297	1.2
149.13283	25.2
151.53348	1.2
159.11681	12.4
177.12698	6.6
184.07388	1.8
195.13843	10.5
213.14883	1.4
236.14960	14.7
237.85144	1.2
254.18419	1.1
257.00134	1.1
264.24680	1.2
269.14502	2.3
269.17499	79.4
463.30576	100.0
464.30798	1.5
480.36859	4.1
484.84509	1.4
498.17160	1.6
498.38150	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51535	0.5
54.70831	0.5
56.96554	1.6
57.03447	0.6
58.99865	1.0
69.03430	1.4
70.19081	2.3
73.02932	0.6
77.00887	0.6
81.03402	0.6
82.99870	2.1
85.01441	1.0
85.02895	2.9
86.11468	0.6
86.99342	0.6
89.00889	0.8
94.99342	0.5
94.99859	1.2
97.02886	1.2
98.21466	0.6
98.97589	6.4
101.00883	13.7
103.02458	1.6
108.34064	0.7
109.02910	0.8
110.97567	1.3
112.99132	1.6
113.00873	3.8
115.02411	1.1
116.98627	2.3
119.01928	16.9
121.03513	0.6
127.02422	10.0
127.03855	1.0
128.98582	1.1
129.00377	0.6
129.03987	1.3
131.00159	1.2
131.01907	10.4
133.03471	2.5
137.02989	0.9
139.02405	3.5
141.04054	0.5
143.00200	1.0
143.01901	22.2
145.03467	33.0
147.01370	2.2
149.01270	1.0
149.02954	1.5
155.01898	25.8
157.03477	15.8
158.99677	2.7
159.05090	0.8
161.02968	16.3
163.04521	2.3
164.07103	0.7
167.01903	10.2
169.03465	4.3
170.99817	1.1
171.01387	5.9
171.05043	4.1
173.01436	1.3
173.02963	32.3
175.04495	3.7
177.00752	1.1
179.01849	4.2
181.03468	1.1
183.01434	1.1
183.05057	1.0
185.02960	34.1
187.04517	3.5
189.00752	1.3
189.02458	4.2
189.06065	0.8
191.02179	1.6
191.03911	1.2
193.03546	0.6
197.02974	12.1
199.00887	5.1
199.04541	3.3
201.00693	1.3
201.02492	1.0
203.02316	1.0
203.04001	13.3
204.06615	0.8
205.05569	1.8
209.03052	3.2
211.00792	1.2
211.04514	1.3
215.04010	7.5
217.01949	39.6
217.05345	1.4
219.01810	2.4
219.07196	0.6
221.03236	5.9
221.05080	15.3
223.00966	0.6
227.04025	7.6
229.01965	7.0
229.05540	1.4
233.05048	0.6
235.03004	9.9
237.02768	3.4
239.04207	2.7
239.06306	6.1
245.05083	71.2
246.05296	1.3
247.02922	8.1
247.06619	2.4
253.04250	0.8
257.05084	10.5
259.03043	1.0
259.06595	0.9
261.02814	1.4
263.06165	14.4
265.04050	0.7
273.08261	3.7
275.06119	25.2
277.04025	13.8
277.07196	1.0
279.03833	1.3
291.09222	3.2
293.07199	2.1
295.08542	0.7
301.04129	7.6
301.07364	1.1
305.07205	10.8
307.08875	3.6
319.05072	19.7
319.08731	5.9
321.10150	1.5
327.27332	0.7
328.10559	1.4
335.08255	3.4
337.06113	23.1
337.09372	1.3
349.09674	1.6
353.07596	0.9
365.09384	11.7
379.06662	0.8
383.10373	4.4
394.53653	0.6
431.89056	0.6
439.13043	1.3
481.09909	2.0
499.14215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23307	0.7
69.03423	1.8
69.67753	4.1
72.16290	0.6
76.33362	0.6
79.05485	2.6
81.03427	3.3
81.07060	1.2
85.02900	1.3
89.03924	3.8
94.20238	0.6
104.03091	0.6
107.08585	4.4
109.02856	1.4
116.48450	0.7
117.03392	12.8
134.03648	0.9
143.10716	1.1
145.02853	45.1
149.06000	5.6
163.03946	0.7
177.05481	100.0
195.06514	1.7
233.15274	0.6
321.09726	2.8
339.10767	10.8
351.87900	0.8
453.34317	1.2
454.34595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99656	1.2
55.05507	2.0
67.05508	1.8
69.03442	3.0
69.07055	1.1
70.06597	1.2
79.05487	4.7
81.03413	3.3
81.07063	7.1
83.08606	2.1
84.08166	1.4
85.02899	3.1
85.06586	1.2
89.03912	4.6
93.07066	1.5
95.08601	1.7
97.02875	1.8
100.07652	1.1
100.11253	1.3
100.66747	1.1
105.07056	2.0
107.08602	6.9
109.02877	1.8
117.03387	15.2
119.08634	2.0
123.11702	1.8
124.11948	1.3
127.03879	1.5
128.10727	3.3
134.03682	1.4
137.05959	1.4
137.09624	1.6
143.10680	1.4
145.02858	44.0
147.04459	1.4
149.06003	6.3
169.12309	1.4
177.05486	100.0
178.05780	3.7
179.05952	1.6
182.15337	2.6
191.10645	2.2
195.06493	2.1
200.57071	1.2
210.14914	1.9
233.15334	2.9
321.09793	1.9
332.17404	1.4
337.10590	2.4
339.10822	6.3
481.34076	2.8
499.21454	3.4
499.34744	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	499.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01888	0.6
55.05516	4.1
57.03436	0.9
57.07080	2.6
57.81719	0.4
59.77136	0.5
67.05513	3.4
67.18945	0.4
68.34407	0.4
69.03429	3.5
69.07070	1.0
69.98763	1.2
70.06587	1.4
71.05006	2.9
72.38240	0.4
75.73178	0.4
79.05519	1.1
81.03437	2.2
81.07070	1.6
83.04985	6.5
83.08681	0.6
84.44583	0.5
85.02914	3.7
85.06548	100.0
91.05475	1.6
93.07043	3.6
95.04963	0.5
95.08615	2.2
97.02905	2.8
97.06532	8.3
98.21506	0.6
99.04470	1.6
103.07598	4.1
105.07069	0.8
107.08604	1.6
109.02880	2.9
109.06522	0.9
109.10160	5.3
111.08044	0.5
113.06004	0.6
117.05453	0.5
119.04981	1.0
121.10149	3.1
123.08083	2.7
127.03930	3.6
131.08597	1.3
135.04544	0.5
137.06024	1.4
137.09637	1.3
139.11198	10.3
145.04922	1.0
147.04446	3.3
149.09630	4.5
153.07639	0.7
155.10692	1.4
163.03966	1.7
167.10693	41.3
173.13239	0.6
183.10278	0.5
203.12814	3.1
221.46773	0.5
227.09323	0.6
231.08418	0.5
245.10315	1.9
245.13847	0.9
281.84442	0.5
289.05600	0.5
293.13992	0.7
311.14853	4.1
319.17642	1.0
329.15948	5.8
341.64990	0.5
347.16989	8.8
499.14612	0.6
499.23169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.05516	26.3
57.03442	23.1
57.07074	7.0
60.08163	3.3
61.02621	2.7
61.02932	51.9
64.72471	2.6
67.05508	71.0
69.03433	34.2
69.07072	34.8
71.01374	4.2
71.04984	5.5
71.52823	3.0
73.02917	26.8
76.45618	2.4
77.66687	2.3
79.05495	21.9
81.02982	3.1
81.03419	23.5
81.06603	4.2
81.07059	81.0
83.04970	5.4
83.08614	18.3
85.02436	4.0
85.02911	54.3
86.09692	11.6
87.10035	4.9
91.03500	3.0
91.03964	30.9
91.04931	3.4
91.05462	19.0
93.07048	31.0
95.04984	3.9
95.08611	69.0
97.02309	3.2
97.02898	53.5
97.06540	6.4
97.10194	13.5
99.04438	10.2
99.47842	3.0
101.02376	12.9
103.03916	6.1
104.10729	20.6
105.07032	19.1
105.11075	8.1
107.08611	15.2
109.02895	12.6
109.10141	26.7
111.04467	4.5
115.03928	5.0
117.07062	3.0
117.23881	2.3
119.08596	15.8
121.10125	11.9
123.11724	13.9
125.09633	4.6
127.03905	22.7
129.05469	5.8
131.08571	6.5
133.10156	13.1
135.11673	11.4
137.06030	2.4
137.13281	6.5
145.04941	10.3
145.10086	4.1
147.11641	9.4
149.13234	4.7
151.11150	2.5
161.13225	8.2
163.14833	7.2
173.09743	2.6
173.13235	2.6
175.14850	7.1
177.16408	2.8
183.06567	5.8
184.07329	11.2
185.07741	5.8
186.07765	7.5
187.14804	3.4
189.16425	5.5
201.07619	4.1
213.29376	2.6
245.22661	10.4
263.23758	22.4
305.24811	2.6
337.23337	4.9
337.27368	100.0
365.26672	6.5
371.25647	5.4
445.29919	3.8
460.80115	3.0
464.31256	3.4
481.32245	7.9
499.33151	36.6
527.90430	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	499.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.1
55.01875	4.1
55.05517	26.9
57.03442	26.3
57.07080	5.7
61.02929	57.9
65.03947	1.9
67.05508	76.1
69.03432	30.6
69.07068	29.5
69.51674	2.0
71.01364	5.2
71.05010	4.4
71.08626	3.8
73.02920	28.8
79.05494	29.9
81.03423	20.6
81.07063	87.5
83.04996	6.5
83.08633	20.7
85.02911	57.9
85.06528	2.6
86.06333	2.0
87.04453	2.6
91.03961	31.7
91.05479	23.1
93.07048	36.9
95.04980	7.1
95.08612	67.8
97.02891	50.3
97.06507	7.2
97.10151	12.4
99.04444	11.2
99.08080	3.6
101.02374	14.6
103.03957	9.1
105.07024	18.4
107.08595	23.3
109.02882	8.3
109.06549	3.2
109.10159	30.3
111.08144	3.2
111.11716	3.8
115.03947	6.1
117.05479	2.3
119.08571	13.0
121.06455	2.5
121.10143	24.1
123.08059	2.8
123.11713	12.6
127.03925	22.4
129.05504	4.8
129.07024	3.3
131.08572	7.3
133.10107	11.5
135.11699	9.9
137.09636	4.3
137.13275	3.7
145.04955	8.5
145.10080	3.6
147.11685	9.4
149.13275	8.8
151.14851	5.0
151.71533	2.6
153.12767	2.8
159.06572	3.0
159.11768	4.2
161.13277	9.3
163.11143	2.7
163.14857	6.0
165.12747	3.7
171.11684	2.2
173.13358	4.0
175.14864	6.4
177.16438	3.1
183.06496	5.3
187.11360	2.5
187.14899	2.8
189.16322	2.8
199.38443	2.4
201.07587	2.8
243.87398	2.7
245.22684	12.2
261.22275	2.9
263.23734	22.3
275.23743	3.0
287.16495	2.3
303.23108	2.8
305.24542	4.1
329.24713	2.2
337.27386	100.0
341.42038	2.2
347.25851	3.8
353.24530	4.2
365.26810	3.5
371.25824	8.2
407.28214	2.3
445.29376	4.4
463.30609	5.0
464.31064	3.1
481.31726	10.4
487.43179	2.3
499.32645	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	499.3785
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
50.99726	1.8
55.05508	5.3
57.07067	3.3
59.93050	2.1
67.05502	6.6
69.07066	8.4
79.05484	4.7
81.07058	11.7
83.08602	5.2
91.05473	4.9
93.07048	14.9
95.08611	33.0
97.10146	3.2
105.07050	9.3
107.08593	24.3
109.10160	20.1
113.37682	1.7
119.08589	24.3
121.10148	24.2
123.11679	6.3
133.10152	19.7
135.11708	18.7
137.13255	1.9
142.16463	2.0
145.10155	2.7
147.11696	14.4
149.13255	8.0
153.09097	3.1
159.11749	1.9
161.13252	6.3
163.14859	11.1
167.10742	2.3
175.14816	4.6
177.16371	5.3
183.88750	1.9
187.14673	2.2
189.16333	17.6
191.17952	100.0
203.17952	44.7
205.19530	9.2
217.19501	4.5
221.19101	3.2
229.19418	2.3
235.16995	2.9
249.18517	16.3
261.18552	1.9
393.35077	2.7
439.35904	16.4
445.22726	2.1
468.49634	1.9
499.49060	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	500.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75000	0.3
55.01873	0.4
57.03420	0.4
69.03421	1.0
69.45801	0.3
71.52103	0.5
79.05482	0.4
81.03422	0.6
81.07072	0.5
85.02912	3.2
89.33183	0.3
91.05467	0.8
93.03350	0.4
94.04189	1.7
95.04972	0.4
97.02910	0.8
97.89962	0.3
103.05455	0.5
107.04949	0.6
109.32802	0.3
119.04959	0.8
120.65112	0.3
121.06532	1.6
122.03658	4.1
123.04444	0.3
127.03896	0.4
137.05981	100.0
145.04967	1.1
147.04442	1.0
149.06000	4.8
151.07602	2.3
153.05963	0.4
153.07005	2.4
163.03922	0.7
163.07455	0.4
164.07076	0.6
167.07007	0.6
167.08545	0.5
175.07516	0.4
179.07077	1.6
181.06487	6.0
182.07362	0.7
184.68936	0.3
195.08058	1.1
198.06728	0.7
209.06064	1.6
213.09100	5.3
223.07524	0.6
225.09108	0.7
226.06378	0.3
241.08582	6.3
242.09410	0.5
253.08640	0.9
267.56067	0.3
273.11215	30.8
285.11304	1.5
303.12256	1.5
406.34503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	0.5
71.51801	0.2
77.03911	0.2
79.05501	0.3
81.03446	0.3
81.07074	0.2
85.02929	1.5
91.05470	0.5
91.43285	0.2
94.04188	1.4
97.02885	0.6
98.97585	0.2
107.04971	0.3
111.04513	0.2
121.06559	0.5
122.03661	3.6
123.08041	0.3
135.04527	0.3
137.05988	100.0
138.06311	0.3
141.09137	0.4
145.04930	0.5
149.05994	1.0
151.07555	0.7
153.07025	0.7
160.04671	0.2
161.06003	0.3
163.03957	0.3
164.07013	0.4
179.07094	1.6
181.06471	1.5
209.06071	0.3
213.09082	1.3
241.08588	1.6
253.08643	0.7
273.11237	5.6
285.11270	2.4
303.12186	1.9
391.10510	0.2
435.79852	0.2
456.15720	0.3
500.16403	0.3
528.95410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.05517	10.7
57.03429	1.2
57.07083	5.2
59.04985	1.3
66.50420	0.8
67.05180	1.5
67.05511	19.4
69.03437	6.5
69.07073	5.8
69.31390	7.9
71.05000	10.0
79.05492	7.1
81.03423	8.9
81.07066	100.0
83.08608	2.6
85.02917	11.1
85.06543	6.6
89.06048	1.4
91.05471	2.2
93.07055	10.0
93.51711	0.9
95.05001	5.0
95.08611	20.5
97.02937	4.3
97.10173	11.3
99.04445	2.4
99.08082	2.7
105.07027	1.9
107.08608	4.7
109.02889	13.0
109.06516	3.0
109.10169	3.3
111.08077	3.7
121.10099	1.2
123.08070	1.3
123.11718	85.3
127.03930	17.2
131.08632	1.3
133.10164	4.5
135.04430	9.2
136.06195	1.3
141.12730	3.2
142.26215	0.9
145.04955	2.4
151.11191	19.6
161.05981	1.3
169.12254	61.1
175.07596	4.4
187.13313	29.4
211.13370	1.2
219.08139	1.4
229.14328	3.9
231.08102	1.6
231.13741	1.3
249.14870	2.7
277.14487	5.2
295.15424	18.2
302.25415	1.1
309.11179	3.2
313.16412	8.7
321.11249	3.6
331.17538	47.2
332.18027	1.1
500.31750	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.05510	3.3
67.05496	10.6
69.03420	8.1
69.07057	4.4
69.45638	5.2
69.46043	16.6
79.05486	9.5
81.03423	6.1
81.07050	10.4
83.04989	2.3
83.08595	2.6
85.02894	8.1
87.00818	4.9
91.05480	7.3
93.07055	26.2
95.04964	2.7
95.08607	30.6
96.01847	2.5
97.02882	5.3
97.06560	3.6
105.01849	3.5
105.07024	28.9
107.04910	3.1
107.08589	14.6
109.02874	6.2
109.06521	5.9
109.10144	7.8
117.06976	3.5
119.08607	30.0
121.10143	27.2
123.08058	24.0
127.03896	5.9
131.08549	7.4
133.06506	6.7
133.10139	15.3
135.08064	4.4
137.09645	5.6
142.07716	2.6
143.08510	6.1
145.10182	14.8
147.11650	13.1
157.10138	18.0
158.10971	3.0
159.11665	8.7
160.08842	2.8
161.09587	3.6
169.56190	2.7
173.13286	29.2
175.11185	65.3
175.14819	10.8
187.14841	4.3
189.16455	14.1
194.11812	6.2
195.87106	2.5
199.14815	18.3
206.16064	3.7
217.15887	100.0
235.16884	23.1
283.34515	2.5
307.19882	3.4
433.15723	3.5
456.27356	3.1
500.27399	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.5
57.03437	3.5
59.04987	1.7
67.05483	1.2
69.03088	1.1
69.03433	12.3
69.07058	1.7
70.06566	0.9
71.04996	10.3
71.51600	1.0
73.06560	2.7
79.05494	3.4
81.07064	16.7
85.02911	9.7
86.09682	0.8
87.04473	7.3
91.05490	2.1
93.07050	11.9
95.08604	2.1
97.02899	10.1
97.06507	1.9
105.07030	0.9
107.08598	8.7
109.02871	1.0
109.10160	1.6
115.03173	1.4
115.03938	16.3
127.03932	2.1
133.04022	1.4
133.04977	17.5
135.11696	17.2
137.02365	1.1
137.05960	1.9
139.03992	0.9
141.09090	1.4
145.04976	1.7
147.04453	2.4
153.12753	100.0
154.13046	0.9
163.03888	1.2
166.08617	0.8
171.13837	1.2
175.07549	0.7
177.05484	2.0
198.87309	0.9
241.07011	0.9
259.08084	2.0
277.09158	0.9
295.10205	4.2
317.37677	0.8
405.31796	0.9
500.12973	1.2
500.21390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	22.6
57.03442	13.4
57.06842	0.7
57.07080	9.6
59.04995	3.3
65.03933	2.0
67.05508	81.7
69.07073	25.5
69.41595	5.3
71.04984	3.0
71.08646	5.2
79.05476	2.4
79.39983	0.7
81.07063	15.3
83.08626	27.3
85.06544	4.0
85.10175	2.5
91.05491	4.8
93.07052	5.0
93.34829	0.9
95.08625	8.3
97.06519	1.7
97.10178	17.8
107.08588	3.1
109.10163	78.0
111.08068	3.5
111.11743	3.9
119.08566	5.7
121.10152	2.2
123.11676	1.0
125.09577	0.7
125.13258	1.1
135.11681	2.0
137.09622	3.9
137.13293	0.9
149.13281	1.0
155.10660	6.5
173.11758	21.8
191.38206	0.7
229.14368	100.0
311.25821	76.5
311.29794	0.8
356.04083	0.7
465.35809	65.7
500.46445	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.03938	2.5
55.01871	2.7
55.05508	1.9
57.03435	2.6
57.07062	1.3
61.02943	4.0
66.42152	0.6
67.05502	2.5
69.03436	9.8
69.07063	1.3
69.78965	0.7
71.04992	3.1
71.30280	0.7
71.52247	1.0
73.02899	1.4
77.03932	1.0
79.05502	5.7
81.03429	7.2
81.07066	11.4
82.07401	3.4
84.48844	0.6
85.02916	23.9
85.06554	1.6
87.00826	1.1
87.04473	1.5
91.03949	1.4
91.05497	5.3
93.07054	4.5
95.04963	2.6
95.08616	4.4
97.02900	8.5
97.06580	0.9
97.10194	1.0
99.04471	1.5
103.05471	3.6
105.03367	1.6
105.07037	4.9
107.04984	1.2
107.08590	3.4
109.02859	3.7
109.10140	1.4
111.08088	1.2
115.05465	1.9
117.06961	1.5
119.08595	4.2
121.06501	0.8
121.10168	2.2
123.11723	6.6
124.12073	3.7
127.03944	7.4
128.06277	1.4
129.07010	2.6
131.04930	3.5
131.08556	0.9
132.05745	3.2
133.06526	2.5
133.10167	1.9
135.04427	100.0
135.11627	0.9
137.06007	2.8
137.87726	0.7
145.04999	4.3
145.10078	1.2
147.04410	1.3
147.08041	3.0
149.06026	1.0
149.13335	0.9
151.07542	0.8
151.11151	1.1
159.04399	4.3
159.08054	1.7
159.11725	0.9
160.05205	2.6
161.05998	12.0
163.07596	1.8
165.05560	0.9
169.12242	4.2
170.12590	3.1
173.06041	0.9
175.07561	38.2
177.05492	1.7
184.05231	0.8
187.07565	6.5
187.13329	2.6
188.13695	1.2
189.07069	0.8
190.07822	2.0
191.08575	8.5
192.09344	0.8
199.07532	5.1
199.14911	0.9
201.09056	0.9
202.07785	5.0
203.08566	10.6
212.61089	0.7
215.08713	0.9
217.15892	1.3
218.07320	1.4
219.08041	12.7
220.08867	1.7
230.07158	0.8
231.08064	12.8
232.08864	2.3
233.06090	0.9
233.09682	1.0
235.16943	2.4
243.07880	0.9
247.07607	4.4
248.08371	2.4
249.09146	12.1
251.10777	1.9
259.07581	7.2
260.08386	2.6
261.09128	3.4
263.07361	1.0
263.10721	3.5
275.07138	0.8
276.07828	2.2
277.08621	12.1
278.09427	1.2
279.10190	2.4
289.08578	9.8
290.09436	4.7
291.10132	6.5
293.11813	2.2
294.09003	1.0
295.15399	0.9
296.15750	1.2
305.08078	0.9
306.08859	3.3
307.09662	0.9
309.11230	28.6
314.16644	0.8
321.11237	34.2
323.12775	1.0
331.17462	1.7
332.17700	3.4
372.47620	0.8
415.20145	0.8
501.23672	1.7
501.33899	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.05508	3.4
56.12360	0.9
57.07061	1.5
65.03928	1.3
67.05493	3.8
69.03416	2.8
70.06590	1.2
71.04996	2.2
71.41453	1.4
71.87827	0.8
79.05506	1.7
81.03415	3.0
81.07073	2.2
83.04979	6.2
85.02897	3.2
85.06545	100.0
91.05500	1.9
93.07039	4.6
95.04961	2.0
95.08604	2.6
97.02892	2.4
97.06542	8.9
103.07565	2.1
105.07019	2.3
109.02904	2.7
109.10144	3.6
109.23960	0.9
113.05960	1.3
119.08563	1.2
121.06516	1.0
121.10142	4.2
123.08087	4.0
127.03911	4.3
128.64450	1.0
131.08566	1.8
137.06000	4.8
139.11169	11.6
147.04404	1.6
147.08044	1.3
149.09644	5.2
151.07501	1.1
161.05943	3.1
163.03920	2.8
164.04202	1.0
165.05463	1.8
167.10690	35.6
168.08839	1.0
179.07112	1.4
181.04976	19.6
199.06004	1.8
199.07632	1.4
203.07094	2.4
203.12735	2.1
227.12570	1.1
235.13377	0.9
245.08110	1.6
245.10391	1.2
263.09219	1.7
311.14978	2.4
324.05383	1.0
325.04181	1.2
329.15915	3.0
347.16974	4.1
391.54251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90318	2.4
53.03942	7.0
53.07816	2.3
55.01873	8.3
55.05511	7.2
57.03450	3.1
57.07085	3.0
61.02921	2.4
64.16030	2.4
65.03937	3.1
67.05511	22.4
69.03446	22.7
69.07074	23.8
71.04986	4.7
71.52113	2.9
73.02925	6.3
74.39046	2.8
75.32096	2.4
79.05510	18.9
80.74220	2.4
81.03419	17.5
81.07064	36.9
83.08619	4.2
85.02914	37.3
85.06550	3.9
87.00835	15.1
91.05485	31.1
93.07048	32.6
95.04977	9.2
95.08617	24.5
97.02907	19.6
97.06520	3.8
97.10160	2.6
99.04453	8.9
103.05469	3.1
105.01869	15.5
105.07036	48.6
107.08610	31.6
109.02898	15.3
109.06503	4.1
109.10163	20.7
116.06223	3.7
117.07039	25.4
119.08601	36.1
121.10146	19.3
123.11738	3.6
127.03930	32.4
129.01848	2.6
129.07036	7.3
130.07759	6.8
131.08585	41.4
133.10179	20.9
135.11710	11.9
137.05980	8.2
143.08563	11.5
144.09381	5.0
145.04958	9.5
145.10133	75.7
147.11690	13.5
157.10179	7.2
158.10905	4.2
159.02896	9.2
159.11696	55.5
159.12892	4.7
161.13264	8.9
163.11179	6.0
171.11778	2.8
173.13226	14.8
175.07584	2.9
175.14810	3.3
199.14799	5.0
201.16394	100.0
203.18027	9.5
213.04062	2.8
217.15944	4.3
219.17436	35.3
231.05075	7.9
261.39621	3.3
486.09894	2.8
502.18011	2.7
502.25385	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	502.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
53.30173	0.8
55.05505	1.0
58.59598	0.7
59.51838	0.6
67.05512	3.9
69.03423	1.9
69.07051	1.3
69.16309	0.7
71.04981	2.9
79.05476	2.0
81.03421	1.9
81.07059	6.1
83.04174	0.6
83.04990	1.3
85.02901	5.7
85.06548	1.6
87.00836	1.8
91.05458	3.1
93.07047	7.3
95.04976	4.7
95.08605	3.6
97.02891	2.3
97.06510	2.0
97.10178	1.9
99.04478	1.2
99.08106	1.2
104.34319	0.7
105.01853	3.0
105.07043	9.0
107.08606	7.5
109.02893	1.4
109.06503	4.2
109.10159	8.9
111.08047	1.0
117.07021	1.0
119.08580	5.7
121.10133	7.1
123.08067	1.8
123.11707	2.8
125.45844	0.7
127.03903	4.2
131.08551	8.6
133.10138	9.2
135.08034	3.1
135.11702	1.4
137.05951	0.9
137.09639	1.1
141.37471	0.7
145.04968	1.9
145.10152	4.8
147.11687	7.0
149.09607	3.7
149.13240	5.3
151.11200	14.4
159.02936	1.2
159.11769	4.1
161.13269	10.1
163.14816	2.3
173.13309	8.6
175.14772	1.3
179.14310	8.2
191.14320	31.2
199.46834	0.6
201.16396	3.2
202.06392	0.7
209.15378	100.0
210.15730	0.8
213.83809	0.6
219.17490	3.9
231.04984	1.0
273.75052	0.7
502.19473	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99207	0.7
53.03944	1.2
55.05508	1.8
57.03427	1.1
57.07072	2.1
59.05003	15.2
67.05495	2.4
69.03433	8.6
69.07070	1.8
71.52654	1.1
77.70183	0.7
79.05505	4.7
81.03394	1.9
81.07059	6.0
83.04990	1.7
85.02905	3.3
87.04463	2.9
89.61528	0.7
91.05476	3.2
93.07049	3.0
95.04953	0.8
95.08612	1.6
97.02905	4.5
97.06529	0.8
99.04457	1.2
103.05402	0.9
105.01852	1.3
105.07043	4.8
107.04974	3.8
107.08596	17.8
109.02846	1.4
109.06532	4.0
109.10172	4.1
115.03919	2.6
115.05447	1.1
115.11218	3.5
117.07101	1.1
119.08637	2.4
121.06483	1.7
121.10164	9.7
122.07287	2.6
123.08078	1.6
127.03915	3.4
131.08575	1.6
133.04959	2.9
133.10136	100.0
135.08061	9.5
135.11691	1.3
137.05998	3.3
137.09622	47.9
143.08572	0.9
145.05042	1.0
145.10133	1.9
147.11725	1.6
149.09644	2.3
149.13257	9.9
158.10870	1.4
163.14819	3.3
173.13321	6.3
191.14326	93.1
191.16359	11.1
209.15367	17.6
213.03789	0.9
231.04944	1.3
239.17094	0.8
252.76518	0.8
317.17459	1.1
327.03714	0.8
384.33447	0.8
395.94022	1.0
400.88010	1.0
403.17535	3.2
421.18500	3.5
439.19650	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	502.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
57.07068	1.4
59.05006	1.9
67.05513	6.1
69.03433	5.6
69.07072	98.9
69.37774	7.3
71.05013	1.2
79.05481	3.3
79.74902	0.8
81.03416	3.8
81.06591	1.5
81.07060	24.5
83.01379	0.9
83.04979	2.7
85.02899	9.8
87.00824	4.0
91.05484	2.6
93.07031	6.1
95.04960	2.4
95.08609	6.0
97.02887	6.3
97.06520	2.2
98.21464	1.5
99.04456	2.2
105.01855	4.5
105.07026	4.0
107.08578	5.7
109.02878	9.1
109.06534	4.8
109.10145	6.8
117.06992	1.0
119.08570	2.9
121.06583	1.1
121.10094	2.1
123.08057	1.8
123.11711	32.7
123.12603	1.9
127.03918	9.9
129.01814	1.5
131.08542	1.5
133.10139	2.9
137.05977	3.3
145.04933	2.8
145.10114	3.0
151.11189	100.0
153.05463	1.1
159.11716	2.3
161.09639	0.9
175.07629	1.1
185.08038	1.0
189.08936	1.6
201.16373	4.6
213.03926	1.9
219.17470	5.7
231.05045	3.6
274.27463	4.5
281.48291	1.0
323.84927	1.0
399.16443	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	502.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07678	1.2
54.27911	1.2
55.05514	9.8
57.03446	14.4
57.07080	27.7
59.04997	4.8
67.05507	83.9
69.07065	6.2
69.75336	5.7
69.75751	2.7
71.04980	2.8
71.08636	22.4
79.05482	1.5
80.65570	1.2
81.07058	19.8
83.08632	8.4
85.06501	1.4
85.10193	12.4
89.06027	2.1
91.05463	3.9
93.07042	2.2
95.08614	17.7
97.10165	3.5
107.08574	1.6
109.10164	77.3
111.08073	3.4
119.08582	4.4
123.11678	2.1
137.09625	2.8
155.10687	5.6
173.11725	22.0
223.19574	1.4
229.14368	95.5
239.09456	1.8
239.23863	1.8
313.27377	100.0
345.03174	1.6
467.37381	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34970	0.3
50.51727	0.4
50.56584	0.4
53.03934	1.3
54.83476	0.4
55.01858	1.2
57.03425	1.7
61.02940	2.5
69.03434	7.3
70.96347	0.8
70.96687	0.5
71.05004	0.5
73.02900	1.3
79.05488	1.6
81.03426	2.7
81.07053	1.6
85.02910	15.5
87.04479	0.7
91.03968	0.9
91.05480	3.6
94.04199	3.5
97.02894	5.6
99.04466	1.0
103.05464	2.2
105.07034	3.0
107.05008	0.9
109.02872	1.6
109.06509	2.9
115.05441	3.1
117.03459	0.4
117.07019	1.3
119.08591	2.3
121.06476	0.5
122.03658	7.9
127.03925	3.0
128.06203	1.9
129.07021	1.9
131.04944	4.9
132.05716	2.0
133.06480	2.2
137.05981	100.0
140.81682	0.4
141.07030	1.3
143.04964	0.7
143.06059	0.5
145.05017	2.0
145.06546	0.8
146.03668	1.1
147.08058	3.5
149.05986	1.3
155.04912	0.6
156.05658	0.7
159.08054	1.7
160.05200	1.9
161.05983	11.5
161.07277	0.8
163.07545	8.1
167.07077	0.6
168.05656	0.7
169.06497	0.7
171.08069	0.8
172.05194	0.5
175.07555	39.2
179.07072	0.8
184.05243	1.7
187.07542	7.0
189.09061	1.4
190.07858	1.3
191.08585	4.5
192.09319	0.5
198.34973	0.5
199.07535	13.2
201.07286	0.4
201.09201	0.9
202.07773	3.9
203.08572	7.8
204.09317	0.5
205.06573	0.7
208.08842	0.6
215.08719	0.5
217.08643	0.7
218.07304	1.6
219.08083	7.0
220.08833	2.2
221.06021	0.6
221.09663	0.5
224.08188	0.4
230.07259	0.5
231.08058	9.5
232.08871	1.6
235.07568	0.9
235.11209	0.5
236.08369	1.2
247.07559	4.0
248.08319	3.8
249.09032	0.6
251.10649	9.0
259.07556	4.8
260.08295	2.1
261.08984	1.1
263.10648	5.2
264.07764	0.7
265.08585	1.1
275.07089	0.7
276.07770	2.8
277.08560	3.3
279.10187	8.2
280.10968	0.9
281.08047	0.7
291.07117	0.9
291.10162	12.1
292.10962	4.6
293.08087	1.0
295.10150	0.5
295.13373	1.6
296.10468	1.2
298.11234	0.4
299.76941	0.4
308.10480	1.6
311.12790	19.5
323.12778	22.9
325.14417	2.1
341.13675	0.7
361.88898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
57.03449	1.7
59.04989	1.3
61.02925	1.1
62.74658	1.0
62.90454	0.8
64.26964	1.0
67.05520	1.2
68.86811	1.0
69.03433	10.1
69.67319	3.6
69.67730	1.8
71.05002	1.2
73.02914	1.1
79.05498	2.9
81.03428	3.2
81.07057	5.6
85.02905	15.2
85.06532	1.6
91.05479	3.9
93.07057	3.2
94.04200	2.6
95.08605	2.2
97.02911	6.5
99.04424	1.2
103.05478	3.1
105.07056	5.8
106.07384	1.1
107.04949	1.7
107.08619	3.7
109.02888	2.6
109.06518	2.7
109.10170	1.5
110.06919	1.0
115.05457	3.3
117.07005	1.4
119.08570	3.4
121.06543	1.0
121.10155	2.3
122.03658	8.1
123.11722	2.7
127.03925	3.3
128.06239	3.0
129.07034	1.2
131.04938	3.8
131.08585	1.8
132.05740	2.2
133.06517	2.3
133.10146	14.2
134.10507	8.1
137.05991	100.0
137.09546	6.2
138.09985	4.3
141.07059	1.2
145.04924	3.0
145.06516	1.4
146.03548	1.2
147.08061	2.5
149.05963	2.3
149.13312	1.4
150.13594	1.5
151.07625	1.0
151.11140	1.5
159.08089	1.9
160.05211	2.1
161.06015	11.6
163.03889	1.0
163.07542	7.4
167.07100	1.1
168.05725	1.6
169.12268	1.9
171.07951	1.4
173.13255	1.3
175.07565	33.9
184.05211	1.8
187.07509	5.6
189.09094	1.1
190.07779	1.6
191.08621	4.3
191.14294	9.9
192.14668	12.6
198.80190	1.1
199.07576	13.7
201.05496	1.9
202.07858	3.2
203.08592	6.5
210.15770	2.2
218.07333	1.3
219.08093	6.6
220.08813	2.2
230.07422	1.0
231.08072	9.4
236.08348	1.4
247.07498	2.2
248.08406	5.2
249.09196	2.6
251.10724	7.8
253.17619	1.0
259.07535	4.4
260.08356	2.3
261.09018	1.4
263.10696	3.9
265.08685	1.5
276.07895	1.9
277.08572	3.9
279.10187	6.0
280.10950	1.5
291.10162	11.5
292.10944	3.4
293.08047	1.4
295.13281	2.4
303.10199	1.1
308.10526	1.6
311.12762	16.7
323.12817	24.0
325.14453	1.4
331.17645	1.1
370.22171	1.0
428.00397	1.0
492.88934	1.0
503.20215	1.3
518.70850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
63.96675	0.5
69.03423	1.5
69.75679	3.1
73.99178	0.6
75.06676	0.6
79.05490	1.6
79.20438	0.6
85.02920	5.5
90.39510	0.6
91.05482	2.4
94.04181	3.9
95.04966	0.8
97.02889	1.9
98.20734	1.0
103.05470	1.4
105.03406	0.6
105.07048	5.2
109.02920	0.9
109.06542	1.2
115.05441	3.2
117.07044	1.1
119.04920	1.1
119.08575	1.9
119.68063	0.6
122.03687	5.3
127.03967	1.6
128.06232	1.1
129.07022	2.1
131.04970	1.7
132.05727	2.3
133.06470	3.8
135.21080	0.5
137.05989	100.0
145.05002	0.9
145.06480	1.0
147.04413	0.9
147.08081	1.7
149.05959	1.1
152.63286	0.5
155.04932	1.0
157.06541	0.6
159.08110	2.8
160.05199	1.2
161.05991	14.7
163.07629	0.7
163.26039	0.6
171.08179	1.0
172.05235	1.5
175.07561	28.4
179.07010	1.5
184.05225	0.9
187.07561	7.9
189.09103	0.7
190.07782	2.2
191.08606	5.3
194.79883	0.6
199.07555	7.4
202.07809	2.1
203.08594	4.7
218.07280	2.2
219.08099	9.5
220.08902	2.0
231.08125	5.0
232.08926	1.8
235.07516	0.7
236.08266	0.8
246.06891	0.6
247.07591	4.2
248.08322	2.5
251.10707	14.3
259.07501	2.8
260.08368	1.1
261.09201	1.2
262.09756	0.6
263.10681	2.8
264.07803	1.0
265.08670	0.9
276.07892	1.0
277.08545	1.7
279.10178	12.4
280.10962	1.2
291.10175	8.8
292.11029	2.0
295.13260	0.9
296.10529	1.6
308.10349	0.8
311.12796	30.1
323.12820	15.8
341.14090	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30341	0.6
53.03946	1.0
55.01880	1.2
57.03434	2.0
61.02921	1.9
62.55892	0.7
66.40654	0.6
67.05505	0.7
69.03432	6.7
71.05005	1.0
73.02943	0.8
79.05499	2.0
80.12026	0.6
81.03414	3.8
81.07051	2.3
85.02912	14.8
85.06538	0.7
87.04471	1.0
91.05478	5.0
92.96266	0.6
93.07029	0.9
94.04188	2.7
95.04955	0.9
95.08643	1.2
97.02901	4.6
98.20724	1.2
98.86213	0.7
99.04457	1.5
103.05466	3.1
105.07030	5.4
107.04978	1.7
107.08591	1.0
109.02869	2.2
109.06523	2.4
115.03937	0.8
115.05456	3.7
117.07041	1.8
119.08574	2.3
121.06532	1.0
122.03663	9.1
127.03945	3.5
128.06210	1.5
129.07021	2.1
131.04961	4.7
131.08542	1.4
132.05746	2.0
133.06442	4.0
133.10139	5.3
137.05991	100.0
145.04970	2.1
145.06456	0.7
147.04453	1.7
147.08128	3.2
147.11703	0.7
149.06100	1.4
151.03961	0.7
156.05766	0.8
157.06529	0.7
158.07559	0.7
159.08080	2.1
160.05202	1.1
161.06004	12.5
163.07544	7.5
169.06540	1.0
169.12192	0.9
171.08090	1.2
173.13321	2.5
175.07556	36.7
181.05066	1.0
184.05132	1.2
187.07605	7.2
190.07780	1.6
191.08565	5.3
191.14357	2.4
199.07561	13.5
201.09129	0.9
202.07788	3.0
203.08591	7.5
205.06416	1.0
217.08551	0.7
218.07367	1.7
219.08072	8.3
220.08873	2.9
220.32483	0.7
221.09790	1.0
230.07236	0.8
231.08072	8.3
232.08881	1.4
235.11188	1.1
236.08350	1.6
237.09265	0.8
243.08240	1.0
247.07574	4.8
248.08409	4.4
249.09164	1.0
251.10706	9.6
259.07520	6.2
260.08344	2.3
261.09183	2.0
263.10632	5.0
264.07822	1.4
265.08713	1.2
268.88864	0.9
270.61069	0.8
276.07913	2.4
277.08633	2.9
279.10165	8.7
280.10880	0.9
291.10205	13.4
292.10806	4.0
293.08047	1.8
293.11493	0.7
295.13348	2.3
297.40729	0.8
308.10544	1.7
311.09183	1.4
311.12769	22.8
323.12793	24.3
325.14343	1.2
341.13889	1.7
402.15607	0.8
415.22391	0.8
503.19461	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	503.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01873	0.6
55.05490	0.4
57.03426	0.6
61.02922	0.7
62.15529	0.4
66.04723	0.9
69.03426	1.8
70.06561	0.7
71.04993	0.7
71.18931	0.9
76.93414	0.4
79.05489	1.9
81.03422	1.2
81.07047	1.2
85.02909	5.0
85.06549	3.3
86.35161	0.5
91.05479	2.7
94.04204	2.7
97.02886	1.6
103.05447	2.3
105.03436	0.6
105.07034	5.0
107.04958	1.2
109.06535	1.5
111.08186	0.5
115.05438	2.8
116.74535	0.5
117.07047	0.9
118.04176	0.7
119.04959	0.7
119.08558	1.7
122.03649	5.2
127.03911	1.2
128.06235	1.8
129.07008	2.3
131.04927	1.4
131.08546	0.5
132.05711	1.4
133.06520	3.9
137.05981	100.0
139.11198	0.5
145.04996	0.8
145.06494	1.3
146.03662	0.8
147.04413	2.0
147.08047	1.8
149.05954	1.4
155.04898	0.9
156.05702	0.9
159.08061	2.5
160.05226	1.1
161.05989	12.6
163.03877	0.6
167.10733	1.2
171.08180	0.7
172.05243	1.0
175.07555	24.5
177.05519	1.0
179.07069	1.9
184.05214	1.2
187.07578	9.2
189.06998	0.6
189.09091	0.9
190.07767	1.5
191.08563	8.1
199.07549	7.1
202.07727	2.3
203.08578	4.2
205.06465	0.8
208.08826	0.7
217.08540	0.9
218.07304	2.1
219.08029	9.8
220.08812	1.7
231.08069	4.6
232.08783	1.5
233.09711	0.7
235.07494	1.2
236.08353	1.6
247.07547	3.1
248.08331	2.5
249.09299	0.6
250.10158	0.6
251.10680	12.7
253.08784	0.6
259.07538	2.9
260.08331	1.5
261.09122	1.3
263.10718	3.3
264.07965	1.2
265.08728	1.0
275.06955	0.5
276.07840	1.6
277.08600	1.9
279.10159	10.9
280.10983	1.0
281.08130	0.8
291.07077	1.1
291.10162	9.2
292.10947	2.2
295.09900	0.6
295.13315	0.8
296.10504	1.4
308.10522	0.7
311.12778	28.6
323.08899	0.8
323.12772	14.6
341.13950	1.7
503.15381	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84019	1.1
50.87831	1.0
51.34277	1.2
56.05056	1.0
57.03433	3.9
61.02923	3.5
67.05523	1.3
69.03437	12.8
70.06596	1.4
71.04983	1.2
71.51599	1.9
73.02914	2.5
79.05505	2.0
81.03421	5.5
81.07063	3.0
83.05011	1.2
84.08179	2.1
85.02909	31.1
86.09681	1.1
87.04472	1.8
91.03976	1.2
91.05490	5.1
93.06988	1.5
94.04185	2.3
95.04975	3.0
97.02888	10.3
99.04472	3.3
103.05481	2.1
105.07029	4.1
107.04959	2.1
107.08614	2.7
109.02869	3.4
109.06529	2.3
109.10184	1.3
115.04014	1.2
115.05481	1.4
117.06950	1.2
119.04974	2.0
119.08560	2.2
121.06503	2.0
122.03609	5.6
127.03904	8.4
128.06244	1.7
129.07036	5.5
131.04924	4.1
133.06520	2.7
133.10149	4.8
136.12810	1.3
137.05986	100.0
141.06964	1.4
143.08545	1.6
144.05663	2.3
145.04967	4.6
147.04430	6.0
148.04776	2.9
149.05994	1.5
151.07579	5.3
157.06477	3.2
158.07246	1.8
159.08066	3.1
160.05254	1.5
161.06001	14.0
161.09641	1.3
163.03909	4.2
163.07555	1.9
164.07025	2.0
164.74568	1.2
171.08072	1.4
172.05197	5.1
173.13239	3.0
174.06758	7.5
175.07547	14.4
177.05508	1.6
177.09177	2.0
179.07100	2.0
181.04965	1.2
185.05991	1.5
187.07558	39.6
187.09204	2.5
189.09097	13.7
190.07782	1.4
191.08548	5.1
191.14360	4.2
199.07593	5.7
201.09045	2.7
202.07706	2.7
203.08586	6.4
205.06546	1.8
208.08899	1.3
209.15356	2.9
211.07629	2.0
217.08641	21.7
218.07294	1.9
219.08098	10.1
220.08803	3.4
225.09042	1.2
231.08047	11.5
232.08768	3.0
236.08405	2.3
247.07579	7.2
248.08270	7.6
249.09190	2.8
251.10675	11.0
253.08614	2.8
259.07632	6.4
260.08258	3.1
261.09225	3.3
262.10040	2.4
263.07077	1.8
263.10718	9.9
264.07867	2.5
265.08612	4.4
270.08795	1.3
271.09726	9.1
276.07840	6.9
277.08624	4.5
279.10190	18.1
280.10855	2.0
281.08096	3.0
291.10132	21.5
292.11020	3.1
293.08084	3.8
293.11664	2.0
295.09467	1.5
296.10413	7.2
297.11261	3.1
308.10440	4.2
309.11139	1.5
311.12790	33.7
323.12799	39.3
325.14236	1.5
341.13831	38.2
346.51321	1.4
485.17798	1.4
503.19479	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68725	1.5
55.05508	2.9
56.71620	1.6
60.64452	2.3
67.05499	2.1
69.03418	8.0
69.07057	2.0
71.12617	3.1
79.05476	5.7
81.07066	8.2
83.05769	1.5
85.02903	10.4
87.04481	1.8
91.05472	7.4
91.52592	1.6
93.07050	3.8
94.04183	2.9
95.08606	2.2
97.02901	3.9
103.76488	1.6
105.07037	10.0
107.04939	1.7
107.08626	10.2
109.06514	7.1
109.10136	5.1
115.05427	4.6
119.08578	5.6
121.06477	2.4
121.10153	7.2
122.03635	8.3
123.08140	2.5
123.11705	1.9
127.03910	4.4
129.07042	2.2
131.04955	2.0
131.08546	2.8
133.06517	4.6
133.10144	67.2
135.08055	4.8
137.05991	100.0
137.08664	2.8
137.09612	27.9
145.10115	2.4
147.08067	2.8
147.11684	2.9
149.13307	8.2
159.08061	4.0
160.05264	2.0
161.06006	12.2
167.07076	5.3
173.13194	8.1
175.07558	30.8
187.07516	7.1
190.07787	3.2
191.08559	5.2
191.14325	40.2
199.07556	8.3
202.07687	1.7
203.08597	5.5
209.13460	2.7
209.15379	24.3
219.08086	11.1
220.08801	3.0
231.08031	6.1
247.07542	4.5
248.08241	3.2
251.10651	12.6
259.07617	3.9
263.10587	2.1
264.07657	2.8
276.07617	2.7
277.08353	1.9
279.10226	11.6
291.10214	7.0
292.10864	2.2
311.12799	25.6
323.12787	17.0
325.64523	1.6
341.14032	1.8
349.14767	1.8
503.19943	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	503.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.05515	10.9
57.03423	2.3
57.07069	3.6
59.05001	1.6
67.05505	19.4
69.03422	7.1
69.07087	6.5
71.04990	10.9
71.41732	2.0
73.02951	1.8
73.66313	1.3
74.42656	1.2
79.05489	7.6
81.03407	6.7
81.07056	100.0
83.08601	2.1
85.02911	10.3
85.06547	7.2
89.06034	1.6
91.05488	4.2
91.35355	1.4
92.66507	1.2
93.07048	9.1
95.04969	6.4
95.08608	21.7
97.02890	4.8
97.10180	11.3
99.04443	3.3
99.08073	2.7
105.07045	5.7
107.08612	8.6
109.02873	8.5
109.06520	6.4
109.10147	3.2
110.63396	1.6
111.04404	1.4
111.08076	2.9
119.08557	1.7
121.10137	3.4
122.03667	2.3
123.11709	73.7
125.09637	1.8
127.03922	14.9
131.04857	1.9
133.06616	1.4
133.10120	5.7
137.05981	33.9
141.12694	4.4
145.10115	2.3
151.11205	13.5
161.05980	5.1
163.07480	3.6
169.12238	62.7
173.13213	2.2
175.07573	7.9
175.45564	1.4
187.07451	1.8
187.13274	22.6
199.07533	1.8
201.16411	2.1
203.08580	1.9
259.07742	1.8
263.10583	1.8
277.14487	2.0
279.10172	1.7
291.10187	2.7
292.11029	1.7
295.15430	11.2
311.12762	4.6
313.16400	6.2
323.12839	7.0
331.17508	32.0
341.68112	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16499	0.7
53.03959	1.0
55.05511	4.2
57.03426	1.1
57.07074	2.2
58.69804	0.7
61.02887	0.7
63.56358	0.8
64.75881	0.7
67.05502	3.9
68.56825	0.7
69.03432	4.2
69.07061	2.1
70.06607	1.1
71.04984	2.9
71.52312	0.9
79.05481	1.8
81.03425	2.7
81.07056	3.3
83.04990	6.6
83.08656	0.7
85.02924	5.9
85.06546	100.0
87.04446	0.9
90.77108	0.7
91.05473	3.8
93.07046	5.4
95.04979	1.9
95.08619	3.7
97.02904	3.6
97.06539	6.7
99.04447	1.7
103.07594	3.0
105.07052	3.0
107.08588	2.3
109.02897	3.8
109.06515	0.8
109.10161	5.7
111.04349	0.9
111.08086	2.0
113.06042	0.8
115.05533	0.8
119.04975	2.0
119.08597	1.4
121.06503	4.2
121.10151	5.0
122.03634	0.9
123.08089	2.8
123.11683	0.9
127.03928	3.4
131.08597	2.1
133.06525	1.3
133.10173	2.2
137.05988	12.6
137.09633	1.5
139.11176	11.9
145.04926	0.9
147.04449	2.2
149.09612	5.7
155.10718	2.0
161.05986	1.4
163.03954	2.4
167.10681	36.0
169.12296	1.8
173.13179	0.8
175.03958	1.8
175.07596	3.2
181.04976	1.7
187.07582	1.1
199.07562	1.0
203.12839	2.2
207.06566	2.2
219.08075	1.1
227.09279	0.9
229.14006	0.9
245.10252	1.8
251.10577	1.3
259.07297	1.0
279.10361	1.0
286.06424	0.7
311.12344	1.4
311.15335	2.1
323.12839	2.3
329.15991	3.7
347.17084	4.3
503.20624	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	504.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.4
55.05498	0.3
57.03441	0.3
57.05808	0.3
60.40023	0.2
67.05500	0.4
69.03425	1.0
69.07072	8.8
70.06587	0.7
71.04987	0.5
72.08162	0.8
79.05486	0.6
81.03419	1.8
81.07052	0.4
84.08151	0.6
85.02449	0.3
85.02879	1.5
86.09710	100.0
87.10054	0.5
90.13350	0.4
91.05488	3.7
93.07052	0.9
95.05006	0.5
97.02877	1.6
99.04463	0.9
103.58403	0.3
107.04958	0.4
109.02882	3.2
109.06518	0.3
114.05537	0.6
114.26905	0.3
119.04951	4.9
121.06503	3.1
122.10477	0.3
124.03961	0.3
127.03922	2.3
131.04947	0.9
132.10219	3.3
135.61731	0.3
137.06001	1.5
138.06343	0.6
145.04977	0.4
147.04417	4.7
149.05974	2.2
149.09697	0.5
150.07620	0.3
150.10008	0.7
163.03894	0.4
164.07103	1.5
165.05498	1.8
174.06876	0.5
175.03949	1.0
175.11273	0.3
181.13968	0.3
182.08148	0.3
187.07524	0.5
188.03795	0.4
188.08008	0.4
193.05011	2.2
203.05040	0.3
207.59247	0.3
209.15456	0.3
210.07591	0.2
211.06143	0.7
217.08607	0.4
218.08833	0.4
222.07819	0.3
230.13974	0.8
240.12285	1.4
248.14964	0.6
249.08684	0.3
258.13379	12.1
276.14432	7.8
278.09024	0.3
278.13889	1.9
280.10654	0.3
292.10535	0.3
294.15549	1.2
306.13409	0.6
307.41452	0.3
312.13159	0.4
323.12592	0.4
324.13556	0.9
324.19058	0.3
342.14380	0.8
346.53290	0.3
465.82272	0.3
468.18707	0.4
486.19583	1.1
504.20755	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	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
55.01871	6.5
55.05514	13.4
57.03428	3.8
57.07073	3.3
60.44609	2.1
64.74613	2.3
67.05508	34.2
69.03432	13.5
69.07076	16.9
70.90284	6.0
79.05493	13.7
81.03423	11.4
81.07059	45.4
83.08618	9.4
85.02902	26.8
85.06551	4.4
87.00829	14.6
91.05489	25.3
93.07047	71.1
95.08614	60.7
97.02908	18.2
97.06530	4.3
99.04436	4.1
100.04993	2.5
105.01855	14.1
105.07030	55.8
107.08594	51.4
109.02875	6.9
109.06518	2.6
109.10157	100.0
111.08073	9.3
111.11700	2.5
115.14616	2.3
117.01856	3.5
119.08582	46.1
121.10143	30.0
123.08056	8.1
123.11703	13.2
125.09605	6.8
127.03912	24.3
131.08569	2.5
133.10121	27.8
135.11697	47.8
137.05984	6.3
145.04958	8.1
145.10138	3.1
147.11691	61.4
149.13245	4.8
157.10033	3.3
159.02875	6.9
159.11624	5.2
161.13268	18.2
163.11198	3.7
163.14824	6.9
165.12740	5.2
173.13275	2.5
175.14812	10.5
203.17952	97.7
215.18008	2.5
221.18979	13.3
231.05049	4.7
328.23709	2.5
393.59912	2.7
527.20184	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.7
55.01860	9.1
55.05519	12.1
57.03443	3.3
60.27966	2.1
61.02920	3.0
67.05499	24.5
68.99784	2.1
69.03426	21.2
69.07063	9.0
69.67830	7.0
69.68239	4.5
71.05002	4.2
73.02922	6.8
79.05489	10.5
81.03420	23.7
81.07056	45.2
83.08621	3.1
85.02904	52.7
87.00825	25.4
91.05481	18.7
93.07046	40.8
93.48389	2.1
95.08607	50.3
97.02902	21.0
97.10200	2.8
99.04433	10.5
105.01879	18.4
105.07034	47.3
106.84369	1.9
107.08593	56.7
109.02882	25.6
109.10159	48.6
117.01824	3.1
119.02854	1.9
119.08582	40.5
121.10159	16.6
123.11713	15.6
127.03918	37.5
129.01936	2.0
131.08592	2.6
133.10136	21.9
135.11690	16.8
137.13208	2.3
145.04958	19.4
145.10178	3.0
147.02846	2.3
147.11687	39.0
151.11195	3.4
159.02902	15.7
159.11652	3.2
161.13278	15.3
163.14764	5.4
175.14856	6.7
197.42462	1.9
203.17963	100.0
205.19501	2.3
220.20795	2.3
221.18999	7.3
231.05020	9.2
293.27139	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	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.3
54.32025	1.7
55.01871	6.9
55.05514	10.8
57.03442	3.2
57.07072	2.1
61.02923	4.5
65.03912	2.9
67.05238	1.8
67.05512	18.0
68.99805	2.2
69.03439	21.3
69.07066	8.1
69.78926	5.2
69.79322	3.7
71.04990	4.9
73.02915	7.2
79.05498	14.7
81.03427	27.7
81.07068	48.5
83.08621	2.9
85.02914	57.2
87.00840	22.6
91.05471	14.9
93.07059	37.7
95.08617	63.1
96.59996	1.8
97.02906	22.7
97.10179	3.0
98.21407	3.8
99.04465	7.0
105.01878	22.4
105.07044	66.9
107.08611	53.7
109.02893	27.3
109.09473	3.4
109.10175	43.6
117.01844	4.7
119.08600	40.4
121.10159	19.2
123.11687	10.4
125.09669	2.5
127.03932	45.6
129.01828	3.8
131.08586	3.5
133.10152	23.2
135.11723	14.9
137.13359	2.0
145.04974	18.2
145.10104	2.4
147.11707	45.2
149.13235	2.1
159.02928	21.1
159.11653	3.3
161.13300	17.2
163.11018	2.4
163.14821	7.3
175.14813	6.2
183.91124	2.0
189.04002	2.4
198.05019	2.2
201.16399	3.3
203.17979	100.0
205.19499	2.2
213.03862	3.3
213.16380	2.3
221.19038	8.6
231.05008	9.9
249.06001	2.2
298.87592	2.0
329.70871	2.2
448.79974	1.9
526.35907	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	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.0
51.38706	1.9
53.03938	6.0
55.01863	6.5
55.05513	15.9
58.59067	1.7
63.78898	1.7
66.76407	1.9
67.05515	20.6
69.03387	2.2
69.07080	17.4
69.67001	12.1
79.05502	14.7
81.07063	54.0
83.05025	3.3
83.08610	7.9
85.02899	6.1
85.06547	2.1
87.00832	2.4
91.05494	33.2
93.07053	100.0
95.04970	4.5
95.08613	41.5
97.02819	2.3
97.10165	4.5
98.71545	2.0
103.05468	2.1
105.01877	2.1
105.04503	3.0
105.07042	47.9
107.08607	51.0
108.57143	1.8
109.06504	2.7
109.10165	65.0
111.08083	29.6
111.11717	2.1
116.69202	1.8
119.08596	35.3
121.10167	26.1
123.11692	15.4
125.09599	3.1
127.03898	3.9
131.08563	2.5
133.10133	25.6
135.10707	3.8
135.11705	52.0
145.10100	2.7
147.11703	53.5
149.13228	3.3
161.13268	14.1
163.14769	6.3
165.12721	4.6
167.93407	2.0
175.14812	6.9
177.16360	2.0
193.15865	2.4
203.17976	56.4
221.19096	11.0
227.10802	2.0
245.09731	1.8
348.23972	1.9
379.45862	1.9
418.19363	2.3
460.20511	3.9
504.19214	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74047	3.0
53.03940	7.9
55.01867	6.6
55.05515	14.7
57.03437	2.6
57.07067	3.9
59.04998	4.1
61.02928	2.8
67.05505	29.5
68.99770	3.1
69.03429	24.9
69.07070	66.0
69.86274	12.7
70.24451	2.6
71.04976	5.3
73.02914	5.7
75.47427	2.9
79.05486	16.0
81.03418	23.9
81.07059	91.3
83.08631	6.6
84.83955	2.4
85.02907	54.8
87.00832	20.5
88.08990	2.6
91.05474	21.9
93.07049	59.1
95.04965	3.4
95.08608	61.3
97.02892	20.7
97.10140	5.2
99.04467	7.2
100.37156	2.5
103.05511	2.7
105.01842	15.3
105.07031	62.4
105.07706	5.5
107.08595	44.1
109.02882	23.8
109.09418	2.1
109.10152	58.2
117.01899	4.2
118.83331	2.9
119.08579	62.4
120.08894	3.3
121.10137	34.1
122.10426	3.0
123.11698	50.3
127.03910	39.8
131.08545	3.1
133.10130	44.7
135.11682	25.0
143.08545	3.9
145.04974	15.1
145.10135	9.9
146.10490	3.3
147.08066	5.1
147.11685	63.2
149.13280	11.4
157.10158	3.3
159.02831	17.7
159.11687	5.0
161.09776	3.7
161.13263	23.7
163.14861	6.9
175.14883	7.1
177.16351	6.1
189.12769	3.1
189.16393	5.1
195.52333	2.6
203.17961	100.0
205.19551	5.7
221.18990	17.1
231.04962	6.3
239.20134	3.7
409.68179	2.9
442.38626	2.7
458.33356	4.8
468.32080	3.3
504.34015	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78289	2.4
52.18424	2.5
55.05514	3.0
57.07066	3.1
65.01129	3.5
67.05495	8.6
69.03441	16.0
69.07077	29.9
71.04989	4.9
71.25903	6.0
79.05489	6.2
81.03400	6.5
81.07061	100.0
82.95929	2.7
85.02917	34.6
87.00826	22.4
93.07038	5.1
95.08615	46.8
97.02929	13.4
99.04443	5.1
105.01875	46.3
105.07042	4.4
107.08584	5.4
109.02879	6.5
109.10149	10.9
119.08601	4.4
123.11740	4.4
124.91800	3.3
127.03927	19.8
145.04942	10.6
147.11688	7.5
151.14867	16.6
203.17944	7.8
231.04980	14.1
249.05986	17.2
517.40497	2.6
532.50604	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32242	3.3
53.03943	13.6
54.45822	3.6
55.01872	7.8
55.05511	10.5
57.03440	6.6
61.02937	7.1
66.41700	3.8
67.05499	15.8
69.03436	34.8
69.07067	17.8
70.41756	3.1
70.70708	8.5
71.04998	17.5
73.02910	11.6
79.05507	27.7
81.03427	36.1
81.06593	5.9
81.07068	100.0
83.08611	8.5
85.02911	90.8
87.00831	43.1
91.05480	19.7
93.07047	30.3
95.04979	5.3
95.08614	42.9
97.02905	47.1
97.10191	3.4
99.04455	13.7
105.01883	44.2
105.07038	68.5
105.67200	3.9
107.08599	53.5
109.02901	30.7
109.10175	33.2
111.08072	5.8
117.06995	4.2
119.08591	96.0
121.10139	19.0
123.11734	29.0
125.09648	6.7
127.03925	58.3
127.11249	19.9
129.01831	6.5
131.08554	7.2
133.10147	38.6
135.11703	90.3
137.05974	9.9
137.13268	5.8
143.10683	11.2
145.04970	23.3
145.10086	5.5
147.11694	42.0
149.13289	10.3
159.02852	19.8
159.11711	5.6
161.13243	18.2
163.14818	6.2
165.12746	7.2
171.11653	4.2
175.14810	3.7
177.16393	7.1
203.17976	76.9
205.19513	6.6
221.13318	4.4
221.19016	54.9
225.12888	4.2
231.05054	11.1
249.06096	6.1
468.32217	9.5
486.33401	4.3
504.34119	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05507	2.9
67.05490	3.3
69.03426	3.3
69.07087	5.8
71.05011	1.6
71.53346	1.1
75.01768	0.9
79.05486	1.1
81.03416	3.7
81.07053	8.0
83.05000	1.7
83.08617	1.5
85.02909	5.9
85.06541	1.3
86.09704	10.8
87.00830	2.6
91.05485	2.8
93.07056	4.2
95.04958	0.8
95.08599	8.9
97.02885	2.9
97.06546	2.1
99.04452	1.4
105.01904	1.4
105.07033	3.7
107.08610	6.0
109.02889	3.5
109.06556	1.9
109.10160	11.6
111.08114	5.5
114.09094	0.8
118.06515	1.0
119.08589	8.7
121.10162	4.6
123.08080	5.6
123.11686	4.1
127.03918	4.6
133.10130	9.3
135.11691	10.2
137.06020	1.6
137.09616	14.5
137.13185	1.1
138.10315	1.1
145.04948	1.8
147.11720	2.5
149.13264	3.0
151.14838	2.0
163.03928	1.8
163.19150	1.0
164.07065	25.7
165.12798	2.3
165.16454	0.9
175.14822	18.3
182.15465	2.1
193.04971	0.9
193.15884	13.3
203.17993	1.3
211.16933	100.0
239.76131	0.8
255.79051	0.9
295.15356	1.0
345.21796	5.4
361.16519	2.4
373.21713	1.3
391.22519	1.1
459.22318	1.2
487.19824	1.5
504.30725	29.4
505.20804	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.9
55.01860	9.5
55.05508	16.5
67.05518	35.5
68.22742	4.7
69.03424	24.1
69.07078	79.6
69.07877	6.3
72.70354	4.8
79.05482	22.0
79.48830	4.7
81.03000	5.7
81.03411	35.3
81.07063	84.7
83.04999	31.0
83.08625	5.6
85.02912	69.4
87.00838	32.8
91.05478	26.5
92.67645	5.9
93.07053	48.8
95.04958	18.5
95.08602	59.1
95.17032	4.9
97.02881	32.3
99.04445	18.0
105.01873	27.4
105.07031	73.8
107.08594	41.6
109.02924	27.8
109.06516	6.2
109.09463	7.6
109.10152	71.4
110.25861	5.1
119.08593	71.6
121.10142	40.4
123.11717	67.0
127.03945	50.9
129.01872	5.2
133.10141	38.1
135.11699	28.3
145.04936	23.2
145.10164	7.7
147.11711	59.5
149.13300	10.4
159.02879	18.9
159.11658	9.0
161.13269	22.7
162.12483	4.8
175.14786	12.7
186.47662	6.2
203.17984	100.0
205.19566	9.4
205.57835	5.2
221.19041	11.0
231.05177	7.4
244.56157	5.5
250.66579	5.2
283.41260	5.3
394.99805	5.1
486.33273	5.5
504.33939	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	505.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48729	0.7
56.05030	1.0
56.96547	0.8
58.06607	6.6
62.06082	0.8
62.73700	0.6
69.03421	1.8
69.77877	2.1
69.78272	1.5
70.06593	1.3
72.08145	1.8
73.89492	0.7
74.06099	5.1
79.05489	1.5
81.07047	1.0
85.02903	20.0
86.06071	1.8
87.04474	11.6
91.05479	1.7
93.07045	2.3
97.02890	2.2
98.97600	1.1
105.07026	1.8
107.04936	0.8
107.08531	0.8
109.02828	1.0
109.74024	0.7
110.09657	0.7
118.06531	5.3
119.04916	1.0
119.07315	3.4
120.08125	4.0
121.06554	0.8
127.03938	1.0
129.07005	1.1
130.04991	2.4
130.06517	2.2
131.03427	1.8
132.08104	5.7
133.08887	3.5
134.09631	1.2
137.05984	2.2
141.07039	1.0
145.04918	0.8
146.09642	2.1
147.04401	1.8
158.09656	1.2
158.97487	0.9
163.03882	1.9
164.07071	72.3
165.07440	1.7
166.12280	10.3
167.08485	1.0
176.07028	0.9
177.07855	1.3
181.10225	1.0
182.09651	1.2
190.08562	1.0
194.11729	1.1
196.11208	1.6
200.14369	1.0
207.11647	1.6
212.12813	25.1
214.15910	0.8
216.10330	0.8
222.12883	1.1
224.14348	2.3
226.15944	2.7
234.98997	2.9
240.10081	0.9
244.13379	1.3
250.10753	18.5
252.13846	1.3
258.14700	1.7
268.13318	1.8
268.17047	0.8
270.14899	10.6
272.16470	2.8
288.16037	2.7
294.09717	26.6
294.13031	1.3
314.13898	2.6
314.17303	1.0
315.20712	3.3
316.19153	1.4
331.20090	4.7
332.15094	1.7
333.21729	13.3
345.10974	0.9
356.18503	1.7
357.02689	2.6
359.19980	1.3
370.72501	0.9
373.24997	2.8
375.19305	1.9
376.19608	1.7
377.20663	17.6
383.04370	1.3
398.36896	0.9
399.23227	1.1
401.05368	1.5
417.23880	17.1
427.03271	3.0
461.22833	72.2
462.23233	1.6
505.21848	100.0
506.21927	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03617	0.6
55.05504	2.7
57.07067	2.6
58.52062	0.6
67.05499	2.9
69.03420	1.9
69.07063	1.3
70.57748	0.6
70.58188	0.6
71.04997	2.1
71.25437	1.0
71.25758	0.9
73.52557	0.7
79.05504	1.4
80.29809	0.7
81.03415	1.4
81.07069	1.1
83.04987	5.8
85.02917	1.8
85.06547	100.0
91.05472	1.0
93.07040	3.5
95.08606	3.7
97.02891	2.3
97.06544	7.7
99.04455	0.7
103.07587	4.6
105.07026	1.5
107.33553	0.6
109.02885	2.2
109.10154	5.0
113.06008	0.9
121.10155	3.9
123.08065	4.0
123.60806	0.7
127.03931	3.3
131.08545	1.2
137.09622	1.1
139.11185	12.9
141.09119	1.3
142.31367	0.7
142.96590	0.6
145.04927	0.8
149.09647	4.4
155.10721	1.2
167.10687	44.5
181.69217	0.6
183.79092	0.7
203.12851	3.9
227.09288	1.0
245.10283	2.1
245.13925	1.2
280.55856	0.7
293.13733	1.2
299.15228	0.9
311.14926	4.6
329.15994	9.4
347.17056	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.05519	5.2
57.03437	1.3
57.07079	9.9
67.05505	7.7
69.03444	0.6
69.07083	4.8
69.54576	0.7
69.67970	3.3
71.04987	0.7
71.08635	6.3
75.06138	0.5
79.05514	3.7
79.63900	0.7
81.03425	20.2
81.07060	8.5
83.04984	0.8
83.08627	9.1
83.88007	0.6
85.10181	4.5
91.05473	4.7
93.07034	4.2
95.04977	5.7
95.08614	9.5
97.10165	4.7
102.86749	0.5
105.07024	3.4
107.04961	1.1
107.08622	1.4
109.06554	1.0
109.10165	3.9
111.08086	1.8
111.11723	0.9
117.07037	0.7
119.08582	3.5
121.06497	0.9
121.10163	2.2
123.11721	1.7
123.71716	0.6
125.09671	0.9
129.07019	2.9
131.08563	2.3
133.06494	1.0
133.10132	1.1
133.53514	0.6
137.13289	0.7
145.10069	0.7
147.11673	1.2
149.09605	1.0
157.10133	1.6
161.13101	0.7
164.56395	0.6
175.11183	2.7
176.40799	0.6
193.12254	10.2
195.09962	6.8
201.08170	0.6
239.23701	2.6
249.14851	2.3
251.12589	2.1
261.22058	0.8
311.25708	1.4
333.24130	0.9
373.14450	0.9
387.15909	1.5
388.16653	0.9
389.17627	1.1
391.19257	0.8
402.18521	0.9
403.19168	2.2
415.15399	1.6
415.69650	0.6
417.16299	3.0
417.21588	1.6
429.17212	1.4
430.17886	2.7
431.18396	2.3
445.20221	15.6
446.20712	9.1
462.20422	1.8
473.19971	0.9
477.22635	0.7
487.35544	0.7
505.22363	38.5
505.34204	100.0
506.22476	1.3
506.34766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01891	1.8
55.05516	11.5
57.03447	1.3
57.07081	34.8
65.03959	1.5
67.05508	31.3
68.11105	0.8
69.03429	1.5
69.07065	9.2
69.07373	0.9
69.58475	5.0
71.05015	1.8
71.08241	1.6
71.08633	26.1
71.09011	1.4
79.05498	14.3
79.05912	1.2
81.03423	76.3
81.07063	25.5
83.04995	3.9
83.08623	22.2
85.10184	13.2
91.05486	15.8
91.71497	0.7
93.07050	11.0
95.04976	19.8
95.08616	24.8
97.02921	0.9
97.06572	0.9
97.10169	6.0
99.08124	1.5
99.11716	0.9
105.07037	12.5
107.04963	5.0
107.08599	4.2
109.06557	1.9
109.10164	13.9
109.10841	1.1
111.04411	1.4
111.08099	5.3
111.11784	0.8
115.05483	1.4
117.07035	1.4
119.05039	1.2
119.08589	9.6
121.06546	2.4
121.10154	6.4
123.04436	0.9
123.08112	1.3
123.11718	3.5
125.09667	0.8
129.07019	8.1
131.08592	7.0
133.06528	2.6
133.10147	4.1
135.11761	2.6
137.09653	1.0
137.13332	2.4
142.07803	1.7
145.10155	1.1
147.08073	2.0
147.11697	4.6
149.09682	2.7
149.13286	1.0
151.11333	0.7
151.14767	0.9
157.10121	5.9
161.13304	1.1
161.55505	0.8
175.11192	6.9
179.14305	7.7
193.12259	40.8
212.04041	0.8
221.22835	0.9
239.23694	7.4
239.25810	0.8
249.14909	5.2
259.20630	0.8
277.21674	6.3
284.17474	0.9
322.90451	0.9
383.32440	0.9
505.39120	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22970	0.3
55.05513	0.4
56.44872	0.2
64.34294	0.2
65.03940	0.8
66.60928	0.2
69.03432	0.8
70.06593	0.7
71.52252	0.3
72.08147	0.4
81.03426	1.5
85.02531	0.2
85.02920	2.3
86.09721	0.4
86.80150	0.3
91.05492	6.5
97.02886	0.9
109.02881	0.8
119.04951	17.8
120.08190	0.3
127.03929	0.9
130.05122	0.2
137.05077	0.2
137.05949	1.5
145.04976	0.9
147.04420	100.0
148.04764	0.6
150.09125	0.3
155.07043	0.5
159.25465	0.2
161.05931	0.3
163.03940	0.6
163.06039	0.5
164.07072	1.7
165.04141	0.2
165.05478	4.8
193.05222	0.2
291.08603	1.6
309.09650	4.4
327.10873	0.7
506.25766	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.01889	0.4
57.03440	0.8
59.04996	0.9
61.02926	1.3
65.03932	0.6
69.03441	2.1
69.82022	0.5
69.82438	1.0
72.08166	0.3
77.03436	0.3
77.03901	0.3
81.03424	1.0
85.02908	9.7
87.04473	0.4
91.03959	0.4
91.05479	6.3
97.02884	2.8
99.04424	0.5
103.07587	1.0
109.02883	1.1
109.04132	0.3
117.03356	0.3
119.04943	17.9
123.04420	0.9
127.03890	2.0
136.07544	0.3
137.05966	0.6
145.04974	3.8
147.04408	100.0
148.04768	0.3
163.03882	1.1
163.06024	1.3
165.05475	48.3
165.11150	1.7
180.08765	1.7
197.34506	0.3
234.99246	0.3
248.14565	0.3
271.97070	0.3
309.09576	1.1
313.19901	0.3
344.13223	1.1
409.44296	0.3
464.30969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1499
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
53.03936	1.3
57.03445	0.7
61.08315	0.5
65.03930	1.1
67.05480	0.7
68.92162	0.4
68.99786	1.4
69.03415	2.4
69.07053	0.5
69.11984	0.5
71.01365	0.5
71.52416	0.7
77.03915	0.5
79.05476	1.8
81.03402	2.0
81.07056	1.5
85.02921	3.6
89.03915	4.9
89.40176	0.5
91.05488	5.8
93.03394	0.8
93.07037	1.0
94.04184	0.7
95.04958	2.9
97.02893	7.4
97.06523	1.4
105.03376	1.2
107.04965	4.7
109.02888	1.1
109.06502	1.3
110.03638	1.0
110.09673	0.5
111.04427	2.2
111.08058	0.5
117.03391	6.6
119.04933	2.4
121.02906	1.1
121.06506	3.4
123.04429	5.6
123.11665	0.8
125.05993	25.2
127.03893	1.8
127.87563	0.6
133.02806	1.2
134.78540	0.5
135.04414	14.0
137.05981	10.0
139.03893	2.2
139.07484	0.8
145.02849	11.8
149.05975	1.9
151.03902	7.7
151.07597	0.6
152.04704	5.1
153.05467	38.5
163.03903	100.0
165.05479	8.4
166.08684	1.1
167.07034	27.9
168.07353	0.6
181.04951	2.0
183.06537	49.1
187.07579	0.6
199.07620	0.9
207.06480	1.0
211.06067	0.7
307.08255	1.2
325.09149	8.9
380.09732	0.6
437.09338	0.6
489.19022	0.7
507.25931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99297	0.4
61.02943	0.5
69.03434	0.7
70.64485	1.1
85.02908	1.1
97.02911	0.9
98.97588	1.5
105.01814	0.5
112.79856	0.3
113.64841	0.4
127.03917	0.5
134.05704	0.4
137.06004	1.5
158.99704	0.8
161.45540	0.4
178.05014	0.5
187.04518	0.5
201.00746	0.7
219.01768	0.6
237.02855	0.4
261.55222	0.5
268.07056	0.9
271.15164	0.4
336.09644	2.5
349.09763	1.5
507.18430	100.0
508.18924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.202
Annotation	Methylrocaglate
Peak:m/z	Relative Intensity
50.97998	0.7
53.98101	0.7
55.01871	0.9
60.98072	0.8
62.02582	0.7
65.03943	1.0
65.54645	0.7
69.71980	4.3
69.72260	0.8
69.86214	0.7
79.05508	1.3
80.96439	0.8
81.03406	1.4
91.05487	16.3
93.60183	0.9
94.04202	2.5
95.04987	2.3
95.08598	0.9
96.92854	0.8
103.05468	2.1
105.07071	1.0
107.04987	1.2
109.06545	1.0
113.15482	0.7
115.05458	1.9
116.81921	0.8
119.04971	11.0
121.06539	1.5
122.03658	6.4
125.05994	0.9
128.06261	1.3
129.07018	2.2
131.04933	3.6
131.08609	1.0
131.13544	0.7
135.04449	0.7
136.05219	2.5
137.05991	100.0
143.04935	1.3
145.06465	1.7
149.05980	7.5
151.03990	1.5
151.07561	43.3
153.05487	1.7
153.06818	0.9
157.06544	1.0
160.05261	1.9
161.05995	3.3
163.07561	5.0
165.07013	1.7
168.49072	0.8
169.06613	0.7
172.05212	1.0
173.05995	1.3
174.06773	2.2
175.07565	9.2
177.05557	1.7
179.08636	0.8
181.06435	1.1
184.05292	0.8
187.07549	5.4
188.08287	0.9
189.09135	3.0
193.06593	1.3
195.08104	1.8
197.09569	1.0
199.07567	22.3
199.09387	1.2
203.08702	1.4
205.08759	1.8
210.06763	1.2
211.07574	3.0
213.09146	2.1
219.08167	1.7
221.05984	2.0
222.06841	1.1
223.07591	1.7
225.09230	1.2
227.10681	1.5
229.05067	1.0
231.08049	3.3
232.08748	1.1
235.07623	1.6
237.09001	0.9
238.06274	0.9
239.07021	1.0
245.09737	1.4
247.07527	1.8
248.08244	2.0
249.09235	1.1
251.10713	2.4
253.08691	3.4
255.10204	2.0
259.09668	3.7
260.08411	1.3
261.09198	1.8
263.06992	1.1
263.10913	1.7
265.08597	1.1
267.10178	1.7
271.09900	1.3
275.10876	1.1
276.07846	1.2
277.08582	4.2
277.11832	0.7
278.09448	1.0
279.10236	2.6
283.09589	0.8
285.11276	5.7
285.14328	0.8
287.12933	5.6
288.07800	1.1
289.08716	1.9
291.10165	9.6
293.08173	1.3
293.11618	1.3
294.08987	1.0
295.09512	1.5
297.11230	1.6
300.07974	1.0
303.10214	2.6
305.08362	1.5
305.11746	2.3
306.08978	1.2
307.09637	1.8
308.10504	0.8
309.11319	1.9
311.12802	2.9
315.10217	2.0
320.10443	1.8
321.11282	6.9
323.12863	8.8
333.11264	1.3
335.12817	10.6
337.14420	2.4
347.12805	4.1
351.12256	2.2
353.13715	1.6
365.13962	5.0
371.14890	1.5
383.14832	1.7
418.14087	8.4
419.14780	1.4
429.17148	1.1
431.14984	1.4
447.18860	0.9
459.18027	6.9
461.19720	1.9
471.18121	5.4
489.19019	5.8
507.21075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.8
52.64512	0.4
53.03942	0.7
55.01875	0.7
55.05508	1.2
57.03425	0.6
65.03934	2.4
66.04737	0.7
67.05492	1.0
69.03444	1.2
69.07072	0.8
71.52847	0.8
79.05500	1.8
81.03449	1.0
81.07071	2.9
83.05003	0.7
83.08625	0.8
83.13641	0.5
85.02911	1.1
85.06551	0.7
91.05489	8.1
93.03405	2.2
93.07057	1.4
93.62499	0.4
93.94608	0.4
94.04193	4.0
95.04973	1.6
95.08622	1.5
97.02901	0.5
100.11285	0.6
103.05476	9.4
105.07045	3.8
107.04961	1.3
107.08601	1.1
109.06528	1.6
109.10155	1.3
110.03710	0.7
111.04443	2.6
115.05466	1.8
117.07011	1.0
119.04953	2.5
119.08615	1.4
121.06522	2.8
121.10166	1.5
122.03652	7.6
123.04462	1.2
123.11765	0.7
125.06014	5.0
127.03916	0.6
128.06233	1.1
129.07011	2.3
131.04939	18.2
131.08556	0.5
133.02893	0.6
133.06494	1.7
133.10135	0.6
135.04466	0.9
135.08029	1.6
135.11720	0.5
136.05263	0.7
137.05989	100.0
138.06351	0.6
141.07002	0.7
143.04944	1.1
144.05724	1.0
145.06511	1.3
145.10135	1.2
146.03619	2.0
147.04465	1.1
147.08054	0.5
149.05992	5.4
151.03946	1.1
151.07564	14.3
151.08836	0.7
152.06244	0.6
153.05482	8.7
153.06937	1.3
154.07782	1.3
157.06465	1.2
159.04433	0.6
159.08044	2.7
159.11688	0.7
160.05217	2.8
161.05998	16.6
161.09656	0.6
163.03931	1.5
163.07561	12.3
164.06039	0.4
165.05508	1.8
165.07005	6.9
165.09137	0.9
167.07127	1.0
167.08563	2.0
169.06520	0.9
171.08203	0.6
173.05968	0.6
173.09702	0.8
174.06775	1.2
175.07556	24.6
177.05469	1.0
177.09134	1.5
178.07777	0.5
179.07123	0.7
179.08614	1.4
181.05038	0.6
181.06453	2.4
182.07298	3.5
182.15431	0.7
187.07549	11.2
188.08369	0.6
189.09163	3.1
190.07809	0.5
191.07127	1.1
191.08624	1.0
193.04863	0.7
193.06497	6.9
193.08389	0.7
194.07190	1.1
195.08093	2.3
196.08768	0.8
197.09607	1.2
199.07529	2.9
201.05438	0.8
201.09071	2.2
203.06996	0.8
205.06691	0.5
207.08090	0.7
208.09003	0.6
209.06033	0.7
210.06729	5.7
211.07593	1.9
212.08408	0.7
213.05658	0.6
213.09100	1.8
219.08142	1.1
219.10013	0.8
221.06010	12.3
222.06726	0.7
223.07607	1.1
224.08363	3.3
225.09120	11.2
227.07054	1.8
227.10706	1.6
229.08696	1.2
233.08139	1.5
235.07547	1.5
235.09807	0.5
236.08345	0.9
237.05569	1.1
238.06245	4.1
239.07095	1.6
239.10712	1.8
241.08571	0.9
242.09415	0.9
243.08711	0.5
247.07593	0.6
247.09689	3.1
249.09126	1.0
251.07042	0.5
251.10777	1.6
252.07819	2.7
253.08620	14.2
254.09369	1.0
255.06537	1.2
255.10228	2.0
256.07199	0.7
261.09207	1.1
265.08511	0.6
267.10196	6.7
269.08026	0.7
270.08777	2.2
271.09808	1.2
273.09091	0.8
274.10162	0.5
277.08777	0.8
279.10229	2.0
280.27612	0.5
285.11234	36.6
287.12933	3.9
289.08563	0.6
291.10229	1.1
293.11639	0.6
295.09497	0.5
297.11160	0.9
299.12994	0.5
305.11755	2.3
309.11237	0.8
309.21552	0.6
311.12830	1.0
315.10086	1.9
321.11230	1.0
323.12787	0.9
327.12289	1.7
333.11319	1.1
337.14346	9.5
339.12482	0.9
341.13879	1.2
347.12891	3.7
351.12155	0.7
355.15424	4.6
365.13858	10.2
371.14731	1.0
383.14951	5.1
439.15250	0.8
457.16595	0.9
461.19553	0.8
471.18170	1.6
475.17273	0.6
489.19147	11.8
507.20282	5.2
507.39215	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01874	1.1
55.05518	0.6
65.03938	2.4
66.04721	1.0
67.05527	1.0
69.03412	0.7
69.07055	1.1
69.38644	2.8
69.39054	1.1
74.28796	0.4
79.05486	2.2
81.03420	1.6
81.07050	3.3
83.04962	0.8
85.02880	1.1
89.83739	0.5
91.05487	20.8
93.07052	1.8
94.04186	3.4
95.04955	4.1
95.08599	1.7
97.02898	0.9
97.06536	0.8
100.26845	0.4
103.05486	2.9
105.07030	2.0
107.04955	5.6
107.08591	1.2
108.05733	2.2
109.02897	0.5
109.06527	3.0
109.10162	1.3
109.78101	0.5
115.05450	1.8
117.07016	1.6
118.04165	0.6
119.04951	12.4
119.08608	0.5
121.06496	2.8
121.10139	1.1
122.03653	6.3
123.04440	1.3
123.08048	0.9
123.11710	0.9
125.05998	1.1
127.03880	0.6
128.06213	1.1
129.06992	2.9
131.04930	4.3
131.08591	0.8
133.06482	1.0
135.04445	2.5
135.08073	1.1
136.05199	4.0
137.05983	87.0
141.06998	0.6
143.04938	1.2
143.08675	0.6
145.06473	2.0
146.03644	0.7
146.07300	2.6
147.04417	0.9
147.08076	0.7
149.05997	8.4
150.06743	1.4
151.07550	100.0
152.06245	0.8
153.05421	1.2
153.06894	0.8
156.05704	0.6
157.06479	1.7
157.10129	0.6
159.04372	0.7
159.08047	1.0
160.05232	1.4
161.06015	5.5
161.09695	0.6
161.13228	0.6
162.06714	0.8
163.03885	2.5
163.07545	7.1
164.08289	0.7
165.06984	2.7
165.09128	5.4
166.07811	0.9
167.07101	1.2
167.08582	3.2
168.05719	0.8
169.06459	0.6
171.08054	1.1
173.05977	0.6
173.13177	0.5
174.06746	1.5
175.07561	8.3
177.05515	1.3
177.09117	12.2
179.07130	0.6
179.08627	0.7
179.10678	0.5
181.06442	1.7
182.07300	1.1
183.07986	0.7
184.05226	0.7
185.06110	0.8
187.07536	5.3
189.09109	5.4
190.07799	0.6
191.08548	1.0
191.10696	0.9
193.06494	1.7
195.08095	6.6
196.08838	0.9
198.06755	0.6
199.07542	15.2
201.09087	1.7
202.07890	0.7
203.08594	1.1
203.10698	1.3
205.06572	0.6
205.08601	1.4
206.07304	0.6
207.08023	0.8
209.09642	1.1
210.06764	2.0
211.07521	2.2
213.09100	2.2
215.10660	1.1
217.08574	0.7
218.07181	0.6
219.08086	2.3
220.08809	0.7
221.06021	3.9
221.09685	0.5
223.07495	1.8
224.08287	1.3
225.09103	3.6
225.28494	0.5
227.07043	0.9
227.10675	5.3
229.04933	0.9
231.08028	2.0
232.08815	1.5
233.09703	0.8
234.06821	0.7
235.07549	1.2
237.05649	0.5
237.08978	0.8
238.06226	1.0
239.06998	1.0
239.10698	0.8
241.08537	1.4
241.12276	0.6
245.09639	1.0
247.07518	0.9
247.09721	0.6
248.08365	1.9
249.08983	1.6
251.06979	0.7
251.10712	3.0
252.07887	0.8
253.08623	4.5
254.09323	0.5
255.07910	0.8
255.10191	6.2
259.07458	0.8
259.09647	3.9
260.08334	1.0
261.09091	1.1
263.07126	0.7
263.10672	1.9
265.08649	1.3
267.10117	3.1
269.08047	1.1
269.11517	0.7
270.08838	0.9
275.10745	1.3
276.07718	1.3
277.08685	1.1
277.12064	0.9
278.09396	1.6
279.06470	0.5
279.10107	1.9
281.11566	0.6
283.09738	0.7
285.11279	8.7
287.12839	13.0
288.07620	0.8
289.08627	1.5
290.09259	1.0
291.10162	8.0
291.26907	0.7
292.10837	0.9
293.11765	0.8
295.09729	1.0
297.11221	1.4
299.12872	1.1
301.11285	0.7
301.14383	2.1
303.10275	2.5
305.08032	1.7
305.11743	2.2
305.15042	0.5
306.08936	1.1
307.09637	1.9
308.10541	0.9
309.11221	2.5
311.12781	2.7
313.14310	2.8
315.10028	1.7
320.10483	1.3
321.11221	5.9
321.14676	1.0
323.12811	8.9
325.14383	0.6
333.11194	1.1
335.12772	8.9
337.14288	2.3
342.56039	0.6
347.12906	2.4
351.12131	1.6
351.15845	1.1
352.12881	0.6
353.14029	0.6
365.13681	3.3
365.17819	3.1
371.14856	1.5
383.14789	1.9
403.11874	0.7
416.83136	0.5
418.14114	5.9
421.16556	0.8
429.20688	1.1
431.15060	1.1
433.85248	0.5
439.15259	1.2
457.20200	1.2
459.18033	6.3
461.19446	1.3
471.18082	2.4
489.18478	5.5
507.19601	3.2
507.29312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03980	1.0
54.30910	0.9
54.40910	0.9
57.03431	1.0
65.03938	2.0
67.05497	1.7
69.03424	2.3
69.07076	1.2
69.37740	5.7
69.38146	1.9
79.05473	2.4
81.03416	3.5
81.07052	2.5
83.04987	0.9
85.02907	1.8
85.06523	1.7
89.32955	0.9
91.05489	26.9
93.07016	1.6
94.04198	2.9
95.04952	3.5
95.08579	3.2
103.05455	3.3
105.07014	1.0
107.08561	1.3
109.02882	1.3
109.06488	1.4
109.10160	1.9
115.05488	1.6
117.07018	1.1
119.04945	16.8
122.03645	7.7
123.04425	1.3
129.06982	3.3
131.04947	4.4
135.04353	1.2
136.05176	2.3
137.05986	100.0
141.07033	1.2
143.04930	1.7
145.02895	1.0
145.06465	2.0
149.05994	13.0
151.03876	2.3
151.07550	50.5
153.05481	3.3
153.06958	1.7
157.06496	3.6
160.05217	2.4
161.05992	4.1
163.03889	3.1
163.07516	2.3
167.07104	1.5
170.07140	1.1
171.08142	1.1
175.07564	15.2
177.05418	1.8
177.09081	1.7
179.07019	1.0
181.06500	3.3
187.07574	8.1
189.09155	3.9
193.06535	1.1
199.07549	34.7
199.14780	1.0
203.08620	2.5
205.08598	3.9
210.06734	2.0
211.07565	2.4
213.09123	3.0
217.08530	1.9
219.07918	1.1
221.05981	1.9
225.09019	1.8
231.08020	4.9
241.08708	1.1
245.09720	2.0
247.07613	2.1
248.08282	3.8
249.09119	2.4
251.07036	1.0
253.08568	2.8
259.07452	1.9
259.09680	8.9
260.08353	2.3
261.09113	1.3
262.09998	2.3
263.10648	4.4
265.08673	1.4
267.10168	1.1
274.09982	1.2
275.06998	1.4
275.10593	2.7
276.07864	2.4
277.08496	5.0
277.66464	1.1
278.09433	1.6
279.06421	1.1
279.10059	1.4
283.09592	2.0
285.11215	7.8
289.08588	2.7
290.09268	1.8
291.10129	14.7
292.10776	1.5
293.08032	1.5
295.09406	1.4
303.10147	4.7
305.08167	2.3
305.11615	4.8
306.08963	2.1
307.09631	2.2
308.10504	1.7
309.11118	2.2
315.09958	2.4
320.10287	2.7
321.11316	13.4
322.11890	1.6
323.12790	17.9
335.12735	16.3
337.14270	3.2
347.12769	5.2
351.12134	3.2
352.13055	1.4
353.13766	1.5
365.13702	4.2
385.10605	1.2
411.16364	1.4
418.14188	8.5
459.17987	12.5
471.17953	4.2
489.19016	8.0
507.20328	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	507.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
54.95105	1.8
55.01891	1.8
55.05452	1.7
56.05038	2.4
57.03432	1.5
67.05515	2.0
69.03432	2.6
69.07106	1.5
70.06599	1.5
71.51465	1.7
79.05487	5.3
80.37109	1.5
81.03430	2.0
81.07047	2.8
84.04510	44.9
85.02904	4.7
85.06540	7.0
91.05473	16.2
92.77782	1.4
93.07041	3.1
94.04184	3.2
95.04968	4.0
97.02872	1.9
97.06521	1.9
101.07147	3.9
102.05521	2.5
103.05475	14.2
105.07048	10.7
107.04962	32.3
107.08617	2.5
109.06534	4.9
115.05467	5.5
117.07027	2.7
119.04960	16.0
121.06507	6.3
122.03632	3.9
124.07514	2.2
125.06004	3.0
129.07004	3.4
130.05011	76.3
131.04909	13.6
133.02808	2.3
133.06479	6.7
135.04468	1.9
135.08070	9.1
137.05989	75.1
145.06485	3.3
145.87062	1.6
146.03703	1.9
147.04439	13.4
147.07654	100.0
148.05103	2.3
149.05966	8.8
149.09596	1.9
151.03899	1.9
151.07561	25.9
153.05492	4.2
157.06456	2.1
161.05992	61.1
161.09619	14.8
162.06731	3.8
163.03926	16.8
163.07558	42.7
163.58949	1.5
164.07054	5.6
165.05412	3.3
165.09109	1.9
167.07076	4.3
167.10701	3.0
174.07004	1.8
175.07518	10.1
177.09079	2.0
179.07042	5.9
181.05060	2.0
181.08553	13.9
183.06531	4.4
186.99600	1.7
189.09119	33.2
193.04929	1.8
195.08060	4.0
206.70920	1.5
207.10178	55.2
219.10226	5.4
227.10600	5.1
235.07428	2.2
249.08998	1.7
253.08699	3.6
253.12292	4.0
255.10197	3.6
265.08575	2.3
275.10272	3.4
281.11700	2.3
285.11252	5.0
287.12833	12.9
297.11279	2.2
299.12750	4.3
311.12820	11.6
313.14221	17.0
321.11142	3.1
325.14374	2.4
331.15372	29.3
339.12238	1.6
343.15274	4.7
389.20029	1.9
450.68430	1.9
507.18317	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	507.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
54.95105	1.8
55.01891	1.8
55.05452	1.7
56.05038	2.4
57.03432	1.5
67.05515	2.0
69.03432	2.6
69.07106	1.5
70.06599	1.5
71.51465	1.7
79.05487	5.3
80.37109	1.5
81.03430	2.0
81.07047	2.8
84.04510	44.9
85.02904	4.7
85.06540	7.0
91.05473	16.2
92.77782	1.4
93.07041	3.1
94.04184	3.2
95.04968	4.0
97.02872	1.9
97.06521	1.9
101.07147	3.9
102.05521	2.5
103.05475	14.2
105.07048	10.7
107.04962	32.3
107.08617	2.5
109.06534	4.9
115.05467	5.5
117.07027	2.7
119.04960	16.0
121.06507	6.3
122.03632	3.9
124.07514	2.2
125.06004	3.0
129.07004	3.4
130.05011	76.3
131.04909	13.6
133.02808	2.3
133.06479	6.7
135.04468	1.9
135.08070	9.1
137.05989	75.1
145.06485	3.3
145.87062	1.6
146.03703	1.9
147.04439	13.4
147.07654	100.0
148.05103	2.3
149.05966	8.8
149.09596	1.9
151.03899	1.9
151.07561	25.9
153.05492	4.2
157.06456	2.1
161.05992	61.1
161.09619	14.8
162.06731	3.8
163.03926	16.8
163.07558	42.7
163.58949	1.5
164.07054	5.6
165.05412	3.3
165.09109	1.9
167.07076	4.3
167.10701	3.0
174.07004	1.8
175.07518	10.1
177.09079	2.0
179.07042	5.9
181.05060	2.0
181.08553	13.9
183.06531	4.4
186.99600	1.7
189.09119	33.2
193.04929	1.8
195.08060	4.0
206.70920	1.5
207.10178	55.2
219.10226	5.4
227.10600	5.1
235.07428	2.2
249.08998	1.7
253.08699	3.6
253.12292	4.0
255.10197	3.6
265.08575	2.3
275.10272	3.4
281.11700	2.3
285.11252	5.0
287.12833	12.9
297.11279	2.2
299.12750	4.3
311.12820	11.6
313.14221	17.0
321.11142	3.1
325.14374	2.4
331.15372	29.3
339.12238	1.6
343.15274	4.7
389.20029	1.9
450.68430	1.9
507.18317	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	507.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.0
56.52823	0.8
57.03419	1.1
57.07076	3.5
67.05510	3.1
69.03441	2.7
69.07069	1.4
70.97142	2.0
71.04990	2.7
71.36084	1.0
72.08137	1.6
79.05495	7.6
81.03420	2.7
81.07068	3.2
83.04982	7.2
84.04534	1.8
85.02919	2.7
85.06550	100.0
86.09725	1.3
91.05511	1.8
93.07069	4.5
95.04966	1.2
95.08624	3.0
97.02914	3.3
97.06536	7.3
103.07589	4.2
105.07030	1.8
107.04973	1.1
107.08598	14.1
109.02881	3.2
109.10167	5.3
112.77264	0.9
113.06008	1.4
121.10152	4.2
123.08082	3.7
125.05985	1.3
125.09657	3.4
127.03915	4.5
130.05042	1.9
131.08598	1.1
135.04424	1.0
135.08066	1.1
137.05962	5.6
137.09625	1.5
139.11186	12.3
143.10677	7.5
147.07713	2.4
149.09627	4.9
151.03943	0.9
151.07484	1.0
153.05473	1.4
161.06033	2.5
163.03920	5.9
163.07578	2.2
164.07080	7.3
165.07445	3.5
167.10684	41.7
179.07143	1.0
181.04921	1.0
185.11725	1.2
193.05084	1.4
203.12761	4.9
207.10234	1.1
245.10295	2.7
245.13942	2.2
293.14035	1.2
311.14886	4.0
329.15964	5.1
347.17065	13.4
471.25751	1.4
507.18457	1.7
507.25195	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	507.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73501	2.5
53.03932	8.5
55.01853	7.4
55.05515	30.2
57.03442	14.3
59.04977	4.7
65.03937	2.7
67.05190	4.7
67.05510	56.3
69.07073	13.0
71.04977	7.7
71.52534	3.1
73.06545	3.2
77.03934	3.0
79.05499	79.6
81.03422	14.7
81.07065	49.4
83.01337	9.6
83.04987	23.0
83.08644	14.2
85.02912	5.8
91.04985	4.3
91.05489	56.3
93.06497	4.9
93.07053	75.6
95.04964	20.3
95.08610	26.0
97.06503	7.6
97.10146	6.9
99.04462	3.4
105.04509	3.3
105.06409	3.9
105.07038	42.0
107.04976	13.7
107.08599	26.7
109.06521	8.5
109.10139	9.4
109.13489	2.7
111.04466	3.7
111.08071	5.0
117.07019	11.0
119.08592	31.4
121.06556	6.7
121.10143	12.7
123.08060	8.8
125.06073	2.6
128.06294	3.0
129.07024	17.6
130.07742	4.9
131.08562	7.3
133.10109	11.8
135.11681	9.2
137.05952	3.5
143.08563	5.6
145.10118	22.4
147.11700	33.2
153.12730	3.4
159.11754	2.5
161.09648	6.4
161.13237	10.1
163.11151	23.5
171.11732	22.7
181.12224	4.7
189.12694	14.0
200.22794	2.8
207.13821	31.2
209.11726	9.3
223.13268	4.5
227.12755	6.7
265.14230	3.3
281.17471	40.5
283.15424	63.1
302.19681	2.7
307.28448	2.7
420.04150	3.0
471.27179	3.5
489.28467	100.0
507.20062	3.9
507.29303	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	507.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	28.8
57.03430	6.4
57.07082	17.4
59.05009	3.3
65.03952	4.4
67.05512	100.0
69.03423	2.3
69.07077	22.0
71.04988	2.3
71.08649	9.3
71.52498	2.5
74.83008	1.8
78.07741	1.8
79.05500	32.6
81.03437	2.6
81.07064	72.3
83.04990	3.1
83.08627	15.9
85.06531	4.5
85.10181	3.3
91.05489	27.1
93.07052	41.8
95.04995	3.4
95.08062	3.4
95.08620	42.7
97.06544	5.2
97.10183	13.7
105.07050	16.9
107.08614	26.4
109.06519	2.6
109.10165	67.5
111.08099	4.6
117.07032	6.1
119.08587	20.4
121.10159	19.8
123.11731	10.0
125.09654	7.7
129.07039	3.5
131.08569	14.5
133.10132	15.0
135.08049	2.9
135.11694	13.4
137.09682	4.2
145.10129	10.3
147.11722	9.7
149.09625	2.5
149.13307	11.7
155.10738	3.8
159.11739	13.1
161.13199	5.3
163.14867	4.0
171.11671	3.1
173.11757	15.1
173.13310	7.5
177.12802	2.1
187.14830	3.9
189.11237	5.8
195.00368	2.6
195.13762	3.3
197.13377	2.3
227.12827	13.0
229.14384	39.8
231.15771	2.2
243.21049	4.4
261.22128	24.4
284.59180	2.3
317.24854	3.4
335.25818	24.1
379.29782	2.5
397.31158	5.7
415.31949	7.7
433.33060	7.2
471.34628	3.2
489.35806	50.7
507.26666	4.3
507.36835	28.4
507.39456	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	507.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	28.8
57.03430	6.4
57.07082	17.4
59.05009	3.3
65.03952	4.4
67.05512	100.0
69.03423	2.3
69.07077	22.0
71.04988	2.3
71.08649	9.3
71.52498	2.5
74.83008	1.8
78.07741	1.8
79.05500	32.6
81.03437	2.6
81.07064	72.3
83.04990	3.1
83.08627	15.9
85.06531	4.5
85.10181	3.3
91.05489	27.1
93.07052	41.8
95.04995	3.4
95.08062	3.4
95.08620	42.7
97.06544	5.2
97.10183	13.7
105.07050	16.9
107.08614	26.4
109.06519	2.6
109.10165	67.5
111.08099	4.6
117.07032	6.1
119.08587	20.4
121.10159	19.8
123.11731	10.0
125.09654	7.7
129.07039	3.5
131.08569	14.5
133.10132	15.0
135.08049	2.9
135.11694	13.4
137.09682	4.2
145.10129	10.3
147.11722	9.7
149.09625	2.5
149.13307	11.7
155.10738	3.8
159.11739	13.1
161.13199	5.3
163.14867	4.0
171.11671	3.1
173.11757	15.1
173.13310	7.5
177.12802	2.1
187.14830	3.9
189.11237	5.8
195.00368	2.6
195.13762	3.3
197.13377	2.3
227.12827	13.0
229.14384	39.8
231.15771	2.2
243.21049	4.4
261.22128	24.4
284.59180	2.3
317.24854	3.4
335.25818	24.1
379.29782	2.5
397.31158	5.7
415.31949	7.7
433.33060	7.2
471.34628	3.2
489.35806	50.7
507.26666	4.3
507.36835	28.4
507.39456	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	507.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86320	0.9
51.02381	1.1
53.03953	1.9
54.44840	1.0
55.05517	9.8
57.03426	3.1
57.07081	27.7
65.03957	1.2
67.05509	34.6
69.07072	15.1
69.50392	7.9
71.04977	1.5
71.08633	21.0
79.05499	19.6
81.03419	1.2
81.07060	49.7
82.28434	1.1
83.04972	3.4
83.08627	13.2
85.06552	1.4
85.10184	9.7
91.05499	10.9
93.07050	24.0
93.07635	1.4
95.04997	2.5
95.08611	24.5
97.06557	5.9
97.10152	6.0
98.21490	2.4
99.08089	1.7
105.07041	2.7
106.41434	1.1
107.08611	13.6
109.10175	10.6
111.08088	1.6
117.07013	3.3
121.10138	8.0
123.11703	3.3
131.08572	3.6
133.10144	2.6
135.11678	5.9
137.13338	1.6
149.13255	19.8
151.14822	1.4
159.11728	6.5
177.12801	3.9
190.41710	1.1
195.13788	8.4
213.14845	2.1
239.23787	7.1
289.52286	1.1
303.10480	1.2
471.10190	1.2
489.35904	1.9
507.40509	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	508.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31543	0.8
55.01867	1.1
55.05489	0.9
57.03435	1.5
59.76821	0.8
61.02923	1.4
67.05505	2.2
68.99787	2.2
69.03436	4.7
71.04997	2.6
79.05502	2.6
81.03419	1.7
81.07055	1.8
83.04992	1.1
84.08167	1.1
85.02911	17.7
91.03955	1.0
91.05497	2.8
93.07103	0.9
95.04976	2.3
95.12478	1.0
97.02885	4.8
97.06524	1.1
99.04475	1.8
105.03422	1.1
107.04976	2.2
109.02880	2.4
109.06499	2.0
109.10118	0.9
111.04443	4.0
119.04994	1.1
119.08619	1.1
121.06564	1.7
123.04442	7.3
125.06002	18.8
127.03924	3.2
133.02847	1.6
135.04413	2.7
137.05998	22.2
137.09663	1.4
138.43413	1.1
139.03912	7.2
145.04970	3.5
147.04439	5.6
148.04752	2.2
149.04945	0.9
151.03925	13.8
152.04666	3.4
153.05481	50.5
153.58141	0.9
155.10690	1.7
165.05498	47.1
166.01431	0.9
166.05814	1.2
167.07050	45.7
183.06549	100.0
190.15802	0.8
209.08058	2.0
225.14845	1.7
266.13541	1.1
345.11777	11.4
508.21664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2362
Annotation	Difluprednate
Peak:m/z	Relative Intensity
51.75830	0.9
55.01848	0.9
55.05500	3.7
55.58487	0.8
56.44427	0.9
57.07061	1.4
67.05495	4.0
69.03425	2.1
69.07058	3.0
71.04984	0.8
71.52483	1.0
79.05501	3.7
81.03416	1.4
81.07064	7.1
83.08622	2.7
85.02903	1.7
85.06557	1.6
91.05485	3.2
93.07037	5.8
95.04954	1.7
95.08616	6.4
97.02899	1.0
97.06534	1.0
97.10194	1.4
105.07048	3.6
107.08601	3.3
109.02899	1.5
109.06570	1.4
109.10200	5.3
111.04472	0.8
119.08616	1.2
121.10155	2.6
123.08109	1.0
123.11730	2.3
125.06002	1.5
127.03963	1.6
129.07013	1.0
131.04919	1.1
131.08687	1.1
133.10161	2.0
135.04543	0.9
137.05980	7.6
145.10097	1.0
149.13223	1.6
151.03912	1.6
151.07611	1.9
161.05994	1.4
163.07622	0.9
167.03137	1.1
167.07111	1.2
203.05299	2.9
227.05336	1.2
243.04848	5.1
243.17340	0.9
245.06335	5.3
261.18292	3.5
271.04279	1.8
287.03732	45.8
289.05304	57.3
293.28348	1.1
339.09384	0.9
376.03958	0.8
423.23492	1.1
434.03595	1.1
447.23697	3.7
465.24521	4.6
491.22525	100.0
492.22961	1.5
509.23712	52.4
539.74365	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2361
Annotation	Difluprednate
Peak:m/z	Relative Intensity
53.03910	0.8
55.05500	1.8
57.07059	0.7
65.30353	0.4
67.05511	3.2
69.03418	0.9
69.07050	1.4
70.68153	1.2
70.68541	1.1
75.83701	0.5
79.05501	2.5
81.03419	1.0
81.07062	3.9
83.04958	0.8
83.08613	0.9
85.02898	0.7
85.06564	0.7
91.05500	1.8
93.07050	3.0
95.04949	0.7
95.08619	3.2
97.06491	0.8
97.10191	1.2
105.07021	1.5
107.04957	1.6
107.08607	2.0
109.02874	0.5
109.10162	2.2
119.08575	1.4
121.06535	1.2
121.10159	1.3
123.11746	0.9
126.21763	0.5
127.00008	0.7
133.10155	1.4
135.11752	0.9
137.05939	2.7
143.08482	0.7
145.10178	0.5
149.13310	0.6
151.07475	0.7
211.23454	0.5
243.04727	0.9
245.06293	1.2
261.18317	1.3
270.99545	0.6
287.03799	2.5
289.05307	7.1
296.65567	0.6
349.50531	0.7
349.54822	0.7
405.22595	0.6
423.23584	1.7
434.41443	0.5
447.23474	4.9
459.27353	1.2
465.24588	22.1
477.28452	0.9
491.22565	27.1
509.23627	100.0
510.23825	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
67.05482	2.0
69.07042	1.4
70.02585	2.5
71.04999	4.4
79.05466	1.6
81.07068	5.7
83.08614	0.7
85.02909	0.8
91.05453	1.3
93.07043	1.2
95.08616	4.6
105.07038	1.3
107.04942	0.7
107.08562	0.7
108.18076	0.5
109.06517	0.6
109.10132	1.5
110.45911	0.5
111.08046	0.6
113.29816	0.6
119.01932	0.8
119.08571	0.8
121.10147	1.0
127.03960	0.7
133.10141	1.0
133.36650	0.5
137.05981	1.3
143.01909	1.2
145.10115	0.9
151.07544	1.3
157.03462	1.0
161.09641	0.6
163.11252	0.6
193.12254	0.7
203.05417	2.8
209.11786	0.6
214.04651	0.6
227.05258	1.5
227.12794	1.0
245.06290	7.7
271.04269	1.1
273.07562	0.9
283.15451	0.9
287.03751	8.1
289.05313	100.0
375.80536	0.6
407.04300	0.5
423.23431	0.6
465.24417	5.0
509.23599	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01878	1.5
55.05517	6.0
57.03432	2.5
57.07061	1.1
67.05515	9.0
69.03413	2.1
69.07079	9.4
71.04984	1.6
71.10368	1.0
73.05766	0.8
75.54473	0.7
79.05504	7.0
81.03402	3.6
81.07066	17.4
83.04962	3.5
83.08640	4.6
85.02908	3.5
85.06561	4.0
91.05488	7.2
93.07058	8.5
95.04959	4.9
95.08607	12.3
97.02891	1.9
97.06532	2.4
97.10177	6.2
105.07038	5.0
107.04948	3.3
107.08601	6.6
109.06514	3.2
109.10161	5.8
111.04459	1.3
111.08068	1.9
111.11711	0.8
115.05486	1.1
117.02999	0.9
117.07021	2.5
119.04962	1.0
119.08591	4.5
121.06506	3.5
121.10137	3.3
123.08080	1.8
123.11740	3.8
125.06010	0.9
125.09641	3.9
129.07014	1.6
131.08548	3.0
133.10135	2.8
135.08075	1.8
135.11761	2.1
137.05981	4.7
137.09555	0.9
138.06345	1.4
139.11182	1.1
145.06506	1.4
145.10155	2.9
147.04514	1.2
147.11696	1.9
149.09558	1.2
149.13266	2.4
151.07545	2.7
157.84479	0.8
159.11723	1.1
161.09592	1.0
163.11183	2.2
167.10658	1.7
173.09572	0.8
185.13242	1.1
187.11298	1.0
189.09044	1.1
189.11230	2.0
189.12851	0.9
193.12247	1.7
199.13162	1.0
209.11781	3.4
211.13261	1.7
219.13806	3.0
227.12805	2.8
233.15404	1.8
243.04758	3.8
245.06209	1.8
255.13683	1.1
261.18286	3.9
271.04398	1.5
273.17169	1.2
275.27289	0.9
281.28284	1.6
283.15399	1.4
287.03748	25.0
289.05338	27.3
293.17371	1.6
293.28653	1.9
311.29691	1.0
367.22635	4.0
385.23660	4.0
403.24707	1.0
423.23706	1.9
424.51395	0.8
447.23361	3.9
459.27283	6.6
465.24667	17.0
477.28732	4.3
491.22510	34.7
509.23590	100.0
510.23969	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45594	2.3
54.21671	2.3
55.05510	21.0
57.07072	9.0
65.03931	3.9
67.05510	27.7
69.03418	3.8
69.07072	48.8
70.56586	7.3
71.08629	5.2
75.42815	2.6
76.93585	2.7
79.05505	12.7
81.03418	5.8
81.06593	5.6
81.07059	91.1
83.04977	2.8
83.08619	28.3
85.02905	15.2
85.06535	13.9
90.43032	2.6
91.05473	5.8
93.07055	21.7
95.03401	2.1
95.04984	4.8
95.08609	100.0
97.02866	3.5
97.06521	6.0
97.10163	23.1
99.08105	9.3
105.07019	8.5
107.04973	2.7
107.08595	21.2
108.99394	2.4
109.02887	3.3
109.06487	4.3
109.10165	56.6
111.04462	2.4
111.08127	3.4
111.11749	17.5
119.08553	3.9
121.10170	10.2
123.11723	31.1
125.13269	9.4
127.03928	3.6
127.11254	3.1
129.12781	4.2
131.08611	3.6
132.30693	2.4
133.10106	5.8
135.11693	8.7
137.06007	11.8
137.13274	21.6
138.06258	2.9
145.10197	3.5
147.11612	3.9
149.13280	20.0
151.07535	12.8
151.14838	23.4
152.07881	6.8
153.12665	4.6
157.15932	3.1
159.11754	3.3
163.07498	2.4
163.14832	8.7
165.16396	10.2
167.14333	5.6
169.15828	4.2
177.09100	3.0
177.16411	2.6
179.17963	4.1
189.09167	3.3
191.10498	3.1
191.18065	3.8
199.20627	4.2
205.19536	3.7
209.11682	3.9
211.13240	3.1
219.21152	5.4
237.22098	3.7
245.06317	5.9
275.27393	12.4
281.28497	5.2
287.03827	9.0
289.05304	78.8
293.28409	30.1
311.29495	9.1
329.30725	3.6
383.52637	2.4
465.24777	10.5
491.22485	7.6
493.45065	2.7
509.23587	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97067	1.7
53.03943	2.1
55.05284	2.0
55.05515	22.7
57.07079	11.4
65.03933	2.2
67.05508	31.7
69.03402	3.4
69.07070	56.3
71.04984	3.3
71.08615	5.7
71.48773	3.5
79.05495	12.8
81.03391	2.4
81.07058	93.8
81.97328	1.8
83.08168	2.1
83.08622	34.4
85.02902	9.7
85.06543	15.1
85.10165	3.3
91.05455	10.7
93.07055	17.6
95.04996	2.2
95.08610	100.0
97.02892	2.6
97.06526	4.0
97.10165	20.7
99.08099	11.3
100.93149	1.9
105.07031	5.1
107.08598	21.8
109.02827	3.4
109.06525	2.3
109.09380	2.9
109.10159	59.3
111.08079	3.3
111.11729	20.4
113.09571	2.6
119.08546	3.4
121.06466	2.1
121.10139	10.4
123.08038	2.3
123.11700	28.2
125.13274	9.0
127.11227	8.9
129.07048	2.2
131.04942	2.4
133.06493	2.5
135.11703	11.4
135.14893	2.1
137.05980	9.7
137.13258	17.5
139.07585	1.8
139.14793	3.6
143.14284	7.8
149.13260	16.0
151.07538	11.2
151.14819	29.4
153.12735	7.3
159.11597	1.9
161.05997	7.2
163.14835	10.8
165.16367	11.1
167.07036	2.2
169.15837	4.6
169.82800	2.0
171.13799	2.3
173.15312	2.4
176.08372	12.9
176.58261	2.0
177.09171	2.9
177.16399	5.8
179.17920	6.3
183.17461	2.5
193.19530	4.0
197.18959	5.0
205.19478	3.8
209.11763	2.5
219.21004	5.4
225.22154	2.1
225.49069	1.9
227.12427	1.8
237.22060	3.3
255.10379	2.5
269.11703	3.9
275.27216	10.8
281.28381	9.9
287.03613	6.5
289.05270	5.7
293.28433	27.5
306.77090	1.7
311.29428	24.4
329.30484	5.6
372.15604	6.8
445.20581	2.0
491.21036	3.2
509.23431	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	509.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00087	2.9
53.03949	7.8
55.01865	3.8
55.05513	25.1
57.03431	5.3
57.07079	16.1
65.49957	2.7
67.05513	35.4
69.03438	11.8
69.07071	39.5
69.20540	17.5
69.20962	11.4
71.01372	3.4
71.04991	6.9
71.08645	3.6
79.05501	26.1
79.83408	3.0
81.03422	22.7
81.07064	100.0
83.04993	6.0
83.08628	34.4
85.02914	23.8
85.06541	10.8
91.05475	25.5
93.07061	30.3
95.05001	14.6
95.08615	79.8
97.02914	4.6
97.03926	2.8
97.06550	7.4
97.10174	20.4
98.20778	5.6
99.04470	3.9
99.08095	10.5
101.06038	3.4
101.25926	2.7
103.05492	6.9
103.71172	2.8
105.07065	15.0
107.04961	5.4
107.08601	27.6
109.02840	3.4
109.10165	56.0
111.04431	3.5
111.08117	9.0
111.11745	14.6
115.05465	3.1
115.33202	3.0
117.07041	3.7
119.04953	3.1
119.08591	13.4
121.06507	7.6
121.10206	17.5
122.03608	7.1
123.08025	3.5
123.11722	31.6
125.05972	3.6
125.09659	6.1
125.13283	13.1
127.03928	6.4
127.07571	3.4
129.07042	5.0
131.04944	9.1
131.08598	6.4
132.05266	4.8
133.10184	14.4
135.11694	11.9
137.05995	64.7
137.13255	26.6
138.06296	14.7
143.08580	3.4
145.04976	4.9
145.10147	6.4
147.04369	4.4
147.08098	3.8
147.11705	9.8
149.13289	24.9
151.03885	6.6
151.07539	17.2
151.11174	4.9
151.14868	7.9
152.07858	3.5
153.05515	4.9
154.33066	3.1
155.14346	6.6
157.06528	4.0
157.10068	4.1
159.11711	5.5
161.05975	12.1
161.09651	5.7
163.03954	4.6
163.07552	8.6
163.14862	8.4
165.16338	7.5
167.07124	3.5
167.14305	13.3
169.15889	4.6
175.07605	7.1
179.18018	6.4
183.17575	4.1
187.07574	5.2
189.09114	11.8
193.12265	12.8
195.10172	7.0
207.06564	3.4
211.13359	14.8
221.06107	3.3
225.11305	4.8
225.22134	7.3
237.22600	3.1
242.90341	2.9
253.08601	4.7
265.08725	4.9
275.27307	13.9
285.11349	6.1
286.11526	4.6
287.11874	5.1
293.28436	35.0
297.11481	4.5
311.29517	6.0
334.51016	2.9
491.20096	5.0
509.19785	4.5
509.28418	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24897	0.3
53.03934	1.7
55.01869	1.8
55.05503	1.1
56.11642	0.4
57.03437	0.8
57.72094	0.4
61.02916	0.9
61.72597	0.3
65.03948	2.4
67.05504	0.8
69.03432	4.7
69.07064	0.8
71.04991	1.0
71.52417	0.6
73.02913	1.8
79.05467	0.6
81.03416	4.4
81.07059	2.1
83.08604	0.7
85.02908	12.3
85.06556	0.5
87.00828	4.4
91.05482	100.0
94.07388	0.4
95.08617	1.2
97.02296	0.7
97.02892	8.6
99.04439	3.0
100.11260	1.9
105.01867	4.8
105.07033	1.2
107.08593	0.9
109.02872	5.4
115.03957	0.5
117.07067	0.5
123.11703	0.7
127.03917	10.4
129.01888	0.5
137.06010	1.6
143.08597	0.4
145.04955	6.3
145.06471	0.5
145.10027	0.4
147.02997	0.6
151.07607	0.8
159.02914	3.6
167.03406	3.7
182.15421	0.7
195.06567	0.7
210.15048	0.6
211.15401	0.4
213.04008	1.0
217.08676	0.8
222.58414	0.4
227.07135	0.9
231.05013	1.9
245.08081	2.0
309.08118	0.5
321.10101	0.5
336.19547	0.4
478.15799	0.6
509.40646	0.8
510.18112	0.7
510.41165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01876	5.9
55.05516	1.8
56.74010	1.0
57.03425	3.5
57.13264	1.1
61.02934	2.7
65.03929	2.3
67.05493	3.4
68.99791	1.4
69.03429	12.7
69.07069	1.5
71.04986	3.6
73.02923	3.2
79.05491	3.2
81.02986	1.5
81.03422	14.3
81.07053	4.2
83.04978	1.0
85.02909	35.0
87.00835	15.8
91.05486	100.0
93.07043	2.1
95.05006	1.2
95.08571	2.2
96.49847	0.9
97.02895	30.1
98.21516	3.3
99.04464	8.3
105.01871	13.8
105.07042	2.1
107.04951	2.7
107.08570	1.5
109.02885	11.6
109.10152	1.8
117.01890	2.5
118.00713	1.1
121.10126	1.2
123.08013	1.2
127.03923	36.6
129.01778	1.3
133.06474	1.1
145.04965	24.3
145.10110	1.4
147.02930	1.4
153.41502	1.1
159.02902	11.1
175.07440	1.2
201.03839	1.1
204.56738	1.2
213.03917	1.2
231.04961	5.3
245.08099	4.2
460.28061	1.8
466.24802	2.3
478.28659	1.4
510.23862	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	510.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75257	1.1
52.63500	1.1
55.01860	2.4
57.03439	8.1
61.02925	1.3
63.10712	1.0
65.35490	1.1
69.03413	4.7
70.43652	1.3
71.04999	70.5
71.11792	2.2
72.08139	1.2
73.02914	2.6
73.99260	1.0
75.04469	4.4
79.05492	2.9
81.03423	2.3
83.04977	6.3
85.02911	100.0
87.04453	3.8
91.05467	1.9
97.02897	6.8
99.04459	1.8
107.04993	6.8
109.02898	1.5
111.04422	4.6
112.89149	1.1
119.04882	1.7
123.04420	2.9
127.03913	4.7
129.05492	42.1
135.04431	7.9
137.05977	6.7
143.04849	1.3
145.04926	5.1
145.06540	1.6
147.04364	1.1
147.06528	20.0
149.05992	3.0
153.05478	19.5
161.05936	2.0
163.03891	4.5
164.09192	1.9
167.07033	2.8
173.05978	1.5
175.07520	2.5
177.05513	10.1
179.06999	1.3
185.06139	1.4
189.05495	2.6
203.07021	2.8
205.08603	1.7
207.06560	1.5
211.06020	1.6
217.08517	1.9
219.06549	3.4
245.08156	3.4
255.08427	1.5
263.09085	3.1
277.10672	2.0
281.10242	3.8
299.11298	1.7
309.11646	2.0
331.14340	1.2
342.16330	1.7
347.84036	1.1
385.47379	1.2
510.18298	1.2
510.26480	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
53.03955	3.2
55.05503	2.3
57.03435	3.3
61.02913	1.1
62.38413	0.7
67.05509	1.6
69.03434	14.3
70.56947	1.4
71.04998	3.4
73.02921	0.8
75.04486	4.8
77.03899	1.0
79.05499	13.1
81.03421	11.5
81.07048	4.6
83.04980	1.4
85.02908	8.8
91.04928	0.6
91.05489	13.3
93.07047	78.2
95.04989	3.3
95.08601	3.7
97.02889	8.1
97.06516	1.0
99.04456	2.8
103.05476	0.9
105.04510	1.4
105.07040	7.0
107.04949	1.6
107.08595	15.5
109.02908	4.3
109.06512	1.0
109.10149	1.1
111.04444	2.5
111.08102	4.4
116.06203	0.9
117.03392	0.9
117.06998	1.2
119.04961	1.6
119.08586	22.8
121.06548	1.7
121.10148	100.0
123.08098	1.3
123.11740	1.4
125.05968	1.4
127.03914	6.1
129.05476	2.1
129.07007	1.1
131.08598	6.3
133.06564	1.1
133.07582	0.9
133.10149	1.2
135.11662	0.7
137.06000	4.1
139.11172	4.3
145.04965	3.0
145.10167	0.7
147.04433	7.9
147.08035	0.8
149.09627	35.7
159.08061	0.9
163.03903	2.7
165.05608	0.8
165.09221	1.4
167.10686	32.4
167.12114	1.7
175.07585	1.1
175.11250	0.9
185.09737	0.7
189.09123	1.1
191.10605	0.7
199.07576	0.9
213.12691	1.0
247.13348	0.9
267.17545	0.7
283.15427	2.8
293.13855	13.2
295.13248	0.9
311.14902	24.0
313.14487	0.7
313.17984	1.9
323.18680	1.1
331.18933	3.9
363.72498	0.6
364.87332	0.7
415.10687	1.3
457.18668	1.8
468.76776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.5
57.03442	2.0
57.06801	2.4
57.07079	38.6
61.02925	3.1
67.05508	12.3
69.03439	2.3
69.07069	8.7
70.56924	4.8
71.08247	1.8
71.08635	34.9
74.09711	2.1
75.04456	2.6
81.03440	1.9
81.07061	20.9
83.08620	12.4
85.02909	5.8
85.10190	17.1
95.08621	28.5
97.02873	2.7
97.10162	5.7
99.11678	1.7
101.29675	1.6
109.10169	11.5
111.11758	2.0
123.11712	4.7
137.13219	2.4
239.23692	31.1
257.24689	4.9
266.93890	1.7
313.27383	100.0
331.28412	18.5
342.36874	1.6
383.27875	4.0
401.29071	11.3
462.58118	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	511.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96780	1.7
55.01855	2.3
55.05505	3.3
65.03928	2.2
67.05500	3.4
70.02696	6.1
71.04971	2.2
79.05482	6.3
81.03396	4.7
81.07047	7.2
85.02898	3.2
91.05473	5.5
93.03393	2.3
93.07020	4.3
94.04162	2.4
95.04969	3.9
95.08602	3.1
97.02932	1.8
97.03558	1.6
98.03659	1.6
103.05447	3.3
105.07004	7.0
107.04948	2.7
107.08593	2.8
109.06496	2.0
109.10163	2.2
111.04428	2.5
113.91451	1.6
115.05457	5.7
117.07066	4.5
121.06482	4.1
121.10154	2.5
122.03642	5.7
123.04437	2.6
123.08103	2.0
125.06004	2.1
127.03914	1.8
128.06250	2.3
129.06976	3.5
131.04907	3.7
133.06462	4.1
133.10201	2.0
136.06097	2.3
137.05986	100.0
139.03917	4.7
140.59087	1.8
141.06982	2.2
143.04895	5.3
144.05669	2.1
145.06468	5.5
147.08063	2.3
151.03893	16.4
153.05434	5.0
154.02571	4.5
154.06245	5.1
157.06427	3.5
160.05208	5.9
161.06023	13.4
167.07076	3.2
169.04987	13.2
173.06081	3.0
175.07549	27.1
187.07523	9.5
189.09132	4.3
196.05190	2.1
199.03831	2.1
205.08530	5.8
233.08015	3.0
237.09268	2.7
242.05740	2.8
249.09058	2.4
257.08133	6.8
289.10718	14.5
293.11572	1.8
295.13333	1.8
297.11319	3.1
299.12744	6.3
321.11096	2.3
327.12253	12.9
339.12238	6.2
357.13779	3.9
369.13290	3.1
422.13293	3.1
475.17096	3.3
479.17249	4.0
493.18445	4.8
493.28214	2.4
511.19168	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	511.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43866	0.6
55.01867	0.6
55.05489	0.6
65.03921	1.2
66.04716	0.8
67.05504	0.7
70.80804	1.6
79.05492	1.6
81.03407	0.8
81.07046	1.6
91.05479	7.4
93.07037	0.9
94.04224	3.6
95.04946	0.9
103.05465	3.6
105.07032	2.4
107.04965	1.2
109.06564	0.6
110.59661	0.6
113.49826	0.6
115.05456	0.7
117.06997	1.3
119.04953	3.3
121.06552	1.7
122.03669	9.5
123.04426	1.1
123.08036	0.9
128.06206	0.9
129.07008	2.7
131.04933	5.7
131.08533	0.7
133.06499	1.6
135.04488	0.7
135.08049	0.8
136.05228	0.9
137.05984	100.0
141.06934	1.4
143.08604	0.9
145.06526	1.8
146.03636	0.6
149.05983	2.6
151.07553	24.6
157.06496	1.0
159.08162	0.8
160.05293	0.7
161.05997	2.7
163.07549	12.8
165.06981	3.6
165.09123	1.7
167.08560	2.3
169.06459	0.8
171.08061	1.5
173.06076	0.6
174.06801	1.9
175.07603	3.5
177.07045	0.7
177.09120	1.7
181.06538	1.3
182.07280	1.2
187.07571	2.2
189.09148	4.0
191.08591	0.8
193.06570	2.9
195.08058	4.0
196.08844	1.2
197.05934	0.6
197.09578	0.8
199.07588	1.1
201.09174	2.0
203.08849	0.9
203.10666	5.7
207.08168	0.8
209.06136	0.8
209.09601	1.0
210.06769	2.8
211.07433	0.7
213.09218	0.6
219.08131	0.6
219.10153	0.7
221.06059	3.6
221.09511	0.9
223.07541	2.2
224.08347	2.2
225.09125	2.9
227.07173	1.0
227.10657	5.2
231.08214	0.8
235.07477	1.2
237.09038	1.3
238.06270	1.7
239.10565	0.8
249.09155	1.1
251.10709	1.3
252.07878	1.2
253.08615	4.4
255.06487	0.7
255.07710	0.6
255.10193	5.9
261.09314	1.0
267.10086	4.0
269.11569	0.7
279.10019	0.9
281.11664	0.9
285.11255	11.5
287.12836	12.1
293.11917	0.9
299.12854	0.9
305.11813	2.0
307.13327	1.1
313.14374	3.5
319.13275	0.7
325.14453	1.4
337.14383	1.3
351.15991	3.7
367.39008	0.6
415.19031	2.4
443.18594	1.5
475.21201	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	511.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80901	5.2
53.03934	10.2
55.01872	15.9
55.05514	15.3
57.03444	7.1
65.03936	12.5
65.32853	5.1
67.05505	46.9
69.03427	27.7
69.07060	12.6
69.69993	30.5
71.01340	6.9
71.04986	25.6
71.41931	5.4
74.32938	5.9
75.93091	6.2
79.05490	54.8
81.03429	33.2
81.07053	100.0
83.04977	34.1
83.08636	7.3
85.02907	26.1
85.06565	7.3
91.05495	49.8
93.07044	81.2
95.04994	10.8
95.08601	40.6
97.02894	20.4
97.06540	29.7
99.04469	12.0
99.08101	10.1
103.03872	7.0
105.07029	50.5
107.04958	10.2
107.08593	22.2
109.02883	12.5
109.06542	15.3
111.04456	20.5
111.08105	11.6
115.05407	6.2
117.07020	23.3
119.04988	9.7
119.08576	22.3
120.08118	6.0
121.06519	16.7
121.10161	15.2
123.11745	5.8
127.03941	23.3
129.07014	11.2
131.04904	8.3
131.08548	34.3
133.06509	21.3
133.10156	21.7
135.08047	13.6
135.11702	25.1
137.05980	60.7
143.08592	9.1
145.06551	8.0
147.04414	9.4
147.08052	8.1
147.11693	18.0
149.05995	15.7
149.09694	10.1
149.13272	25.2
151.07487	7.8
155.08583	8.6
157.06523	7.4
157.10086	6.1
159.08064	8.7
159.11708	42.7
161.05994	31.2
161.13301	10.7
163.07518	9.1
165.05492	63.9
165.12820	5.9
167.07056	21.6
171.08138	8.0
173.06017	13.8
175.03995	6.1
175.07541	20.9
175.11072	8.1
177.05434	12.1
177.12743	62.7
179.07024	10.9
183.11667	5.8
185.05923	7.2
185.13277	6.4
187.07535	6.6
189.05519	9.8
190.26216	5.6
193.12404	6.9
194.13872	5.1
195.13809	23.6
199.07565	11.5
201.09195	6.0
201.12971	6.8
203.06985	28.1
207.06505	14.0
217.08424	7.1
219.13811	11.5
221.08089	18.2
227.07040	15.0
233.08083	6.9
237.14957	5.6
243.13905	7.9
244.41621	6.3
245.08167	34.9
249.14989	8.6
261.14935	8.5
263.09067	26.9
267.12329	15.2
279.15891	11.7
285.14941	13.2
297.11462	6.5
297.16980	10.8
303.15939	20.1
321.17023	70.6
331.18747	6.6
339.18060	16.6
357.19153	10.7
421.19727	9.7
439.20969	8.8
457.22061	18.4
475.23395	9.2
511.25909	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	512.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27445	0.9
51.39258	0.7
51.83207	0.8
53.03941	3.1
55.05511	11.9
57.03416	1.3
57.07078	4.1
57.23958	0.9
59.04994	2.0
65.03916	1.0
66.24426	0.8
67.05187	1.3
67.05511	18.8
69.03442	6.5
69.07068	5.0
69.60799	5.7
71.04990	10.3
74.98581	0.9
79.05491	5.6
81.03428	9.6
81.07060	100.0
83.08614	2.9
85.02911	7.7
85.06543	6.7
89.06020	2.3
91.05482	2.9
93.07050	11.3
95.04971	5.4
95.08608	22.4
97.02887	2.6
97.10175	13.1
99.04443	2.5
99.08085	3.4
105.07010	4.0
107.08598	5.7
109.02886	10.8
109.06511	3.5
109.10147	3.1
111.04470	0.9
111.08094	4.9
113.06023	1.4
119.04904	2.1
121.10123	1.9
123.08117	1.4
123.11713	89.4
125.09610	1.3
127.03930	18.5
127.35945	1.1
133.10130	4.6
137.06010	1.3
139.11212	1.3
141.12733	4.8
145.04877	1.6
147.04431	13.7
151.11182	20.1
166.78857	0.9
169.12251	78.1
170.51166	1.0
187.13301	32.9
229.14290	4.6
249.14897	2.6
277.14389	8.1
295.15421	22.2
313.16440	10.9
331.17526	67.7
340.22705	1.1
382.72595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.6
55.01881	0.8
55.05505	3.0
56.40319	0.6
57.03442	1.5
59.00371	0.7
61.02928	2.7
65.03933	1.4
67.05508	3.8
69.03422	6.2
69.07043	3.5
70.06618	1.0
70.89170	1.1
71.04989	1.7
73.02911	1.3
77.03932	1.0
79.05499	12.3
81.03416	2.7
81.07070	8.4
83.04986	1.4
83.08630	1.3
85.02909	30.2
91.03963	1.6
91.05484	18.9
93.07049	78.9
95.04958	3.4
95.08609	14.0
95.99646	0.8
97.02899	7.1
97.06516	1.7
99.04469	1.5
105.04523	1.0
105.07035	5.7
107.08599	100.0
109.02901	2.7
109.06525	2.7
109.10175	3.2
115.45882	0.7
117.56731	0.7
119.06061	1.7
119.08570	2.1
121.10167	0.9
123.11695	1.3
127.03933	8.3
133.10138	1.6
135.11699	93.9
137.13246	1.8
145.04968	12.4
145.10141	1.3
147.04489	0.9
147.11673	1.0
153.12749	18.4
155.79622	0.7
163.03940	1.1
163.06026	7.1
164.07101	1.6
165.12766	1.0
166.50035	0.7
177.12758	0.8
178.67715	0.7
297.17010	1.7
325.11295	2.6
410.36636	0.7
522.08722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03940	4.2
55.01870	3.0
55.05497	4.3
57.03430	4.0
61.02926	7.2
65.03927	1.8
67.05507	6.3
69.03429	15.5
69.07072	4.9
70.06605	1.9
70.86722	1.1
71.04987	2.7
73.02907	4.3
77.03934	1.7
79.05492	14.3
81.03432	6.7
81.07060	9.2
83.05005	2.1
85.02910	100.0
86.09731	1.0
87.04440	1.6
91.03954	5.0
91.04968	1.9
91.05486	17.8
93.07047	82.9
95.04958	4.2
95.08613	20.3
97.02305	1.5
97.02895	25.2
97.06530	3.6
98.86388	1.1
99.04453	4.2
105.04500	1.9
105.07023	7.4
107.08598	88.8
109.02872	8.1
109.06499	2.9
109.10198	2.4
110.07159	1.5
119.06077	1.4
119.08569	2.8
121.10129	1.6
123.88461	1.1
127.03924	24.3
133.10130	1.8
135.11697	68.0
145.04971	44.6
145.05904	1.1
147.11568	1.2
153.12735	8.6
163.03891	4.6
163.06024	23.2
164.07059	2.3
167.07034	1.2
187.14774	1.1
217.20105	1.1
261.14914	1.9
271.08014	1.5
279.15833	1.7
289.09238	1.2
290.77835	1.1
297.16833	1.2
325.11295	7.8
345.82541	1.3
508.23093	1.2
512.23889	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
53.38536	2.2
55.01865	3.1
55.05526	14.0
57.03441	3.5
57.07074	3.6
58.76961	2.0
67.05514	20.8
69.03446	20.2
69.07080	7.4
69.62326	13.6
70.06586	2.0
70.76809	2.1
71.04994	10.7
79.05500	6.4
81.03452	10.1
81.07066	100.0
83.08638	4.0
85.02916	10.9
85.06076	2.0
85.06561	6.9
89.03920	6.7
89.06039	3.8
91.05473	5.3
93.07045	13.4
95.04977	7.3
95.08604	21.7
97.02893	4.3
97.10162	12.4
97.13148	2.3
99.04482	6.7
105.07050	5.1
105.61234	1.9
106.61587	2.1
107.08593	5.5
109.02863	14.8
109.06539	5.9
109.10194	5.3
111.04434	3.8
111.08086	3.2
117.03423	11.5
121.06506	3.6
121.10114	2.4
123.11721	86.2
124.72617	2.4
127.03918	14.4
129.05495	2.7
130.64490	2.7
133.10164	6.0
137.06009	3.5
145.02853	40.9
145.04962	2.5
147.06537	2.6
149.06021	6.0
151.11183	17.0
165.07657	4.8
169.12260	58.1
177.05489	88.4
178.96919	2.7
180.82628	2.4
183.08647	4.4
187.13304	29.4
193.03555	2.4
193.05080	2.3
193.12338	2.4
277.14468	3.6
295.15500	14.9
313.16562	8.8
331.17557	43.1
339.10651	3.8
428.29044	2.4
441.36624	2.2
465.96591	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.4
55.01870	11.9
55.05508	28.3
57.03448	7.5
67.05515	48.8
69.03437	49.8
69.07057	24.5
71.04983	14.8
71.53123	11.3
73.66949	7.3
79.05502	50.1
81.03426	36.0
81.07058	89.5
83.04967	27.4
83.08608	18.2
85.02918	31.2
85.06537	10.5
86.04911	5.9
87.00843	7.1
91.05480	59.5
93.07043	50.4
95.04955	14.4
95.08607	87.4
97.02887	16.5
97.06524	23.5
97.10143	6.8
99.04456	17.1
99.08088	11.8
103.03975	7.1
103.16613	5.7
105.07019	64.3
107.04949	12.6
107.08604	24.3
109.02865	23.5
109.06475	16.0
109.10142	14.4
111.08041	14.8
111.40401	5.9
117.07027	11.8
117.36172	5.2
119.04956	10.0
119.08612	36.0
121.06515	16.8
121.10146	17.2
123.08086	14.4
123.11703	8.8
127.03918	37.0
129.07068	8.1
131.04985	5.9
131.08551	21.0
132.76410	5.6
133.06491	17.3
133.10123	28.5
135.08058	6.4
135.11681	22.6
137.06009	37.1
137.09634	9.2
137.13261	12.6
139.07585	15.3
145.06465	9.5
145.10118	16.0
147.04352	6.6
147.08017	7.5
147.11693	9.3
149.05948	8.3
151.07553	15.7
151.57939	6.0
155.08565	9.2
157.06523	9.0
157.10164	13.1
159.08051	12.0
159.11630	16.3
161.05969	21.6
161.13254	47.2
163.11172	8.1
165.05505	35.2
169.10201	7.4
171.08113	13.3
173.05991	11.6
173.09639	6.7
173.13161	10.8
175.07605	9.4
179.14308	39.1
184.63231	5.2
185.09607	8.2
189.09000	7.7
197.15402	13.4
197.35039	5.9
199.07567	6.0
199.11028	9.2
203.07034	20.0
207.13792	7.4
208.50212	5.9
209.15456	8.2
211.11128	7.5
213.08980	7.4
215.10631	7.2
221.07968	12.5
229.38014	6.9
233.06216	8.7
237.14807	13.8
241.12276	6.8
245.08121	29.8
249.05638	8.8
251.07390	28.5
253.12198	7.2
263.09213	14.4
263.16400	16.9
281.17380	6.4
283.09808	9.2
287.16544	13.1
299.13025	6.9
305.17426	43.3
309.67410	6.6
323.18542	100.0
341.19626	29.3
409.13123	21.0
427.13947	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	fusicoccin P
Peak:m/z	Relative Intensity
53.03942	3.7
55.05507	9.4
57.03418	5.0
57.07065	1.7
58.75732	1.6
61.02929	11.6
65.03931	2.2
67.05505	22.7
69.03421	3.6
69.07054	7.0
71.05004	3.1
73.02901	3.0
79.05492	29.2
81.03407	3.8
81.07053	26.8
83.08599	5.1
85.02888	11.7
91.03944	5.0
91.05480	30.8
93.07047	38.1
95.08620	20.7
97.02883	6.6
105.07030	28.5
107.08601	26.3
109.06526	1.9
109.10139	6.4
117.06998	9.1
119.08588	23.5
121.10140	22.6
127.03927	3.2
129.06981	6.9
131.08563	14.0
131.75146	1.8
133.10147	23.7
135.11684	18.9
143.08566	9.2
145.10135	15.1
147.11687	24.0
149.09579	1.8
149.13254	11.3
150.29593	1.9
157.10123	9.0
159.11702	11.7
161.13280	15.9
163.11055	2.3
163.14793	4.4
171.11720	10.2
173.13232	7.4
175.14778	10.8
179.14288	3.5
183.11700	2.0
185.13306	8.8
187.14877	2.1
199.14804	3.5
213.16362	3.2
217.15961	2.1
217.19464	2.2
231.21098	4.2
241.19551	17.9
259.20599	49.2
277.21689	6.9
333.24295	5.7
349.23785	6.1
351.25302	100.0
363.25223	2.4
367.22626	3.3
375.25214	2.4
441.26376	4.2
459.27289	4.0
477.28314	2.5
495.29364	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92392	2.8
53.03938	4.7
55.05503	8.2
57.03432	4.7
57.07068	2.5
61.02923	8.5
65.03917	2.7
65.67981	2.2
67.05509	25.0
69.03415	11.2
69.07064	12.2
71.05013	3.8
71.53014	4.8
73.02907	5.0
79.05497	27.8
81.03423	7.4
81.07061	37.0
83.08607	4.1
85.02907	11.1
87.94026	2.2
91.03945	7.1
91.05477	23.4
93.07043	43.3
95.04970	5.5
95.08617	23.5
97.02887	8.1
97.06487	2.9
97.10157	3.9
105.07043	30.3
107.08601	23.4
107.63116	2.4
109.02850	2.6
109.10149	8.9
111.08102	2.8
117.07021	7.5
119.08576	28.3
121.10151	25.6
123.11695	4.4
125.09692	2.4
127.03905	6.4
129.07007	6.9
131.08577	15.0
133.10143	23.9
135.08144	3.4
135.11696	23.2
137.05963	5.3
140.95992	2.4
143.08546	6.6
145.09024	2.3
145.10095	14.9
147.11670	24.3
149.13245	18.6
157.10133	4.6
159.11682	12.6
161.09595	3.3
161.13248	17.0
163.14786	5.6
171.11681	9.4
173.13287	8.2
175.11249	2.9
175.14848	11.3
185.13240	7.4
187.14706	3.7
199.14767	6.5
202.30923	2.7
213.16350	3.9
217.19621	3.2
231.21104	3.6
240.20213	2.5
241.19473	15.5
259.20593	52.2
275.20309	2.8
277.21616	4.8
301.21335	3.2
333.24164	5.0
349.23532	4.0
351.25290	100.0
363.25140	3.0
375.25253	2.9
441.26294	5.0
459.27362	6.3
495.29120	5.2
513.28143	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3579
Annotation	11-OXOURSOLIC ACID ACETATE
Peak:m/z	Relative Intensity
55.05309	0.2
55.05518	2.0
57.07072	0.9
57.80748	0.2
63.46218	0.2
67.05506	1.9
67.40573	0.2
69.07074	2.6
69.94820	0.9
71.08633	0.3
79.05498	2.0
81.07059	6.0
83.04980	3.1
83.08634	1.4
83.25101	0.2
85.06499	0.2
89.06052	1.7
91.05474	2.5
91.05949	0.2
93.07056	5.3
95.04973	0.9
95.08613	9.6
97.06545	1.1
97.10168	0.5
104.85600	0.3
105.07040	8.2
107.08600	7.8
109.06532	0.8
109.10160	4.5
111.08089	0.6
117.07032	1.0
119.08591	12.9
121.06519	0.7
121.10150	7.9
121.11041	0.3
123.08105	1.2
123.11724	2.5
125.09599	0.4
129.07025	0.5
131.08575	2.5
133.06464	0.2
133.08578	0.8
133.10143	7.0
135.08064	1.2
135.11699	7.1
137.09625	0.3
137.13281	1.1
139.07588	0.4
139.11200	0.5
139.31958	0.2
141.07033	0.8
143.08577	2.2
144.09346	0.3
145.06497	0.4
145.10135	4.1
147.08078	1.2
147.11699	5.4
149.09639	1.9
149.13237	2.1
153.09129	1.0
155.08566	1.7
156.09447	0.4
157.10144	2.8
158.10942	0.3
159.08093	0.9
159.11694	2.5
160.12512	0.3
161.09665	3.1
161.13257	3.3
163.07651	0.4
163.11177	0.7
163.14836	1.0
164.03891	0.2
165.09129	0.4
165.12828	0.3
169.10133	1.7
171.11702	1.9
173.09627	0.7
173.13274	4.0
174.14156	0.3
175.11223	1.6
175.14851	7.4
177.12798	0.4
177.16380	2.1
183.11713	2.4
184.12640	0.4
185.09601	0.3
185.13213	1.4
187.11218	0.8
187.14815	3.2
189.12854	1.6
189.16394	18.9
191.17941	1.8
195.11664	0.2
197.13283	3.3
199.14822	3.7
201.12701	1.1
201.16429	1.5
203.10791	0.2
203.14293	0.3
203.18013	0.5
207.13724	0.3
207.17482	0.8
209.13171	0.3
211.14838	1.3
213.16423	1.5
215.14342	2.5
215.17914	1.0
217.12616	0.3
217.15891	7.3
219.13861	0.2
223.14882	0.2
225.16345	0.5
227.17975	1.8
229.15962	0.6
229.19586	0.9
230.23587	0.3
231.17462	0.4
233.15398	0.5
233.18961	0.3
235.16925	3.8
239.18002	0.4
241.19589	0.5
243.21095	0.7
245.15533	0.2
245.19073	0.9
253.19542	2.6
255.21025	0.5
257.19092	0.9
261.14944	0.8
263.16376	0.4
265.19562	0.4
267.21106	0.7
269.22766	0.3
271.20578	5.2
273.18530	0.4
275.16504	0.6
277.18011	2.9
283.20587	0.4
285.22089	0.4
293.22720	0.3
299.20114	0.6
313.21667	0.4
317.21021	2.3
327.19958	0.4
328.20490	0.6
365.24957	0.2
389.31955	0.9
407.32974	2.2
417.61804	0.2
425.33997	0.3
435.32693	1.7
447.91650	0.2
453.33701	0.9
463.89166	0.2
467.35260	4.6
513.35797	100.0
514.36017	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	513.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	18.3
56.96571	6.4
57.07072	6.5
60.61425	3.5
63.86775	3.5
67.05508	20.1
69.07064	12.4
79.05480	19.6
81.07057	42.2
81.45258	3.8
83.08625	9.0
89.50158	3.6
89.56177	4.0
91.05488	14.5
93.07042	30.8
95.08617	55.5
97.10165	5.0
104.53259	3.4
105.07047	35.5
105.08714	3.3
107.08598	55.6
109.10156	21.2
111.08044	6.0
113.02692	3.3
117.07047	10.1
119.08588	71.2
121.10156	48.8
121.84061	4.2
123.08088	8.8
123.11710	20.8
129.06966	5.5
131.08601	21.3
133.10139	47.5
135.08018	4.1
135.11708	18.9
142.07750	3.8
143.08556	11.5
145.10135	55.8
147.11667	25.7
149.09695	4.4
149.13278	10.2
155.08632	5.0
157.10143	18.5
158.10944	5.3
159.11702	57.5
161.13275	29.3
163.07584	8.7
163.11217	4.4
163.14822	9.4
169.10046	6.2
171.11751	15.7
173.13251	30.2
175.11127	4.8
175.14830	42.3
177.09097	10.2
177.16414	28.6
185.13249	8.6
187.14793	36.6
189.16394	34.7
193.15877	6.0
197.13441	4.9
199.14848	15.2
201.16393	87.1
203.17957	14.2
205.15921	4.1
211.14912	7.9
213.16393	11.7
215.17952	22.0
217.15842	17.8
219.17467	23.2
225.16327	4.3
227.18051	10.1
229.19510	6.9
235.16975	6.0
241.19568	9.6
247.16949	33.8
253.19403	5.4
287.20062	5.2
319.47366	4.6
365.24988	8.0
389.32065	17.9
407.33020	32.6
435.32578	100.0
449.34268	5.1
467.35306	11.5
495.34515	5.1
501.34546	4.0
513.29193	17.7
513.35785	14.3
513.50702	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	514.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95050	0.3
63.02371	0.5
68.26439	0.3
69.03420	0.5
69.07072	1.9
71.52512	0.7
78.04722	0.3
81.03397	1.1
81.07056	0.4
83.08611	0.8
85.02892	0.6
89.03915	5.1
93.07027	0.5
103.77008	0.4
105.07012	0.4
109.02879	0.8
109.34906	0.3
111.08134	0.3
117.03378	15.2
117.26656	0.3
123.07977	0.4
127.03880	0.6
130.84532	0.4
134.03615	1.0
135.04433	0.7
137.31010	0.4
141.09091	0.6
142.18822	0.3
145.02846	44.6
149.05992	5.3
153.12753	0.6
163.03870	0.8
171.13832	0.7
177.05467	100.0
186.05473	0.7
195.06479	0.7
267.49771	0.4
279.15952	0.4
297.16980	0.8
315.17987	0.9
321.09686	1.3
333.19080	0.7
339.10730	7.2
407.33859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	1.6
69.32275	3.4
69.32716	3.7
75.60835	0.8
81.03430	6.2
81.07050	1.6
85.02928	1.6
86.09770	1.0
89.03934	3.9
95.04993	1.1
117.03383	12.2
119.08603	1.0
131.08592	0.9
134.03677	0.9
141.09079	1.3
145.02858	36.9
149.05984	4.9
163.12389	0.9
175.11238	1.4
177.05487	100.0
178.05731	1.0
191.98895	0.9
193.12245	3.5
195.06442	1.6
218.11192	0.8
267.15906	3.8
285.17072	5.5
321.09882	2.3
339.10837	11.2
439.30576	0.9
514.16510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01884	0.7
55.05509	2.2
57.03434	1.5
57.07081	0.9
59.04996	1.5
61.02927	1.9
66.45578	0.6
67.05517	5.3
69.03435	3.3
69.06725	0.7
69.07072	7.0
71.04991	0.8
71.18369	1.5
73.02911	0.6
73.61821	0.6
74.62446	0.5
79.05508	6.0
81.03417	1.1
81.07063	100.0
83.08614	1.2
85.02912	18.3
85.06560	0.7
85.41498	0.6
90.70866	0.5
91.03967	0.8
93.07060	2.1
95.08617	32.6
97.02898	5.6
97.10190	0.8
99.04421	0.5
99.08105	2.8
104.33357	0.5
105.07055	1.4
107.08628	1.0
109.02894	2.1
109.10188	1.0
111.11719	2.1
113.76357	0.5
118.77290	0.5
123.11659	1.1
127.03952	4.6
133.04999	1.1
137.13268	43.3
145.04959	9.9
147.49457	0.5
149.13292	1.1
155.14316	18.4
161.13362	1.0
163.06049	5.5
165.12755	0.9
167.14380	1.2
177.05428	0.7
203.14471	0.8
213.77011	0.6
239.16492	0.9
248.17206	0.5
263.16495	1.7
280.77979	0.5
281.17493	1.2
299.18646	0.7
317.19681	1.1
325.11240	0.7
486.13153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01865	0.6
55.05507	2.2
57.03440	0.6
57.07068	0.9
59.05000	1.4
61.02921	2.0
67.05505	6.1
69.03422	3.4
69.07072	5.7
70.06592	0.4
71.04988	0.7
71.08621	0.5
71.52290	0.6
73.02908	1.1
79.05496	5.6
81.03432	1.6
81.07056	100.0
82.07379	0.6
83.08627	0.5
85.02905	18.1
85.06541	1.4
91.03975	0.5
91.05457	0.7
93.07045	1.5
94.46980	0.4
95.04993	0.6
95.08607	29.2
97.02900	4.5
97.10152	0.5
99.04469	1.1
99.08104	3.0
105.07038	1.0
107.08585	1.2
109.02870	2.1
109.10155	1.0
111.11697	2.4
115.03906	0.5
115.16734	0.4
119.08670	0.5
123.11724	0.6
127.03923	5.5
133.04997	1.1
135.11743	0.4
137.13255	42.7
145.04958	7.9
147.04259	0.4
147.11734	1.0
149.09564	0.4
149.13300	0.7
151.03903	0.6
153.12730	0.5
155.14307	18.3
159.11678	0.6
160.68945	0.4
161.13306	0.5
163.05997	4.6
165.12778	0.5
167.14383	0.7
179.05577	0.5
179.14275	0.5
186.21954	0.4
263.16541	1.5
264.44980	0.4
281.17590	1.1
299.18674	0.9
317.19730	1.1
386.32718	0.5
514.18091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.8
54.08598	3.6
55.01874	5.6
55.05517	25.8
57.03444	22.4
64.56303	3.9
67.05181	5.8
67.05511	63.9
69.03440	6.7
69.07074	22.4
71.04999	7.2
71.52055	4.8
79.05493	50.0
80.62805	4.8
81.03424	53.5
81.07069	70.9
82.06194	3.9
83.04978	18.0
83.08624	31.1
84.62549	4.4
85.02920	21.8
86.97424	4.7
91.05494	41.0
93.07053	59.5
95.04969	22.5
95.08619	24.2
97.02888	6.3
97.06530	11.4
99.08080	6.3
105.07038	24.7
107.04976	5.0
107.08581	28.3
109.06496	6.6
109.10162	6.3
111.08084	12.3
117.07021	10.2
119.08582	20.6
121.10185	20.1
123.08054	6.2
129.07005	12.3
131.08585	20.5
133.10144	16.7
135.11671	9.1
145.10146	6.6
147.11696	18.2
149.09654	5.6
149.13264	25.9
157.10126	16.9
159.11688	10.9
175.11232	6.5
193.12279	37.1
195.13858	12.5
211.13293	67.9
258.75415	4.7
267.15909	23.1
269.17538	100.0
285.16949	59.2
298.53989	4.4
431.19128	4.5
461.29028	51.5
479.23529	6.8
479.30072	93.4
543.82373	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	515.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01872	4.6
56.96308	2.8
56.96570	28.6
57.03434	10.7
61.02926	14.6
63.54715	1.9
67.05498	4.4
69.03436	36.7
71.04968	4.7
71.39460	4.6
71.95286	2.0
73.02925	13.3
79.05499	18.0
81.03428	16.3
81.07052	8.9
84.96018	7.0
85.02916	85.5
86.03226	5.2
87.04466	6.2
89.03916	9.5
91.03950	6.6
91.05474	5.6
93.07053	6.6
95.04959	4.7
95.08598	9.3
97.02904	33.4
98.03234	2.7
98.97593	90.1
99.04443	6.3
102.96932	2.7
105.07015	9.5
107.04964	4.4
107.08585	3.9
109.02865	8.0
109.06526	6.9
110.97570	18.9
112.99113	4.9
116.98628	27.6
117.03365	9.9
119.01822	3.7
119.04926	3.9
121.06520	9.0
123.08063	10.0
124.99152	4.7
127.03944	22.1
128.98607	15.8
131.00172	5.6
131.01704	2.2
135.04436	14.8
136.04747	2.5
137.05986	42.5
138.04448	2.5
138.06311	4.9
140.98625	2.6
141.09178	11.0
143.00150	7.1
143.01894	5.3
143.62852	2.3
144.98041	4.1
145.01761	4.2
145.02843	11.3
145.04962	19.8
146.99646	3.0
147.03180	3.0
147.04401	9.1
149.05956	6.9
152.98595	2.6
155.07068	2.7
157.01683	3.2
158.04201	2.1
158.99655	29.8
161.01216	3.6
161.02924	4.8
163.03920	100.0
164.04248	7.2
164.07043	6.9
165.05188	2.3
167.07011	13.7
170.03453	3.6
170.99655	5.3
171.04866	3.2
176.05157	3.6
176.80534	2.6
177.00743	18.5
177.05492	8.7
179.07059	3.4
180.05458	26.6
180.55589	2.9
182.99667	4.4
185.04878	8.0
189.00702	4.8
189.04402	4.2
189.05975	21.1
189.56180	3.1
191.03931	2.5
191.07104	2.4
192.51723	2.1
197.04729	11.2
199.06477	6.5
201.00740	10.0
203.05849	5.5
208.04945	6.7
209.08046	3.3
211.02776	9.3
214.04926	4.2
215.02330	2.9
215.05960	6.1
217.03737	2.7
217.07480	7.0
219.01778	32.2
221.04880	3.4
223.05408	6.3
225.04292	3.0
229.03871	4.7
232.06015	4.4
235.02919	3.6
237.02751	24.5
239.05896	32.3
240.03143	2.3
240.06113	4.1
242.07780	2.5
253.03886	9.9
253.09338	2.3
257.06909	8.6
259.06516	2.5
261.02954	2.5
261.08078	5.2
265.08075	3.1
270.08475	5.7
271.04828	4.9
273.06686	3.8
275.08047	3.2
276.06619	3.4
278.08990	2.5
279.03952	2.6
283.04938	3.4
285.02719	3.6
293.09802	11.1
295.04715	6.4
295.07623	8.7
299.07953	3.3
303.03973	3.7
303.07370	2.8
304.08121	3.7
306.09830	2.7
327.04187	4.2
327.09360	3.0
331.10318	2.9
335.06168	3.4
337.10587	12.1
338.11096	3.9
338.61145	4.8
339.11734	4.3
340.12796	4.8
343.12393	3.1
344.09439	2.9
345.10379	2.7
345.60559	9.2
346.10947	35.0
346.61105	7.2
347.11539	2.7
353.07608	3.3
354.10776	2.8
354.62430	3.7
355.11539	12.0
356.12405	2.3
357.10367	2.8
359.10095	27.2
360.10632	4.0
361.11661	3.7
373.08063	5.4
374.12335	80.3
374.62488	12.5
377.11325	16.9
378.11520	2.7
383.12878	20.1
389.07404	4.3
415.08997	3.8
445.10349	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.8
55.01861	8.4
55.05519	19.5
55.05724	3.8
55.17096	3.2
57.03425	4.6
66.44455	3.5
67.05500	42.2
69.03429	26.0
69.07071	8.4
69.25768	20.8
69.26192	12.2
71.04996	15.6
79.05497	41.1
81.03422	30.3
81.07063	100.0
83.04980	25.2
83.08614	16.1
85.02898	11.8
85.06512	7.1
91.05490	37.6
93.07053	62.3
95.04967	16.9
95.08611	38.4
97.02889	15.4
97.06528	14.3
98.21473	6.3
99.04443	8.7
99.08099	5.5
105.07034	32.2
107.04996	7.6
107.08614	19.4
109.02875	11.2
109.06512	12.6
111.04451	16.5
111.08069	13.4
117.07004	11.3
119.08566	16.2
121.06512	9.4
121.10155	10.4
123.08074	8.8
123.11707	24.8
127.03915	24.1
129.07001	10.8
131.08563	18.7
133.06491	7.6
133.10104	22.0
135.08057	14.9
135.11678	15.9
137.06067	7.4
137.31476	4.1
141.09096	4.6
143.08525	5.5
145.02882	4.7
145.06522	4.3
145.10092	6.2
146.05998	3.8
147.08037	6.3
147.11691	13.2
149.05963	5.1
149.09598	8.3
149.13269	15.1
151.11211	5.9
155.08681	3.7
157.10034	3.6
159.11723	18.8
161.13266	5.0
165.12724	6.4
169.12244	17.9
171.11711	6.4
173.13278	4.7
175.11208	8.4
177.05515	8.2
177.12746	29.1
178.05769	7.2
179.14217	4.1
185.04488	11.6
187.11226	6.8
187.13261	7.6
189.12758	6.5
193.12254	12.5
194.12630	6.1
195.13800	24.5
207.13777	8.5
213.12741	5.0
217.12323	4.2
219.13704	8.0
231.13788	4.4
235.13272	4.2
243.13745	4.9
249.14938	5.7
267.12369	11.8
276.71976	3.5
285.14810	12.6
286.17368	15.5
303.15860	28.9
321.16986	92.0
331.17499	6.0
339.18030	22.7
357.18918	8.6
373.13589	5.7
374.14175	8.1
515.21411	17.9
515.28107	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	22.6
57.03427	13.2
57.07100	5.3
60.87550	4.7
66.97148	4.7
67.05185	6.7
67.05508	89.9
67.13100	3.8
68.60740	3.9
69.03411	16.0
69.07059	20.4
69.77505	22.3
71.05014	5.5
79.05495	51.9
81.03391	7.4
81.07062	100.0
83.08606	10.8
85.02892	10.0
85.06519	5.6
91.05482	47.7
93.07052	61.5
93.60595	4.3
95.04953	9.3
95.08613	71.6
97.02874	7.8
97.06498	6.4
97.10175	8.2
99.08092	7.3
105.07052	28.2
107.08601	39.0
109.06520	10.1
109.10146	33.5
117.07008	12.6
118.80981	4.3
119.08601	23.0
121.10123	29.3
123.08010	5.5
123.11702	14.5
129.06940	6.2
131.08606	26.3
133.10155	20.9
135.08083	6.2
135.11711	28.3
137.06117	4.8
137.13268	5.1
143.08560	7.7
145.10106	17.5
147.11667	14.4
149.13240	14.3
157.10141	9.8
159.11725	20.9
161.13263	17.2
163.14891	9.1
171.11719	6.0
173.13239	17.8
175.14796	4.8
177.12737	5.6
187.14932	7.0
242.68105	4.3
243.21117	16.7
254.40404	4.3
261.22192	62.5
301.21402	5.3
335.25760	19.9
345.24292	6.7
353.26880	26.0
356.44400	5.3
369.24295	9.6
405.26349	8.5
419.27814	11.8
461.28763	5.8
479.30173	5.7
497.30902	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	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27548	1.5
52.65201	1.7
53.03945	4.9
55.05516	19.4
57.03438	6.4
57.07072	3.7
61.02924	2.5
65.03947	3.1
67.05511	85.5
69.03429	5.8
69.07076	16.3
71.01331	2.9
71.04976	5.0
73.02930	2.6
75.04512	1.9
79.05502	56.3
81.03431	2.8
81.07064	100.0
81.86494	1.7
83.04991	4.5
83.08627	8.9
85.02904	6.7
85.06545	2.4
91.03949	1.9
91.05491	32.6
93.07054	70.1
95.04966	4.2
95.08619	69.6
97.02886	5.0
97.06541	4.4
97.10180	3.0
98.89273	1.8
99.08060	3.7
104.01872	1.7
105.07046	27.5
107.08607	46.3
109.06541	3.6
109.09487	2.6
109.10175	34.3
113.09629	2.8
117.07056	12.8
119.08586	21.4
121.06527	2.1
121.10156	39.7
123.08069	3.3
123.11711	20.8
125.09657	3.5
129.07037	3.2
131.08568	20.6
133.09436	1.5
133.10161	17.6
135.08099	2.2
135.11702	27.8
137.13272	9.1
139.07556	1.8
139.11197	3.1
143.08569	3.5
143.94186	1.9
145.10124	20.4
147.11722	13.8
149.13280	25.7
151.11166	1.8
157.11995	1.9
159.11708	17.7
161.13235	16.3
163.11250	2.1
163.14841	16.6
171.11699	2.7
173.13293	16.6
175.14801	5.4
177.12808	2.5
177.16385	4.7
179.14265	3.1
185.13321	1.8
187.14851	9.6
198.99831	1.9
201.16394	3.3
233.22678	3.5
243.21106	30.0
261.22141	77.0
279.23132	3.0
303.23087	2.8
317.24786	3.2
335.25848	27.2
353.26883	20.1
369.24231	4.6
387.25107	3.6
405.26038	2.9
414.22095	2.0
419.27985	4.2
461.29340	2.4
470.45215	1.9
479.30002	2.9
497.31033	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.05275	2.0
55.05516	21.5
57.03433	8.0
57.07067	5.5
61.02919	3.1
65.03935	3.2
67.05509	86.4
69.03426	8.3
69.07072	14.1
71.05001	2.2
71.08636	2.5
79.05499	61.3
81.03416	5.9
81.07059	100.0
82.91769	2.0
83.04984	2.5
83.08647	9.6
83.68719	1.8
85.02909	5.7
85.06534	3.5
91.03976	2.4
91.05487	33.3
91.82821	1.7
93.07053	72.5
93.07645	3.5
95.04964	5.2
95.08614	74.2
97.02884	3.1
97.06522	5.3
97.10156	4.1
99.08082	5.6
105.07034	28.7
107.08595	47.1
109.06510	5.8
109.09468	3.2
109.10165	36.1
110.59441	1.7
111.08078	3.5
117.07008	11.7
119.08588	27.7
121.06503	2.5
121.10149	37.1
123.08057	4.0
123.11718	18.1
127.03944	2.3
129.07002	5.1
131.08582	30.1
133.10136	21.0
135.08046	3.8
135.11697	31.7
137.09645	3.6
137.13266	6.3
143.08549	3.5
145.10136	24.7
147.11679	15.2
149.09598	1.9
149.13264	24.1
151.11241	2.8
151.14934	3.1
157.10201	2.2
159.11720	19.2
161.13266	12.8
162.55536	1.9
163.11166	2.8
163.14812	16.8
165.12762	3.3
171.11690	2.4
173.13287	22.4
175.11237	1.9
175.14818	4.6
177.12727	4.4
177.16397	7.2
179.10733	2.0
179.14407	2.6
183.11591	3.0
185.13275	3.2
187.14819	11.8
205.16023	2.6
225.16469	2.0
233.22635	4.5
243.21089	32.2
261.22156	87.6
279.23447	1.9
290.15009	1.7
303.23038	4.1
327.23145	2.9
335.25687	13.0
345.24225	4.0
353.26941	20.7
369.24213	4.1
377.26642	2.0
387.25479	2.3
405.26538	3.3
419.27615	2.7
443.27853	2.1
461.28687	2.9
479.29816	3.6
497.30911	5.2
515.37231	4.4
530.84961	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	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	9.9
55.05520	27.1
57.03446	10.1
61.02923	7.1
67.05518	76.1
69.03419	17.7
69.07090	25.7
70.96008	16.0
79.05485	53.0
81.03416	11.0
81.07070	100.0
83.08608	17.4
85.02919	12.8
85.06527	9.0
91.05490	45.9
93.07056	71.5
93.64545	4.9
95.04988	11.8
95.08070	7.7
95.08620	80.4
97.02853	5.9
97.06529	6.5
97.10181	6.2
99.08115	9.2
105.07043	37.5
107.08599	45.6
109.06516	7.0
109.10185	29.7
111.08113	6.1
117.07007	21.2
119.08584	28.6
121.06505	5.8
121.10167	34.0
122.52408	7.2
123.11681	15.1
129.07027	10.9
131.08600	30.0
133.10152	26.4
135.08083	7.4
135.11713	23.5
137.13261	9.5
143.08542	7.8
145.10155	34.1
147.11681	17.6
149.13257	21.3
157.10117	7.9
159.11703	25.7
161.13263	11.3
163.14819	13.3
165.12764	6.5
171.11688	8.0
173.13249	19.4
175.14862	8.1
178.50818	5.2
185.13220	7.7
187.14847	9.1
198.72777	5.1
204.40004	5.2
238.15292	5.3
243.21121	12.8
257.15417	5.3
261.22183	69.5
272.55640	5.6
288.23425	5.8
335.25854	9.9
345.24420	6.8
353.26840	24.1
369.24332	8.3
387.25430	8.3
405.26254	8.8
443.28149	8.1
461.28635	9.2
479.30026	11.2
497.31061	15.6
515.33984	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	515.3736
Annotation	3-O-Acetylmaslinic acid
Peak:m/z	Relative Intensity
51.49263	0.8
55.01878	1.4
55.05320	0.7
55.05517	7.9
57.03429	2.0
57.07082	1.8
58.83331	0.8
67.05180	1.4
67.05510	16.3
69.07071	6.2
71.05008	0.9
71.16950	1.5
77.88671	0.7
79.05506	10.4
80.98277	0.8
81.07061	14.4
83.08620	3.6
91.05486	10.6
93.07060	12.7
95.08619	8.4
97.06520	1.7
97.10180	2.1
102.29365	0.9
105.07043	11.2
107.08602	7.0
109.10161	4.0
117.07027	6.3
119.08607	10.1
120.74892	0.8
121.10173	4.7
124.47687	0.8
128.06253	1.6
129.07010	5.5
130.07790	1.0
130.42944	0.9
131.08586	12.0
133.10150	6.8
135.11732	5.4
141.07030	1.7
142.07796	1.1
143.08574	7.2
145.10143	11.9
147.11705	4.9
149.13226	2.0
155.08582	4.2
157.10127	6.6
159.11674	6.1
161.13269	2.7
163.14731	1.2
167.08495	1.1
169.10143	3.2
171.11743	5.9
173.13269	5.7
175.14919	2.0
181.10170	2.1
183.11743	3.0
185.13321	3.4
187.14853	3.8
189.16432	2.6
195.11714	1.6
197.13318	2.6
199.14853	3.8
200.33748	0.9
201.16422	3.6
209.13301	1.3
211.14862	2.0
213.16515	1.4
215.18015	1.5
217.94691	0.9
223.14851	0.9
225.16423	1.3
227.18073	1.3
229.15802	1.1
239.17996	1.2
253.19661	1.3
255.21112	1.1
261.22116	1.1
271.20474	1.0
281.22366	1.2
297.22095	1.3
317.24792	1.5
329.24677	1.0
353.24899	1.0
389.26743	1.1
403.28577	1.2
405.31479	1.9
423.32739	8.4
441.33942	3.1
451.35849	1.3
469.36951	7.8
479.36227	0.8
497.36255	5.1
515.37408	100.0
516.37616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3738
Annotation	2-O-Acetylmaslinic acid
Peak:m/z	Relative Intensity
55.05503	5.4
55.45504	1.7
56.75542	1.4
57.07075	1.9
58.38149	1.2
59.01225	1.2
67.05517	9.3
69.07055	6.2
71.88927	1.3
79.05515	7.8
81.07076	12.1
83.08611	2.2
91.04971	1.5
91.05460	7.2
93.07050	15.5
95.08054	2.2
95.08611	20.8
97.06559	1.7
105.07040	13.6
107.08602	17.7
109.10158	7.9
117.07009	3.8
119.08595	21.0
121.10159	10.6
123.08070	4.2
123.11712	4.4
129.06998	1.4
131.08577	6.3
133.10143	14.7
135.08104	2.5
135.11717	13.5
137.13248	3.1
143.08559	3.5
145.10126	15.3
147.11705	15.5
149.13310	6.5
157.10106	3.4
159.11719	8.9
161.13292	9.5
163.14824	5.1
169.10133	1.5
169.56769	1.4
171.11749	2.6
173.13290	5.8
175.14836	5.4
177.16383	3.2
185.13266	3.8
187.14828	12.5
189.16403	31.5
191.17989	4.6
197.13228	1.6
199.14832	3.0
201.16403	19.7
203.18039	12.0
205.15831	11.1
213.16393	2.7
215.17972	5.0
219.17490	2.8
224.52711	1.4
227.17735	1.6
229.19580	2.3
241.19521	2.8
243.97739	1.3
246.68016	1.4
247.17020	8.4
249.18568	4.1
255.21164	6.6
257.22562	1.4
269.22787	2.7
301.21765	3.2
315.23126	1.4
373.27432	6.5
391.33444	3.9
399.28824	4.7
409.34570	1.8
423.32697	2.9
437.34192	13.9
451.35666	3.4
469.36813	100.0
470.37100	3.0
497.36121	2.3
515.37390	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56844	0.9
55.05502	2.8
60.29592	0.9
67.05505	7.1
69.07092	4.3
79.05502	5.8
81.07063	13.3
83.04958	1.0
83.08621	2.2
91.05479	5.0
93.07046	9.0
94.10612	0.8
95.04967	0.7
95.08617	16.9
96.49992	0.9
98.21523	3.0
105.07035	8.8
107.08601	17.4
109.06510	2.5
109.10162	8.8
111.08113	1.1
117.07054	2.2
119.07825	0.9
119.08598	14.2
121.10151	11.6
123.08101	1.1
123.11698	3.3
129.07005	1.5
131.08577	7.9
133.10149	10.3
135.11714	10.3
143.08508	2.4
145.10150	9.3
147.11702	12.2
149.13266	6.8
157.10098	2.4
159.11681	4.4
161.13251	5.7
163.14836	5.6
171.11664	1.6
173.13261	3.6
173.23027	0.9
175.14807	3.3
177.16391	6.0
178.64180	0.9
185.13264	1.4
187.14835	13.0
189.16396	31.9
191.17969	3.2
199.14810	1.0
201.16357	4.6
203.18001	1.8
205.15887	36.3
213.16373	1.7
215.17964	2.6
217.19441	1.3
219.17497	2.5
229.19504	2.5
241.19411	1.8
249.18484	3.1
255.21097	3.4
269.22296	0.9
333.24396	0.8
342.30753	0.8
343.97162	0.9
391.33624	1.2
409.34610	1.7
451.35928	4.5
463.02197	0.9
469.36813	100.0
470.36856	1.2
497.35831	1.0
515.37531	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
53.58556	0.8
54.13666	0.9
55.01869	2.1
55.05515	14.4
56.87288	0.9
57.03443	5.8
57.07070	2.3
58.69923	0.8
65.03941	2.7
67.05510	40.8
69.03413	1.0
69.07074	11.8
70.64451	2.8
71.01351	1.3
71.04995	2.6
74.06015	0.8
77.03947	1.1
79.05499	36.8
81.03419	2.9
81.06590	1.8
81.07062	30.0
83.04990	4.0
83.08617	3.7
85.06532	2.6
91.05492	24.8
93.07050	47.2
95.04967	4.0
95.08611	18.5
97.06539	4.0
97.10182	6.8
99.08097	1.6
105.07040	13.7
107.04953	1.0
107.08597	26.0
109.10159	7.9
111.08112	1.4
117.07026	6.8
117.07727	1.1
119.08599	12.7
121.06548	1.2
121.10147	12.5
123.08143	1.1
123.11726	1.5
125.09678	1.4
129.07043	2.3
131.08569	9.4
133.10130	8.7
135.11703	29.7
143.08571	3.1
145.10132	10.9
147.11710	4.9
149.13300	3.1
153.12788	1.5
155.08580	1.6
157.10159	2.9
159.11707	6.9
160.92986	0.8
161.13300	3.0
163.11234	2.2
163.14832	3.7
169.10158	2.2
171.11729	2.9
173.13303	4.1
175.14835	1.9
181.12161	4.7
183.11668	1.6
185.13330	2.1
187.14857	2.5
190.66908	0.9
197.13272	1.3
199.14890	1.2
211.14990	1.1
213.16431	0.9
227.18037	1.2
243.21114	1.9
261.22189	3.8
317.24637	1.6
405.31378	1.8
423.32559	3.8
441.33441	1.6
445.78198	1.1
459.34485	1.2
469.36954	1.9
497.36411	4.0
515.37335	100.0
516.37311	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01879	2.9
55.05506	14.5
55.20621	1.3
56.51657	1.4
57.03429	6.3
57.51382	1.7
65.03933	2.7
65.18159	1.9
67.05503	42.3
69.07072	14.7
71.04986	3.5
71.53090	1.8
79.05495	41.4
81.03402	1.9
81.07050	33.9
83.04977	6.1
83.08622	5.2
84.18610	1.5
85.06517	3.7
91.05481	23.0
93.07043	43.9
95.04958	5.3
95.08607	24.1
97.06521	6.2
97.10171	7.5
99.08111	1.6
105.04517	1.9
105.07027	17.0
107.08592	26.0
109.06509	2.7
109.10160	10.2
117.07012	9.0
119.08575	15.3
121.10149	17.7
123.11703	3.2
129.07005	4.3
131.08562	10.4
133.10124	11.8
135.11696	30.3
137.09650	1.6
143.08594	4.7
145.10133	13.9
147.11668	8.0
149.13275	5.7
155.08553	2.4
157.10199	3.4
159.11653	8.2
161.13266	4.8
163.11192	3.6
163.14838	1.8
164.26826	1.3
169.62682	1.4
171.11693	3.9
173.13315	6.7
173.74075	1.4
175.14856	3.7
177.16371	2.5
181.12297	5.1
185.13321	3.6
187.14812	5.5
189.16388	10.5
191.17821	2.0
199.14822	1.8
203.17993	2.5
205.15825	8.9
207.17360	1.7
209.96024	1.4
215.18181	1.8
261.22168	5.0
405.31970	2.1
423.32501	6.8
423.74371	1.5
441.34064	1.7
469.36829	17.4
497.36273	4.5
515.37354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3736
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
55.05504	7.5
67.05511	10.3
69.07085	10.7
71.08630	2.1
73.40865	1.9
75.97727	1.9
79.05487	7.0
79.71387	1.7
81.07055	30.6
83.08620	5.3
91.05483	12.4
93.07039	24.6
95.08614	47.6
97.10193	6.7
105.07039	30.3
105.97772	2.1
107.08596	35.2
109.10175	22.5
111.08099	5.3
117.07030	5.5
119.08584	50.4
121.10143	27.1
123.11729	6.7
131.08559	11.8
133.10133	34.3
135.11682	12.4
143.08592	3.8
145.10143	20.7
147.11690	34.2
149.13266	36.5
153.09077	4.0
157.10139	5.1
159.11688	13.7
161.13258	24.8
163.14803	7.5
171.11761	3.0
173.13300	12.5
175.14815	12.7
177.16396	42.3
179.14330	2.1
181.12325	2.7
185.13246	3.2
187.14833	12.3
189.16391	100.0
191.17961	5.7
199.14824	2.4
201.16391	16.6
203.17944	36.2
205.15883	8.3
205.19540	7.9
207.17441	45.4
213.16454	3.9
215.18007	10.0
231.17537	2.8
235.16833	3.4
239.17917	3.4
247.16968	4.3
249.18538	12.2
275.19965	2.4
391.33536	7.6
409.34705	21.1
425.34048	6.4
437.34149	26.4
455.35147	4.1
515.31384	47.6
515.37549	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	516.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
53.62394	0.3
55.01866	0.7
56.96298	0.5
56.96562	4.1
57.03423	1.2
58.88095	0.2
61.02932	2.0
61.20850	0.2
63.02370	0.7
65.03931	0.4
69.03089	0.4
69.03434	5.6
71.04985	0.5
71.95261	0.3
72.97291	0.2
73.02934	1.7
75.04456	0.3
77.81543	0.3
79.05500	5.4
80.05811	0.3
81.03422	2.1
81.07061	2.5
84.96042	1.4
85.02911	13.9
86.03217	0.5
87.04478	1.4
89.03923	9.5
91.03959	1.0
91.05492	1.6
93.07067	0.6
95.04992	0.3
95.08624	0.5
97.02898	5.1
98.03265	0.3
98.20740	0.7
98.97590	15.3
99.04447	1.1
99.97901	0.4
101.02380	0.3
102.96940	0.4
105.07040	0.5
107.04966	2.5
107.08611	3.4
108.08955	0.6
109.02866	1.6
109.06531	2.6
110.97569	4.6
111.04507	0.3
112.99129	0.9
115.03912	0.3
116.98637	4.7
117.03387	8.7
118.03707	0.7
119.04947	0.6
121.06501	1.1
124.99169	0.6
125.09594	0.3
126.96968	0.3
127.02454	0.3
127.03918	4.0
128.98622	3.0
131.00186	0.7
132.10158	0.3
134.99696	0.8
135.04427	16.8
136.04721	0.5
137.05989	15.8
138.06313	1.1
140.02412	0.3
140.98541	0.5
143.00197	1.6
143.01895	0.3
143.10692	1.0
144.98074	0.6
145.02852	11.2
145.04933	3.1
146.99648	1.1
147.04414	0.8
151.04352	0.3
153.02196	0.7
155.07036	0.4
158.99661	5.2
160.03911	0.3
161.01257	0.9
161.02786	0.3
161.05998	0.3
163.03915	100.0
164.04254	5.1
164.07027	0.3
166.55467	0.6
167.07042	0.3
169.05417	3.1
170.99678	1.9
171.03355	1.3
172.05708	3.0
172.55864	0.9
173.02975	0.4
175.56030	0.3
177.00732	2.9
180.05515	0.4
181.06384	1.8
181.56381	0.5
182.99751	0.4
185.04848	0.7
187.04439	1.2
187.06447	4.5
188.06030	0.6
189.00729	0.7
189.04329	0.5
190.06740	0.9
192.04819	0.4
195.05066	0.4
197.04861	0.7
199.06410	3.7
201.00687	1.7
205.07468	1.2
206.07043	0.3
211.02821	0.9
211.06425	1.1
213.00868	0.3
213.04387	2.1
214.04709	0.3
215.06029	0.7
217.07491	3.1
218.04543	0.3
219.01776	9.5
219.05014	0.5
220.02051	0.3
221.03030	0.3
221.04980	0.5
223.02882	0.4
223.06558	0.5
227.05951	0.5
229.03854	1.2
231.05363	1.0
235.02875	0.5
235.08543	1.6
237.00488	0.6
237.02820	8.7
237.06190	0.6
238.03290	0.8
239.05885	1.5
240.06351	0.4
241.03802	0.7
241.07507	4.5
243.01762	0.3
244.04286	1.8
245.06955	0.7
251.07771	0.3
253.03946	1.5
253.06638	0.3
255.03818	0.4
255.06990	0.3
257.03275	0.3
257.07068	0.5
258.09637	0.5
259.06592	0.4
259.08658	4.0
259.56726	0.3
261.02820	0.4
262.08273	0.8
262.58786	0.3
263.08276	0.3
265.09485	0.3
267.06223	0.4
268.06802	0.3
271.08701	0.9
272.07977	1.3
276.06696	0.6
277.09546	2.1
283.08499	0.3
285.10434	0.5
287.08176	0.4
289.09567	0.6
295.04956	0.3
301.09592	1.2
319.10706	0.4
321.08359	0.5
327.63712	0.3
328.10547	0.3
330.11493	0.4
332.10416	0.7
336.09827	0.5
337.10559	0.5
338.11188	0.4
338.61176	0.4
339.12210	2.3
339.62308	0.5
340.12900	0.4
341.13608	0.5
342.10739	0.4
342.14282	1.9
342.64606	1.2
343.10645	0.9
343.14288	0.3
344.64246	0.3
345.62036	1.4
346.11212	0.3
347.11691	0.8
348.07098	0.7
348.10837	0.5
348.59006	0.3
349.10587	0.4
354.12540	0.3
354.62503	1.5
355.07230	1.1
355.12262	0.5
355.63455	0.3
356.07394	0.5
356.12122	0.5
357.09210	0.4
357.59695	1.1
358.10593	8.9
358.60297	0.9
359.10110	0.9
361.11707	17.8
362.12091	2.2
363.09167	0.5
373.08066	2.4
374.08386	0.4
377.11301	0.4
379.12778	18.6
380.13092	2.4
381.10196	0.8
399.11740	1.7
402.14395	0.7
415.08636	0.3
493.10019	0.3
533.14862	0.3
535.16968	7.5
536.17493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01852	3.0
55.05512	5.8
57.07087	2.6
60.05648	3.9
61.02911	1.8
65.03931	2.5
67.05495	11.1
69.03148	1.3
69.03440	14.9
69.07049	4.9
71.04982	2.8
71.52605	2.3
72.08157	1.6
79.05499	16.7
81.03431	7.4
81.06596	2.2
81.07066	43.5
83.04982	4.5
85.02435	2.1
85.02913	23.7
85.06499	1.7
87.00832	9.8
91.05478	17.2
93.06503	3.4
93.07054	51.9
95.04961	4.2
95.08623	23.7
96.12916	1.5
97.02896	9.6
97.06534	5.2
99.04456	3.7
105.01886	9.0
105.06399	2.6
105.07042	28.3
105.07712	3.0
107.08600	35.5
108.51968	1.7
109.02882	7.4
109.06499	7.6
109.10102	3.0
111.04462	17.4
111.08111	3.1
117.07013	6.3
119.08588	30.8
119.54670	1.6
121.06500	8.2
121.10156	78.2
121.11037	3.9
123.04464	11.7
123.08058	6.5
123.10846	1.9
123.11717	31.5
125.05989	1.9
127.03915	18.4
129.07040	4.5
130.07765	1.9
131.08548	15.1
133.06500	3.3
133.10129	8.1
135.08038	4.9
135.11710	45.5
137.05986	24.9
139.07527	3.0
141.06975	2.1
142.07768	4.0
143.08553	5.8
144.09352	1.9
145.04956	6.3
145.06508	3.2
145.10143	25.1
147.03040	1.5
147.08078	5.3
147.11685	6.6
149.06026	1.7
155.08525	5.8
157.10130	12.7
158.07285	4.0
159.02922	3.8
159.08072	19.8
159.11700	20.5
161.09712	2.7
161.13237	2.6
161.86491	1.7
163.07407	2.5
169.10130	4.2
171.11749	4.2
173.09615	21.6
173.13254	2.8
175.11160	2.0
177.09128	4.3
182.10912	4.4
187.11168	5.2
187.14835	26.6
191.07095	3.4
197.13281	15.2
200.11897	1.7
205.15855	3.1
213.03958	2.0
215.10918	3.0
215.14333	100.0
219.13623	2.0
229.12161	2.4
231.04895	3.3
233.11874	17.2
233.15373	88.8
257.11697	3.6
275.12790	2.4
275.16174	1.8
283.12988	1.8
293.15775	1.6
323.16287	2.5
340.48428	2.0
341.13806	4.5
341.17462	3.8
358.04791	2.0
445.14337	2.3
455.80530	1.7
516.21423	1.9
530.72522	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	516.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52828	1.0
53.03944	1.4
55.05516	26.0
57.03445	1.9
57.07085	23.0
61.02921	2.5
67.05473	1.1
69.03442	6.9
69.07074	29.0
69.32877	6.8
71.04988	1.3
71.08632	5.4
81.03421	1.9
81.07060	8.0
83.08627	100.0
85.02911	27.0
97.02902	6.1
97.10182	18.0
99.04468	1.7
106.19822	1.0
109.02888	3.1
111.11743	1.6
127.03944	5.4
137.05957	1.9
139.14806	2.3
145.04953	9.4
145.68367	0.9
147.04434	1.0
157.15889	47.0
163.06114	2.4
175.16953	79.7
201.05536	1.9
216.87128	1.0
306.08621	1.3
338.11050	3.0
358.19153	1.1
384.93573	1.1
490.78696	1.2
516.24408	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
65.40467	4.7
65.41843	5.6
65.58818	4.6
67.05506	14.6
69.07066	6.0
69.44685	6.1
71.52735	6.5
74.09727	64.2
79.05485	5.8
81.07055	16.8
91.05476	8.0
93.07043	18.9
95.08607	21.1
105.07052	17.1
107.08581	23.0
109.10146	15.0
119.08583	15.8
121.10166	17.8
131.08598	7.8
133.10135	15.2
135.11690	10.1
137.13194	5.9
145.10104	10.0
147.11723	6.5
149.13257	10.3
159.11678	10.9
161.13281	10.2
163.14838	18.1
175.14880	9.7
177.16449	6.4
187.14796	11.8
189.16429	9.7
191.10696	5.9
191.17871	5.5
216.39755	6.0
220.74673	5.5
224.41104	5.7
247.16930	7.4
261.18506	12.5
261.22171	9.6
327.23138	17.8
377.93454	5.6
392.31750	6.4
423.32495	41.8
425.33896	6.7
441.33859	13.1
471.34171	6.9
516.40521	100.0
517.39252	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	517.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41528	1.6
56.96572	4.8
57.03425	2.2
61.02927	4.2
67.58060	1.5
69.03450	9.7
70.64959	4.9
73.02939	3.6
81.03451	2.6
83.70841	1.5
84.96047	2.6
85.02907	18.1
87.04491	2.4
91.03979	3.3
91.05497	1.8
92.46251	1.5
97.02916	6.4
98.97599	17.1
99.04472	2.8
99.95705	1.7
101.00878	2.3
106.75983	1.5
109.40236	1.6
110.97533	3.0
116.98680	2.3
119.01942	2.2
127.02527	2.5
127.03982	5.6
128.98618	3.0
137.06004	4.2
139.71590	1.4
143.00150	1.7
143.01953	3.4
145.03517	4.7
145.04997	4.3
146.03729	1.8
146.99683	1.7
155.01927	5.5
156.98148	1.7
157.03496	1.8
158.99709	6.5
161.02908	2.8
170.99754	2.9
173.03070	5.6
174.99228	5.8
177.00757	3.1
184.05013	2.1
188.05249	1.9
189.00768	2.8
189.02466	1.7
191.04007	4.4
193.00293	3.6
199.00998	2.5
200.04347	1.6
201.00716	3.5
202.16153	1.7
203.04092	2.3
217.00246	3.3
217.02048	11.9
219.01859	5.8
229.02028	3.4
235.03099	3.7
237.02867	3.3
241.19905	1.9
241.22261	1.9
245.05333	2.3
261.02841	3.1
264.07846	2.3
264.57867	4.8
265.07813	2.9
269.07977	2.4
272.06744	3.1
279.03903	4.0
281.07199	2.5
302.26398	1.8
336.09665	2.0
337.05890	7.2
345.60379	2.6
346.11038	3.2
349.09576	2.9
359.11331	1.7
373.04504	2.8
397.04315	1.9
489.94354	1.7
503.32443	1.7
503.39822	2.0
517.13403	100.0
517.20282	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	517.3888
Annotation	3beta-Acetoxy-12beta,13beta-epoxy-11alpha-hydroperoxyursane
Peak:m/z	Relative Intensity
53.03951	3.5
54.89105	0.7
55.01875	9.1
55.05515	20.6
57.03432	1.0
57.07089	5.8
58.44508	0.7
65.03945	1.5
67.05507	20.2
69.07072	19.9
69.07363	0.4
69.85384	1.5
69.85803	2.4
70.35825	0.6
71.04996	0.7
71.08640	3.7
79.05494	22.3
81.03416	3.0
81.07062	19.8
83.04976	4.1
83.08153	1.2
83.08623	15.7
83.09113	0.9
85.06568	1.0
85.10200	1.1
91.05488	17.0
93.07051	18.4
95.04974	5.9
95.08614	11.5
97.06535	2.7
97.10176	10.3
98.21536	0.9
105.04544	0.7
105.07037	11.9
107.04984	2.2
107.08607	6.3
109.06538	1.4
109.10179	2.4
111.08103	1.5
111.11722	3.0
115.05505	0.7
117.07021	1.9
117.83232	0.7
119.08591	6.9
121.10144	4.5
123.08055	1.5
123.11738	1.3
127.07581	0.8
128.06242	0.7
129.07040	3.4
131.08565	1.2
132.78973	0.7
133.10144	2.9
135.11707	2.8
137.13324	0.9
143.08586	2.9
145.10175	2.0
147.08005	0.8
147.11691	7.8
161.09634	1.0
161.13274	3.2
162.13484	0.7
171.11662	6.5
171.23575	0.7
189.12816	2.6
207.13794	8.0
219.21057	1.0
222.51852	0.7
237.22134	12.9
250.59595	0.6
517.38885	100.0
518.39026	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	518.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.6
55.01870	12.0
55.05308	1.2
55.05518	12.7
57.03440	9.6
57.41061	1.6
61.02916	6.8
61.13876	1.8
65.03921	3.4
67.02584	1.4
67.05507	19.7
68.99774	2.9
69.03431	40.1
69.07065	10.4
69.28384	5.6
69.28821	7.5
71.05004	9.2
73.02940	7.9
75.04449	1.5
77.24400	1.4
79.05070	2.1
79.05497	23.3
81.03416	34.9
81.07055	58.1
83.04988	13.6
83.08610	6.6
85.02906	73.7
85.06525	3.6
87.00831	25.8
87.04464	1.7
91.05476	37.1
93.07043	100.0
95.04963	15.2
95.07686	1.9
95.08607	35.7
97.02895	26.0
97.06539	9.2
97.10146	3.1
98.20779	2.4
99.04458	15.0
105.01205	2.4
105.01861	28.8
105.04518	2.9
105.06312	2.5
105.07022	39.2
106.76170	1.7
107.05002	2.3
107.08590	43.2
109.02882	35.2
109.06516	12.6
109.10166	21.3
111.08076	32.6
113.06037	4.0
115.05406	2.2
117.01781	3.8
117.07024	5.7
119.04958	1.6
119.06100	1.5
119.07717	1.9
119.08581	29.6
121.06523	4.9
121.10144	34.5
123.08057	14.0
123.11707	6.6
125.09643	9.1
127.02975	3.5
127.03914	58.1
128.06216	1.9
129.01836	6.2
129.07016	5.7
130.08626	2.1
131.08571	17.5
133.10127	36.0
135.08041	4.6
135.11687	6.3
137.05989	10.1
137.09599	7.9
137.13203	1.8
138.06311	2.0
138.46381	1.6
139.11176	3.6
141.09100	2.8
142.07802	8.5
143.08543	8.8
144.09378	3.1
145.04958	26.1
145.10104	14.8
147.02837	4.6
147.08049	4.0
147.11700	17.2
149.09634	15.8
149.13245	3.4
151.11205	4.4
156.09280	3.2
157.10112	16.8
159.02921	18.8
159.11682	22.6
161.09605	8.9
161.13234	10.7
163.11172	4.5
165.09071	7.2
165.12685	2.8
167.10712	13.1
169.10052	1.9
171.11723	4.2
173.13281	10.0
175.11212	5.7
175.14868	7.1
177.12772	4.3
179.10632	3.2
187.14813	3.8
189.03954	2.0
189.16341	9.5
199.14845	16.6
202.05901	1.7
205.15865	3.2
213.03864	2.6
217.15877	19.6
231.05002	16.1
235.16902	24.4
253.18166	2.4
291.06183	1.8
338.10983	3.9
518.18695	1.8
518.26581	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	518.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.1
55.01861	2.3
55.05512	6.3
57.03440	5.5
58.50433	0.9
59.04973	1.1
59.49791	0.8
61.02907	2.5
65.03925	1.2
66.97456	1.0
67.05508	8.5
67.70320	1.0
68.20447	0.8
69.03093	1.2
69.03432	16.0
69.07079	5.3
71.04998	4.5
71.53158	1.8
73.02905	1.7
75.04469	6.1
75.89542	0.9
75.97385	0.9
77.03949	1.4
79.05074	1.4
79.05502	21.3
81.03422	9.8
81.07056	21.5
83.04992	6.4
83.08594	1.7
85.02915	21.8
85.06546	4.6
86.09718	1.1
87.00823	7.9
91.03973	0.9
91.05489	25.7
93.07050	100.0
95.04980	9.0
95.08617	16.0
97.02901	10.6
97.06528	4.0
97.10175	2.0
99.04451	3.7
103.05429	1.8
105.01878	7.8
105.04516	1.1
105.06319	2.0
105.07034	40.4
105.34007	1.0
107.07882	1.7
107.08600	28.5
109.02887	10.3
109.06546	6.7
109.10163	3.4
110.97612	0.9
111.08091	7.4
113.05995	2.5
116.06246	1.6
117.07011	2.2
119.08594	27.5
121.06518	4.4
121.10152	92.6
123.08068	4.9
123.11685	4.8
125.05975	2.7
125.09605	4.0
127.03921	17.3
129.01813	2.1
129.07008	2.3
131.08566	14.3
133.06494	1.2
133.07573	1.5
133.10178	5.6
135.08057	2.5
135.11639	1.1
137.06000	5.2
137.09631	2.1
139.11195	5.4
142.07788	1.7
143.08557	4.4
144.09357	1.1
145.04942	7.0
145.10132	8.1
147.02867	1.0
147.08029	1.7
147.11696	63.2
149.09636	39.2
149.10675	0.8
149.13231	1.9
157.10133	6.3
159.02917	4.1
159.11708	9.9
161.09621	4.9
161.13286	2.8
163.03925	1.9
163.11171	1.6
165.12753	8.4
167.10681	12.1
171.11699	2.1
173.13208	2.4
175.11232	1.7
175.14856	3.5
177.12755	2.2
189.12784	0.9
189.16438	4.5
190.08759	1.0
199.14850	9.8
202.05746	0.9
202.13361	1.0
209.78650	1.4
213.04021	1.1
217.15892	30.4
231.04953	4.7
235.16937	12.7
249.06107	1.0
397.15060	2.9
415.15903	2.7
465.20871	2.0
483.22437	1.2
500.17029	1.0
518.17743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.2
55.39784	0.1
56.05035	0.4
57.03431	0.2
57.76460	0.1
57.90545	0.1
58.06640	0.5
59.07404	0.1
60.08168	6.0
67.05515	0.7
69.07076	0.2
70.06592	0.1
71.07381	3.0
79.05521	0.3
81.07051	0.4
86.09709	29.3
91.05524	0.1
93.07035	0.2
95.08605	0.3
98.21513	0.3
98.98469	3.1
104.10747	2.7
107.08578	0.2
125.00009	20.6
156.07663	0.1
163.01512	0.1
184.07347	100.0
185.07718	0.2
193.19220	0.1
258.11060	0.3
281.97507	0.1
292.96515	0.1
423.48846	0.1
500.31396	1.0
518.24634	0.2
518.32465	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	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99232	0.2
55.05510	0.7
55.34439	0.2
56.05035	1.1
57.03436	0.3
58.06579	1.3
60.08165	16.8
67.05501	2.5
69.07067	0.7
70.76448	0.2
70.76756	0.3
71.07377	6.5
79.05499	2.0
81.07060	2.4
83.08618	0.3
86.09707	51.8
91.05485	1.0
93.07052	1.7
93.51046	0.2
95.04958	0.2
95.08607	1.5
98.98466	4.1
98.99058	0.4
104.10744	100.0
105.07047	0.7
105.11063	0.2
107.08595	0.7
109.10177	0.5
119.08535	0.3
121.10152	0.6
124.49260	0.2
125.00006	29.0
148.65303	0.2
163.01582	0.7
172.80827	0.2
184.07343	95.8
258.10870	1.0
335.25769	0.6
491.80017	0.3
500.31403	8.8
518.32434	33.3
519.32593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1867
Annotation	Simplexoside
Peak:m/z	Relative Intensity
50.50182	0.3
53.03949	0.5
55.01870	0.5
55.05504	0.9
56.72469	0.3
57.03452	0.4
61.02922	0.4
66.04681	0.3
69.03433	2.0
69.07068	1.0
70.06560	0.5
71.05001	0.4
71.52516	0.5
79.05481	0.7
80.97598	0.3
81.03427	0.6
83.08625	2.8
85.02910	3.2
87.04471	0.5
89.02534	0.3
91.05492	0.5
93.07068	0.4
94.04189	1.7
97.02901	1.2
102.28522	0.3
105.07014	0.4
107.04918	0.4
109.02907	0.9
109.06466	0.4
111.08089	1.0
115.05463	1.1
117.07025	1.2
119.04969	0.7
120.69378	0.3
122.03661	4.6
127.03918	1.3
129.09123	4.3
131.04887	0.4
137.05984	100.0
143.04944	7.7
145.05060	0.4
145.06441	0.5
147.04442	1.0
148.92561	0.4
151.03918	12.7
151.05038	1.1
161.05933	0.4
164.06996	0.4
165.05464	0.6
167.88414	0.3
175.07544	2.0
193.04922	0.5
203.07095	2.2
205.08632	3.2
207.13895	0.5
211.06010	1.3
229.07014	0.4
233.05553	0.3
237.11288	0.9
255.12305	0.6
260.11255	0.3
260.62930	0.3
316.66901	0.3
327.08423	0.7
327.12274	12.3
357.08981	0.5
357.13351	7.0
394.15445	0.3
434.41467	0.3
475.42386	0.3
489.18008	0.5
519.18616	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.186
Annotation	Simplexoside
Peak:m/z	Relative Intensity
51.02376	0.2
53.03950	0.2
55.01867	0.4
57.03421	0.3
61.02917	0.4
65.03922	0.4
66.04725	0.3
67.05495	0.5
69.03429	1.8
69.67952	1.1
71.04970	0.2
73.02918	0.3
77.03870	0.2
79.05486	0.3
81.03416	0.6
81.07033	0.3
84.85695	0.2
85.02910	2.7
87.04444	0.5
91.05476	0.6
94.04191	1.9
95.04992	0.2
97.02901	1.5
98.21438	0.2
98.45783	0.2
99.04373	0.2
101.02399	0.2
105.06978	0.3
107.04950	0.3
108.02046	0.3
109.02879	0.5
115.05460	1.3
116.62999	0.2
117.07052	1.0
122.03647	5.0
126.32781	0.2
127.03925	0.6
131.04919	0.3
135.04391	0.3
137.05980	100.0
137.41745	0.2
138.06354	0.3
143.04924	7.2
145.05013	0.2
145.06413	0.4
149.06018	0.2
151.03912	15.5
151.04993	1.0
153.05403	0.2
161.05975	0.5
164.07109	0.2
166.77426	0.2
175.07562	2.4
187.07501	0.3
191.07028	0.3
203.07040	1.5
205.08600	3.3
232.69795	0.2
234.06979	0.2
235.07510	0.2
247.07552	0.3
249.09209	0.3
261.09256	0.3
265.08566	0.3
267.10291	0.2
289.08588	0.3
295.09448	0.3
299.06387	0.2
301.85541	0.2
307.09793	0.3
309.11066	0.3
321.11295	0.6
327.12292	10.9
339.12393	0.6
347.12781	0.3
357.13315	7.3
448.15341	0.4
489.17804	0.6
501.18872	0.3
519.18634	36.2
520.18878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1864
Annotation	Balanophonin 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01863	6.4
57.03425	2.0
60.11232	1.4
61.02921	2.6
65.03942	1.6
67.94889	1.3
69.03417	6.7
71.11359	1.8
71.11706	3.1
75.43571	1.5
81.03416	3.6
81.07045	2.5
85.02910	20.0
87.94631	1.4
91.05448	2.7
93.03403	3.8
93.07024	2.0
94.04170	2.6
95.08605	2.5
97.02896	6.6
103.05456	6.3
105.07024	4.7
107.04951	2.3
109.06507	3.6
111.04465	2.8
111.11675	1.5
115.05428	4.0
117.07047	1.7
121.06464	2.5
122.03658	8.1
125.05961	3.7
127.03931	2.2
129.07047	3.1
131.04915	7.3
137.05984	100.0
143.04912	4.5
145.02893	2.4
145.04974	2.6
145.06517	2.6
146.03667	2.1
147.04372	3.3
149.05959	2.1
151.03922	3.4
151.07561	2.3
153.05473	3.3
155.04951	1.9
157.06482	3.0
159.07919	2.2
160.05176	3.2
161.05989	14.6
163.07544	11.2
165.05573	10.1
165.06847	2.5
171.04425	2.1
173.05989	2.2
175.06230	1.6
175.07544	9.4
177.05460	5.7
179.07051	1.5
183.04381	1.5
185.05969	4.0
187.07533	3.9
189.07001	3.2
189.09087	1.7
190.07816	3.2
191.07005	10.1
191.08607	5.6
199.07541	2.2
202.07930	1.9
203.07024	4.6
205.06494	3.1
205.08473	1.9
207.08128	2.5
215.07005	5.2
217.06639	3.7
217.08626	10.7
218.07326	5.3
219.08066	11.8
220.08829	2.9
221.06006	2.1
229.06490	3.7
231.08115	3.4
233.09706	2.0
234.06738	4.4
235.07506	6.1
236.08266	4.9
237.09038	2.7
241.38846	1.6
243.61240	1.5
244.41051	1.5
245.06216	2.2
246.06779	8.1
247.07614	11.3
248.08362	2.8
249.09171	8.8
251.07198	1.7
251.10638	4.8
257.05997	4.3
259.07437	4.9
261.09103	16.5
262.06290	2.5
263.06973	6.3
263.10675	2.1
264.07855	7.4
265.08560	4.1
266.09341	2.3
267.10059	3.5
274.06256	9.4
275.06992	6.7
276.07623	2.3
277.08585	17.3
278.09286	2.7
279.06747	1.5
279.10254	9.8
289.08554	22.2
290.09283	5.8
291.06873	3.1
291.10117	8.2
292.07437	3.4
294.08752	5.2
295.09436	3.3
296.10400	2.2
297.11292	1.9
306.08951	5.1
307.09665	43.4
308.10532	1.9
309.11160	12.8
321.11212	53.4
323.12805	14.1
327.12292	46.9
339.12277	43.6
341.13785	8.4
348.51895	1.7
357.13300	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93340	1.3
70.27195	1.2
71.50842	1.4
71.51247	1.8
73.04749	2.5
79.58318	1.0
85.02898	3.6
98.97588	2.1
111.14022	1.1
117.06992	1.4
118.06561	17.2
119.04949	1.2
130.06525	2.0
132.08080	4.3
137.05981	3.3
142.06546	2.6
143.07326	2.8
144.08090	12.0
146.04842	2.8
146.06013	58.3
147.04460	2.1
149.04593	1.2
151.05592	1.3
159.09180	4.7
162.73537	1.4
164.07008	1.3
167.05537	2.3
170.06000	3.2
181.04886	1.4
184.43483	1.1
188.07074	100.0
200.02254	1.3
205.09738	51.3
279.08649	2.8
299.06238	4.9
327.03595	1.8
339.11072	1.3
344.97647	1.2
357.14709	1.6
370.09039	1.9
442.11185	2.1
519.14301	4.0
519.21027	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62484	0.7
55.01870	1.1
55.05508	0.9
65.03928	1.1
69.03426	1.4
69.07106	0.6
70.39121	1.6
71.04981	2.3
79.05489	2.0
81.03441	1.3
81.07061	2.4
85.02907	1.2
85.06537	1.0
91.05466	4.6
92.08363	0.7
93.07048	1.2
94.04183	3.3
95.04938	0.9
95.08627	1.0
97.02910	0.7
97.10199	1.0
103.05470	2.1
105.07028	2.8
106.76263	0.7
107.04967	2.0
107.08601	2.1
109.02868	0.7
109.06519	2.5
109.10202	0.6
110.03628	0.6
113.06001	2.3
115.05471	1.6
117.07017	1.1
119.04943	2.9
119.08595	0.9
121.06510	1.4
121.10175	1.6
122.03669	8.3
124.03153	0.6
125.09641	3.0
128.06328	1.6
129.07016	2.6
131.04903	3.3
131.08582	1.1
133.02873	2.3
133.06514	1.4
134.03635	0.6
137.05992	100.0
141.07018	1.2
143.04991	0.9
143.10678	7.5
145.06444	1.2
146.03661	1.6
147.04440	2.0
149.05997	2.4
151.03922	3.9
151.07553	6.5
155.59810	0.9
157.06503	2.1
159.02818	0.6
159.08089	1.3
160.05234	2.1
161.06003	12.7
163.07561	1.9
165.05486	1.5
165.06836	0.7
165.12840	0.7
167.07039	1.7
171.08064	0.9
171.11876	0.8
172.05342	0.9
174.06778	2.9
175.07539	9.0
177.05458	4.5
179.07106	1.9
181.06470	0.9
187.07535	7.1
189.07663	0.7
189.09077	4.2
191.07077	2.2
194.07256	0.9
195.08153	1.2
198.06824	1.5
199.07529	2.2
201.09087	1.3
201.16328	1.0
203.08670	1.5
205.08626	0.8
207.08104	1.0
210.06870	1.4
211.07629	3.3
213.09123	2.3
215.08684	1.2
217.08609	2.7
218.07298	1.4
219.08125	1.1
219.10220	0.7
220.08960	0.7
221.09602	1.0
222.06732	0.8
225.09148	1.4
226.06151	0.9
227.06926	1.0
231.08023	1.5
232.08932	1.2
233.09668	1.3
234.06754	1.1
235.07570	2.3
235.17049	1.8
237.09155	1.8
239.07179	1.3
241.08658	4.9
243.08131	1.3
245.09689	1.6
246.06770	0.8
247.07581	1.6
248.08353	1.2
249.09142	2.4
251.07069	2.1
252.07884	0.9
253.08580	1.6
255.08173	1.4
259.07388	1.2
260.08313	1.1
261.09161	3.9
263.07016	1.3
263.10828	0.8
264.07898	1.4
265.08652	3.8
266.09509	0.9
267.10092	0.8
268.07324	0.8
269.08133	0.8
270.08890	1.6
271.07648	0.7
272.08322	1.9
273.09143	1.5
274.10025	1.2
275.07022	0.9
275.10706	3.3
276.08008	1.2
277.08652	3.4
277.12515	0.7
278.09357	1.4
279.06689	0.9
279.10162	1.2
280.07385	1.0
282.08917	0.8
283.09775	2.7
284.08231	0.9
285.08926	1.0
287.10739	1.9
289.08585	3.7
290.09454	1.5
291.10208	2.7
292.07263	1.1
293.08380	1.2
293.11728	2.4
294.08957	2.2
295.09851	3.6
297.08044	1.2
297.11179	5.5
300.08014	1.0
301.08649	3.8
302.09396	1.2
303.10315	2.9
304.11041	1.2
305.08206	1.4
305.11731	1.0
306.08978	1.1
307.09732	4.2
307.13019	1.0
309.11267	3.5
315.09683	4.6
316.10962	1.6
317.08350	1.6
317.11865	0.9
319.09769	1.3
320.10464	2.4
321.11227	7.6
322.12045	0.8
323.12830	2.2
324.13571	0.7
325.10931	1.4
327.09927	0.9
331.09637	1.7
332.10580	3.6
333.11313	1.5
335.12912	8.3
337.14355	0.8
339.12405	2.8
342.08948	1.1
343.09570	0.9
344.10529	1.2
345.11295	1.3
346.11990	2.2
347.09061	1.2
347.12848	11.5
351.12961	0.8
353.14246	1.1
355.09399	1.3
356.10486	1.2
357.13275	3.0
359.12811	1.6
365.13864	14.8
367.09586	0.7
369.11331	0.8
370.08429	1.0
371.09134	1.0
372.09927	1.6
377.14078	6.0
379.09030	1.0
383.09262	1.3
384.10043	1.2
385.10782	2.4
386.11508	1.5
387.12399	2.8
393.11633	1.0
395.14966	9.4
399.12433	2.3
411.16043	0.9
413.14120	1.1
414.10889	1.4
415.11685	4.7
417.13416	1.8
418.14200	1.0
427.15683	0.9
429.13541	3.5
430.14212	3.0
439.15448	2.0
442.14761	0.7
443.14679	1.1
448.09045	1.5
448.15222	27.0
449.15881	5.3
451.15765	1.1
461.15567	4.1
468.15955	0.9
469.16275	1.1
470.17328	1.4
471.18155	2.5
483.18011	2.6
487.17633	2.6
489.19043	2.0
501.19122	15.2
519.20154	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
53.59712	0.5
55.01876	1.5
58.26611	0.7
65.03935	0.6
67.05499	1.5
69.03418	2.4
69.07066	0.9
69.40343	4.0
71.05000	1.3
76.96745	0.7
79.05485	3.7
81.03422	2.1
81.07058	3.4
83.04987	0.8
83.40717	0.7
85.02909	2.0
89.52454	0.7
90.97132	0.6
91.05484	5.9
93.07024	2.0
94.04170	3.8
95.04962	1.3
95.08610	2.3
97.02910	0.7
103.05469	2.3
105.07027	2.8
107.04958	1.7
107.08589	2.9
109.02882	0.9
109.06522	2.1
109.10169	1.8
111.04436	0.8
115.05477	1.4
117.07045	1.5
117.60809	0.6
119.04993	3.2
119.08589	2.0
121.06504	1.1
121.10158	2.0
122.03653	6.1
123.04333	0.8
123.11765	0.8
124.82780	0.8
127.03929	0.9
128.06238	1.9
129.06992	2.8
131.04964	4.3
131.08569	0.9
133.02802	0.8
133.06491	1.5
133.10123	1.4
135.04393	1.1
137.05983	100.0
141.07022	1.1
143.04944	1.0
143.10735	1.2
144.05664	0.8
145.06491	1.8
146.03607	1.1
147.04399	1.7
147.08012	0.8
147.11697	1.0
149.05978	2.7
149.09581	0.6
151.03949	6.0
151.07559	4.5
157.06519	2.1
158.07263	0.8
159.08066	1.4
159.11703	0.8
160.05235	1.8
161.05980	9.9
162.06810	1.5
163.03860	1.0
163.07558	2.5
165.05461	1.2
165.06979	1.4
167.07033	1.0
171.08046	0.9
171.11678	0.8
174.06779	2.3
175.07564	9.3
177.05476	3.0
177.09087	1.5
178.08067	0.7
179.07069	1.2
179.45413	0.7
181.06549	0.8
187.07561	5.4
189.05508	0.9
189.09117	5.8
191.06990	2.9
191.91824	0.6
194.07294	0.9
195.08099	1.0
197.05988	0.8
198.06784	0.8
199.07567	2.1
201.09143	1.5
203.08583	0.7
205.06526	1.3
205.08531	1.8
207.08134	0.8
210.06743	0.9
211.07552	2.4
213.09134	2.0
215.08557	1.5
217.08554	3.8
218.07341	1.1
219.08109	2.0
221.06049	1.4
221.09682	0.9
222.06964	0.8
223.07556	1.5
225.09082	1.5
226.06200	1.5
227.06898	1.4
229.08513	1.2
231.08084	1.8
232.08826	1.1
233.09618	1.9
234.06758	1.2
235.07603	2.0
237.09113	1.2
240.07838	1.0
241.08554	4.6
243.08112	0.8
245.09724	1.3
246.06845	0.7
247.07542	2.0
248.08330	1.3
249.09143	2.0
250.06224	1.0
251.07051	1.7
253.08575	1.3
254.09319	1.0
255.08078	0.9
259.07507	1.5
260.08279	2.1
261.09216	3.1
262.06277	1.0
263.07156	1.9
263.10733	1.2
264.07785	1.6
265.08554	3.7
266.09601	0.9
267.10162	1.8
269.08154	1.0
270.08932	2.7
271.07492	1.3
272.08344	2.7
273.09143	1.8
275.10736	1.6
276.07880	0.8
277.08588	3.8
277.11966	0.7
278.09467	2.1
279.06546	0.7
280.07620	1.0
282.08932	0.9
283.09650	2.8
284.08344	1.6
287.10687	2.1
288.07819	1.0
289.08600	3.7
290.09464	1.0
291.06537	0.8
291.10168	2.6
293.08267	1.3
293.11746	2.1
294.09000	1.8
295.09665	4.0
295.76523	0.6
297.07889	1.3
297.11237	3.7
299.07175	0.8
300.07916	1.2
301.08667	2.7
302.09399	0.9
303.07135	0.7
303.10129	3.3
305.08191	1.9
305.11737	0.9
306.08823	1.4
307.09543	4.1
307.12741	0.6
308.10434	0.8
309.11301	2.5
312.07642	0.7
315.09668	4.2
316.10812	1.0
317.08002	1.6
317.11633	1.4
319.09610	0.9
320.10535	2.8
321.11264	5.5
323.12759	2.4
323.18634	1.1
325.10791	1.7
331.09753	1.7
332.10239	3.3
333.11102	1.9
335.12857	7.6
337.10559	1.1
337.14526	1.5
339.12485	1.4
341.08099	0.9
342.08954	1.0
343.09460	1.3
344.10294	1.2
345.11237	1.1
346.12061	0.9
347.12845	9.8
353.13614	0.8
355.09842	1.9
356.10529	1.5
357.13391	3.5
359.12845	2.0
365.13843	13.2
367.09442	0.8
371.09033	1.6
372.09930	2.6
377.13815	5.1
383.09103	1.0
384.09772	1.6
385.10803	2.0
386.11624	1.7
387.12302	3.8
395.14883	9.3
397.11108	0.8
399.07935	0.9
399.12280	2.3
413.13727	1.0
414.10876	2.3
415.11716	4.5
417.13290	2.4
418.14069	2.4
427.15616	1.1
429.13321	4.8
430.14017	4.9
431.14957	1.0
437.14072	0.6
439.15707	1.6
443.15042	1.3
448.15213	31.4
449.15799	4.5
451.15262	1.1
458.17242	0.9
459.17963	1.2
461.15640	4.0
470.17026	0.8
471.17920	2.6
475.17255	0.7
483.17883	2.5
487.17657	3.8
489.18967	2.0
501.19211	14.6
519.20166	19.0
519.27948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18756	5.1
52.50712	4.8
53.03952	7.5
54.35602	4.4
55.01874	10.0
55.05507	15.4
57.03448	5.3
61.02911	4.5
65.03934	6.1
67.05499	18.6
69.03427	18.7
69.07069	13.5
70.89784	10.1
71.04983	7.1
79.05487	21.5
81.03426	14.6
81.07056	96.1
83.04981	12.7
85.02906	39.8
87.00816	17.3
91.05489	42.3
93.07050	100.0
95.04984	7.3
95.08623	47.3
97.02897	20.3
97.06557	5.1
98.35991	4.9
99.04443	7.5
102.64143	4.8
105.01872	23.0
105.07030	68.5
107.08601	53.6
109.02908	11.6
109.06543	10.9
109.10171	33.6
111.08110	8.7
117.06995	8.2
119.08596	43.1
121.10145	51.3
122.03633	6.0
123.08076	4.8
123.11726	17.5
125.09620	8.8
127.03934	27.1
129.07033	5.5
130.07817	7.0
131.08536	23.8
133.10147	62.1
135.08054	14.7
135.11693	10.8
137.06000	37.8
137.09610	5.5
138.06302	13.8
144.09396	5.2
145.05002	10.7
145.10127	66.8
147.11691	12.8
149.09695	7.2
149.13226	5.0
151.03883	7.1
159.02933	5.7
159.11716	49.7
161.13260	37.2
163.07497	5.0
163.11180	16.0
165.05508	6.7
165.51711	4.6
173.13240	19.7
175.07623	5.7
175.14783	5.4
183.11617	4.7
191.14282	17.1
191.18044	8.4
201.16393	58.4
214.18077	11.4
219.17455	56.2
220.08681	4.7
231.05063	6.1
248.07965	7.1
249.06065	6.0
265.08115	8.6
277.08527	6.7
278.09149	4.8
290.08926	8.4
302.90143	5.6
308.10095	13.7
310.11597	9.0
322.11575	16.5
324.13263	5.2
328.12668	12.3
340.12732	16.0
532.02777	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	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45689	2.3
53.03928	3.1
55.05503	10.8
57.07045	3.5
58.33384	2.6
59.05004	5.6
63.69069	2.5
63.82829	2.4
67.05493	11.7
69.03428	15.3
69.07066	7.5
70.73032	8.2
70.86390	2.6
71.04992	23.0
71.10943	2.5
79.05492	21.6
79.42600	2.5
80.83294	2.8
81.03384	7.5
81.07063	65.7
83.08643	2.7
85.02917	19.4
85.06530	11.9
87.00834	8.3
91.05489	19.5
93.07050	35.1
95.04987	6.2
95.08614	26.3
97.02904	11.1
97.06525	7.6
97.10144	3.4
99.04457	4.4
99.08090	13.7
103.05476	3.1
105.01876	11.8
105.07037	76.4
107.08596	41.5
109.02901	6.0
109.06553	3.9
109.10145	24.8
113.09595	2.8
117.07028	5.1
119.08582	26.0
121.06518	4.2
121.10145	25.2
123.11739	20.2
125.09627	36.2
127.03921	15.2
127.07529	9.0
127.11250	4.1
131.08546	13.2
133.10136	100.0
133.27747	2.6
135.11728	13.3
137.05942	16.0
138.06326	5.6
143.10681	95.7
144.09288	3.0
145.04961	7.3
145.10147	20.7
147.11705	34.8
149.13277	15.0
151.11188	22.8
159.02876	3.0
159.11720	24.2
161.13300	15.6
162.59674	3.1
167.14363	10.9
169.12221	8.3
175.07541	2.7
194.75226	3.0
201.16382	31.7
219.17441	75.2
237.18549	22.7
315.87006	3.2
358.16422	10.7
433.55023	2.9
520.20074	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	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.9
55.01864	5.8
55.05510	7.8
67.05499	12.2
69.03431	9.8
69.07066	8.6
69.25272	21.4
71.04991	6.4
79.05492	19.4
81.03416	8.2
81.07063	100.0
85.02918	17.4
85.06545	4.7
85.72893	2.0
87.00832	8.8
87.74073	2.2
91.05486	16.3
93.07053	39.9
94.16384	2.7
95.04994	6.0
95.08607	23.3
97.02901	6.9
97.10107	2.6
98.20793	4.4
99.04438	3.2
105.01884	4.4
105.07037	35.7
107.08605	33.5
109.02882	8.8
109.06525	6.3
109.10176	27.1
111.08115	7.8
117.07006	7.3
119.08586	25.1
121.10160	26.8
121.62437	2.0
123.08081	8.4
123.11712	8.6
125.09650	5.9
127.03931	10.2
130.07808	2.5
131.08585	19.4
133.10141	33.0
135.08047	5.5
135.11717	9.9
137.05974	4.5
137.09619	6.5
144.09337	4.5
145.04993	4.9
145.10130	41.8
147.11687	7.4
149.09619	5.2
149.13255	7.3
151.11192	8.1
159.02945	3.8
159.11694	27.3
161.13277	16.0
163.11185	22.2
165.12756	5.4
173.13240	6.4
175.14955	4.5
177.12756	4.4
177.16391	3.1
191.17955	3.0
201.16412	44.8
219.17442	69.0
231.04907	2.6
237.18410	3.2
311.53778	2.4
374.19250	2.5
449.09003	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	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.3
55.01857	5.4
55.05502	16.8
61.02933	4.7
67.05503	28.6
69.03439	28.7
69.07076	100.0
69.34443	33.1
71.04976	8.0
79.05489	21.9
81.03428	26.5
81.07063	83.4
83.04955	6.7
83.08625	11.0
85.02908	55.6
85.06548	6.8
87.00840	20.4
91.04962	3.7
91.05485	20.0
93.07053	52.6
95.04950	18.5
95.08615	39.6
97.02895	21.2
97.06545	49.4
97.10178	4.4
99.04475	9.4
105.01861	31.2
105.07046	46.9
107.08591	49.5
109.02879	22.2
109.06514	10.2
109.10166	69.9
111.08080	15.1
111.11729	10.5
112.62022	3.9
113.09635	4.8
117.07051	9.4
119.08588	26.0
121.10150	28.0
123.08072	4.7
123.11710	74.7
125.09578	5.3
127.03924	36.3
127.11201	6.9
131.08548	14.3
131.09436	3.8
132.91039	4.6
133.10149	30.2
135.08031	7.6
135.11710	19.9
136.73567	3.3
137.05994	15.4
137.09593	6.2
138.06267	4.9
139.11189	11.3
144.09319	4.8
145.04970	20.7
145.10118	25.1
147.11606	8.7
149.09644	4.4
149.13272	7.4
151.07545	29.5
151.11223	27.0
152.07863	10.0
157.10094	4.1
159.02898	13.5
159.11690	34.5
161.06030	8.8
161.13260	22.6
163.11194	9.9
165.09227	5.9
169.12228	8.3
173.13206	6.7
175.07536	4.3
175.14789	7.4
177.09073	5.4
177.12764	11.9
177.16376	4.3
189.16374	8.0
191.17993	10.4
201.16396	29.7
219.17473	45.1
231.04977	13.5
237.18498	17.3
249.06023	5.1
277.49408	3.9
300.13092	5.9
358.13782	4.4
403.05270	4.3
519.43158	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	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.9
55.01876	6.6
55.05505	8.8
55.06071	2.1
55.25888	2.2
57.03434	5.7
57.07092	2.8
57.60506	2.3
59.05011	2.4
65.03937	2.8
67.05500	16.4
68.99803	3.3
69.03433	27.9
69.07077	13.2
69.14464	24.5
71.04996	9.6
73.02918	2.9
79.05495	14.2
81.03419	17.7
81.07069	42.1
85.02911	61.4
87.00836	27.7
89.83459	2.3
91.05490	22.1
93.07053	69.9
95.04997	5.6
95.08610	30.9
97.02902	33.8
98.21584	3.0
99.04469	6.8
103.05444	2.5
105.01873	33.4
105.07038	31.2
105.67881	3.1
107.04929	2.4
107.08609	100.0
109.02892	18.7
109.10172	19.4
112.96369	2.7
117.01891	3.1
117.07055	4.5
119.08576	15.8
121.10153	42.3
123.08072	3.5
123.11707	9.6
127.03939	39.0
129.06932	2.8
131.08577	9.3
133.10132	23.9
135.11668	4.4
137.05952	4.8
138.38156	2.3
139.37334	2.4
143.08638	2.7
145.04974	21.7
145.10191	21.3
147.11700	9.6
149.13277	85.5
151.11133	3.6
151.14796	6.1
159.02916	13.5
159.11719	18.2
161.13235	12.1
167.14354	18.2
173.13235	6.1
177.12669	3.1
183.10193	2.6
191.14325	4.6
196.37379	2.2
201.14590	3.4
201.16350	23.3
203.18047	3.6
219.17464	20.1
231.04999	12.2
257.15384	6.2
275.16489	7.2
361.16446	7.1
477.59747	2.5
514.77881	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45549	0.1
54.33167	0.1
55.05503	0.2
56.05041	0.6
57.03445	0.1
58.06633	0.6
59.07391	0.2
60.08167	5.9
60.63641	0.1
67.05508	0.6
69.07066	0.3
69.98396	0.4
70.06561	0.1
71.07375	3.2
79.05479	0.2
81.07047	0.4
83.08621	0.1
86.09708	30.0
93.07040	0.2
95.08575	0.4
98.98470	2.9
104.10745	2.4
109.10133	0.2
119.08514	0.1
125.00010	19.7
129.69359	0.1
131.66727	0.1
132.12538	0.1
184.07347	100.0
185.07700	0.3
258.11014	0.2
337.27307	0.2
348.09854	0.1
502.32928	1.1
510.16138	0.1
520.26752	0.2
520.34003	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3401
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05511	1.3
56.05034	1.5
57.03437	0.4
58.06581	1.2
59.07388	0.4
60.08167	17.7
67.05505	3.4
69.07084	1.5
70.57233	0.5
71.07381	6.6
72.13830	0.2
79.05492	0.9
81.07064	2.7
83.08620	0.6
86.09711	52.0
91.05487	0.6
93.07045	0.8
95.08610	2.0
98.98473	3.2
104.10749	100.0
105.07027	0.4
106.06648	0.2
107.08629	0.4
109.10183	0.6
119.08568	0.3
121.10168	0.3
125.00011	29.6
135.11687	0.3
163.01575	0.6
183.71709	0.2
184.07347	93.4
198.05936	0.2
217.01735	0.2
223.79004	0.2
258.11243	1.0
258.43805	0.2
337.27380	0.6
443.25653	0.3
449.28619	0.2
502.32959	8.7
520.34015	32.9
521.34711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01875	0.8
59.63085	0.4
69.23318	1.5
69.23740	2.1
79.05502	1.0
83.32838	0.4
85.02916	0.9
90.53444	0.4
95.04963	0.8
96.41335	0.4
96.98580	0.4
101.94701	0.6
103.05470	55.3
105.04490	0.7
105.07028	4.4
106.95036	0.5
115.05456	1.1
119.04979	0.9
131.04933	100.0
133.06506	3.1
137.05995	4.1
143.06000	0.5
147.04417	2.0
153.27011	0.5
161.05986	10.4
163.07550	32.3
170.86765	0.4
175.07552	1.1
187.07591	1.9
193.75859	0.5
207.06566	0.5
261.66727	0.4
268.43365	0.5
311.12796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
51.96756	0.7
54.21021	0.6
55.01871	1.4
57.03448	0.8
65.03934	3.2
67.05508	1.3
69.03397	1.0
70.08649	2.5
77.03903	0.8
79.05494	2.2
81.03398	0.7
81.07059	2.1
83.03935	0.8
83.04973	1.3
85.02891	1.9
89.03940	0.7
91.05485	11.9
93.03388	3.7
93.07037	2.0
94.04199	0.8
95.04974	1.8
95.08607	1.5
97.02850	1.0
100.11246	0.7
103.05471	3.2
105.07021	4.1
106.04140	1.1
107.04970	6.8
108.05714	2.6
109.06524	1.6
111.04427	4.7
115.05465	2.8
117.07019	2.6
118.04200	1.0
119.04947	4.1
119.08576	0.9
121.06527	8.4
122.03654	2.8
123.04421	1.1
125.05994	5.9
127.03963	1.5
129.06985	1.3
131.04939	6.8
132.05739	1.0
133.06516	1.0
135.04439	3.2
135.08063	1.7
135.11768	0.9
136.05185	5.1
137.05981	37.6
143.04907	2.2
145.06505	5.7
145.10210	0.8
146.03618	2.7
146.07269	13.1
147.04407	2.0
147.08032	2.9
149.05977	7.2
149.09628	1.1
151.07545	100.0
152.07938	0.9
153.05476	14.6
153.06853	1.3
154.07779	1.2
157.06509	1.4
158.07309	0.8
159.08031	1.7
159.11748	0.8
160.05222	2.0
161.06000	18.0
162.06754	2.5
163.07561	8.6
163.10997	0.8
165.05600	1.4
165.07004	14.5
165.09142	2.4
167.08585	4.6
168.05652	0.8
169.06583	0.9
171.08044	1.1
172.08853	1.8
173.05991	1.1
174.06778	2.0
175.07556	18.5
176.08249	1.5
177.05573	1.4
177.06897	1.6
177.09116	37.9
179.07108	1.6
179.08563	3.4
181.06418	3.6
182.07283	6.1
187.07582	4.0
188.08345	3.2
189.09105	23.6
191.07016	3.3
191.08559	1.0
191.10678	1.3
193.06520	14.8
194.07303	1.5
195.08041	4.7
196.08751	3.7
197.09682	3.4
199.07610	2.6
201.05588	0.9
201.09108	2.1
203.10681	2.6
205.08615	0.9
207.08084	3.0
209.05997	1.7
210.06776	13.3
211.07538	2.6
212.08286	1.1
213.09128	2.5
217.08575	1.0
218.07501	1.0
219.08018	1.1
219.10080	1.1
220.05180	1.0
221.05972	25.4
222.06868	1.8
223.07576	2.6
224.08307	7.4
225.09103	22.6
227.07181	3.7
227.10719	3.4
235.07535	2.9
237.05446	1.8
237.09116	0.9
238.06206	7.3
239.07111	3.7
239.10571	4.4
241.08623	2.1
247.09554	3.9
249.09024	1.3
251.07153	1.3
251.10498	1.6
252.07785	7.1
253.08595	27.4
254.09349	1.0
255.06570	2.8
255.10132	2.2
267.10153	15.8
269.07770	0.8
270.08920	4.1
277.08575	1.0
279.10318	1.4
285.11218	83.3
287.12894	5.0
291.10287	1.3
297.11301	1.0
299.12866	3.7
305.11673	2.2
307.09854	1.2
309.11163	0.9
311.12555	1.6
319.13251	2.4
321.11212	1.2
323.12781	1.5
325.10641	1.7
327.12408	1.6
329.11597	1.5
333.11069	0.8
337.14423	2.0
339.13162	1.5
340.13586	2.1
347.12753	2.8
351.15915	19.6
355.15652	1.0
361.14169	1.2
365.13791	1.8
368.12753	1.4
369.17041	6.7
379.15417	6.6
397.16498	4.0
424.59802	0.7
453.16882	1.3
471.18198	3.4
475.21072	2.0
485.19586	2.2
489.18784	1.9
503.20642	23.7
521.21411	14.1
521.40033	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42021	2.0
55.01871	2.6
55.49760	2.2
57.03431	2.3
69.03418	3.3
69.07078	3.5
71.06878	3.5
71.07196	2.4
79.05477	5.4
81.07051	7.7
83.04958	2.8
85.02898	4.4
89.54333	2.5
91.05482	16.9
93.03398	5.4
93.07028	7.0
95.04980	2.7
95.08600	6.8
97.02915	2.9
97.06539	2.4
103.05459	7.2
105.06983	4.5
107.04947	8.9
107.08601	3.9
109.06490	2.9
109.10174	4.9
111.04440	4.0
115.05454	5.2
119.04918	5.3
119.08604	3.6
121.06487	8.7
121.10146	3.7
122.03693	3.8
122.71938	2.4
125.06015	6.6
127.18597	2.4
131.04930	9.0
133.06505	2.8
133.10107	3.4
135.04445	2.1
137.05991	43.1
145.06468	4.8
146.03619	4.2
146.07298	15.2
147.11737	2.8
149.05974	6.0
151.04036	3.1
151.07558	85.3
153.05504	16.2
153.06697	3.6
160.05231	2.4
161.05963	19.0
163.07542	13.7
165.05669	3.4
165.06964	15.3
167.08604	4.3
175.07555	21.2
177.09117	39.1
179.08563	3.8
181.06558	3.0
182.07269	6.8
187.07500	3.5
189.09137	27.2
189.10796	3.4
191.06999	3.2
193.06487	21.3
197.09627	3.3
199.07526	3.5
201.09171	2.9
203.10469	2.7
209.06044	2.8
210.06763	15.0
211.07492	4.7
221.06020	30.6
224.08330	8.6
225.09134	29.7
227.07072	4.8
227.10622	5.2
235.07524	3.3
238.06227	8.7
239.10641	3.0
247.09616	4.3
252.07922	4.3
253.08649	35.4
255.06499	3.5
267.10196	20.5
267.46170	2.5
270.08868	5.3
285.11221	100.0
287.12897	3.9
299.12802	4.1
347.12610	3.4
351.15945	24.8
369.16928	9.5
378.19809	2.7
379.15280	8.3
397.16550	3.8
417.11481	2.4
466.13406	2.5
471.17990	4.2
503.20721	31.1
521.20447	12.7
521.28558	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	521.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01864	1.0
65.03943	3.6
66.04720	0.6
67.05506	1.1
69.03429	1.4
70.99990	0.5
71.00311	1.0
79.05492	2.1
81.03436	0.7
81.07058	2.0
83.08632	0.5
85.02908	1.1
91.05486	12.3
93.03431	4.1
93.07062	1.3
94.04197	1.8
95.04977	2.2
95.08617	1.4
103.05473	4.4
105.04591	0.6
105.07034	3.6
106.04150	0.6
107.04956	6.8
107.08585	1.4
108.05769	2.8
109.06522	1.6
109.10149	1.0
111.04443	3.1
115.05451	3.2
115.86924	0.5
117.07043	3.1
118.04179	0.9
119.04955	5.0
119.08572	0.9
121.06526	8.7
121.10143	1.1
122.03645	2.5
123.04453	1.3
123.11702	0.6
125.05997	5.0
128.06244	0.8
129.07007	0.8
131.04922	8.0
132.05659	0.7
133.06523	2.0
134.03624	0.7
135.04414	2.5
135.08057	1.6
135.11688	0.7
136.05183	4.6
137.05992	39.6
143.04967	1.9
144.05724	0.8
145.06480	5.1
145.10197	1.0
146.03662	3.9
146.07275	12.9
147.04437	2.9
147.08067	3.1
149.05995	7.0
150.06749	0.7
151.07555	100.0
152.06187	1.4
153.05484	14.4
153.06842	1.1
154.07767	1.1
155.08452	0.5
157.06511	1.3
158.07300	0.8
159.08147	1.4
160.05238	2.1
160.13356	0.6
161.06006	17.8
162.06740	3.7
163.07565	10.1
165.05531	2.0
165.06981	14.6
165.09081	3.8
166.07761	0.8
167.08546	4.0
168.05849	0.7
172.08841	2.1
173.06013	1.7
174.06760	1.6
175.07565	17.9
176.08319	1.4
176.63895	0.6
177.09122	36.2
178.07793	1.0
179.07094	1.3
179.08603	3.6
181.06506	4.2
182.07309	7.2
183.08041	1.0
187.07602	4.0
188.08325	2.9
189.09129	25.2
191.07034	2.7
191.08644	0.9
191.10612	1.2
193.06519	15.4
193.08298	1.2
193.85934	0.6
194.07388	1.4
195.08061	5.2
196.08884	2.6
197.06075	1.2
197.09679	2.8
198.06783	0.7
199.07576	2.1
201.05435	1.2
201.09120	2.1
203.10684	4.1
205.08588	1.0
207.08083	2.7
209.06033	3.5
209.09619	0.7
210.04767	0.7
210.06769	13.7
211.07503	3.3
212.08186	0.9
213.09090	2.6
217.08549	1.0
219.08087	1.2
221.05992	26.9
222.06696	1.2
223.07559	2.9
224.08339	8.2
225.09119	21.4
227.07066	4.2
227.10623	3.9
235.07607	3.0
237.05490	1.9
237.09132	0.7
238.06265	7.0
239.07086	2.4
239.10710	3.3
241.08615	1.4
242.09276	1.4
247.09692	2.5
249.09035	0.9
251.07088	0.8
251.10744	1.2
252.07843	6.5
253.08621	28.1
254.09410	2.0
255.06485	3.8
255.10133	2.5
261.09180	0.8
263.10764	0.8
267.10175	18.0
269.08044	1.0
270.08884	3.7
275.10687	1.0
279.10333	1.6
285.11240	87.1
287.12921	4.7
293.11795	0.9
294.09015	0.8
297.11279	1.4
299.12811	5.0
304.10724	0.8
305.11731	2.2
307.09888	0.7
307.13181	0.7
309.11429	1.2
311.12717	1.8
319.13431	1.8
320.14136	1.1
323.12839	1.3
325.10776	2.0
327.12317	1.0
330.12393	0.8
335.12790	0.7
337.14423	1.7
347.12753	2.3
351.15933	19.2
355.15515	1.1
361.14294	1.6
365.13864	2.5
369.17029	7.7
379.15442	7.2
397.16592	4.0
411.15820	0.8
453.16849	1.7
471.17886	3.8
475.21204	1.8
477.65317	0.6
485.19400	2.3
503.20703	27.2
521.21478	7.0
541.73151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.1
51.32204	1.1
53.03945	3.5
55.01857	3.7
55.05275	2.0
55.05516	24.7
57.03441	14.6
57.07084	11.2
67.05509	13.5
68.46819	1.4
69.03443	1.7
69.07071	26.2
69.25983	2.3
69.26385	8.5
71.08638	9.4
73.78236	1.3
79.05499	13.9
79.52856	1.0
81.03425	76.6
81.07063	16.1
83.04989	5.7
83.08622	34.0
85.02908	2.6
85.10161	4.0
86.92010	1.1
91.05486	15.9
93.07050	10.9
93.25475	1.1
95.04977	17.9
95.08615	10.1
97.02874	1.4
97.06538	2.7
97.10174	17.0
98.21622	1.4
105.07045	10.5
107.04971	7.5
107.08591	7.7
109.06494	2.6
109.10149	3.4
111.04473	1.4
111.08089	6.9
111.11703	3.8
119.08593	13.8
121.06493	2.4
121.10151	6.2
123.08092	2.3
123.11736	1.9
125.09686	1.8
129.06993	8.3
131.08574	7.3
133.06470	3.3
133.10153	4.2
135.11681	3.3
135.20857	1.1
139.23772	1.2
139.26103	1.1
142.07759	2.1
144.30966	1.1
145.10173	2.2
147.08028	3.2
147.11682	6.8
149.09636	4.1
157.10161	7.9
163.11255	3.1
175.11166	6.1
192.69508	1.3
193.12250	36.8
209.11693	2.2
211.13281	4.1
221.15395	1.6
223.44724	1.4
249.14903	4.0
267.15933	100.0
273.46686	1.2
311.25833	64.9
429.33804	2.3
503.37372	29.8
521.38129	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	521.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01870	2.3
55.05516	24.8
57.03439	5.6
57.07079	5.9
64.07404	0.9
67.05510	32.2
69.03432	1.8
69.07074	26.1
69.40580	3.3
69.41004	4.4
71.04998	2.6
71.08627	3.3
71.33041	1.0
77.72933	1.0
78.59798	0.8
79.05070	1.7
79.05497	20.6
81.03423	34.6
81.07059	36.8
83.04989	7.1
83.08621	25.2
85.02915	15.2
85.06532	2.4
85.10141	1.1
91.05486	19.1
93.07046	19.5
95.04974	14.9
95.08611	26.5
97.02911	2.8
97.06534	4.0
97.10176	9.5
99.08086	1.8
105.07033	12.4
107.04965	3.6
107.08588	9.9
109.06539	2.4
109.10167	8.1
110.14073	1.0
111.04436	2.4
111.08095	6.0
111.11734	1.9
112.59454	1.0
113.06036	1.4
113.09673	0.9
117.07033	1.8
119.08594	10.1
121.06539	1.3
121.10147	14.8
122.83350	1.3
123.08097	1.5
123.11720	5.2
125.09625	1.7
129.06967	4.7
131.08578	6.0
133.06558	2.1
133.10156	4.9
135.11688	8.6
136.93089	1.2
137.09702	1.3
137.13257	1.8
145.10109	1.3
147.08070	1.4
147.11710	6.7
149.09601	2.9
149.13278	3.0
157.10091	6.7
158.79079	1.0
163.11165	1.8
172.95251	1.1
175.11203	5.3
184.07404	1.8
193.12257	26.3
195.44016	1.0
209.11809	2.1
211.13306	33.2
219.21095	2.7
237.22209	5.9
267.15924	10.4
269.83252	1.2
293.12265	1.1
311.25830	6.7
429.33795	2.7
470.80179	1.3
503.37683	5.7
518.43750	1.6
521.38409	100.0
522.38605	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64867	0.7
53.03951	1.9
55.01878	3.2
55.05518	11.7
57.03445	1.9
57.07081	23.9
64.02402	0.6
65.03979	0.9
67.05508	22.2
69.03466	0.8
69.07072	9.5
70.08224	1.0
70.08606	1.2
71.05023	2.3
71.08639	16.9
71.09013	1.1
79.05501	18.3
79.86646	0.7
81.03425	5.5
81.07061	24.2
83.01375	0.8
83.05005	3.4
83.08626	13.3
85.02908	1.0
85.06549	1.0
85.10189	7.8
91.05484	6.7
93.07050	24.3
95.04975	5.3
95.08618	36.9
97.02938	2.4
97.06565	2.3
97.10162	4.1
99.04480	3.5
105.07034	6.1
105.82552	0.7
107.04957	8.0
107.08599	17.8
109.06558	2.2
109.10162	9.3
111.04483	1.5
111.08120	1.2
111.11800	0.9
115.05406	0.7
117.07029	7.2
119.08601	7.9
121.06520	3.6
121.10152	8.8
123.08083	1.4
123.11745	2.4
125.06063	2.8
125.09692	0.7
130.07822	1.4
131.08612	0.9
133.10141	1.3
135.08092	1.2
135.11702	29.2
137.13312	1.2
139.07597	1.0
143.08569	0.8
145.10141	18.5
147.11723	0.8
153.12775	1.6
155.08690	0.6
156.32930	0.8
157.10196	1.2
159.11697	0.9
163.11198	43.1
173.09708	1.4
181.12262	10.4
181.13722	0.9
191.10728	1.3
209.11665	4.4
227.12798	87.9
239.23730	5.1
265.14545	1.4
313.27557	1.7
503.36621	1.0
521.38434	100.0
522.38586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15011	0.8
53.03938	2.0
55.01866	2.7
55.05268	1.4
55.05515	16.2
57.03436	2.0
57.07081	22.7
62.86943	0.9
65.03934	1.3
67.05512	24.6
69.03437	2.0
69.07073	12.5
69.26158	2.0
69.26566	5.9
71.04992	2.3
71.08636	16.9
73.02913	1.2
79.05498	21.1
81.03416	8.0
81.07062	29.9
83.05000	5.0
83.08627	16.8
83.69898	0.8
85.02903	2.4
85.06551	1.1
85.10195	9.6
91.05488	10.1
93.06484	1.7
93.07050	27.3
95.04973	7.8
95.08617	42.8
97.02898	3.0
97.06538	2.5
97.10181	7.7
99.04472	1.5
99.08100	1.2
103.05463	1.2
105.07053	9.1
107.04967	7.5
107.08605	21.7
109.06538	2.0
109.10157	8.1
111.04443	1.8
111.08079	1.8
111.11671	0.9
113.05985	1.3
117.07043	8.1
119.08582	7.4
121.06526	6.0
121.10163	10.7
123.11736	4.0
125.05962	1.3
127.07552	0.8
129.07028	2.7
130.07826	1.5
131.08630	1.6
133.10138	2.4
135.08054	2.5
135.11708	33.1
137.13295	1.4
139.07565	1.7
139.11188	0.9
145.06567	0.9
145.10146	22.5
147.11652	1.5
149.09627	1.8
153.12801	1.4
155.08488	1.1
157.10210	1.2
163.11195	37.9
173.09720	2.0
175.11185	2.0
181.12265	11.0
191.10683	1.7
193.12256	4.2
209.11783	3.2
211.13356	3.6
211.20598	0.8
227.12802	82.3
237.22153	1.8
239.23697	4.7
265.14413	2.3
267.15945	3.5
311.25781	3.3
313.27301	1.8
341.20535	0.8
503.37704	1.3
521.25476	3.4
521.38397	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	522.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.1
57.03439	16.3
57.21283	1.2
62.06086	1.9
67.05508	2.6
69.03418	3.5
69.07060	1.6
71.04993	4.7
71.52917	1.4
72.10258	1.2
73.02923	8.6
75.04483	68.3
79.05473	2.2
81.03425	2.7
81.07062	7.9
83.04983	2.6
84.55622	1.0
85.02907	9.3
86.06065	1.0
91.05478	3.1
93.07078	5.3
95.08620	3.5
97.02899	2.6
103.05456	2.0
105.07024	3.4
107.08584	4.9
108.34452	1.0
109.02898	1.5
109.06518	2.1
109.10148	3.1
110.06039	1.1
111.04427	3.6
115.05460	5.4
117.07013	1.9
117.93003	1.2
119.08574	4.6
121.10159	3.2
122.03629	3.4
123.11678	2.1
127.03914	2.9
127.11253	1.1
129.05493	7.2
129.07018	3.5
131.04916	6.7
133.10130	2.3
135.11691	4.0
137.05983	85.5
138.06308	1.2
139.03877	1.3
143.04900	9.1
145.05017	1.4
145.06473	1.9
146.08118	5.4
147.04361	1.1
147.06517	2.3
147.11658	2.1
149.13297	2.6
151.03929	1.2
151.07637	1.5
153.05496	3.4
157.06488	5.0
159.34891	1.3
160.05215	12.0
161.05936	2.2
163.03929	1.4
163.07516	4.4
164.09184	13.0
175.07553	100.0
175.14799	3.0
185.06065	1.3
187.07555	32.5
189.09073	8.2
193.15878	2.6
199.07533	1.4
203.08635	2.0
203.17966	3.4
205.08614	24.7
211.07509	1.5
217.08636	4.0
221.19052	6.2
224.11363	2.8
226.98853	1.1
231.08069	1.8
235.09654	41.3
239.07108	1.3
248.08366	2.2
251.10689	1.3
255.06569	1.3
259.07486	1.7
263.10602	2.2
270.08755	2.1
271.09668	4.2
276.08099	1.6
279.10117	2.8
291.10114	5.8
311.12833	3.1
323.12811	7.5
341.13794	16.6
359.14777	2.4
479.22940	1.3
523.21667	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
53.10096	2.1
55.05513	11.7
57.07081	3.5
62.06083	6.3
67.05499	8.7
69.03422	7.1
69.07062	11.0
70.21070	4.3
70.21465	3.9
71.04996	18.9
79.05496	22.5
81.07057	95.5
83.08616	3.3
85.02919	15.3
85.06531	3.0
87.00824	7.2
91.05495	15.0
93.06490	3.1
93.07045	43.1
95.04283	1.9
95.08610	26.6
97.02894	5.5
97.10153	3.1
99.08099	5.0
105.01849	15.4
105.07037	45.3
107.07875	3.9
107.08595	58.5
109.02867	6.0
109.10159	40.1
111.08104	2.8
111.11668	2.6
113.87938	2.0
117.06954	3.5
119.08585	86.9
121.10141	11.3
123.11735	22.2
125.09644	3.4
127.03925	12.4
127.11196	25.2
131.08539	2.4
133.10135	43.2
135.11693	100.0
137.13246	5.6
143.10675	15.2
145.04930	3.9
145.10141	3.2
147.08038	2.4
147.11687	25.3
149.13264	8.5
153.12747	8.4
161.13268	16.1
163.14833	5.4
170.72246	2.2
175.14799	2.2
184.11705	1.8
187.30464	2.1
189.12669	2.7
195.79292	2.2
202.35275	2.1
203.17964	73.9
221.19006	71.5
224.11339	9.1
231.04939	3.8
239.20184	2.4
249.06064	4.8
304.80276	2.4
340.47079	2.4
361.16391	3.5
435.69647	2.2
467.14114	1.9
523.21948	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	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.05512	12.9
57.03432	1.7
57.07067	1.5
57.83715	1.2
59.05006	9.3
63.10027	1.4
65.03941	1.7
67.05501	13.6
69.03436	8.6
69.07068	44.9
71.04995	4.8
79.05496	21.7
81.03441	3.1
81.07061	100.0
83.04990	1.7
83.08612	9.4
85.02467	1.9
85.02903	10.7
85.06559	3.1
85.38091	1.3
87.00828	2.0
87.04458	3.5
91.05470	9.3
93.07050	25.6
95.08611	42.2
97.02903	5.5
97.06516	7.5
97.10136	2.5
99.08074	1.6
100.86690	1.3
105.01896	1.9
105.07040	33.0
107.08598	35.2
109.02950	1.7
109.06521	5.8
109.10159	36.6
109.72085	1.3
111.08079	4.6
111.11723	5.6
115.03916	6.1
119.08585	32.1
121.10157	28.6
123.08083	3.1
123.11707	30.7
125.09634	6.9
127.03951	4.2
133.04967	6.5
133.10146	25.9
133.68443	1.3
135.11711	14.8
137.05988	5.3
137.09634	4.7
137.13257	3.6
138.06392	1.4
139.11192	4.7
145.04927	2.7
145.10208	1.4
146.76819	1.3
147.11693	33.3
149.13242	27.0
151.11154	2.5
153.12773	11.7
161.13258	14.0
163.14803	9.4
165.12743	13.8
165.13988	1.6
175.14815	9.4
176.07793	1.8
177.16388	2.3
193.15912	7.2
203.17966	42.3
211.16939	21.2
221.19023	66.4
229.18019	1.8
239.20128	5.9
257.21136	1.4
321.51871	1.5
407.83917	1.3
453.79062	1.3
522.20654	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	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.05512	12.9
57.03432	1.7
57.07067	1.5
57.83715	1.2
59.05006	9.3
63.10027	1.4
65.03941	1.7
67.05501	13.6
69.03436	8.6
69.07068	44.9
71.04995	4.8
79.05496	21.7
81.03441	3.1
81.07061	100.0
83.04990	1.7
83.08612	9.4
85.02467	1.9
85.02903	10.7
85.06559	3.1
85.38091	1.3
87.00828	2.0
87.04458	3.5
91.05470	9.3
93.07050	25.6
95.08611	42.2
97.02903	5.5
97.06516	7.5
97.10136	2.5
99.08074	1.6
100.86690	1.3
105.01896	1.9
105.07040	33.0
107.08598	35.2
109.02950	1.7
109.06521	5.8
109.10159	36.6
109.72085	1.3
111.08079	4.6
111.11723	5.6
115.03916	6.1
119.08585	32.1
121.10157	28.6
123.08083	3.1
123.11707	30.7
125.09634	6.9
127.03951	4.2
133.04967	6.5
133.10146	25.9
133.68443	1.3
135.11711	14.8
137.05988	5.3
137.09634	4.7
137.13257	3.6
138.06392	1.4
139.11192	4.7
145.04927	2.7
145.10208	1.4
146.76819	1.3
147.11693	33.3
149.13242	27.0
151.11154	2.5
153.12773	11.7
161.13258	14.0
163.14803	9.4
165.12743	13.8
165.13988	1.6
175.14815	9.4
176.07793	1.8
177.16388	2.3
193.15912	7.2
203.17966	42.3
211.16939	21.2
221.19023	66.4
229.18019	1.8
239.20128	5.9
257.21136	1.4
321.51871	1.5
407.83917	1.3
453.79062	1.3
522.20654	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	522.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
56.05035	0.4
57.03450	0.2
58.06629	0.4
59.07396	0.1
60.08167	6.0
65.05936	0.1
67.05508	0.5
69.07082	0.5
69.98392	0.5
71.07378	2.7
79.05489	0.2
81.03433	0.2
81.07060	0.3
83.08627	0.5
83.57449	0.1
86.09711	29.1
93.07041	0.3
95.08630	0.3
95.36477	0.1
97.10175	0.2
98.20836	0.1
98.98470	3.2
104.10066	0.1
104.10751	2.7
105.07066	0.1
107.08610	0.2
121.10178	0.2
125.00012	20.5
135.11624	0.1
184.07349	100.0
185.07486	0.1
193.12247	0.2
211.13316	0.1
251.22110	0.1
314.13977	0.1
323.22513	0.1
504.34521	1.3
522.35382	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.356
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05514	2.4
56.05037	1.6
57.03416	0.3
57.07077	0.9
58.06609	1.0
60.08169	16.4
67.05513	1.4
69.07078	2.8
69.24902	0.7
69.25316	2.1
71.06988	0.4
71.07380	6.6
71.08638	0.4
73.73425	0.2
76.71174	0.2
79.05499	1.1
81.03419	0.3
81.07069	1.8
83.08636	1.6
85.00188	0.3
86.09712	49.1
91.05520	0.4
93.07040	0.9
95.08614	1.4
97.10179	0.9
98.98473	3.2
104.10751	100.0
105.07121	0.3
107.08624	0.7
115.75656	0.3
121.10164	0.5
125.00017	27.0
135.11700	0.6
147.05904	0.3
163.01575	0.6
181.02589	0.3
184.07355	96.9
198.95894	0.3
258.11099	0.8
319.59662	0.3
339.28796	1.3
381.60504	0.3
385.70984	0.3
445.27359	0.5
504.34512	9.9
509.35471	0.3
522.35553	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	523.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01858	1.3
57.03452	1.3
57.07078	1.3
59.37926	1.0
67.05493	6.9
67.05798	1.3
69.03429	3.7
69.03809	1.3
69.46294	1.1
71.52359	1.2
79.05492	8.3
81.03429	3.3
81.07057	12.7
81.37967	1.2
83.01351	2.5
85.02925	2.2
85.06535	1.5
91.05481	10.6
93.07054	9.0
95.04951	2.1
95.08624	12.0
97.02923	1.7
103.05471	1.9
103.32945	1.2
105.07037	14.0
107.04913	2.0
107.08602	4.9
109.02846	2.2
109.06525	2.0
109.10149	5.4
115.05438	2.4
117.07031	1.8
119.04980	6.4
119.08557	2.7
121.06442	2.6
121.10168	2.0
123.04388	2.4
123.11732	12.3
124.39667	1.3
127.03848	2.1
130.85896	1.4
133.06488	9.9
133.10178	1.9
135.11696	1.3
137.05984	8.8
143.08601	2.3
147.04417	12.4
149.06029	2.6
151.03943	1.3
151.07550	2.6
151.11198	4.4
157.10110	1.8
159.11765	1.6
161.05994	23.9
161.09615	1.7
163.11113	1.7
165.05508	3.4
167.07024	4.4
169.12209	2.3
175.07588	1.3
179.07043	100.0
193.05035	2.4
195.11697	1.3
208.78813	1.2
211.06023	5.5
227.46776	1.2
231.13623	1.1
259.13312	1.5
277.14429	1.2
293.79333	1.3
295.15411	3.3
297.14938	3.0
313.16537	1.6
315.15976	2.2
325.14594	1.2
343.15341	1.8
353.27722	1.3
361.16415	2.6
505.20746	3.8
523.20728	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	523.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69398	0.7
55.48658	0.6
59.21350	0.7
62.44436	0.6
63.55691	0.6
64.73340	0.6
65.03939	1.7
69.03420	1.6
71.04992	0.7
71.52615	0.8
71.53042	1.0
71.99889	0.7
75.18688	0.7
81.02986	0.6
81.03404	2.9
81.07077	1.2
85.02934	1.4
89.03916	1.1
89.91441	0.6
91.05486	22.4
97.02908	0.9
107.04993	0.9
109.02877	1.3
109.06546	0.9
119.04947	31.4
129.03389	0.7
129.05469	0.7
132.02037	1.8
133.02861	0.9
133.10152	0.6
135.04453	1.3
137.05949	3.5
145.02838	1.2
147.04420	25.5
149.02298	1.6
153.05534	0.8
157.03979	2.8
161.05925	1.0
163.03915	1.0
164.04675	1.1
175.03915	49.0
179.07051	3.0
188.11867	0.8
192.04172	1.2
207.06537	100.0
212.36244	0.7
225.07681	0.8
351.10730	3.4
369.11838	4.7
436.00839	0.6
523.21521	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68452	1.3
53.03941	8.5
55.01865	6.0
55.05271	2.2
55.05516	26.9
57.03425	5.5
57.07073	10.0
61.02906	3.1
65.03946	2.3
67.05508	39.3
68.99786	5.9
69.03433	51.1
69.07072	41.2
71.01353	2.4
71.05007	8.9
71.08642	3.7
73.02917	2.6
75.43952	1.9
79.05494	24.0
79.54420	1.7
79.61275	1.6
81.03426	41.0
81.07063	100.0
83.04993	8.4
83.08627	21.4
85.02444	2.5
85.02915	38.2
85.06548	21.9
87.00836	13.8
91.05480	21.5
91.32222	1.3
93.06490	3.1
93.07051	40.6
95.01335	1.8
95.04967	11.1
95.08613	84.0
97.02898	13.2
97.06529	5.9
97.10181	10.1
99.04471	12.5
99.08101	13.4
105.01829	2.9
105.07040	29.9
107.04958	5.5
107.08607	37.8
109.02886	24.0
109.06527	8.1
109.10162	51.8
111.04422	11.6
111.08102	8.8
111.11716	6.4
113.09621	2.8
115.03941	5.6
115.05449	2.8
117.07035	6.5
119.08597	23.5
121.06505	7.8
121.10149	26.6
123.04434	5.8
123.08073	4.3
123.11709	24.1
125.09615	5.8
125.13279	2.4
127.03931	54.1
127.11211	3.1
129.01852	1.6
129.05528	3.2
129.06999	5.9
130.07773	2.1
131.04845	1.7
131.08574	11.0
133.06458	2.1
133.10141	16.2
135.08086	7.9
135.11713	17.2
137.05995	5.0
137.09695	3.6
137.13289	9.9
139.03990	1.6
139.11174	3.1
142.07829	2.6
143.08557	6.7
145.04961	5.5
145.06512	3.3
145.10117	15.1
147.06435	1.7
147.08063	5.7
147.11694	16.3
149.09598	5.4
149.13269	21.6
151.07567	3.7
151.11198	3.0
151.14786	5.2
153.09064	2.1
155.08568	3.6
157.10136	6.4
159.02927	4.9
159.08025	4.3
159.11674	14.5
161.05922	1.5
161.09630	6.3
161.13258	11.1
163.07552	2.7
163.11151	3.7
163.14819	15.1
165.09119	4.9
165.12805	2.0
165.16383	2.3
169.10135	2.9
171.02873	2.6
171.07994	1.7
171.11685	5.8
172.60464	1.7
173.09637	5.1
173.13280	6.7
175.11125	3.5
175.14841	7.6
177.09119	4.2
177.12823	2.8
177.16429	7.9
179.14381	1.9
183.11768	2.1
185.09590	1.8
185.13258	7.0
187.06137	1.8
187.11188	2.8
187.14848	4.6
189.03929	2.2
189.09206	3.7
189.12746	3.0
189.16364	4.5
191.10664	3.0
191.14320	2.3
191.17963	6.1
195.11754	2.9
197.13287	3.8
199.14868	4.1
201.03984	2.4
201.12866	3.3
201.16309	2.9
203.07004	2.3
203.14401	2.2
203.18011	3.3
205.19530	5.2
211.14891	2.1
213.03986	5.4
213.12781	2.0
213.16443	2.5
215.18039	2.0
217.19513	4.6
219.21169	1.8
223.14819	1.9
225.16406	2.4
227.17935	1.8
229.15959	1.8
229.19556	2.3
231.04984	8.3
257.19006	3.4
273.25797	4.5
285.25842	1.8
291.26907	5.5
299.23557	1.8
303.26807	4.0
305.28433	3.0
315.26779	4.6
333.27881	4.4
359.29504	2.4
365.28436	3.2
383.29404	13.8
401.30600	21.6
419.31760	10.4
453.25076	1.7
461.32669	3.5
469.28732	2.1
479.34143	1.9
487.30484	20.5
505.31702	21.7
523.19727	4.9
523.32843	19.9
530.96930	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.2
55.97711	2.7
57.03451	18.0
57.07083	48.3
57.49468	2.8
67.05506	30.0
69.03423	3.3
69.07050	11.2
69.98337	10.9
70.91722	2.2
71.08640	37.7
76.44505	2.1
79.05515	14.7
81.03427	97.9
81.07060	30.3
83.04971	5.4
83.08627	28.5
85.02905	4.4
85.10201	16.4
91.05487	22.4
93.07043	9.1
95.04977	22.3
95.08617	32.4
97.06557	2.6
97.10198	6.7
105.07027	15.8
107.04958	5.1
107.08595	5.8
109.06564	3.8
109.10153	11.7
111.08073	8.1
119.08594	16.3
121.06576	3.0
121.10170	7.2
123.11710	7.4
123.70325	2.5
125.09616	2.9
129.06984	9.7
131.08606	5.6
133.06512	3.2
133.10141	3.7
147.08032	3.9
147.11681	9.9
149.09666	3.0
157.10110	9.1
175.11217	10.2
193.12248	47.8
196.05075	2.2
211.13342	9.5
212.22910	2.5
214.01334	2.4
228.87050	2.3
234.44145	2.4
239.23735	7.5
249.14877	3.4
267.15942	98.3
313.27396	100.0
505.38934	67.1
523.27094	3.6
523.40082	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	523.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70332	2.3
53.03945	4.3
53.71827	2.1
55.05513	9.8
57.03442	17.1
57.07082	46.5
67.05507	27.0
69.07062	10.0
71.04997	2.9
71.08643	31.2
79.05504	14.7
81.03426	88.4
81.07066	27.1
83.05001	6.2
83.08627	27.7
85.02901	4.5
85.10199	15.8
91.05496	18.0
93.07036	11.4
93.16690	2.2
95.04971	25.2
95.08620	25.7
97.10178	6.1
104.31337	2.4
105.07024	12.3
107.04957	5.0
107.08619	6.1
109.06547	2.6
109.10129	11.0
111.08060	7.3
119.08611	10.7
121.06517	2.6
121.10165	7.5
123.08044	4.0
123.11702	6.6
125.41859	2.1
129.07004	9.7
129.07877	2.4
131.08583	4.5
133.06529	4.1
133.10168	3.4
147.08083	3.5
147.11708	4.7
149.09607	3.8
152.90628	2.1
157.10124	8.0
163.11163	3.1
167.75682	2.5
175.11244	7.5
179.14316	5.6
193.10669	3.7
193.12274	43.6
211.13351	6.5
219.14473	2.1
239.23721	7.7
249.14986	5.1
267.15939	100.0
275.36740	2.2
313.27383	93.2
505.39099	62.7
523.40125	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
54.01015	0.5
55.01858	0.8
55.05273	0.8
55.05515	9.4
57.03442	5.2
57.07079	25.9
65.03933	0.8
67.05506	18.2
68.77364	0.5
69.03435	1.5
69.07069	7.3
71.04990	2.5
71.08639	16.1
72.90607	0.6
76.07982	0.6
79.05496	10.6
81.03422	27.6
81.07059	21.5
83.04976	5.5
83.08152	1.2
83.08621	17.6
85.02913	12.7
85.03385	1.2
85.06554	1.7
85.10185	10.1
91.05485	14.1
93.07048	7.8
95.04974	11.3
95.08610	19.5
96.96465	0.5
97.02905	1.3
97.06517	1.0
97.10167	5.4
99.08119	0.6
99.11729	0.9
105.07030	9.1
107.04956	2.4
107.08593	2.5
109.06518	1.7
109.10155	11.0
111.04447	0.9
111.08081	5.1
111.11746	1.3
113.06012	1.2
115.05502	0.8
119.08573	7.4
121.10124	3.4
123.08089	1.2
123.11697	3.7
124.28457	0.7
125.06073	0.6
129.07007	4.2
131.08568	5.3
131.72292	0.6
133.06519	1.6
133.10127	4.3
137.09583	1.4
137.13226	1.5
142.07837	1.6
145.10107	0.7
147.08038	1.1
147.11708	5.9
149.09639	2.2
157.10138	5.4
165.12782	1.7
175.11206	6.2
193.12251	27.7
211.13298	33.5
239.23730	4.7
249.14882	1.2
267.15930	7.4
313.27359	6.6
505.38730	3.9
523.39972	100.0
524.40674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.5
53.03943	1.8
55.01871	1.2
55.05515	10.6
57.03443	6.1
57.07082	30.2
65.03933	1.2
67.05509	21.0
69.03426	1.8
69.07073	8.8
69.20495	3.2
69.20908	0.9
70.51188	0.4
71.04987	2.4
71.08639	21.2
75.13420	0.4
76.94727	0.4
77.39899	0.5
79.05070	0.8
79.05500	11.7
79.33743	0.4
81.03423	30.5
81.07063	24.4
83.04984	5.2
83.08626	19.9
85.02911	13.2
85.03313	0.2
85.03437	0.4
85.06554	1.2
85.09354	0.4
85.10191	11.3
87.19348	0.5
89.46078	0.4
91.05486	14.9
93.07050	9.0
95.04978	11.6
95.08613	21.1
97.02926	1.9
97.06524	1.7
97.10166	5.6
99.08102	0.9
99.11749	0.6
103.05501	0.5
105.07046	11.6
107.04963	2.1
107.08601	3.2
109.06517	2.0
109.10162	8.9
109.66014	0.5
111.04459	1.4
111.08102	5.3
111.11709	1.1
113.06015	1.3
113.13291	0.7
115.05487	0.6
117.07066	1.0
119.08600	9.3
121.06522	0.9
121.10141	5.8
123.08080	1.4
123.11712	4.5
129.07021	4.6
131.08585	5.5
132.65927	0.4
133.06514	1.3
133.10133	4.5
137.09663	0.6
137.13226	1.2
142.07774	1.4
145.10126	0.8
147.08084	1.5
147.11702	6.7
149.09631	3.5
157.10155	5.4
163.11250	0.5
165.12730	1.4
165.16457	0.5
175.11166	6.4
193.10446	0.7
193.12254	27.9
211.13301	33.6
239.23705	5.4
249.14980	0.9
267.15945	8.5
275.88385	0.5
313.27371	12.3
315.33270	0.5
505.38965	7.0
523.39990	100.0
524.40222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01874	1.0
55.05517	12.2
56.91483	0.3
57.03440	6.2
57.07080	33.0
59.05013	0.7
65.03938	0.9
65.50871	0.3
67.05508	24.1
69.03447	1.8
69.07072	9.5
71.04995	2.7
71.08636	24.3
71.52606	0.4
79.05500	12.8
81.03423	37.6
81.07062	29.2
83.04987	6.2
83.08627	21.4
85.02912	17.4
85.03439	0.4
85.06564	1.9
85.10191	12.7
85.65957	0.4
91.05486	17.5
93.07045	9.4
95.04976	14.4
95.08613	25.2
97.02900	1.2
97.06536	2.0
97.10179	7.3
99.08073	0.5
99.11750	0.9
103.05389	0.4
105.04570	0.6
105.07038	12.0
107.04961	3.2
107.08604	3.9
109.06527	2.0
109.10165	10.7
111.03796	0.3
111.04437	2.0
111.08096	5.7
111.11717	1.5
113.06021	1.3
115.05460	0.9
117.07014	1.0
119.08587	10.8
121.06524	1.0
121.10147	6.5
121.26014	0.3
123.08075	1.5
123.11723	4.9
125.09611	0.5
125.13297	0.5
128.06247	0.5
129.07019	5.9
131.08578	6.1
133.06525	1.6
133.10138	5.2
135.08092	0.4
135.11719	0.4
137.09669	0.9
137.13248	1.8
142.07755	1.6
145.10115	0.5
147.08069	1.4
147.11693	7.9
149.09637	4.5
151.11189	0.5
151.14871	0.3
157.10139	8.3
157.11333	0.6
165.12785	1.5
165.16437	0.4
175.11208	9.3
179.20161	0.4
193.12256	30.5
211.13306	35.2
229.14426	0.7
239.23682	4.8
249.14925	1.0
257.24857	0.3
267.15939	11.3
272.74426	0.4
285.17111	0.4
300.45590	0.4
313.27405	12.0
505.38992	6.0
523.39978	100.0
524.40289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01863	3.2
55.05514	15.7
57.03439	20.9
57.07082	44.9
57.24781	2.2
60.08155	10.4
63.02399	2.1
63.49992	2.5
67.05506	26.6
69.07072	12.2
71.07371	4.9
71.08632	30.0
71.53002	3.5
79.05489	15.9
81.03423	93.3
81.07049	27.8
83.04971	5.8
83.08620	25.2
85.10191	14.1
86.09703	27.4
87.10049	9.2
91.05497	15.8
93.07050	11.1
95.04966	25.1
95.08610	24.8
97.10164	8.9
98.45767	2.1
98.98486	4.0
104.10748	65.0
105.07029	17.1
105.11069	13.4
107.04967	4.5
107.08581	4.2
107.45224	2.5
109.06501	3.0
109.10159	12.9
111.08082	7.8
118.46923	2.1
119.08610	16.6
121.06590	2.6
121.10152	5.7
123.11675	4.1
124.99991	18.1
129.07024	9.4
131.08582	10.8
133.06462	3.5
133.10146	3.4
137.09702	2.4
142.07784	2.7
147.08075	4.1
147.11671	7.9
149.09573	4.5
157.10124	9.5
162.46976	2.5
175.11176	7.1
184.07344	62.6
185.07748	16.2
190.42990	2.5
193.12254	46.7
211.13353	2.8
214.20113	2.8
239.23698	5.7
249.14946	5.7
267.15927	93.9
272.63834	2.7
313.27383	100.0
505.39117	71.0
523.16351	8.8
523.35352	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	523.4
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33895	0.4
53.03940	1.3
53.93866	0.5
55.01874	1.3
55.05513	11.6
55.65359	0.4
57.03443	4.9
57.07078	31.4
59.04993	0.4
65.03941	1.3
67.05509	21.3
69.03431	2.0
69.07068	8.3
69.22691	1.1
69.23100	2.9
69.86717	0.4
71.04985	2.0
71.08636	21.4
73.58507	0.4
74.85017	0.4
79.05500	11.3
81.03423	34.1
81.07059	25.1
83.04987	5.8
83.08621	20.3
85.02910	15.0
85.06541	1.4
85.10187	10.2
91.05488	14.7
93.07048	8.0
95.04971	13.1
95.08611	23.4
97.02898	1.6
97.06528	1.6
97.10174	5.6
98.21463	0.9
99.08128	0.8
99.11725	0.8
105.04552	0.7
105.07040	11.2
107.04971	3.1
107.08570	3.6
109.06531	1.7
109.10162	9.5
111.04452	1.0
111.08077	4.9
111.11732	1.4
113.06005	1.0
113.42712	0.5
116.07080	0.5
117.07063	1.1
119.08587	9.0
121.06535	0.4
121.10149	4.9
123.08079	1.0
123.11716	4.2
125.13251	0.8
129.07007	5.1
131.08585	5.4
133.06508	1.6
133.10139	4.3
137.09634	0.8
137.13283	1.5
142.07813	1.3
145.10185	0.5
147.08046	1.9
147.11693	8.0
149.09651	2.8
151.14836	0.5
157.10139	5.5
163.11131	0.5
165.12785	1.6
175.11197	7.2
193.12245	30.1
211.13297	35.4
212.80913	0.5
239.23732	5.7
249.14758	0.5
267.15924	7.6
267.18619	0.8
285.17087	0.8
313.27438	5.9
505.38965	4.0
523.39972	100.0
524.40167	0.8
540.05365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01868	0.8
57.82844	0.4
61.02917	0.7
67.05514	4.6
69.03415	1.0
70.84641	0.4
71.01344	2.0
71.27486	0.9
73.05385	0.4
79.05090	0.4
79.05508	6.3
81.03421	0.9
81.07062	2.9
85.02914	3.9
91.05492	15.3
92.15033	0.4
93.07053	7.6
95.04989	2.7
95.08568	0.4
97.02889	1.7
97.06537	0.8
102.60175	0.3
103.05485	4.2
105.03386	0.6
109.02885	1.3
109.06523	1.9
111.08067	0.6
119.04953	13.5
121.06519	15.2
121.07390	0.8
123.04436	4.0
137.05986	17.3
139.07562	1.8
141.05501	0.8
141.24387	0.4
145.04945	0.6
147.04431	11.8
149.06000	8.9
165.05504	9.0
167.07062	13.6
175.03935	3.1
183.06549	2.5
193.04985	27.0
211.06032	100.0
215.56361	0.4
309.06226	0.6
338.31415	0.4
345.08218	0.9
355.10330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3713
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05500	0.9
56.05025	1.2
57.03438	0.7
57.07077	5.1
58.06599	1.5
59.07407	0.5
60.08165	16.2
63.43533	0.4
67.05507	1.8
69.07067	1.1
71.07372	5.5
71.08617	2.5
71.52879	0.5
79.05501	0.8
81.03418	2.6
81.07058	2.3
82.03781	0.4
83.08615	1.2
85.10172	1.5
86.09705	50.4
91.05501	0.8
93.07042	0.7
95.04977	0.8
95.08601	1.8
97.10159	0.9
98.98454	3.8
104.10741	100.0
105.07020	0.7
109.10167	0.9
113.32628	0.3
119.08608	0.7
121.10160	0.4
123.11712	0.6
125.00004	27.1
126.85452	0.3
163.01523	0.8
175.11179	0.6
181.02490	0.4
184.07338	95.8
193.12323	1.4
194.12544	0.8
211.13211	0.7
212.13663	0.6
258.11075	1.2
267.15860	1.1
268.16187	1.0
313.27347	0.9
314.27719	1.4
341.30576	2.0
341.53699	0.4
386.35538	0.4
461.36053	0.5
464.33826	0.4
495.70404	0.4
506.35898	9.2
508.62607	0.5
524.37042	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	524.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17006	1.4
53.03956	2.8
55.05516	15.3
57.03444	13.2
57.07084	8.0
59.04996	3.3
63.33110	1.1
65.03927	3.3
67.05508	100.0
68.10480	1.2
69.07073	9.1
69.74362	6.4
71.04987	3.4
71.08614	4.4
79.05502	22.1
81.03419	12.0
81.06594	2.4
81.07057	39.5
82.03730	2.0
83.04991	1.6
83.08630	9.1
85.06541	3.8
87.04418	1.6
91.05489	17.3
93.06485	2.0
93.07050	27.0
95.04955	4.7
95.08617	26.6
97.06520	2.0
97.10147	1.2
98.21563	1.5
105.07048	7.7
107.08122	1.0
107.08615	10.0
109.10164	66.6
111.08079	3.9
117.06997	3.5
119.08578	13.0
121.10140	9.3
123.11721	3.8
128.93773	1.1
129.07011	2.0
131.08565	7.0
133.10107	4.9
135.11632	6.2
137.09612	2.9
137.13268	1.2
143.85060	1.1
144.58281	1.0
145.10127	2.9
145.85750	1.2
147.11703	2.3
149.13277	3.7
155.10699	5.6
158.87289	1.4
159.11671	3.1
161.13252	2.3
163.14841	2.1
173.11743	17.7
173.13333	3.2
189.68173	1.1
193.12248	3.7
194.12537	1.9
203.52043	1.1
213.50029	1.1
227.12845	2.2
229.14365	87.6
243.21115	4.7
261.22119	12.6
267.15906	7.0
268.16241	5.9
277.21671	1.4
313.27359	4.7
314.27725	8.6
317.24625	2.4
335.25815	80.0
374.68719	1.4
414.87485	1.5
453.93680	1.2
489.35791	51.8
506.39212	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	525.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
58.28988	0.5
62.45608	0.5
65.03949	2.7
66.04716	0.7
67.05502	1.3
68.99787	1.1
69.03434	1.3
71.37482	0.6
71.52507	0.8
73.10746	0.5
78.06895	0.5
79.05476	1.8
79.64854	0.6
80.06254	0.8
81.03400	1.4
81.07034	1.1
83.08633	0.8
85.02921	1.1
91.05496	6.7
93.03417	1.7
93.07035	1.3
94.04190	1.6
95.04972	1.6
96.30077	0.6
97.02885	1.2
98.03684	3.2
103.05464	2.1
105.07027	1.5
105.53151	0.6
106.04172	1.2
107.04966	6.6
107.08642	0.6
108.05732	3.5
109.02884	4.0
109.06500	1.3
109.10100	1.0
110.03645	1.3
111.00809	0.8
111.04441	1.8
115.05475	1.6
116.44686	0.6
117.07029	1.6
119.04928	0.9
119.08584	1.0
121.06516	11.7
122.03632	4.0
123.04481	0.6
125.05986	1.7
126.03156	5.2
127.03868	0.7
128.06230	2.0
129.07001	2.8
131.04916	3.4
132.05710	1.0
133.06493	2.3
135.04411	3.5
135.08076	0.8
136.05214	7.0
137.02339	2.3
137.05983	34.3
139.03889	2.4
141.05492	6.0
141.06502	0.7
141.07018	0.7
143.04889	0.7
143.08578	0.8
144.05705	4.3
145.06499	4.2
145.10155	0.6
146.07274	5.2
147.04381	1.0
147.08052	2.1
149.05994	3.9
149.09637	0.7
150.06778	0.9
151.07549	100.0
152.08023	0.8
153.05479	6.3
154.02606	11.5
154.06242	5.2
155.04939	0.8
157.06531	2.4
158.07347	2.7
159.04419	0.8
159.08054	2.0
160.05286	0.7
160.08777	0.8
161.06006	6.7
161.09590	0.6
162.06735	1.4
163.07535	2.0
165.05464	1.8
165.09114	1.6
167.07082	0.8
169.04977	32.5
171.08035	1.5
172.08850	6.0
173.06024	3.7
173.09595	0.7
174.06758	3.7
175.07556	4.0
176.08336	7.5
177.05479	1.6
177.09108	16.4
179.07059	2.3
185.09631	1.0
186.06754	1.6
187.07567	2.0
188.08318	11.7
189.05516	0.8
189.09119	13.9
189.10774	1.1
191.07100	0.6
191.10678	2.0
197.06006	1.0
199.03922	8.5
201.09151	4.2
203.06987	3.3
203.10674	18.5
205.08632	1.6
207.10129	0.7
214.06297	1.1
215.07037	2.3
217.08595	0.7
217.18999	0.6
219.10172	16.8
229.08551	4.8
231.08124	0.8
233.07938	0.9
234.10428	0.6
242.05754	21.9
243.06445	2.8
247.09654	39.6
249.09277	1.0
257.08115	5.6
258.10574	0.6
261.09140	2.4
262.09940	1.1
275.10587	1.1
277.08582	0.6
279.13678	1.2
289.10410	9.7
291.10226	1.3
292.11090	0.9
293.11673	2.7
294.12497	0.7
307.10001	1.0
307.13126	4.0
311.12900	1.7
321.11151	2.0
321.14856	2.6
325.14462	1.2
335.12729	2.3
339.12201	2.4
339.16000	4.9
353.13852	6.7
357.16949	1.9
371.14935	10.0
447.18002	0.7
465.89120	0.6
475.17297	0.8
489.19769	0.9
493.18640	9.3
507.20013	2.2
525.21167	14.8
525.29053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81483	0.6
51.20198	0.4
53.86666	0.5
54.55439	0.4
55.01857	0.5
55.51466	0.4
56.96580	0.6
65.03930	1.5
65.04296	0.5
67.05501	1.2
69.03436	0.8
69.18157	0.7
69.18559	5.4
77.74869	0.5
78.04760	0.6
79.05489	1.6
81.03403	1.0
81.07046	1.1
85.02921	0.8
85.06531	0.5
91.05488	8.2
93.07049	0.6
95.04997	1.5
95.08624	1.2
98.21464	1.3
98.97583	1.9
99.08093	1.3
103.05447	1.1
105.07030	2.2
106.04167	0.6
107.04972	5.2
107.08579	1.1
108.05743	2.5
109.02889	0.6
109.06535	1.1
109.10188	0.8
115.05476	0.9
117.07021	0.9
119.04921	4.0
121.06504	2.3
122.03626	0.9
127.03955	0.7
128.89496	0.5
129.06970	1.6
131.04897	2.0
133.06538	1.4
133.10210	0.7
135.04427	1.7
135.08049	1.2
136.05197	2.3
137.05988	14.8
145.06482	0.8
146.07275	3.0
147.08034	0.7
149.05988	2.4
150.06779	0.9
151.07550	100.0
152.06209	1.2
154.07724	0.6
157.06427	0.6
159.08028	1.3
161.06003	3.9
162.06743	0.9
163.07561	4.5
165.07004	3.6
165.09094	5.2
167.08571	2.9
174.06746	1.3
175.07585	2.1
176.08351	0.6
177.07008	0.6
177.07277	0.7
177.09125	13.2
179.08606	0.9
179.10732	0.7
181.06537	1.0
182.07254	1.5
183.08002	0.8
186.10458	1.1
187.07535	0.7
188.08305	2.0
189.09094	4.9
191.10701	1.0
193.06532	2.5
194.07285	0.7
195.08086	3.9
197.09659	0.9
199.07466	0.9
201.09189	1.4
201.16379	0.7
202.09874	0.6
203.10722	2.2
205.12157	0.8
207.08032	0.8
210.06824	2.9
211.07614	0.9
212.08289	0.9
213.09111	1.1
215.10593	1.0
217.12277	3.5
221.05974	5.0
221.09615	0.7
221.11693	1.4
223.07570	1.4
224.08324	2.3
225.09038	2.6
227.10677	5.9
233.09616	0.8
235.07501	1.0
235.13420	1.1
238.06233	1.1
239.10840	0.7
241.12230	0.6
245.09569	0.6
252.07872	1.5
253.08667	4.0
253.12302	0.6
255.10126	4.6
259.11142	0.7
259.20624	0.9
267.10086	2.8
271.09650	0.9
281.11661	1.0
285.11221	9.3
287.12817	11.1
299.12790	0.7
301.14371	1.6
305.02713	1.3
313.14346	3.1
319.13168	0.9
325.14185	1.2
339.15961	1.0
351.15948	1.4
365.17459	4.9
429.20660	1.3
439.23260	0.7
457.20001	2.0
481.23215	2.4
489.22873	1.1
525.21747	17.7
525.30573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
58.61103	0.7
63.19613	0.6
65.03931	1.3
67.05464	1.1
69.03446	0.7
69.07056	1.3
71.53257	1.0
79.05488	2.0
79.05921	0.6
81.03327	0.6
81.07048	2.9
83.04978	1.0
85.06551	1.5
91.05479	9.5
93.07040	2.2
95.04960	2.6
95.08604	2.1
96.08143	0.9
98.07249	0.6
103.05445	1.5
105.07014	1.7
107.04957	5.1
108.05745	2.1
110.09689	1.4
115.05436	0.9
117.07022	1.2
119.04945	3.6
120.08115	1.5
121.06505	2.5
121.10181	0.9
122.03654	1.9
123.11727	1.0
128.06192	0.8
129.07050	1.1
131.04936	2.2
133.06435	0.8
135.04414	2.2
135.08061	1.6
136.05226	2.1
137.05988	18.2
138.09171	1.2
142.98543	0.7
145.06488	1.4
146.03639	0.8
146.07262	2.1
147.08113	1.2
149.05992	3.0
150.06773	1.0
151.07549	100.0
152.28235	0.7
161.05981	3.5
162.79637	0.7
163.07568	4.9
164.07066	1.4
165.07030	3.7
165.09120	5.7
166.08678	2.9
167.08556	2.3
174.06766	1.3
175.07571	2.0
176.08319	1.0
177.09113	13.4
181.06435	1.2
182.07201	0.8
187.07549	1.7
188.08377	2.3
189.09100	4.5
193.06483	1.9
195.06494	0.7
195.08012	4.1
201.09111	1.5
202.09956	0.9
203.10698	2.0
209.05971	1.2
209.09593	0.9
210.06726	2.1
213.08916	1.0
215.10677	0.9
217.12289	4.5
221.06000	4.5
221.11720	1.0
223.07481	1.3
224.08379	1.5
225.09113	3.5
227.07237	1.2
227.10677	4.2
235.07513	0.8
238.06207	0.8
251.10843	0.7
253.08652	3.0
255.06531	0.9
255.10066	4.5
264.48254	0.7
267.10175	3.3
285.11203	11.2
287.12836	13.8
291.26782	0.9
299.12817	1.3
301.14413	1.4
303.86108	0.8
313.14548	3.4
319.13235	0.9
325.14413	0.8
327.29007	1.1
329.11404	1.1
332.20477	0.9
339.16174	0.8
351.15939	1.7
361.13815	3.3
365.17667	3.6
369.17365	0.7
429.20584	2.4
439.22760	0.9
457.20102	1.4
463.22791	0.9
481.24094	1.4
489.21936	2.2
507.22119	3.5
525.22644	11.5
526.21857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.05500	0.7
55.68522	0.6
63.43264	0.6
67.05505	1.8
69.03407	1.2
69.07055	1.9
69.55950	2.8
69.56356	1.5
78.04742	0.9
79.05489	2.7
81.03419	0.8
81.07067	6.7
83.08633	0.7
85.02893	1.6
85.06529	0.9
90.04715	0.6
91.05484	9.6
93.07023	2.6
95.04958	1.7
95.08616	4.2
97.02888	1.0
99.08020	0.7
103.05457	1.6
105.07027	2.6
106.04191	0.7
107.04953	6.8
107.08614	1.7
108.05742	2.7
109.06497	1.4
109.10154	3.0
115.05461	1.6
117.07044	1.1
118.57554	0.7
119.04937	4.4
119.08588	1.4
121.06515	2.8
121.10128	1.9
122.03651	1.0
123.11671	1.9
125.05987	0.8
128.06195	0.6
129.06998	2.0
131.04922	2.5
131.08600	1.3
133.06511	1.3
133.10092	0.7
135.04414	2.7
135.08061	1.3
135.11674	0.8
136.05186	3.0
137.05983	17.2
137.13391	0.6
145.06464	1.7
146.07266	3.9
147.04449	1.0
149.06010	3.4
150.06776	0.9
151.07552	100.0
152.06221	1.0
157.06447	0.9
159.08041	1.2
159.11681	0.9
161.05994	5.7
163.07544	6.0
163.14830	1.3
165.07021	2.6
165.09106	5.2
167.07135	0.9
167.08578	3.1
172.08965	0.7
173.05963	1.1
174.06689	0.9
175.07623	1.2
177.09125	14.1
179.08635	1.1
181.06502	1.0
182.07280	1.4
186.10477	1.5
187.07562	1.9
188.08360	2.3
189.09085	4.8
191.10709	1.1
193.06496	2.2
195.08067	4.2
196.08929	0.8
197.09636	1.1
197.54051	0.7
199.07542	0.7
201.09079	1.7
202.09828	0.7
203.10666	2.6
209.06075	0.8
209.09636	1.0
210.06796	2.3
211.07634	0.9
213.09196	1.7
215.10735	1.6
217.10464	0.7
217.12213	4.2
221.05933	3.9
221.11737	0.8
223.07626	2.0
224.08405	1.4
225.09100	3.8
227.07216	1.1
227.10684	6.3
235.13376	0.7
238.06339	1.5
252.08022	1.2
253.08670	3.1
255.10187	4.6
267.10123	3.1
269.11630	0.9
277.17725	1.3
279.09982	1.0
285.11246	10.2
287.12799	12.2
289.05334	1.9
291.27020	0.9
299.12808	1.4
301.14304	1.6
309.28033	1.2
313.14398	3.0
321.15063	1.2
325.14584	0.8
337.13998	1.0
351.16040	1.7
365.17581	5.2
421.22629	0.7
429.20422	0.9
439.23181	2.1
457.20203	2.1
463.23639	1.0
481.24210	8.4
489.22055	3.0
507.22217	3.7
525.23187	31.7
525.30383	2.1
526.24042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
55.01871	3.5
55.05505	6.8
57.03439	5.0
57.07070	6.5
61.02945	2.8
67.05503	22.9
69.03434	31.0
69.07056	8.5
69.64362	9.2
71.05005	5.0
73.02917	4.4
79.05491	10.4
81.03419	21.6
81.07058	16.1
83.05007	4.6
83.08614	2.6
85.02908	25.7
85.06548	71.9
87.00822	12.5
91.05474	14.0
93.07032	15.3
94.06562	4.6
95.04984	5.5
95.07336	5.9
95.08610	24.2
96.08160	8.8
97.02911	11.2
97.06540	4.8
97.10145	2.0
99.04449	7.8
99.08097	86.3
99.08752	4.5
105.01862	8.0
105.07027	23.9
107.04955	4.6
107.08601	13.8
108.08098	7.2
109.02876	19.7
109.06540	10.5
109.10150	13.1
110.09688	19.9
111.08067	2.8
113.09676	1.9
115.05504	2.1
117.07034	3.1
119.04981	3.2
119.08578	22.0
120.08105	13.1
121.06490	3.0
121.10145	29.3
123.08077	6.8
123.11717	7.8
125.05927	2.4
125.09639	14.1
127.03916	23.9
129.07043	3.5
131.08591	3.6
133.10155	15.7
135.08070	2.8
135.11725	5.2
136.07576	7.0
137.05988	20.8
137.09607	5.3
137.13263	2.7
138.06284	3.6
138.09149	26.5
139.11192	5.6
143.08569	6.0
145.04971	5.3
145.06487	2.2
145.10126	8.3
147.04378	1.8
147.07961	1.7
147.11719	22.9
148.07561	5.0
149.05949	2.5
149.09639	2.0
149.13246	2.8
151.07552	59.6
151.11151	4.6
155.08441	2.5
157.10138	6.8
159.02892	6.5
159.11697	8.2
161.06006	2.3
161.09679	3.4
161.13255	6.8
163.07587	4.0
163.11153	2.5
165.06952	2.4
165.09111	4.7
165.12755	13.9
166.08658	56.2
167.08687	3.0
171.11717	7.1
173.13222	5.0
173.85136	2.1
175.07565	1.8
175.11186	4.9
175.14857	5.5
177.09155	8.6
179.10844	1.9
179.14294	10.9
182.07291	2.5
185.13266	12.1
189.09087	4.9
189.12712	3.9
195.08208	2.4
199.14801	10.1
201.09163	1.9
201.16435	12.4
203.14314	7.0
210.09229	2.4
217.12338	4.3
217.15851	3.8
221.05942	2.8
221.09651	1.9
227.10564	1.9
231.04958	3.7
233.11728	2.7
238.08723	6.1
240.10199	2.7
241.19502	7.8
254.08220	4.6
259.20578	100.0
266.08121	6.2
268.09766	4.4
277.21686	9.1
284.09232	3.2
285.11273	7.1
287.12708	6.6
294.07520	2.7
296.09366	2.0
312.08691	10.2
322.07065	3.0
340.08099	8.3
360.10718	5.4
365.17484	3.2
372.10773	21.8
417.70651	2.1
481.23871	3.7
493.16083	6.0
507.17880	6.4
525.27753	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.01874	4.3
55.05521	10.1
57.03437	4.7
57.07069	5.1
58.35936	2.0
58.36351	2.1
61.02934	2.3
67.05508	20.1
68.99809	2.8
69.03437	30.0
69.07073	5.2
69.36803	4.3
69.37226	4.7
71.04996	4.6
71.96332	1.1
73.02918	3.3
79.05072	1.0
79.05493	6.5
81.02985	2.1
81.03425	21.1
81.07058	16.2
83.04988	5.4
83.08622	2.0
85.02914	25.6
85.06551	72.5
87.00839	11.5
91.03955	1.7
91.05490	7.3
93.07069	9.7
95.04976	6.4
95.08611	23.3
97.02894	10.2
97.06528	3.2
97.10227	1.2
99.04446	6.6
99.08100	81.7
103.05492	2.0
105.01900	5.6
105.07043	21.8
107.04955	2.1
107.08604	11.9
109.02869	16.9
109.06523	8.3
109.10162	11.5
111.08090	2.2
113.09602	1.6
115.03914	1.5
117.01844	2.4
117.07023	2.6
119.08590	30.5
121.06524	2.8
121.10155	28.1
123.08099	6.6
123.11708	6.3
125.05991	4.0
125.09647	11.0
127.03924	22.9
129.07050	2.5
131.04936	1.9
131.08589	5.9
133.06496	2.6
133.10143	13.2
135.08066	2.4
135.11664	5.9
137.05998	12.2
137.09618	6.3
139.07587	1.2
139.11198	5.1
142.07793	2.8
143.08574	5.1
145.04984	6.7
145.10110	7.8
147.08107	2.0
147.11690	27.8
149.09612	2.3
149.13271	2.8
151.07545	10.8
151.11194	3.1
156.09383	2.4
157.10071	5.7
159.02910	5.9
159.11728	14.4
161.05991	2.1
161.09637	4.1
161.13289	4.9
163.11197	3.4
165.09201	2.2
165.12761	16.1
170.10951	2.4
171.11659	6.8
173.13268	4.5
175.07510	1.9
175.11200	4.0
175.14848	5.2
177.09160	1.8
177.12769	12.3
179.14308	10.3
185.13303	9.9
187.14766	1.2
189.09160	1.4
189.12822	4.0
190.13490	1.8
199.14882	9.8
201.16405	12.3
203.14357	6.0
205.12209	1.7
213.03909	1.3
217.15976	2.0
221.15211	1.3
231.05040	4.0
241.19560	7.3
242.08401	1.3
259.20596	100.0
271.09702	1.3
272.91129	1.3
277.18082	1.5
277.21671	9.2
289.05399	3.7
439.22992	1.4
481.24316	6.1
502.80090	1.2
507.22034	8.8
525.22809	20.7
525.27136	19.7
550.18658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01866	2.6
55.05504	8.0
57.03426	5.3
57.07082	7.9
63.28745	1.2
67.05503	15.9
68.99776	1.9
69.03431	23.3
69.07062	5.7
70.48823	1.3
70.86732	3.3
71.04993	3.5
73.02905	2.9
79.05481	5.5
81.03414	19.4
81.07063	13.6
83.04975	6.0
83.08613	2.5
85.02904	22.7
85.06545	62.3
87.00842	9.5
91.05497	7.8
92.27711	1.4
93.07048	13.3
93.20354	1.8
95.04955	4.6
95.08597	21.0
97.02886	8.6
97.06512	2.6
99.04453	5.4
99.08094	72.2
105.01864	6.4
105.04538	1.8
105.07031	15.5
107.08602	10.7
109.02878	17.6
109.06534	8.8
109.10166	7.8
117.07001	2.8
119.08585	25.3
121.06503	2.9
121.10152	24.2
123.08065	6.1
123.11692	6.0
125.05939	3.0
125.09635	12.7
127.03912	22.8
129.01808	2.8
129.06996	2.9
131.08556	4.9
133.10139	11.1
135.08011	2.0
135.11710	3.6
137.05983	5.6
137.09602	5.3
139.11157	4.6
141.06953	1.5
142.07828	2.7
143.08580	4.6
145.04926	4.6
145.10121	6.0
147.08031	2.2
147.11699	24.5
149.09563	2.8
149.13242	2.9
151.07516	10.9
151.11206	3.7
157.10104	6.6
159.02872	6.4
159.11693	9.1
161.09584	2.9
161.13226	5.2
165.12769	15.4
169.10123	1.9
170.10886	1.7
171.11688	5.2
173.13269	3.9
175.11211	4.8
175.14819	6.4
177.09116	2.6
177.12735	3.5
179.14287	12.0
184.12456	1.8
185.13283	8.6
189.12727	2.6
199.14864	7.9
201.16360	11.5
203.14301	4.8
207.66896	1.5
217.15886	2.7
231.04980	3.7
241.19589	6.8
243.06577	1.4
259.20575	100.0
277.17578	2.1
277.21609	8.8
289.05103	1.9
291.26810	1.6
439.23065	2.3
453.85822	1.7
463.22894	3.1
481.24045	8.3
507.21973	6.8
525.22754	20.4
525.27222	15.9
541.68848	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.05511	10.3
57.07063	4.9
67.05506	24.8
69.03421	2.8
69.07069	27.9
69.20464	17.3
71.04998	2.2
79.05482	10.8
81.07059	100.0
83.08625	14.4
85.02879	4.1
85.06557	10.5
91.05469	6.4
91.78915	1.8
93.07046	25.4
95.08609	79.9
97.02860	4.5
97.06519	1.9
97.10157	8.7
98.21534	3.7
99.08085	4.2
104.16915	1.7
105.07035	5.2
107.08597	27.3
109.10160	50.0
111.08058	4.8
111.11745	9.2
113.09623	2.1
119.08593	4.3
121.10143	18.4
122.11449	1.9
123.11714	37.9
125.09639	2.6
125.13284	1.7
125.36783	1.7
127.11199	2.2
131.04935	2.6
133.10147	4.0
135.11703	14.9
137.05946	2.5
137.13274	14.5
139.11174	2.3
147.11719	3.4
149.13266	23.6
151.07516	1.7
151.14824	10.5
153.12712	4.2
155.89352	1.9
159.17863	1.7
161.13242	3.5
163.14832	24.3
165.16408	2.8
167.07022	2.0
167.14375	3.0
171.13780	2.1
177.16350	10.0
189.09172	2.1
189.16270	1.9
191.17952	5.5
203.17963	4.0
213.34023	1.9
217.19461	4.4
235.20645	2.1
247.23756	1.9
273.25812	12.4
279.26807	3.7
287.03714	2.4
289.05386	10.2
291.26825	40.2
309.27930	22.3
327.28833	3.7
345.29974	2.9
359.12683	2.1
377.39175	1.8
389.62048	2.1
441.01443	1.6
481.24631	2.2
507.21521	2.5
525.23047	24.5
525.30164	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12326	0.8
52.34651	0.9
53.03950	1.2
55.01883	1.1
57.03429	1.2
67.05515	6.7
69.03433	2.4
70.69271	2.9
71.01338	3.3
79.05499	8.2
81.03419	1.8
81.07056	3.6
85.02897	5.9
91.05491	20.5
93.07050	11.1
95.04960	2.7
97.02895	2.6
98.97617	1.2
103.05466	6.1
105.03397	1.2
109.02867	1.2
109.06549	2.9
112.76794	0.9
119.04949	18.8
120.08105	2.1
121.06507	23.6
121.40407	1.2
123.04449	6.5
137.05986	24.9
139.07539	1.7
144.58940	1.0
145.04968	1.3
147.04416	16.2
149.05963	10.6
152.55602	1.0
163.03944	1.3
165.05487	12.7
167.07042	25.4
175.03922	4.5
175.45151	0.9
175.83124	1.0
180.03537	0.9
183.06523	4.5
193.04977	48.0
211.06029	100.0
221.19905	0.9
224.56204	1.0
292.25714	1.0
311.07629	1.5
321.48911	1.0
329.05084	1.6
329.08694	14.2
347.09610	3.6
526.23254	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	526.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48867	0.9
67.05498	1.7
69.07063	1.5
70.06594	1.3
71.52119	1.3
71.52467	1.1
79.05479	2.0
80.05021	1.4
81.03419	1.3
81.05787	1.6
81.07047	3.1
82.06570	3.0
90.02615	0.9
91.05484	3.3
93.07052	9.9
94.06572	9.9
95.04955	1.7
95.07359	13.4
95.08638	1.8
96.08135	23.6
97.06520	1.9
103.05455	1.5
107.08588	1.6
108.08133	12.2
109.08881	1.9
109.10142	1.0
110.09689	39.0
120.08118	25.1
122.06051	1.1
123.06828	1.1
123.11739	2.0
124.07596	1.2
124.11979	1.0
136.07553	2.6
137.05975	4.5
138.09145	48.8
147.04427	1.3
148.07553	7.4
149.13211	1.0
151.07545	8.4
152.07880	3.0
166.08647	71.7
199.08617	3.3
211.08693	4.3
212.09364	1.8
213.10284	4.9
225.06534	1.7
225.10236	3.3
227.11848	5.1
229.09732	2.0
237.10175	1.5
239.11755	3.6
240.08971	1.1
241.09691	2.5
242.10506	1.3
245.12895	11.3
251.11905	1.2
253.09749	5.2
254.10521	1.5
255.11310	15.5
265.09607	1.2
267.11295	9.5
279.11273	1.5
283.10797	9.3
285.12201	4.5
293.09201	2.0
295.10745	4.2
297.12415	1.6
299.10333	1.6
301.11832	20.4
311.10217	2.0
313.08380	1.4
313.11862	20.7
323.10156	2.1
325.11780	2.5
329.11316	19.0
341.11295	7.4
352.14810	1.0
353.02231	1.3
353.11340	4.3
361.13953	100.0
373.14026	6.0
448.19040	1.2
466.19705	4.7
484.35675	1.0
494.19177	17.5
508.20602	6.2
511.32877	1.1
526.22168	28.6
527.24615	2.9
542.59766	1.2
549.52557	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01877	7.1
55.05273	0.8
55.05516	9.4
57.03196	0.6
57.03440	6.7
59.04993	2.0
67.05174	1.0
67.05508	9.6
68.74338	0.5
69.03439	0.8
69.07054	1.9
70.10323	1.5
70.10733	1.3
71.01331	1.0
71.04981	2.6
71.20172	0.5
78.83058	0.6
79.05072	1.0
79.05499	13.0
81.03421	7.5
81.07061	12.8
83.01350	6.8
83.04983	8.1
83.08626	7.3
85.02914	2.8
85.06547	1.0
88.90828	0.5
91.05482	7.9
93.06493	0.9
93.07051	17.3
95.04977	5.3
95.08600	4.4
97.02856	1.6
97.06534	3.0
97.10165	0.7
99.04444	2.1
105.04538	0.8
105.07034	6.6
107.04956	5.6
107.08598	9.2
109.06530	5.4
109.10183	1.5
110.66738	0.5
111.04443	2.0
111.08066	1.7
117.07010	4.7
119.08572	5.8
121.06492	2.5
121.10141	5.3
123.08085	6.3
125.05988	1.4
125.09628	1.0
129.07025	1.1
130.07770	1.0
131.08566	1.5
133.10114	1.5
135.08037	1.3
135.11707	8.2
137.09618	1.1
139.07536	0.7
143.08586	0.6
145.10120	10.9
145.76343	0.6
147.08003	1.8
153.12741	2.3
155.08578	1.2
163.11188	17.4
173.09607	2.3
181.12225	2.8
191.10672	2.0
209.11687	6.1
227.12775	2.7
248.12828	0.6
283.15405	100.0
491.26422	31.8
526.35809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37297	1.7
55.05515	16.7
57.03436	14.1
57.07076	5.0
59.04980	2.1
65.03943	3.5
67.05511	100.0
69.07072	14.9
69.35673	1.6
69.42305	1.5
71.04984	3.4
71.08636	2.8
77.64273	1.3
77.64753	1.4
79.05496	9.7
81.07064	41.5
83.08620	12.3
85.06519	2.1
85.10181	2.0
87.04452	1.9
89.06040	28.0
91.05491	12.2
93.07052	12.2
95.08616	31.6
97.06525	3.5
97.10163	5.1
105.07043	4.3
106.84484	1.5
107.08628	7.5
109.10168	67.9
111.08088	3.4
119.08592	7.7
121.10139	5.2
123.11706	5.1
133.08626	13.9
133.10139	4.5
135.11676	2.3
137.09627	3.2
137.13171	2.1
145.99197	1.7
147.11722	2.2
155.10660	4.2
161.13251	2.0
163.14748	1.5
172.12367	1.4
173.11745	16.1
177.11215	5.8
221.13918	1.6
229.14362	92.0
239.14917	1.9
245.22754	2.0
263.23657	4.3
327.20129	17.2
337.27390	94.3
491.37338	68.8
509.08868	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	527.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.4
69.03425	1.2
69.48217	1.8
69.48623	0.7
70.06578	0.4
77.03933	0.6
79.05507	0.7
81.03412	1.6
85.02915	1.2
87.04468	1.5
89.03923	0.8
91.05485	18.9
93.07050	0.4
95.82633	0.4
97.02898	0.5
98.20793	0.7
103.05472	0.9
105.07043	1.1
109.02901	0.6
119.04945	29.4
127.03896	0.5
132.02054	1.1
135.04387	0.4
141.09048	0.7
145.02802	0.5
145.96928	0.3
147.04414	26.8
149.02383	1.1
149.29669	0.3
157.03955	3.3
164.04712	1.1
174.03249	0.4
175.03914	49.8
179.03745	0.4
179.07018	2.5
192.04254	0.6
197.04823	2.1
205.62646	0.4
207.06535	100.0
208.06911	0.8
209.51274	0.4
210.51314	0.4
225.07541	0.8
251.40167	0.5
271.15652	0.4
321.87317	0.4
351.10709	2.9
369.11816	6.4
369.16302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
59.04987	3.0
65.00630	0.9
65.03937	1.6
67.05514	1.3
69.03423	2.2
69.96085	2.5
69.96478	1.8
70.06583	3.0
71.04981	1.0
72.33453	0.9
74.28903	1.0
77.03909	0.9
77.27576	1.1
79.05465	1.3
81.03405	2.9
81.07066	5.2
85.02898	1.5
87.04469	17.5
91.02190	1.0
91.05488	20.3
93.07035	2.4
95.08614	2.1
97.02869	1.6
97.06548	1.9
98.21476	1.4
105.07030	2.1
109.02861	1.2
119.04950	28.3
119.08533	1.6
132.02057	1.4
133.10089	1.4
135.04402	1.0
137.05981	2.4
137.09576	1.7
137.30751	0.9
145.02852	1.4
147.04419	27.4
149.02388	1.1
157.03963	2.1
161.09612	1.8
161.18724	1.0
163.03940	3.4
164.04292	1.7
168.20686	1.0
175.03912	46.4
179.03738	2.5
179.07008	1.9
186.90050	0.9
197.04773	21.2
207.06541	100.0
351.10690	2.9
367.43024	0.9
369.11691	5.5
395.21387	1.1
412.17276	1.1
412.35165	1.2
527.24384	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	527.247
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	0.8
69.25309	6.2
74.03534	0.7
81.07059	2.1
84.39730	0.6
87.31474	0.6
91.05558	1.1
93.07046	1.2
94.06564	0.8
95.07392	1.6
95.08598	1.0
96.08137	2.6
103.98663	0.7
110.09690	1.9
111.10007	1.5
120.08111	2.9
123.11697	1.0
130.10533	0.8
137.06039	0.8
138.09154	2.6
139.09464	1.2
145.49864	0.8
151.07562	1.3
166.08696	4.6
167.08965	1.7
203.05295	1.7
207.06508	0.7
243.04845	2.5
245.06335	4.2
255.11426	0.8
255.19809	0.7
261.18384	1.4
263.19852	2.1
268.11606	0.9
279.19418	6.4
287.03763	18.8
289.05325	31.2
301.11969	1.1
302.12277	1.2
314.12167	1.6
345.01407	0.7
361.13855	3.5
362.14261	7.3
409.14993	0.9
441.24557	1.9
468.35275	0.8
483.25720	9.6
495.19928	1.2
509.22989	0.8
527.24683	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	527.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.9
55.01865	1.1
55.05514	11.1
57.03427	2.5
57.07064	1.7
59.04990	0.6
65.03934	1.2
65.11046	0.6
67.05510	22.1
69.03426	0.6
69.07073	9.6
69.74679	1.7
69.75097	1.3
71.04991	2.2
73.06608	0.6
75.61401	0.5
79.05495	18.1
79.82004	0.5
81.02988	0.9
81.03426	9.9
81.07064	24.2
83.04964	3.1
83.08620	6.6
85.06547	0.8
88.15216	0.5
91.05485	15.8
93.07048	18.8
95.04974	4.6
95.08613	15.7
97.06534	2.7
97.10170	3.8
99.08082	0.7
105.04532	1.0
105.07032	13.7
107.04949	2.1
107.08607	9.6
109.06519	1.7
109.10173	7.5
111.08064	2.1
115.05472	0.9
117.07026	8.0
119.08592	12.8
121.06484	0.9
121.10152	7.7
123.08069	1.7
123.11720	1.0
125.09627	2.9
128.06250	1.5
129.07007	9.2
130.07779	1.0
131.08583	15.8
133.06526	0.6
133.10141	8.4
135.08040	0.7
135.11691	4.4
137.09605	0.7
141.06993	3.1
142.07776	1.7
143.07512	1.0
143.08572	11.7
143.09694	0.6
145.10136	12.5
147.08134	0.9
147.11693	5.3
149.09596	0.8
149.13252	2.1
154.07790	0.7
155.08545	7.5
156.09320	0.8
157.10141	11.2
159.11711	9.5
161.13251	2.6
163.11188	0.7
163.14738	0.6
167.08542	2.8
169.10136	8.1
171.11679	8.9
173.13258	7.5
175.11186	1.9
175.14856	0.8
177.12924	0.6
179.08557	0.9
181.10139	4.1
182.10939	0.9
183.11697	8.4
185.13261	7.0
187.11217	0.7
187.14847	3.4
193.10239	0.8
193.12297	4.5
195.11726	3.9
197.13246	6.1
199.14905	3.8
201.16367	1.0
203.14372	0.6
207.11716	1.4
209.13290	3.6
211.14819	3.8
213.16455	2.3
215.18098	0.7
221.13287	1.6
223.14865	2.4
223.16768	0.6
225.16451	1.8
227.17993	1.1
235.14879	1.8
237.16493	1.3
241.19595	0.6
243.21199	0.5
251.17966	0.9
255.17490	0.6
257.19333	0.6
261.22217	1.7
281.19144	0.5
283.20496	0.9
285.22128	0.7
295.20590	1.2
297.22345	0.6
309.22260	1.0
311.23782	1.3
313.21613	0.7
323.23853	1.6
339.23383	1.0
341.24799	1.2
355.26389	0.8
371.26010	0.6
379.26398	0.7
417.31564	4.9
435.32657	13.4
436.55786	0.7
453.33643	6.7
471.34698	2.5
473.34473	1.1
491.35199	1.6
492.50647	0.7
509.36377	6.8
527.37372	100.0
528.37372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
54.90504	0.5
55.01869	2.2
55.05518	12.6
57.03437	2.4
57.07069	1.4
59.05002	0.6
65.03964	0.9
67.05511	26.0
69.03444	1.1
69.07079	6.8
69.42423	3.7
71.04982	2.0
75.07179	0.5
79.05028	0.6
79.05499	22.2
81.03426	17.4
81.07063	23.2
81.07538	1.2
83.04993	2.2
83.08623	9.0
85.06540	1.0
91.05488	19.1
93.07050	18.8
95.04967	6.1
95.08614	13.9
95.13413	0.5
97.02877	0.6
97.06538	1.4
97.10185	7.0
99.08092	1.0
105.07038	14.2
107.04984	1.9
107.08608	12.9
107.09312	0.9
109.06522	1.5
109.10161	9.8
111.08116	3.1
115.05457	0.8
117.07029	7.0
119.08587	12.0
119.09380	1.0
121.06527	0.7
121.10152	7.3
123.08088	1.1
123.11742	1.8
125.09649	4.3
128.06256	1.6
129.07013	8.8
131.08572	13.3
133.06511	1.1
133.10129	7.4
135.08063	1.1
135.11696	5.0
137.09644	0.9
141.07036	2.2
142.07787	2.0
143.08585	8.8
145.10136	10.9
147.08044	0.9
147.11719	6.2
149.09682	1.6
149.13278	2.7
154.07828	1.0
155.08568	5.0
156.09338	1.1
157.10155	11.0
159.11708	8.0
161.13219	3.1
163.11273	0.7
165.07069	0.7
167.08575	1.8
168.09322	0.8
169.10176	4.9
171.10287	0.9
171.11687	5.7
173.11810	1.0
173.13261	6.8
175.11218	2.0
175.14876	1.9
179.08650	0.6
181.10133	3.0
183.11742	5.5
183.13255	0.8
185.13284	4.9
187.14856	2.4
189.11252	2.4
189.16447	0.7
193.10498	0.8
193.12262	8.3
195.11769	2.2
197.13341	4.1
197.14954	0.7
199.11368	0.5
199.14897	3.4
201.16425	0.9
207.11951	0.7
209.13300	1.6
211.14897	2.7
213.16457	1.2
215.14265	0.6
221.13327	1.5
223.14896	1.7
225.16547	1.3
235.14879	1.5
237.16394	0.8
239.18095	0.8
243.21053	0.9
249.14684	0.9
249.16884	0.6
251.18025	1.3
261.22244	2.9
267.21146	0.5
285.22092	0.9
291.97751	0.6
297.22272	0.9
299.23685	1.3
301.22083	0.7
301.25345	1.6
309.22131	0.9
311.23770	1.2
317.24857	1.1
323.23737	0.8
325.25204	0.6
327.23471	1.1
339.23221	0.6
341.25168	0.8
389.45819	0.6
417.31744	3.3
435.32663	9.8
453.33670	6.9
471.34955	4.5
471.40588	0.9
491.35132	1.0
509.36261	3.8
527.37378	100.0
528.37805	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01862	2.8
55.05515	13.3
57.03428	2.7
57.07069	1.7
57.49325	0.7
58.21841	0.8
60.08118	0.9
67.05511	30.4
69.03412	1.7
69.07071	6.2
69.47550	3.5
69.47960	1.8
70.41009	0.8
71.04996	1.4
72.78956	0.9
79.05499	22.1
81.03421	20.4
81.07064	22.0
83.04987	3.5
83.08620	8.3
85.06547	1.0
91.05490	16.8
93.07053	19.5
95.04975	5.7
95.08620	14.3
97.06547	2.5
97.10172	6.7
103.05456	0.9
105.07035	16.0
107.04961	2.3
107.08602	13.6
109.06563	1.3
109.10158	10.6
111.08094	3.7
115.05438	0.9
117.07030	7.7
119.08586	13.8
121.06499	1.5
121.10139	7.8
123.04456	0.9
123.08097	1.2
123.11747	2.1
125.09636	5.1
128.06174	1.5
129.07013	8.2
131.08589	10.7
133.06451	0.9
133.10124	6.5
133.61957	0.7
135.08051	1.2
135.11736	5.6
140.53500	0.8
141.07033	2.4
142.07796	2.8
143.08586	5.4
145.10126	10.0
147.11707	5.4
149.13278	3.3
155.08586	3.5
157.10124	7.2
159.11708	6.9
161.09509	0.9
161.13301	3.5
165.12834	1.0
167.08551	1.5
169.10149	3.4
171.11693	7.0
173.11812	1.6
173.13280	4.4
175.11162	2.5
175.14842	1.7
181.10106	2.8
181.11858	0.8
183.11685	4.0
185.13243	4.1
187.14835	2.7
189.11267	3.1
189.16499	0.8
193.10532	1.5
193.12236	8.6
195.11662	1.8
197.13303	2.7
199.14845	2.7
209.13399	1.5
211.14879	2.5
213.16438	1.7
215.17937	0.9
223.14854	1.7
237.16414	1.4
249.14932	1.7
261.22235	3.0
273.18381	0.8
285.18600	1.0
299.23615	1.5
301.25159	1.5
311.23691	1.1
317.24829	2.1
323.23529	1.0
341.25055	1.1
417.31610	2.8
435.32626	7.1
453.33517	6.8
471.34677	5.2
491.35629	0.8
509.36343	2.4
527.37366	100.0
528.37842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30116	1.1
53.03932	1.5
55.01865	1.3
55.05507	7.3
57.03429	2.6
57.07074	3.0
59.04982	1.4
61.02905	2.7
61.68754	1.1
66.06324	0.9
67.05504	13.4
69.03448	4.8
69.07059	2.8
69.91942	3.4
70.06593	4.2
71.05000	6.4
79.05476	4.6
81.03416	1.9
81.07058	72.7
83.08610	1.6
85.02910	18.8
85.06524	5.4
86.09683	1.3
89.06020	1.3
91.05495	2.5
93.07043	9.7
95.04964	5.2
95.08613	16.6
97.02885	5.2
97.10164	9.9
98.21460	1.6
99.04437	2.5
99.08088	1.7
105.07003	2.6
107.08582	4.3
109.02856	2.5
109.06488	2.9
109.10126	5.1
110.07134	1.1
111.08066	3.5
113.06007	1.5
121.10095	1.1
123.11710	75.8
127.03929	4.3
127.11191	3.4
133.10120	4.8
139.33771	1.0
140.19452	1.0
141.12718	3.6
145.02989	1.0
145.04942	6.1
151.11180	18.7
163.03873	4.2
163.06050	3.3
165.05443	1.5
169.12242	98.6
180.92776	1.1
187.13301	100.0
195.34474	1.0
295.15259	1.2
298.17242	1.1
331.17438	6.3
348.14542	1.7
466.28989	1.0
528.28845	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	528.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	7.0
57.03440	5.0
57.07077	12.4
57.22639	1.0
59.04993	4.0
67.05510	0.9
67.85028	0.8
69.03085	1.3
69.03439	19.5
69.07076	53.5
71.05000	5.3
71.08642	9.0
71.51893	1.0
71.52260	0.9
73.06557	10.9
76.07872	0.7
81.03424	1.5
81.07072	0.8
83.08614	2.9
85.02908	13.8
85.10191	5.3
87.04482	11.4
89.06042	29.8
91.05435	0.9
93.07036	1.7
95.08611	1.2
97.02900	14.0
99.04513	0.9
99.11731	1.0
107.04974	0.9
111.11730	84.1
115.03947	16.6
121.10101	0.8
123.11683	0.9
127.03926	2.3
128.87558	0.9
129.12770	100.0
133.04979	14.2
137.05971	1.2
145.04964	2.5
170.15370	1.1
199.16945	23.1
217.18010	35.4
233.01147	0.8
279.84711	1.0
286.12930	0.9
369.58459	1.0
375.15503	4.4
496.20828	1.0
528.19147	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	528.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.1
53.92904	1.0
55.01874	10.7
55.05272	1.5
55.05514	21.0
55.27916	1.1
57.03207	1.6
57.03444	18.7
57.07079	1.7
59.04999	2.6
65.03942	1.2
67.05506	26.8
69.03416	4.3
69.07077	9.3
71.04988	7.4
71.11059	3.1
79.05496	35.4
81.03423	61.7
81.07065	32.8
81.61037	1.3
83.01319	6.4
83.04988	22.7
83.08165	1.8
83.08624	27.1
85.02909	21.9
85.06543	2.3
86.05624	1.2
91.05484	32.3
93.06491	2.1
93.07047	31.8
95.04975	25.1
95.08603	14.7
97.02876	4.5
97.06517	7.0
97.10162	4.3
99.04440	3.0
99.08158	1.2
105.07037	28.5
107.04974	12.7
107.08596	15.7
108.26072	1.1
109.06513	8.6
109.10146	4.5
111.04427	3.6
111.08088	8.7
113.05995	1.8
115.05404	1.6
117.07027	7.9
119.08581	22.1
121.06494	4.1
121.10150	14.3
123.08062	10.3
125.06027	1.8
125.09629	1.5
128.06201	1.0
129.07011	10.7
131.08572	14.0
133.06491	2.4
133.10120	10.3
135.08044	1.5
135.11699	9.8
137.09647	2.5
142.07788	1.7
142.87228	1.1
145.10144	13.6
147.08049	3.4
147.11668	10.4
149.09650	6.1
152.43254	1.1
153.12723	2.5
155.08594	1.5
156.85387	1.4
157.10133	11.9
163.11182	21.7
165.12737	2.6
173.09587	3.6
175.11215	12.6
181.12201	5.5
191.10680	2.0
193.12259	38.1
209.11737	7.8
211.13307	72.3
227.12784	5.1
267.15930	15.5
283.15411	100.0
285.16986	52.3
310.36368	1.3
383.22165	2.6
412.96323	1.3
457.25974	1.9
473.29880	1.4
475.27011	14.2
479.25272	1.2
493.27991	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	16.2
55.66123	3.0
56.13716	2.8
57.03431	13.2
57.07068	11.9
59.04974	4.4
60.55187	2.7
67.05508	89.2
69.07076	26.9
71.04989	11.1
71.08629	7.5
71.53300	3.0
72.98071	2.8
79.05487	9.2
81.07073	30.0
83.08653	20.3
85.10186	3.3
89.06026	3.1
91.05486	5.3
93.07040	8.4
95.08612	18.3
97.10189	8.3
107.08588	9.0
109.10171	77.3
118.54358	3.0
119.08604	5.4
121.10162	9.6
135.11658	5.2
149.13205	3.8
153.12657	3.8
173.11742	20.5
225.80005	3.2
229.14369	100.0
239.79912	3.4
255.15950	6.2
269.56363	3.0
283.26364	3.1
339.28995	85.1
493.38913	58.9
528.49744	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	528.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.05509	8.5
57.03450	11.5
57.07079	25.0
65.04546	2.3
66.21207	2.1
67.05507	29.7
69.07090	13.9
69.89001	11.8
71.08638	18.4
79.05494	26.6
81.07052	17.7
83.04993	7.0
83.08610	6.0
85.10191	9.4
89.06045	5.0
91.05498	8.9
93.07056	22.4
95.08640	15.9
97.06551	5.6
97.10162	9.0
107.08608	20.4
109.10169	9.8
115.67773	2.2
117.07009	4.9
119.08551	3.5
121.10129	3.8
135.11700	37.9
145.10129	6.7
163.11182	5.7
181.12206	11.7
187.86861	2.6
193.87346	2.5
217.87143	2.3
239.23727	2.5
255.15930	100.0
283.26331	15.0
313.27399	68.3
493.38971	69.0
528.50360	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	529.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01861	1.2
55.05506	1.9
57.03441	4.3
61.02929	2.1
67.05497	1.5
69.03431	6.8
69.07062	2.9
70.90063	1.7
71.04995	20.1
73.02908	1.5
75.04494	1.2
79.05502	1.2
81.03419	4.2
81.07033	1.9
83.04989	3.4
85.02908	40.2
87.04461	1.1
90.35184	0.8
91.03899	1.0
91.05469	2.1
93.07050	2.6
97.02891	5.8
99.04485	2.0
101.72054	0.9
105.07025	2.0
109.02888	2.5
111.04419	2.2
115.05455	1.9
117.07008	1.6
119.08638	1.0
127.03922	4.6
128.06203	1.1
129.05482	7.1
129.07010	3.1
131.04915	2.9
135.11676	0.9
137.05963	4.1
142.07750	7.3
143.04918	1.0
145.04939	3.5
145.06517	2.3
147.04398	2.5
147.06560	2.4
148.05106	1.3
149.05969	4.8
157.06461	2.7
157.10147	9.1
159.08000	1.0
161.05981	8.5
162.13696	0.9
163.07597	1.7
165.05473	2.5
167.08540	1.2
170.07297	3.0
174.06789	3.9
175.07564	3.5
175.11267	1.0
183.80183	0.9
185.09671	5.7
188.08273	1.4
193.08594	1.6
203.10678	100.0
205.12239	14.0
207.06575	1.2
215.10648	1.9
217.12308	2.2
221.11739	38.4
227.10703	2.5
231.10062	1.3
233.11716	3.2
245.11804	4.8
263.12802	2.0
269.11682	1.5
287.12729	2.2
288.97629	0.8
313.14352	1.6
315.21811	1.1
321.16907	2.0
329.13708	1.5
331.15570	1.7
349.16516	2.7
410.76917	0.9
457.18250	1.0
529.26569	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	529.3531
Annotation	25-O-Acetyl-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
51.07089	1.2
51.28869	1.3
53.03968	1.4
55.05504	6.1
67.05515	12.5
69.07076	6.7
76.85865	1.3
79.05498	8.8
81.03426	1.9
81.07056	14.8
83.04972	1.8
83.08583	3.3
91.05493	8.4
93.07041	12.7
95.08610	17.2
95.51889	1.2
97.06546	1.8
97.10182	1.5
98.21606	2.9
105.07040	15.2
107.08609	13.1
109.06515	1.5
109.10213	6.4
117.07050	3.3
119.08589	23.9
121.10143	8.6
123.11758	1.6
129.07004	3.7
131.08556	4.4
133.10132	21.7
135.08160	1.6
135.11739	9.9
142.07718	1.4
143.08548	3.3
145.10141	9.7
147.11694	6.2
149.13284	4.3
155.08565	2.5
157.10170	4.8
159.11671	7.2
161.09705	2.0
161.13263	6.6
163.11293	1.8
171.11739	4.0
173.13283	6.1
175.11151	2.0
175.14836	34.4
175.16307	2.3
181.10141	2.0
183.11696	1.5
185.13303	3.4
187.14824	7.1
189.12764	1.9
189.16443	9.0
195.00494	1.7
197.13312	2.1
199.14861	4.4
212.39600	1.4
213.16385	1.4
215.14359	6.9
215.17903	1.9
217.15932	1.9
227.17847	1.7
229.19563	1.4
237.16373	1.7
239.17924	1.8
241.19533	2.3
252.42882	1.7
257.62024	1.4
275.20111	4.4
291.21280	2.0
343.22583	2.6
357.24429	2.8
405.31641	6.1
433.30963	6.1
441.41919	1.5
451.32123	100.0
469.33136	13.3
483.34747	1.3
511.34323	11.8
529.25684	4.0
529.35675	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	529.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50099	0.5
53.03945	2.2
55.01867	1.4
55.05511	9.3
55.60172	0.6
57.03435	2.6
57.07074	2.4
65.03944	1.3
67.05508	21.8
69.07073	8.6
69.40416	4.6
71.04992	1.5
71.08610	0.7
79.05496	16.9
81.03403	0.6
81.07058	24.1
82.07421	0.7
83.04996	1.5
83.08614	5.2
85.06560	1.4
91.05489	14.2
93.07047	19.8
95.04980	2.0
95.08616	12.6
97.06554	2.6
97.10176	1.8
103.05489	0.7
105.04525	1.1
105.07045	12.5
107.08610	10.8
109.06503	0.9
109.10143	4.7
111.08069	1.7
117.07020	7.6
117.91673	0.6
119.08587	9.9
119.09370	0.8
121.06489	0.6
121.10148	6.6
123.08109	0.8
123.11722	1.9
128.06253	1.0
129.07018	5.7
131.08574	14.9
133.10141	6.5
135.08119	0.8
135.11707	4.0
137.09749	0.6
141.07024	1.6
143.08559	6.5
145.10138	10.4
145.11134	0.5
147.11658	4.9
149.13261	6.3
155.08601	3.2
157.10165	5.1
159.11700	8.1
161.13281	2.1
163.14824	0.9
167.08594	0.8
169.10158	3.8
171.11737	4.0
173.13306	3.6
175.14816	1.8
177.12798	1.1
181.10144	1.3
183.11757	2.5
185.13222	3.7
187.14799	3.2
195.11758	2.1
195.13750	1.0
196.12477	0.8
197.13335	2.3
199.14873	2.4
201.16455	1.6
209.13268	1.1
211.14944	1.6
213.16440	1.6
215.17943	0.6
223.14871	1.3
227.18211	0.9
237.16278	0.9
256.26389	0.8
261.22293	1.4
279.21078	0.7
299.23755	1.1
311.23651	0.7
317.24789	1.8
327.26767	0.6
409.34763	0.8
417.30042	0.7
419.33145	2.1
437.34171	7.9
455.35172	2.9
473.36682	0.9
511.37555	3.7
529.38910	100.0
530.39368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01871	1.4
55.05510	12.7
57.03450	3.4
57.07077	3.8
65.03938	1.8
67.05507	37.7
68.23011	0.6
68.61967	0.7
69.03416	0.7
69.07070	12.4
69.49605	4.9
69.59039	0.7
70.06582	1.8
70.52753	0.6
71.04997	1.7
79.05492	27.4
81.03402	1.9
81.07059	36.7
83.04961	2.4
83.08614	8.2
85.06549	1.7
88.07607	0.8
91.05481	22.3
93.07047	31.5
95.04971	3.7
95.08611	21.8
95.09066	0.5
97.06535	2.6
97.10169	2.7
97.55405	0.7
98.20803	0.8
99.08102	1.0
105.04539	1.5
105.07033	21.2
107.08595	14.1
108.16175	0.6
109.06516	1.9
109.10172	6.5
111.08096	2.4
117.07019	9.4
119.08587	13.1
121.10146	12.4
123.08124	1.2
123.11682	1.9
125.09643	1.3
129.07010	6.2
130.07852	0.7
131.08565	15.8
133.10130	10.2
135.11713	7.2
141.06963	1.5
142.07887	0.7
143.08568	7.7
145.10143	11.3
147.11703	4.7
149.09673	1.4
149.13261	8.1
151.11295	0.9
155.08501	3.4
155.60629	0.7
156.09409	1.0
157.10110	7.1
159.11697	9.8
161.13290	2.5
163.14857	1.6
167.08646	1.0
169.10100	3.4
171.11705	4.5
173.13268	5.2
175.14836	1.6
177.12810	1.3
181.10164	2.3
183.11722	2.8
185.13289	2.9
187.14857	3.1
191.18001	0.8
195.11852	1.7
195.13814	3.3
197.13306	2.0
199.14861	2.6
201.16405	2.8
209.13293	1.1
211.14812	1.7
213.16467	2.3
215.17963	1.6
223.14856	1.9
225.16481	0.8
227.18004	0.9
237.16464	1.1
239.18185	1.1
253.19826	0.8
259.20532	0.8
261.22128	1.9
284.26797	1.4
297.22296	1.1
311.29422	1.0
312.29837	1.3
313.25250	1.2
317.24817	1.5
325.25290	2.0
339.26865	1.1
419.33234	2.2
437.34268	8.8
455.35449	3.1
473.36136	2.0
493.37140	1.1
511.37881	5.3
529.38934	100.0
529.50092	6.7
530.39099	1.2
533.35663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.3
53.03943	3.6
55.01861	1.9
55.05511	14.3
57.03428	1.9
57.07078	1.6
65.03931	2.7
67.05508	48.3
69.07065	14.4
69.72889	6.6
71.04990	3.1
71.08616	1.3
74.09702	1.0
79.05498	36.7
81.03391	2.8
81.07062	45.8
83.04978	2.0
83.08633	8.5
85.06551	2.0
91.05482	19.5
91.92244	1.1
93.07049	41.2
95.04958	3.6
95.08608	24.1
97.06554	6.3
97.10178	1.7
98.21472	1.2
99.08122	1.3
105.04525	1.2
105.07041	15.8
107.08597	21.3
109.06504	1.5
109.10165	7.1
111.08090	3.5
113.94918	1.1
116.17268	1.1
117.07019	9.7
119.08575	11.9
121.10153	16.7
123.11716	2.4
129.07033	3.3
131.08577	13.8
133.10133	12.9
135.08064	1.4
135.11705	8.6
139.11223	1.4
143.08594	3.3
145.10123	8.8
147.11696	6.0
149.13283	12.3
157.10138	3.8
159.11749	11.4
161.13269	4.6
169.10138	2.3
171.11696	4.9
173.13297	5.8
175.14822	2.6
177.12723	2.9
183.11777	1.9
185.13240	2.0
187.14861	2.6
195.12260	1.2
195.13821	5.6
199.14870	1.3
201.16426	1.5
211.14752	1.4
224.50766	1.1
256.26404	3.4
261.22287	3.1
273.43201	1.2
311.30811	1.3
363.34378	1.2
419.33093	1.9
437.34323	7.5
455.35196	3.6
473.36209	1.4
475.36066	1.3
511.37714	3.4
529.38940	100.0
530.38647	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
51.02598	0.5
53.03944	4.2
53.08646	0.5
55.01869	1.7
55.05512	14.3
57.03435	3.8
57.07067	2.5
64.26176	0.6
65.03943	3.1
67.05506	56.9
69.03419	1.3
69.07069	17.6
69.83667	0.6
71.04987	2.9
73.02904	0.6
77.03939	1.9
79.05495	44.9
81.03418	4.0
81.07058	60.7
83.04980	4.1
83.08620	9.7
83.62691	0.6
85.06542	2.4
86.81805	0.6
87.67619	0.6
91.05482	25.7
93.07047	54.9
93.84182	0.6
95.04955	5.4
95.08610	26.3
97.06525	7.3
97.10179	2.0
99.08092	2.6
99.35408	0.6
102.84766	0.5
105.04515	2.0
105.07028	16.4
105.07696	1.2
107.05009	0.8
107.08593	28.9
108.08891	0.7
109.06521	2.6
109.10161	8.3
111.08092	5.0
113.09638	1.0
117.07022	8.9
119.08588	9.7
121.06526	1.4
121.10146	21.4
123.11723	2.6
125.09647	1.0
129.07005	2.2
131.08571	13.0
133.10143	9.4
135.08105	0.8
135.11687	11.6
137.06032	2.5
137.09592	0.9
137.13274	0.7
139.11211	1.7
141.06920	0.7
143.08517	3.2
145.10118	7.8
147.11705	4.5
149.09700	1.1
149.12054	1.0
149.13260	19.7
155.08597	1.4
157.10130	2.1
159.11714	11.6
161.13245	3.0
163.03632	0.8
169.10176	1.7
171.11743	1.3
173.13217	4.1
175.14761	1.5
177.12785	3.8
177.16446	0.7
181.10056	0.8
185.13297	1.0
187.14795	1.9
193.12340	1.0
195.13765	6.3
197.13264	0.6
199.14880	0.8
201.16472	0.7
203.17873	0.6
213.14818	0.8
243.21078	1.4
259.20770	0.6
261.22141	3.3
317.24838	1.4
362.27609	0.6
406.39755	0.6
411.05359	0.7
437.34265	2.9
455.35205	1.1
473.36163	0.9
479.75238	0.6
511.37869	1.8
524.63373	0.6
529.38892	100.0
530.39410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
57.03488	0.4
57.58641	0.4
58.89660	0.5
69.03436	0.6
70.06593	100.0
71.36569	0.6
81.03414	1.7
91.05486	1.2
96.16495	0.3
97.02909	0.8
103.22492	0.4
105.02908	0.4
109.02888	4.2
112.07607	93.6
114.05579	0.6
116.07085	2.5
119.04944	2.0
121.06534	1.1
127.03889	0.9
140.07069	64.4
147.04437	2.1
149.05957	0.7
158.06894	0.8
158.08134	11.7
165.05443	0.5
193.05064	0.5
196.84235	0.4
212.09172	0.6
230.10149	1.0
266.10263	4.8
269.01865	0.5
284.11285	19.4
287.79794	0.5
302.12317	6.5
320.13504	0.6
385.29507	0.5
423.58893	0.5
479.92502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
54.17015	1.0
55.01868	3.0
55.05510	14.4
57.03436	14.6
59.04991	1.3
65.03929	1.8
65.98143	1.0
67.05507	24.9
68.45024	0.9
69.03416	3.9
69.07066	10.4
70.57138	1.6
70.57474	1.6
71.05009	5.4
71.05319	1.0
79.05078	1.7
79.05499	27.5
81.03420	72.6
81.07057	32.7
83.04985	16.6
83.08623	22.4
85.02913	28.3
85.03402	0.7
85.06522	2.2
87.04463	1.4
87.83776	0.9
91.05483	35.8
93.07043	17.0
95.04975	30.4
95.08080	1.0
95.08620	11.1
97.02882	3.3
97.06512	2.6
97.10161	4.2
99.08082	1.7
105.07037	26.3
107.04943	8.5
107.08636	8.2
109.06520	4.6
109.10165	2.6
111.04434	2.8
111.08083	13.7
113.05972	2.7
115.05471	1.9
117.07030	2.6
119.05007	1.4
119.07819	1.8
119.08595	22.0
121.06487	2.1
121.10152	11.2
123.08057	2.4
123.11704	3.0
125.09647	1.9
127.03945	1.3
129.07001	12.9
131.08580	13.6
133.06497	3.7
133.10147	14.0
135.08102	1.1
137.09651	1.9
142.07756	3.0
145.10121	2.4
147.08046	4.0
147.11693	17.1
149.09657	6.7
151.11147	3.5
157.10135	18.7
165.12732	4.0
173.29898	0.9
175.09792	1.6
175.11214	16.6
179.74266	1.0
193.12245	63.2
202.68053	1.0
211.13300	100.0
249.14755	1.3
253.52185	1.0
267.15918	29.2
277.54108	1.2
285.16971	95.2
290.87830	1.1
367.22699	1.1
385.23581	2.4
459.27322	9.5
471.09875	1.1
473.01154	1.2
477.28433	14.7
495.29578	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01857	7.2
55.05282	3.0
55.05518	39.5
57.03441	20.5
59.24339	2.5
59.29791	2.9
65.03926	3.2
67.05508	100.0
69.07076	20.9
71.04983	5.6
71.25750	6.4
72.18192	3.0
73.02905	4.4
75.43904	2.0
79.05501	49.7
81.03421	15.5
81.06591	5.0
81.07058	74.2
83.04977	11.7
83.08620	23.6
85.02915	12.0
85.06532	3.5
87.04456	6.9
91.05489	32.0
93.07048	48.1
95.04963	8.8
95.08160	2.3
95.08624	26.6
97.06525	10.5
97.10191	16.0
105.07047	18.2
107.04958	3.4
107.08611	36.2
109.06552	3.2
109.09484	3.2
109.10166	42.2
111.08073	8.4
117.07040	11.7
119.08586	10.3
121.06502	5.9
121.10143	16.4
123.08110	3.5
123.11729	4.1
125.09611	14.2
129.05455	8.4
129.06966	2.9
131.08545	9.5
133.10143	19.1
134.40390	2.7
135.08008	2.4
135.11691	15.3
137.09608	3.8
145.10112	3.6
147.11668	4.1
149.13248	18.6
151.11159	2.7
159.11722	11.5
163.11166	9.0
173.09682	2.6
173.11749	16.2
173.13123	3.6
177.12762	7.1
180.42720	2.7
195.13882	20.4
199.13268	3.6
209.11697	7.1
227.12810	4.8
229.14369	42.3
257.13928	2.9
267.15887	3.5
269.17508	63.8
283.15451	3.4
301.16397	14.0
344.28394	3.2
393.26263	3.6
411.27530	5.7
423.27643	19.6
495.29385	23.0
513.30591	16.7
530.38782	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	531.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.2
55.01866	2.1
55.05512	4.2
57.03426	2.4
57.07070	0.9
61.02906	1.8
67.05505	9.9
68.99776	1.3
69.03429	13.1
69.06718	0.4
69.07068	2.9
69.43647	0.9
69.44056	2.5
71.04995	1.3
73.02920	2.3
79.05492	0.9
81.03417	9.3
81.07056	3.7
83.05023	0.6
83.08623	2.3
85.02909	28.2
87.00838	8.0
87.40372	0.5
91.03921	0.8
91.05472	2.5
93.07027	1.6
95.08611	32.0
96.40143	0.4
97.02894	7.6
97.10173	0.8
98.20818	0.8
99.04450	4.5
103.03931	2.0
103.05444	0.9
105.01875	6.7
105.07023	2.4
107.04963	3.1
107.08583	1.4
109.02883	8.8
109.06553	0.8
109.10160	39.1
111.04461	0.7
115.03951	0.9
115.05444	0.8
117.01876	0.8
117.07017	1.5
119.08581	1.6
121.06503	4.6
121.10126	3.0
123.11738	0.9
127.03924	19.0
128.06235	1.0
129.01846	2.3
129.07039	1.1
131.04906	0.9
131.08571	1.2
131.68648	0.5
133.06493	12.6
135.08002	0.6
135.11719	1.1
137.05930	1.1
142.07706	0.6
143.06087	0.7
143.08560	0.8
145.04955	6.5
145.06471	3.3
145.10127	0.8
147.02875	1.7
147.08047	26.7
147.11684	4.2
149.09619	11.6
155.08531	0.9
157.06479	4.3
157.07668	1.0
157.10103	0.8
158.07263	1.3
159.02902	4.9
159.08060	6.3
159.11758	0.6
160.95073	0.4
161.09671	0.8
163.11192	6.2
167.08545	0.8
169.06458	0.8
169.10138	0.8
170.07222	0.7
171.08069	13.0
171.09544	0.6
171.11682	0.6
172.08836	1.6
173.09637	4.0
175.11198	13.6
179.08566	0.9
181.10130	1.4
183.08043	1.6
184.08896	0.9
185.09627	13.5
186.10461	1.2
187.11172	8.3
189.03975	2.0
189.12749	38.9
193.10193	1.0
195.08112	0.7
195.11653	1.0
196.08904	0.8
197.09659	4.8
198.10411	2.6
199.11192	12.1
201.12729	9.0
208.12378	0.5
209.09560	1.2
210.10384	1.4
211.11230	4.1
212.11931	1.5
213.09377	0.9
213.12741	20.0
215.14352	1.4
223.11174	0.7
223.14795	0.5
224.11893	0.5
225.12744	4.3
227.14325	8.6
231.05020	5.2
231.13762	2.4
237.12770	1.0
238.13612	0.5
239.14323	9.0
240.15103	2.8
241.15872	22.5
251.14362	1.1
253.15834	1.9
254.16617	1.8
255.17410	1.6
263.14288	0.6
265.15976	1.8
268.18250	1.4
269.19077	1.5
277.15961	0.6
281.18988	5.2
283.20569	100.0
293.18924	0.6
295.20599	1.5
297.14938	0.5
307.17133	0.7
307.20563	1.4
315.15894	0.7
319.20636	0.5
325.21585	1.0
373.21619	0.8
401.15878	1.6
419.17007	1.6
437.18030	1.6
513.25006	0.9
531.25873	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	531.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.5
55.01852	5.5
55.05519	15.1
57.03428	2.5
57.07071	3.5
64.09078	1.4
64.12666	1.3
65.03938	4.0
67.05509	73.5
69.03426	2.7
69.07069	16.6
71.04974	4.5
71.53107	1.4
79.05495	47.7
81.03429	3.1
81.07059	64.6
83.04982	7.7
83.08625	6.9
83.33754	1.3
85.06522	7.5
86.93374	1.2
87.04474	12.5
88.85819	1.4
91.05482	45.7
93.06495	2.4
93.07053	47.5
94.07381	1.6
95.04964	6.9
95.08616	26.6
97.06505	3.8
97.10178	2.2
99.04476	3.1
99.08077	2.6
103.05400	1.4
105.00036	1.9
105.07038	41.0
107.08601	47.4
109.06495	6.3
109.10164	63.0
113.05959	2.1
117.07020	6.8
119.08593	12.8
121.10156	16.8
123.08033	1.8
123.11743	12.1
125.09641	2.6
127.07523	3.0
131.08588	12.2
133.10135	72.0
134.10472	1.7
135.11703	10.5
143.08522	2.1
144.29512	1.3
145.10095	6.7
147.11685	6.2
149.13260	5.6
151.09973	2.6
151.11189	42.8
159.11679	7.0
161.09622	2.0
161.13223	3.7
163.14812	1.8
169.12262	10.3
173.13251	4.8
177.05484	3.9
179.10681	1.9
187.14767	1.7
189.11061	1.6
203.10727	1.4
215.12743	4.3
243.21126	3.9
252.79939	1.4
253.14369	74.3
259.20343	1.5
261.22198	17.6
261.93506	1.4
271.15347	2.4
317.24667	6.8
383.92844	1.5
439.32053	5.1
457.32861	1.6
482.11105	1.6
513.35620	10.8
531.36987	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	532.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
54.62183	1.0
55.01862	1.3
55.05510	2.1
57.07075	1.8
59.04990	1.5
67.05522	6.2
69.03426	4.2
69.07070	19.1
69.80719	5.1
71.05006	5.3
72.94524	0.9
79.05495	5.5
81.03412	2.8
81.07062	100.0
85.02911	14.7
87.00845	7.0
91.05495	2.0
93.07050	5.0
95.08613	53.6
97.02911	6.7
98.20848	2.4
99.04433	1.7
105.01208	1.8
105.01876	27.9
105.07031	2.0
107.08591	3.7
109.02871	4.4
109.10156	9.1
119.08602	1.5
121.10124	2.0
123.11708	1.7
127.03928	12.1
129.07076	1.3
133.10080	1.5
145.04991	5.7
145.60179	1.1
147.11635	2.6
151.13675	1.9
151.14825	25.2
153.12689	1.4
159.02864	1.8
203.17941	6.3
213.04161	1.3
231.05090	7.8
249.06058	15.1
273.56812	1.2
411.85776	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	15.6
67.05524	18.0
68.12291	9.7
69.03448	16.9
71.05000	9.7
71.52139	13.6
79.05519	16.5
81.03452	17.6
81.07083	51.8
85.02905	41.5
87.00874	13.7
91.05492	16.9
93.07057	38.9
95.04966	14.1
95.08612	29.4
97.02897	20.7
105.01838	18.8
105.07048	33.1
107.08608	29.5
109.02901	20.1
109.10170	22.3
119.08572	29.3
121.10174	24.5
123.11701	15.7
126.23045	9.8
127.03918	34.3
133.10118	22.9
135.11783	16.2
137.06001	16.7
145.04990	20.1
147.11681	31.3
151.07573	22.1
203.17973	100.0
231.04936	18.5
307.22336	11.4
465.60797	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	533.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18605	0.5
53.03928	1.5
55.01860	0.9
55.05513	0.5
57.03438	0.6
61.02934	0.7
64.22630	0.5
67.05499	0.6
68.99764	0.5
69.03428	5.4
69.07043	0.6
71.04984	1.6
71.52673	0.6
73.02908	0.6
78.04707	0.5
79.05493	2.6
81.03426	5.6
81.07050	1.5
83.04975	0.6
84.08131	0.5
85.02440	0.7
85.02911	9.8
85.06554	0.5
87.00845	1.0
87.04475	0.5
89.64342	0.5
91.05481	9.9
93.07044	1.7
93.07645	0.4
95.04961	0.6
95.08595	0.7
97.02894	6.6
97.06529	1.1
99.04459	1.8
101.12463	0.5
103.05433	1.2
105.07029	2.5
107.04950	5.0
107.08569	1.2
109.02890	7.8
109.06489	0.6
115.05449	0.6
117.07047	0.8
119.04945	22.1
119.08591	1.7
121.06509	3.1
121.10182	0.6
121.85501	0.4
122.03654	0.5
123.04426	1.3
123.08093	0.8
124.05225	1.5
127.03918	7.7
128.06232	1.0
129.06995	1.2
129.99326	0.5
131.04938	1.8
131.08559	0.8
132.05659	1.0
133.06502	1.7
133.10107	1.0
135.08093	0.7
135.11732	0.6
137.05969	6.2
144.05663	0.5
145.04968	1.5
145.06503	1.1
145.54408	0.5
147.04413	100.0
151.03960	1.0
151.07573	1.2
152.04703	0.7
153.05457	0.8
159.08064	1.8
160.05174	0.9
161.06023	2.2
163.03894	0.6
163.06145	0.5
163.07553	1.1
165.05486	5.3
165.12787	0.6
167.07045	22.6
169.06473	0.5
171.08003	0.7
173.13313	1.2
175.07558	9.5
175.14833	0.5
176.04713	0.8
177.05508	0.6
179.07022	1.1
187.07549	3.7
189.07127	0.7
189.09070	0.9
190.07832	0.6
191.07030	2.2
191.14331	4.8
192.07751	0.6
193.08611	3.3
199.07567	2.4
199.09160	0.4
201.05486	0.8
201.09215	0.7
203.08563	0.4
206.07271	0.6
207.06430	0.5
209.15381	1.1
213.03917	0.5
215.08681	0.5
218.07289	0.7
219.08153	0.5
221.09627	0.7
232.08838	0.7
233.09752	1.3
235.07661	0.8
248.08553	0.5
249.09178	1.1
261.09036	1.4
263.07080	0.7
277.08676	0.9
278.09457	0.6
281.11774	1.1
283.09940	0.8
285.11185	0.8
289.08658	1.5
291.08734	1.9
293.08273	0.4
293.11713	1.1
294.09021	0.6
309.11285	1.6
321.11169	3.8
323.09189	0.6
326.11301	0.6
339.18277	0.5
341.13831	5.1
353.13864	6.4
355.15536	0.6
371.15097	1.3
371.20615	0.6
377.08691	0.5
395.09735	13.0
533.20203	1.8
533.27032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61798	0.6
53.03950	3.1
53.71449	0.6
55.01877	1.3
55.05498	0.6
55.29706	0.6
57.03439	1.4
57.17680	0.6
61.02925	1.8
65.03944	1.1
66.01037	0.8
67.01874	1.1
67.05466	0.7
69.03432	8.3
70.76080	1.8
71.04968	1.4
73.02891	0.8
78.04715	1.8
79.05496	5.6
81.03426	6.6
81.07055	2.5
85.02438	1.1
85.02911	14.6
87.00816	1.6
87.04495	0.8
91.05489	11.8
93.07033	2.0
95.04965	2.1
95.08617	1.6
97.02901	9.1
99.04451	2.0
100.61892	0.6
103.05450	2.0
104.06284	0.7
105.04532	0.8
105.07035	5.6
107.04962	9.2
107.08630	0.8
109.02889	7.8
109.06527	0.9
109.10161	0.9
115.05437	2.4
117.07038	1.5
118.04159	0.9
119.04953	21.5
119.08609	2.8
121.06516	3.9
121.10116	1.0
122.03728	0.8
123.04416	3.0
123.08067	0.7
124.05185	1.9
127.03935	8.8
128.06236	2.4
129.07004	3.4
131.04936	2.6
131.08553	0.9
132.05685	2.1
133.02802	0.9
133.06502	4.2
133.10187	1.0
134.03627	0.7
135.08119	1.3
137.05995	9.0
141.06995	1.0
143.08594	1.1
145.04977	2.5
145.06493	1.1
147.04422	100.0
147.08084	2.6
148.04901	0.6
149.05991	0.8
151.03902	1.0
151.07500	1.3
152.04695	1.2
153.05475	1.4
155.07071	0.8
157.06456	0.9
159.08083	3.0
160.05255	1.2
161.06013	4.5
161.09671	0.8
163.03943	1.7
163.07520	1.1
165.05518	6.6
165.12755	0.6
167.07056	53.0
169.06512	1.1
171.08072	1.3
172.05220	0.9
173.13268	1.2
175.07578	21.4
176.04655	1.2
177.05457	1.1
178.07726	0.7
179.07053	0.7
184.05203	1.4
187.07535	8.9
189.07211	0.9
189.09120	1.8
190.07820	1.3
191.07063	5.3
191.08537	1.0
191.14326	5.2
193.08624	9.8
193.10301	1.0
195.13751	0.7
199.07501	8.4
201.05304	0.6
201.09149	1.5
202.07840	1.2
203.08636	2.5
207.08206	0.9
209.15381	1.2
213.15005	0.8
215.08731	1.3
218.07298	1.5
219.08061	1.4
221.09583	1.2
231.08118	1.9
232.08928	1.5
233.09573	2.6
235.07578	2.0
246.06807	1.6
248.08513	1.1
249.09123	2.6
250.09846	0.7
257.06012	1.1
259.07599	1.2
260.08429	1.0
261.09189	4.0
263.07162	1.1
265.08435	0.7
274.06256	0.9
276.08008	0.7
277.08661	1.8
278.09326	2.1
281.11728	3.3
285.11249	0.7
289.08597	4.1
290.09467	1.3
291.09012	1.0
292.10938	0.9
293.11707	1.0
306.08701	1.5
307.09604	1.9
309.11255	4.7
321.11154	7.5
322.11942	1.2
323.09256	0.8
325.14499	1.4
326.11475	1.3
338.94385	0.8
341.13849	12.9
353.13831	15.7
355.15393	1.9
371.14886	1.0
377.08511	1.0
395.09735	14.6
533.20459	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	533.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01871	0.7
57.03436	0.6
65.03949	0.4
69.03430	1.2
69.93379	1.9
78.04723	2.3
79.05505	6.3
81.03465	0.4
81.07053	1.0
82.72078	0.4
85.02908	3.1
91.05495	3.1
95.04959	1.6
96.05740	0.5
97.02882	1.1
99.72648	0.4
101.84141	0.4
103.05490	2.5
104.06265	0.6
105.03408	0.6
105.07050	5.2
106.04202	2.1
107.04965	12.0
109.02840	0.5
109.06534	0.6
115.05470	3.0
116.06222	0.6
117.07018	1.2
118.04151	1.3
119.08572	1.7
120.62914	0.4
121.02894	0.4
121.06510	0.9
122.03661	0.5
123.04451	6.0
124.05206	3.6
128.06252	2.9
129.07027	6.9
130.04155	0.7
131.04953	3.1
131.08566	0.6
132.05711	2.3
133.06514	5.1
134.03636	0.4
137.05991	1.3
140.04706	0.7
141.07025	0.9
144.05713	1.1
145.06488	1.6
147.04373	0.8
147.08061	1.7
149.06001	1.0
151.03920	1.8
152.04675	1.7
153.05449	2.1
155.04953	0.8
156.05742	1.7
157.06543	1.0
159.08076	6.4
160.05234	1.5
161.05994	9.1
161.09602	0.5
163.03925	0.5
163.07677	0.6
165.05405	0.6
167.07054	100.0
168.05708	0.5
169.06525	0.5
171.08038	1.4
172.05231	1.9
175.07558	18.5
177.05475	1.9
178.07802	1.2
179.07033	1.0
184.05206	1.2
187.07565	22.1
189.07010	1.0
189.09113	1.8
190.07816	1.4
191.07047	8.8
191.08592	0.9
192.07854	0.7
193.09991	0.6
199.07547	8.2
201.09056	0.7
202.07794	1.4
203.08559	2.7
205.06590	0.8
205.08554	0.7
205.10291	0.8
206.07329	1.7
207.08086	1.1
209.08031	2.6
215.08603	1.7
217.06580	0.8
217.08623	1.7
218.07359	2.2
219.08005	2.1
220.08859	1.0
221.09659	3.3
223.07529	0.5
230.07271	0.5
231.08081	2.3
232.08794	1.2
233.06082	0.5
233.09636	3.1
234.06772	2.9
235.07576	2.3
237.09085	0.6
243.08086	0.8
246.06766	1.2
247.07512	1.3
248.08414	0.9
249.09145	4.8
250.09955	1.1
251.07108	0.9
253.12190	0.6
258.06854	0.6
259.07504	0.7
260.08395	1.5
261.09125	4.2
262.06378	0.6
262.09738	0.4
263.07129	1.6
265.08582	0.7
266.09439	1.2
274.06198	0.8
275.07068	0.9
275.10797	0.4
276.07843	0.8
277.08670	3.2
278.09357	2.3
279.06274	0.6
281.11758	6.4
288.07883	0.5
289.08533	3.8
290.09314	0.6
290.29846	0.5
291.06705	0.9
291.10178	1.2
293.08469	0.7
293.11755	2.1
293.52557	0.4
294.08960	1.6
295.09753	0.7
306.08923	1.2
307.09680	1.5
309.11234	8.8
310.12064	0.8
311.09244	0.9
321.11240	7.7
322.11975	1.9
325.14386	1.5
326.11441	2.2
338.11539	0.7
341.13867	24.3
353.13867	12.4
371.14920	0.6
464.28253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01876	1.6
57.03430	1.3
61.02920	1.9
67.05518	1.2
69.03439	8.0
70.72603	1.4
73.02946	1.2
78.04720	2.0
79.04131	0.7
79.05502	8.3
81.03423	5.3
81.07079	1.3
85.02913	15.6
87.04487	1.6
91.03958	1.0
91.05486	5.6
93.07043	1.2
95.04989	1.3
97.02894	4.6
99.04473	1.4
103.05472	2.9
105.03459	1.0
105.07043	6.2
106.04157	1.4
107.04968	17.4
109.02876	2.4
115.05460	5.3
117.07022	1.4
118.04129	0.9
119.04937	0.9
119.08611	2.7
121.06509	1.3
123.04448	6.3
124.05248	3.8
125.05936	1.1
127.03919	2.6
128.06244	2.4
129.07010	5.7
131.04947	4.5
131.08740	1.0
132.05727	3.5
133.06500	6.9
134.03679	0.8
137.05984	6.6
138.14392	0.7
140.04524	0.7
141.06976	1.9
143.05972	1.0
145.04958	1.6
145.06454	1.6
147.04422	2.0
147.08070	3.5
149.06012	1.1
151.03941	2.0
151.07613	1.0
152.04710	2.9
153.05438	1.7
155.04848	1.1
159.08084	5.2
160.05191	2.9
161.05991	9.6
162.06638	0.8
163.07515	1.0
165.05469	1.1
167.07047	100.0
168.05597	1.2
169.06500	2.0
171.08015	1.8
175.07558	40.6
176.04729	1.3
177.05475	1.8
178.07829	1.2
179.07060	1.9
184.05182	2.1
187.07561	16.5
189.07031	1.7
189.09113	2.4
190.07748	1.0
191.07048	9.6
191.08577	1.7
193.08611	15.3
193.10287	1.2
199.07527	12.2
201.09146	2.2
202.07860	1.4
203.08583	2.3
205.10397	1.0
206.07243	1.3
207.08153	1.0
209.08171	1.0
215.08612	2.9
217.08603	1.2
218.07300	5.2
219.08133	2.2
220.08958	1.3
221.09665	2.6
231.08043	3.8
232.08894	2.1
233.09627	5.1
234.06667	2.1
235.07564	3.2
236.08226	0.9
243.08092	2.0
245.05934	1.3
246.06816	2.9
247.07568	2.5
248.08498	1.1
249.09097	4.4
250.09889	1.1
251.06837	1.2
257.06067	1.5
259.07565	2.0
260.08353	2.0
261.09082	8.0
262.10028	1.3
263.06976	2.2
265.08444	1.2
266.09222	1.1
271.07605	1.3
274.06262	2.3
275.06943	3.4
275.10208	0.7
277.08612	3.0
278.09207	3.8
279.10052	1.2
281.11646	5.7
288.07944	1.0
289.08618	5.8
290.09473	2.1
291.06689	1.2
291.10019	1.5
293.11621	4.0
294.09027	1.0
295.09656	1.1
298.61670	1.0
305.08041	0.9
306.08859	2.4
307.09698	2.2
309.11218	7.3
313.14087	1.0
321.11191	15.3
322.11987	2.6
323.09280	1.7
325.14352	1.8
326.11505	3.5
338.11295	0.9
341.13867	18.3
353.13840	29.1
355.15427	2.7
371.15054	1.4
386.02170	0.9
393.74933	0.8
518.88190	0.8
533.20557	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
53.03933	0.5
55.01873	0.3
57.03444	0.3
61.02921	0.6
65.03925	0.5
66.04714	0.3
67.05494	0.2
69.03431	2.4
70.87399	0.4
70.87740	0.2
71.04997	0.3
73.02913	0.5
79.05508	1.1
81.03396	0.9
81.07047	0.3
85.02432	0.3
85.02908	3.1
87.04470	0.4
91.05480	0.7
94.04184	2.3
95.04937	0.4
97.02879	1.3
99.04419	0.3
107.04955	0.6
109.02874	0.4
109.06525	0.5
114.07510	0.2
115.05486	0.3
117.06991	0.2
121.06471	0.2
122.03652	6.5
127.03917	0.6
128.06247	0.2
131.04936	0.4
131.08594	0.2
135.04483	0.2
136.05251	0.2
137.05980	100.0
138.06387	0.2
139.07526	0.2
143.04916	1.3
144.05724	0.5
145.05013	0.3
145.06465	0.6
146.03632	0.2
147.04475	0.3
151.03932	2.6
151.04994	0.3
151.07547	11.8
155.07071	0.4
158.07231	1.5
159.08046	0.4
160.08827	0.4
161.05968	0.3
163.07617	0.2
165.05478	13.5
167.06992	0.3
174.06761	1.7
175.07533	0.6
177.09163	0.4
189.07410	0.2
189.09106	4.9
189.10771	0.3
191.10701	0.6
191.14334	0.4
193.18280	0.2
203.07042	0.3
205.08609	0.7
217.08636	1.0
219.10165	2.5
227.04611	0.2
296.10376	0.2
308.10626	0.2
326.11514	0.3
341.13843	11.5
353.13699	0.2
371.14908	7.8
405.68695	0.2
448.62891	0.2
455.60080	0.2
503.19235	0.7
533.20178	43.8
534.20398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.0
53.03949	1.4
55.01870	1.5
57.03424	1.4
61.02921	2.1
64.19116	0.8
66.57520	0.9
69.03444	6.6
69.47783	5.9
69.48180	1.3
72.80595	0.8
73.02921	1.3
78.04704	2.1
79.05492	8.7
81.03415	3.8
81.07080	1.0
85.02907	14.5
87.53259	0.8
91.05487	3.5
91.40257	0.9
97.02896	4.0
99.04438	1.3
103.05473	2.5
105.03400	1.2
105.07056	5.3
106.04227	1.7
107.04301	1.6
107.04966	17.1
109.02912	2.5
115.05469	3.7
117.06992	1.5
118.04173	1.3
119.08557	3.0
122.03667	2.3
123.04430	5.6
124.05236	4.3
125.06068	1.0
127.03926	2.9
128.06227	3.4
129.07005	5.6
131.04930	4.2
132.05713	2.3
133.06537	6.2
133.10101	1.3
137.04926	1.2
137.05991	22.8
143.06038	1.6
144.05716	1.2
145.04961	1.5
145.06418	1.1
146.07500	1.1
147.08044	3.9
149.05952	1.0
151.03943	1.5
151.07532	3.1
152.04662	3.0
153.05434	1.4
155.07066	1.0
159.08073	5.6
160.05197	1.5
161.05995	8.7
165.05476	3.1
167.07051	100.0
168.05696	1.1
169.06407	0.9
171.08046	2.4
172.05223	1.5
175.07567	42.9
176.04732	1.6
178.07753	1.6
179.06932	1.5
184.05208	1.3
187.07538	13.9
189.06844	1.6
189.09067	3.2
190.07715	1.8
191.07037	11.0
191.08586	1.4
193.08612	16.4
193.10286	1.7
199.07539	14.0
201.09117	2.8
202.07838	2.1
203.08522	2.0
207.08031	1.1
209.08018	1.7
215.08636	2.9
217.08595	1.2
218.07257	3.7
219.08061	2.3
221.09653	2.5
231.08055	2.5
232.08791	2.5
233.09607	5.0
235.07478	1.1
243.08231	1.3
246.06743	2.9
247.07622	1.8
248.08450	1.2
249.09155	4.3
250.09795	1.7
259.07663	1.5
260.08328	2.1
261.09149	6.4
263.07153	2.0
263.10654	1.2
270.95468	0.9
273.09341	1.2
274.06110	1.7
275.10437	1.2
277.08612	3.4
278.09421	2.8
281.11771	5.8
288.07938	1.0
289.08612	6.0
290.09198	1.3
291.10193	1.3
293.08383	1.0
293.11575	2.3
295.09601	1.0
296.35880	0.9
305.08063	1.3
306.08881	1.6
307.09567	2.5
309.11295	6.1
321.11191	13.3
322.11835	2.6
325.14420	1.9
326.11517	2.2
338.11444	2.0
341.13873	26.3
353.13867	23.7
355.15341	2.2
371.14749	1.8
533.20123	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	533.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01873	2.6
57.03441	2.1
61.02923	2.4
69.03441	9.0
71.05000	1.5
71.51561	1.3
73.02889	1.3
78.04725	2.2
79.05489	10.0
81.03419	4.8
81.07054	3.4
83.01326	1.2
85.02905	21.5
91.05478	8.8
95.04976	3.0
95.08607	1.4
97.02896	9.0
97.06549	1.2
99.04449	1.4
102.06795	1.5
103.05451	2.9
103.81772	1.1
105.07041	9.4
106.04195	1.9
107.04972	17.3
109.02884	2.6
109.06512	1.3
115.05489	5.6
117.07018	1.9
119.04936	4.5
119.08581	3.8
121.06532	1.1
123.04434	4.1
124.05224	4.0
127.03901	4.2
128.06226	3.4
129.07007	7.4
131.04933	5.3
131.08591	1.3
131.86630	1.1
132.05704	3.8
133.06514	6.0
135.08047	1.6
137.05971	10.2
141.07001	2.2
144.05743	1.7
145.04993	3.6
145.06471	1.7
147.04422	15.9
147.08035	3.4
151.07558	1.9
152.04704	2.0
153.05499	1.7
156.05768	1.6
159.08075	5.0
160.05211	2.1
161.05983	8.6
163.07471	1.6
165.05469	1.5
167.07051	100.0
169.06554	2.3
171.08073	2.1
175.07570	39.6
177.05496	1.8
178.07787	1.5
184.05244	1.7
184.42249	1.2
187.07552	16.4
189.09064	2.1
190.07771	1.7
191.07016	9.0
191.08493	1.4
191.14346	5.6
192.07671	1.4
193.08655	17.1
199.07590	11.0
201.09117	3.0
202.07761	1.5
203.08574	3.4
205.06613	1.4
205.10219	2.1
206.07173	1.9
207.07986	1.2
209.08162	1.7
215.08600	2.2
218.07285	4.9
219.08047	2.7
221.09679	3.7
231.08063	4.0
232.08980	1.7
233.06143	1.2
233.09587	4.7
234.06831	1.9
235.07635	3.3
237.09175	1.5
246.06725	3.1
247.07607	2.5
249.09155	5.2
250.09859	2.4
251.07016	2.0
260.08350	1.9
261.09137	7.4
262.10004	2.3
263.07074	3.0
263.10464	1.4
274.06244	2.1
276.07831	2.2
277.08716	3.4
278.09412	3.3
278.86719	1.3
279.10077	1.4
281.11734	5.5
289.08640	8.6
290.09409	2.0
291.10107	2.9
293.11844	3.1
295.09814	1.8
306.08755	3.6
307.09790	3.0
309.11261	6.3
321.11237	16.1
323.09097	1.6
325.14285	2.0
326.11417	2.6
341.13834	22.7
353.13904	24.3
355.15488	2.1
371.14938	1.7
395.09689	3.3
474.15936	1.2
533.19788	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	533.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01869	1.7
55.05500	0.9
55.48779	0.9
61.02920	2.4
69.03436	7.5
69.87582	3.6
72.08153	1.6
73.02939	1.1
75.63686	0.9
78.04716	2.8
79.05495	7.3
81.03415	3.9
81.07052	2.8
85.02912	16.8
86.09715	1.1
87.04430	0.9
91.05468	4.4
95.04971	1.6
97.02889	6.2
103.05479	2.3
104.06290	1.2
105.07034	7.8
106.04188	1.5
107.04971	19.2
109.02869	2.8
115.05450	4.5
117.07029	1.9
118.04138	1.0
119.04900	2.1
119.08611	3.2
121.06528	0.8
122.51467	0.9
123.04411	4.6
124.05234	5.5
127.03925	2.8
128.06230	3.5
129.06996	3.6
131.04941	4.4
132.05728	3.3
133.06509	7.4
137.06007	6.7
137.09660	1.1
141.06989	1.8
141.09108	1.1
143.05992	1.3
145.04990	1.7
145.06470	1.1
147.04282	1.3
147.08083	3.9
151.03914	1.8
152.04707	2.9
153.05527	1.9
155.04922	1.1
159.08101	4.8
160.05225	3.2
161.06017	9.6
163.07629	1.1
164.07089	3.3
167.07056	100.0
169.06488	1.1
171.08076	3.3
173.06104	1.2
175.06052	1.9
175.07570	36.8
176.04688	1.1
177.05545	1.4
178.07639	1.1
179.07083	1.1
184.05176	1.8
187.07541	14.8
189.07002	1.2
189.09160	2.1
190.07870	1.7
191.07068	10.5
191.08601	1.6
191.14314	1.8
193.08629	15.2
193.10289	1.3
199.07570	13.4
201.09172	3.0
202.07758	2.0
203.08559	4.4
205.06441	1.3
205.10205	1.3
206.07243	1.0
207.08035	1.9
209.08102	1.1
209.15363	1.6
215.08594	2.6
218.07263	4.1
219.08098	2.3
221.09595	2.4
231.08080	3.0
232.08858	2.2
233.09668	4.0
234.06752	1.9
235.07520	2.8
243.08122	1.1
246.06793	3.7
247.07581	2.3
248.08385	1.8
249.09140	5.8
250.09778	1.8
251.07127	1.7
252.32272	1.1
259.07446	1.6
260.08322	1.6
261.09158	7.5
262.06378	1.1
263.07196	2.7
265.08679	1.3
274.06259	1.1
275.07059	1.6
276.07919	0.9
277.08466	4.5
278.09460	2.5
279.06540	0.9
279.09778	0.9
281.11707	4.7
289.08612	7.8
290.09341	2.7
291.06805	1.4
291.10233	2.8
292.07498	0.8
293.08392	1.0
293.11694	3.7
294.08972	1.3
295.09647	1.8
303.09836	1.0
306.08871	2.9
307.09567	2.3
309.11206	6.8
321.11261	13.7
322.11972	2.8
323.09454	1.3
325.14227	2.2
326.11545	2.2
331.20245	1.4
341.13824	21.7
353.10233	0.8
353.13852	22.6
355.15314	1.8
389.94070	1.1
485.14874	1.6
515.15424	1.5
533.21332	1.4
533.29736	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	533.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01873	2.7
55.05499	1.1
57.03439	7.8
61.02933	8.8
67.05519	1.4
69.03438	28.3
69.07072	7.0
69.37316	5.5
69.37743	1.5
71.04987	3.4
73.02926	3.7
73.60535	0.8
79.05508	2.3
81.03424	11.5
81.07069	2.4
83.01344	1.0
83.08617	1.6
85.02913	85.5
87.04472	3.9
87.33880	0.8
91.03960	4.0
91.05480	2.5
93.07022	2.1
95.04958	5.7
95.08631	4.3
97.02901	27.9
97.06547	3.2
99.04457	4.7
103.03933	1.0
105.07041	4.0
107.04967	1.5
107.08599	5.9
108.02097	0.8
109.02885	9.7
109.06498	4.4
109.10184	1.1
115.03966	1.0
119.08599	2.7
121.06539	3.0
121.10166	2.9
122.07278	4.2
123.08077	16.0
123.08955	1.0
127.03927	25.8
127.04828	1.6
131.08607	2.4
133.10139	4.9
135.08069	24.6
135.11731	3.0
137.05963	6.5
137.09656	2.0
145.04970	33.3
147.11716	2.6
149.13335	1.8
151.07585	3.0
163.06059	6.6
163.14865	1.6
165.12761	16.1
171.06587	2.1
173.13361	1.7
175.14868	4.3
176.11946	5.3
189.07619	4.4
189.09143	1.0
191.14322	100.0
193.15901	13.8
207.13824	2.6
209.15381	14.1
209.17343	0.9
270.72153	1.0
297.07510	2.0
303.48849	0.9
307.10013	1.2
325.78561	0.9
353.19791	3.7
371.20679	12.6
498.30780	0.9
533.19574	2.1
533.26086	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	534.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.6
56.05044	7.3
57.03444	1.5
69.03444	1.0
69.66010	2.0
70.06608	1.8
74.06087	100.0
80.90759	0.4
81.03416	2.0
84.04517	3.6
85.02918	1.9
86.06074	1.6
91.05515	2.3
93.07046	0.5
95.05006	0.4
97.02911	1.3
98.05435	0.7
98.06066	12.6
99.04466	0.6
102.05556	6.3
103.05464	0.6
108.77805	0.4
109.02892	5.6
114.05526	0.6
116.07104	49.7
119.04957	3.8
120.06588	20.0
121.06497	1.8
127.03924	1.8
137.06000	0.7
144.06573	71.4
145.05020	1.9
147.04422	3.4
149.06003	1.0
152.07068	0.5
162.07635	12.2
163.03906	0.5
164.07095	1.0
165.05487	1.2
173.85394	0.3
182.08182	0.9
193.04932	1.9
209.04451	1.0
210.07680	0.9
211.06294	0.4
216.08720	0.5
222.29439	0.3
228.08708	2.7
234.09665	0.9
240.08687	1.5
246.09749	3.1
252.08734	0.9
264.10797	1.7
270.09756	17.3
288.10812	15.0
306.11841	8.5
462.14209	0.8
480.15201	0.4
498.16095	1.1
516.17065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82095	3.1
53.03950	4.0
55.05508	5.5
67.05495	8.3
69.03427	7.0
69.31683	24.6
71.04978	4.1
73.10731	3.1
79.05477	4.2
81.03407	12.5
81.07059	34.1
85.02895	13.9
85.06539	3.4
91.05469	10.8
93.07037	4.9
93.86900	3.8
95.04964	4.1
95.08608	9.7
97.02877	8.0
97.06447	3.5
97.10162	4.4
99.04464	4.3
105.07004	3.9
107.08590	5.4
109.02864	14.5
109.10130	4.6
117.07092	3.9
117.19209	4.3
119.04933	22.5
120.05257	11.1
121.06483	5.5
123.11713	32.8
127.03946	17.5
133.10164	6.4
135.92491	3.2
137.05972	11.9
147.04411	100.0
148.04736	50.2
151.11171	9.5
164.14642	3.4
165.05452	5.9
165.90584	3.2
169.12230	41.3
187.13319	21.9
187.14740	3.9
191.14302	6.5
192.14661	5.5
229.14276	6.9
251.16393	4.8
265.11267	3.3
277.14307	6.2
295.15448	19.1
304.03244	3.7
313.16412	10.7
331.17526	61.7
395.09665	5.7
396.09985	13.1
534.32880	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	534.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.05271	1.9
55.05515	19.4
57.03436	6.9
57.07077	12.4
61.02927	4.7
65.03920	2.0
67.05508	85.7
67.28880	1.4
67.31122	1.2
69.07069	28.0
69.21767	1.2
70.11941	5.4
71.05000	1.9
71.08637	8.0
73.02921	1.5
79.05495	19.7
81.07061	91.6
83.05008	2.2
83.08624	20.4
85.02908	5.1
85.06561	3.5
85.10181	2.3
86.09709	3.5
91.03955	3.2
91.05489	18.6
93.07044	27.0
95.04976	1.5
95.08614	76.4
97.02905	2.9
97.06534	8.8
97.10171	14.0
99.08103	4.0
104.10735	9.1
105.07030	12.7
107.08604	19.1
109.10162	43.0
111.08105	5.8
111.11727	4.5
113.09636	3.1
119.08596	15.5
121.10143	23.7
121.10935	2.0
123.08119	1.9
123.11714	21.2
125.00014	2.1
125.09657	2.2
127.11167	2.4
133.10143	20.9
135.11693	14.4
136.56119	1.5
137.09625	3.3
137.13264	8.2
141.12767	3.4
143.66922	1.4
147.11700	8.5
149.13283	11.9
151.14854	6.7
155.14337	4.3
155.15608	1.3
161.13260	16.1
163.14824	14.2
165.16400	8.8
167.14388	1.5
175.14845	11.7
177.16409	2.8
179.14348	2.8
179.18001	6.5
181.15874	1.9
184.07469	3.2
189.16396	7.3
203.17998	3.0
217.19560	2.0
245.22662	69.7
263.23712	100.0
337.27380	64.9
355.28427	7.3
499.32562	3.1
534.35864	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1088
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03946	1.8
54.57220	0.3
55.01879	1.4
57.03426	1.1
61.02921	1.2
64.45912	0.3
67.05512	0.3
68.99806	1.4
69.03435	5.7
71.01328	0.3
71.05000	1.3
73.02939	1.4
79.05492	0.3
81.03424	7.1
81.07037	0.3
85.02911	11.1
87.00832	4.5
91.03969	0.5
93.07047	0.6
95.08592	0.3
97.02908	4.3
98.20697	0.4
99.04467	2.6
105.01886	2.5
105.03397	0.3
107.04945	0.3
107.08577	0.3
109.02889	6.1
111.00794	0.8
115.20947	0.3
117.01870	0.8
119.08549	0.5
121.02858	2.2
121.10206	0.3
127.03926	8.7
128.51028	0.3
129.01855	0.7
131.05000	0.3
131.08549	0.3
133.02896	0.5
137.02367	0.7
137.05986	2.9
138.06320	0.7
139.06534	0.4
145.04959	2.7
145.06126	0.3
145.06474	0.2
145.10028	0.3
147.02911	0.3
147.04420	0.7
151.03880	0.5
151.07585	0.3
151.28421	0.3
153.01848	3.4
157.06458	0.5
159.02892	4.1
165.01886	1.5
165.05499	0.4
177.03934	0.3
181.04799	0.3
181.38556	0.2
183.02914	0.9
185.05936	0.4
190.09496	0.3
203.07076	0.4
213.05501	1.2
229.43095	0.3
231.04970	0.9
231.06921	0.3
241.05025	0.7
258.05273	0.7
259.05951	0.5
260.88440	0.3
287.05518	100.0
288.05881	0.7
329.06421	0.4
357.29297	0.3
535.20172	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.7
53.25270	1.6
55.01885	3.0
55.05511	6.1
57.03440	8.0
59.05019	2.8
67.05507	5.3
69.03439	23.3
69.07068	3.6
70.06596	3.7
71.05010	3.5
71.05599	3.9
72.06915	1.8
74.98978	2.0
79.05494	5.0
81.03452	2.5
81.07070	10.7
83.04989	7.0
83.08607	2.5
85.02920	30.8
85.06567	6.3
85.45044	1.6
87.04487	13.1
91.05486	3.9
93.07059	9.8
95.04972	7.3
95.08617	7.4
97.02901	21.4
97.06526	5.7
99.04459	5.0
101.76296	1.9
105.01922	2.5
105.07020	11.2
107.08601	11.9
109.02895	2.0
109.06513	13.3
109.10174	8.3
111.08078	5.6
115.03934	21.1
119.08591	12.5
121.06501	2.8
121.10174	15.2
123.08103	4.3
123.11723	11.5
125.09711	3.3
127.03948	3.1
131.08582	4.7
133.04973	14.1
133.06503	2.2
133.10132	6.2
135.08067	2.9
135.11736	2.4
137.06003	12.7
137.09625	26.8
138.06352	3.5
145.10115	4.3
147.04428	2.1
147.08000	2.5
147.11710	18.4
149.09647	7.3
151.03900	4.1
151.07565	4.1
159.10217	1.8
159.11636	3.0
161.13341	9.9
163.03888	2.1
163.11220	4.7
165.12772	93.6
167.10658	3.3
179.14362	8.2
189.12740	18.6
207.13835	100.0
217.15936	3.9
225.14886	2.3
235.17024	4.8
346.87057	1.9
374.13348	2.5
482.20630	2.4
511.34421	2.0
536.21124	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	537.1968
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
50.44883	0.6
52.96492	0.6
53.03936	1.9
54.04271	0.6
55.01862	2.6
56.02848	0.6
57.03437	0.6
65.03936	1.8
66.22631	0.7
67.05503	1.3
69.03426	2.7
70.98043	1.4
71.04996	0.9
79.05481	0.8
81.03421	10.6
81.07063	0.7
85.02912	4.6
91.05495	2.2
93.03416	1.4
94.04211	1.3
95.04973	2.0
97.02881	1.6
97.62592	0.7
105.07030	1.1
106.60331	0.6
107.04954	1.3
108.02088	1.5
109.02826	0.8
109.06525	2.0
111.04442	1.2
115.05461	2.5
117.07034	1.2
119.04934	1.2
119.08631	1.0
122.03633	2.5
125.05992	1.7
127.03928	2.0
128.06233	2.5
129.07016	10.7
131.04938	2.3
133.06502	0.9
133.10167	0.8
137.05988	62.8
141.05498	2.4
143.04926	4.2
145.05005	0.8
145.06503	1.9
147.04384	1.1
147.08064	2.5
149.05957	0.8
151.03920	100.0
151.05025	9.1
153.05457	3.9
155.04936	1.0
157.06502	13.3
159.08049	0.7
160.05208	2.2
161.06012	2.8
161.09628	2.3
163.03928	1.3
165.05493	3.8
167.07074	0.6
171.04428	4.2
172.05215	1.2
174.06822	2.1
175.07573	6.7
176.04765	1.4
177.09125	1.5
179.07047	0.6
187.07576	2.3
188.04666	1.4
189.05482	0.8
189.09100	12.3
191.07043	8.5
191.08603	0.8
193.08632	0.6
203.07045	38.5
205.08580	9.2
211.09760	1.6
215.07065	2.4
218.07191	0.8
219.08084	2.2
221.08098	8.1
233.08087	13.8
235.07622	1.3
242.32442	0.7
243.06616	1.0
246.06766	0.9
247.07515	2.2
251.09012	0.9
261.09137	1.7
263.07065	1.3
264.07895	1.8
265.08658	1.1
267.10202	0.8
271.06015	1.4
272.10663	0.9
276.07373	0.7
277.08752	1.6
279.10229	4.3
285.07657	1.5
286.08450	3.0
289.08627	1.7
295.09558	2.9
297.11279	0.9
306.08936	1.3
307.09534	4.4
309.11111	1.1
311.12747	1.4
312.09970	1.2
321.11240	4.7
323.69522	0.7
327.12326	11.4
339.12289	11.5
345.13354	2.1
357.13364	35.0
358.77783	0.7
374.04324	0.6
375.14417	23.3
541.07800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.197
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
53.03946	1.2
55.01875	1.6
65.03937	1.9
66.04693	0.6
67.05508	1.3
69.03427	2.2
70.06591	1.1
70.85278	1.6
70.85632	1.2
75.70199	0.6
81.03426	26.5
81.07041	1.1
84.04518	0.8
85.02913	3.9
91.05476	1.9
93.03419	1.6
94.04173	1.4
95.04989	1.9
95.76125	0.6
97.02899	1.5
103.05508	1.8
107.04973	1.2
108.02126	1.5
109.02908	0.9
109.06523	1.6
109.10191	0.8
111.04467	1.2
115.05466	2.1
117.07011	1.4
119.08643	0.8
121.06486	0.7
122.03642	3.6
125.05993	1.9
127.03953	1.0
128.06235	2.7
129.07033	12.0
131.04961	2.1
131.26195	0.7
133.06523	1.1
134.21791	0.7
135.04434	0.7
137.05989	82.4
141.05476	2.0
143.04935	4.7
145.06522	2.7
147.04454	1.3
147.08037	2.1
151.03923	100.0
151.05035	8.5
153.05476	4.0
157.06509	12.9
159.08075	0.9
160.05299	1.4
161.05998	2.9
161.09598	1.8
163.03967	0.9
163.07518	1.0
164.07034	1.3
165.05537	3.7
171.04411	4.7
172.05226	0.9
174.06778	1.3
175.07570	6.0
176.04707	1.4
177.05528	1.2
177.09140	0.7
181.04997	0.7
183.04311	0.8
187.07527	1.9
188.04790	1.7
189.05486	1.8
189.09120	11.9
191.07053	7.9
203.07053	32.2
205.08615	19.8
215.07088	2.6
219.08295	1.4
221.08121	7.0
233.08078	16.2
235.07599	1.4
243.06691	1.4
247.07626	1.5
249.09140	1.0
251.09201	2.1
261.09106	2.0
263.07083	0.9
264.07867	0.8
265.08582	1.0
271.05978	1.5
275.06870	0.7
277.08591	1.6
278.09338	1.2
279.10291	2.8
285.07758	1.5
286.08417	6.5
289.08664	1.5
295.09705	2.0
296.10287	0.6
297.11343	0.8
306.09036	1.6
307.09680	5.1
309.11179	1.8
311.12704	1.8
312.09857	1.0
321.11234	4.6
327.12341	10.4
339.12296	12.4
345.13495	3.0
357.13361	37.9
375.14432	24.5
457.74585	0.8
550.77612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47633	0.5
53.80594	0.5
65.03920	0.6
66.04721	0.7
67.05499	0.9
69.03436	1.2
79.05486	1.9
80.29288	0.5
81.03380	1.3
81.07050	1.3
84.53128	0.5
85.02924	0.9
90.05101	0.6
91.05478	3.9
93.03423	0.6
93.07042	1.9
94.04186	2.7
95.04961	1.6
95.08587	1.0
103.05468	3.4
105.07033	1.4
107.04951	2.0
107.08583	1.2
109.02872	0.6
109.06520	3.4
109.10180	0.7
111.04413	0.8
113.81429	0.5
115.05451	1.1
119.04964	2.7
119.08578	0.7
121.06509	0.8
121.10141	0.9
122.03656	6.8
122.25597	0.6
123.04410	0.8
123.08071	0.6
125.05982	1.0
127.03891	1.1
129.07054	0.8
131.04938	7.5
133.06590	0.6
135.04436	1.2
137.05980	100.0
138.06325	0.7
143.08603	0.7
144.05704	0.6
145.06516	1.3
146.03587	1.0
147.04436	0.8
147.07993	0.5
149.05981	2.2
151.03938	1.2
151.07547	8.5
153.05498	2.0
157.06462	0.9
159.04436	0.7
159.08051	3.1
160.05223	0.6
161.05983	11.7
163.03844	0.7
163.07564	5.1
164.95093	0.5
165.05528	1.4
165.06973	0.9
167.07063	2.0
167.08372	1.0
173.09694	0.6
174.06735	0.9
175.07558	11.7
177.05566	0.7
177.09187	1.2
179.07086	0.6
181.08643	0.7
182.07195	0.7
187.07536	15.1
189.09146	1.6
191.07059	1.5
193.06483	1.3
195.08096	1.6
199.07539	2.4
201.09114	1.3
203.07065	0.8
210.06790	0.7
211.07526	0.9
213.09157	0.9
215.07014	1.1
219.08273	1.1
221.05969	2.1
223.07593	1.2
225.09158	2.3
227.10754	1.5
229.08664	1.3
229.49005	0.6
233.08087	1.0
237.09172	0.8
241.08633	0.9
247.09644	5.8
251.10718	1.3
253.08611	3.2
255.10216	2.0
259.09625	0.9
265.08368	0.6
267.10147	1.3
271.09891	0.6
277.09027	0.5
279.10184	1.1
285.11246	8.4
287.13016	3.8
297.11282	1.1
305.11774	0.7
309.11191	0.7
310.11774	0.7
311.12744	1.1
314.15240	0.6
314.68613	0.6
315.10150	1.6
323.12714	0.6
332.10416	0.7
333.11047	0.9
337.14316	3.4
347.12839	3.6
355.15231	2.2
365.13870	17.1
371.14893	1.9
377.14026	0.7
383.14868	19.3
395.14661	1.3
457.16229	0.8
461.19699	1.2
471.17755	1.3
489.18964	5.4
501.26443	0.6
507.20135	5.2
519.20288	1.1
537.21283	0.7
545.91766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51794	1.1
65.03939	1.5
67.05491	1.1
69.39766	2.4
69.40169	5.5
71.87310	1.0
79.05486	2.8
81.07053	1.5
91.05493	5.7
93.07040	1.8
93.33689	1.1
94.04173	3.4
103.05479	3.4
105.07044	1.8
107.04950	1.7
107.08559	1.3
109.06529	3.3
112.13916	1.1
117.07049	1.6
119.04903	3.2
121.06533	1.6
122.03647	8.5
129.07014	2.4
131.04930	3.4
137.05986	100.0
143.04916	3.2
144.05698	1.5
145.06519	1.3
146.03583	1.3
147.04411	3.3
149.05974	3.5
151.03894	4.6
151.07582	6.0
157.06496	2.9
158.07274	1.2
159.07944	1.6
159.67873	1.1
160.05165	3.5
161.05988	13.7
163.07520	1.3
165.05489	1.5
167.07019	2.8
170.94345	1.1
171.07999	1.3
173.09549	1.2
173.29065	1.2
174.06761	2.1
175.07558	14.6
177.05466	2.2
179.07048	3.5
183.08102	1.2
184.05209	2.3
185.05977	1.5
185.09624	1.8
185.97160	1.1
187.07600	9.0
189.07198	1.5
189.09082	4.1
191.07117	5.5
195.08159	1.3
197.05965	1.3
198.06775	2.4
198.96072	1.3
199.07529	6.8
206.07289	1.4
210.06700	1.5
211.07570	5.7
213.09106	4.7
213.11110	1.1
217.08530	2.6
219.08125	1.3
222.06789	1.8
225.09187	1.9
226.06284	2.6
227.06940	1.6
229.08589	3.3
232.08740	1.7
232.20689	1.2
235.07552	2.2
239.06944	1.9
241.08626	7.3
244.08841	1.7
245.09628	1.7
248.08499	2.1
251.07066	3.0
253.08522	2.3
255.10292	1.5
259.07361	1.3
261.09052	3.5
263.06961	2.0
263.10724	1.9
264.07779	3.1
265.08575	2.6
269.07971	1.9
270.08881	2.4
271.09760	1.2
272.08383	2.6
273.09131	2.1
275.10712	2.8
277.08582	3.9
278.09372	2.4
279.06635	2.6
279.09933	1.5
280.07227	3.5
283.09753	3.0
284.08295	1.6
285.08682	1.6
285.11459	2.1
287.06985	1.4
287.10580	2.8
289.08466	2.7
291.10254	3.2
292.07111	1.9
294.08932	6.1
295.09747	7.2
300.07816	2.4
301.08517	2.8
303.10175	3.4
305.08295	1.4
305.11548	1.6
307.09610	5.0
309.11572	1.9
313.10995	1.5
315.09811	6.8
316.10947	1.8
317.08173	1.4
317.11591	1.8
320.10434	3.2
321.11224	7.0
323.12750	4.1
325.10666	2.3
331.09653	1.6
332.10413	4.2
333.11365	2.0
334.11743	1.5
335.12936	8.4
337.10608	2.0
339.12119	1.5
341.08102	1.4
343.10016	1.5
345.11176	1.3
347.08969	1.8
347.12842	13.0
353.13821	2.0
355.09598	1.8
356.10352	1.8
359.12949	1.5
365.13953	21.5
371.08984	1.3
377.13998	6.2
383.09058	1.8
383.14758	1.5
384.09705	1.5
386.11298	2.0
387.12271	2.3
389.90897	1.3
395.14862	12.1
399.12460	2.7
414.10959	2.1
415.11926	5.5
417.13348	2.5
418.14166	8.5
429.13235	5.6
430.14053	4.1
431.15002	1.5
433.12888	1.3
448.15198	52.5
449.15955	5.0
457.16364	1.7
461.15710	5.9
471.17926	2.1
483.17712	1.7
489.18848	3.5
491.98260	1.5
501.19156	14.1
519.20172	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	537.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01859	1.5
55.05516	0.9
57.68944	0.6
66.04710	1.4
67.05478	1.1
69.03421	1.6
69.83582	2.5
71.05026	0.7
79.05479	2.1
81.03427	1.4
81.07063	3.4
81.25983	0.7
82.06665	0.7
85.02901	1.7
91.05491	6.1
93.07058	3.3
94.04185	3.8
94.07396	1.3
95.04990	1.5
95.08617	1.9
97.06548	0.8
98.20923	1.0
103.05476	2.5
105.07010	2.7
107.04951	1.1
107.08593	1.7
109.02932	1.3
109.06514	2.6
109.10191	1.1
111.08099	2.8
112.08414	1.3
114.46313	0.7
115.05451	1.2
117.07002	1.0
119.04958	2.3
119.08575	1.8
121.06480	0.8
121.10110	1.0
122.03653	8.4
125.06001	0.8
127.03961	1.5
129.06972	2.0
131.04936	2.9
131.08546	0.9
133.06488	1.1
135.04430	0.7
137.05984	100.0
144.05594	0.9
145.10110	1.1
147.04366	1.6
149.06004	2.1
151.03915	2.0
151.07558	7.8
157.06535	1.1
157.10075	0.7
158.07257	0.7
159.08038	0.9
159.11760	0.7
159.42676	0.6
161.06039	4.3
163.03856	0.9
163.07555	2.6
165.06931	1.3
167.07021	2.3
167.08394	0.8
171.08138	0.7
172.05196	1.2
173.05962	1.0
175.07506	4.0
177.05406	0.7
179.07109	1.1
181.06444	0.8
185.09724	0.8
187.07573	5.3
189.09087	1.8
196.05243	0.8
199.07568	7.9
201.09035	1.3
203.08615	1.0
206.07370	0.8
211.07585	3.3
213.09109	2.2
217.08594	2.0
219.08115	1.2
223.07481	0.9
229.08513	3.1
231.08057	0.8
232.08855	1.0
233.09756	1.3
234.06741	0.7
235.07378	0.9
241.08640	1.9
243.07939	0.8
245.09711	0.9
246.06772	0.6
249.09125	1.3
253.08607	1.2
255.08119	1.5
257.09665	1.3
259.07425	0.9
259.09756	2.1
260.08469	0.8
261.09213	2.1
264.07907	0.8
265.08655	2.1
266.09381	1.0
271.07629	1.6
272.08353	1.5
273.09198	0.9
275.10669	1.6
276.07983	0.9
277.08615	2.4
278.09689	0.9
283.09619	1.3
285.11505	1.1
286.09924	0.9
287.10583	1.5
289.08594	3.4
291.06744	0.7
291.10202	2.6
292.11050	1.0
293.11758	0.9
295.09653	1.0
297.11285	2.1
300.07925	1.1
301.08566	1.8
302.09268	0.9
303.10187	4.7
304.10855	0.7
305.11835	1.0
307.09750	1.8
308.10416	1.1
309.11172	3.7
314.09137	0.9
315.09891	5.0
317.08041	1.0
317.11676	2.3
318.09055	0.8
319.09760	1.3
320.10513	2.2
321.11218	5.8
323.12772	1.9
331.09186	0.7
332.10425	1.8
333.11380	3.2
334.12070	1.5
335.12863	8.2
337.14551	1.0
339.12228	1.2
345.11224	0.7
346.12079	1.0
347.12808	15.3
349.14532	0.9
353.13943	1.3
356.89612	0.8
359.12668	1.9
365.13956	8.9
377.13760	2.4
383.14917	1.1
415.11432	0.8
418.14444	1.1
419.12900	0.9
430.13910	1.1
439.15356	1.9
443.33926	0.8
448.15317	1.5
451.15460	1.2
459.18204	1.4
471.18146	4.6
483.18365	3.4
489.19284	4.2
501.19125	7.0
519.19971	4.0
537.20966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78939	1.1
55.01870	1.8
55.05499	1.5
57.03439	1.3
57.34444	1.2
67.05490	2.6
69.03412	1.6
71.04998	2.4
79.05482	4.4
81.03413	3.4
81.07053	4.8
85.02898	2.4
85.06517	1.4
91.05483	6.4
93.07037	3.1
94.04189	4.0
95.04986	2.9
95.08595	3.8
95.97652	1.2
103.05461	3.1
105.07031	5.4
107.04978	4.1
107.08608	1.7
109.02866	1.8
109.06517	4.1
109.10162	2.8
110.88857	1.2
111.04382	1.3
115.05478	2.9
117.07009	2.4
119.04914	3.3
119.08573	2.6
121.06513	3.5
121.10137	2.1
122.03645	7.7
127.03894	2.1
129.07030	3.1
131.04942	4.0
131.08536	2.8
133.10143	2.1
135.04399	1.7
135.08060	2.2
137.05984	100.0
143.04869	1.8
145.06471	1.8
147.04425	3.7
149.05997	3.6
151.03932	4.5
151.07538	9.3
153.05467	2.5
157.06439	2.1
159.08061	2.2
159.11664	1.5
160.05214	4.1
161.05981	15.0
163.03951	2.1
163.07571	2.7
165.05525	1.8
166.08655	2.2
167.07040	8.3
173.05977	2.0
175.07573	15.2
177.05458	4.1
177.09171	1.4
179.07111	2.3
181.08612	1.5
182.07332	1.5
184.05121	2.9
187.07610	6.2
189.09106	3.7
191.07014	4.6
195.08109	1.7
198.06786	3.3
199.07512	9.7
201.09073	2.5
202.07764	1.8
203.08690	1.9
207.08000	1.5
210.06693	1.5
211.07553	5.3
213.09097	4.0
219.08076	1.9
223.11064	1.3
226.06239	1.4
227.06938	1.7
229.08563	4.0
231.08086	2.2
232.08841	1.3
234.06709	1.8
235.07468	2.5
237.09015	1.5
241.08624	7.6
243.08076	1.7
247.07491	2.3
249.09158	1.7
251.07091	1.7
253.08600	1.8
254.09152	1.6
256.09048	1.7
259.09659	1.8
260.08316	1.6
261.09183	4.1
262.09677	1.4
263.06848	2.9
263.10788	2.1
264.07779	2.0
265.08582	4.5
266.09134	1.8
269.08194	2.8
270.08896	3.6
271.07376	1.8
272.08368	3.5
273.09137	2.4
275.10715	2.9
277.08585	4.6
278.09546	2.5
279.06409	2.2
280.07236	2.0
281.08386	1.4
283.09741	3.1
285.11249	3.5
287.06894	1.6
287.10745	3.3
289.08588	4.2
291.10187	3.8
293.11877	3.0
294.08881	6.1
295.09833	6.8
297.11337	2.1
300.07813	2.1
301.08548	3.5
303.10074	4.1
305.11639	1.6
307.09613	7.7
309.11319	3.7
315.09903	6.4
316.10828	2.2
317.11441	2.1
320.10449	3.1
321.11157	7.4
323.12808	4.1
325.10904	2.3
331.09802	2.1
332.10361	3.9
333.11401	2.5
334.12164	1.7
335.12881	8.7
337.10660	1.6
337.14490	1.8
339.12152	2.9
344.10529	2.2
347.12860	17.4
353.32819	1.5
365.13852	23.2
371.08890	2.0
377.13840	7.6
383.09164	1.7
383.14963	2.8
385.10587	3.4
387.12112	4.1
395.14957	12.8
399.12183	1.8
414.11151	2.5
415.11765	5.6
417.13135	2.9
418.14047	8.5
429.13318	4.4
430.14032	5.5
433.12939	1.4
448.15170	45.9
449.16003	6.1
461.15640	2.8
489.19101	2.7
501.19101	16.8
506.19415	2.6
519.20282	17.4
519.27441	2.6
537.20508	2.1
547.09491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48570	1.7
53.03942	5.8
55.01878	3.2
55.05510	22.1
57.03429	9.4
57.07080	37.6
61.48058	1.5
62.78554	1.4
65.03936	2.0
67.05510	50.2
69.07071	15.8
69.41585	2.9
69.41992	8.1
69.82185	1.4
71.05008	2.9
71.08632	25.2
74.09760	1.5
79.05499	55.6
81.03411	6.9
81.07062	42.7
83.04995	12.0
83.08620	12.5
85.06582	1.6
85.10188	10.7
87.04459	1.4
91.05486	40.2
92.08076	1.6
93.07046	52.1
93.08403	1.5
95.04980	15.3
95.08609	35.5
96.30082	1.6
97.06553	1.9
97.10180	7.0
105.07030	31.7
107.04955	4.0
107.08588	11.6
109.06534	5.0
109.10157	8.5
111.11726	1.8
115.86320	1.7
117.07027	5.1
119.08585	18.0
121.06516	2.7
121.10132	4.5
123.08095	2.9
123.11713	4.6
127.07549	2.0
128.06276	2.3
129.07018	15.7
131.08601	1.8
133.10159	9.8
143.08571	4.9
145.10147	7.0
147.08076	2.0
147.11697	26.2
149.37762	1.4
161.09581	4.2
161.13266	9.2
171.11700	25.0
189.12778	7.3
207.13802	26.7
239.23714	3.6
257.24725	1.7
281.17493	64.6
281.29501	14.9
282.27936	47.4
299.30545	13.8
313.27365	72.9
376.76688	1.8
456.01685	1.6
519.40472	100.0
537.53424	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	537.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.8
54.54861	2.2
55.05510	19.6
57.03436	10.6
57.06833	2.7
57.07078	32.3
61.92514	2.0
65.03940	3.1
67.05505	44.5
69.07070	15.5
70.76830	5.4
71.04996	2.8
71.08639	26.2
72.60007	2.0
73.94659	2.1
74.41847	1.9
79.05074	3.6
79.05497	53.7
81.03411	5.8
81.06601	3.0
81.07058	41.6
83.05002	13.0
83.08623	14.5
85.06528	3.5
85.10180	14.5
91.05486	37.2
93.06490	3.3
93.07048	48.9
95.04969	13.9
95.08605	34.1
97.06505	2.5
97.10146	7.8
105.07035	33.1
107.04932	4.7
107.08610	14.3
109.06538	3.6
109.10198	10.2
114.03185	2.0
117.07003	6.4
119.08598	19.1
121.06528	3.6
121.10148	4.5
123.08047	4.9
123.11711	3.0
128.06206	2.8
129.07007	14.6
131.41364	2.2
133.10130	7.7
133.19305	1.9
135.11728	3.3
143.08592	7.0
143.81306	2.4
145.10107	7.8
147.11697	27.8
161.09680	3.2
161.13261	9.4
171.11694	24.6
180.55832	1.8
189.12773	9.8
207.13809	25.4
225.14816	2.8
239.23608	2.7
281.14355	2.4
281.17484	59.4
313.27377	65.5
519.40485	100.0
537.37433	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	538.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01860	0.4
57.03437	0.5
60.22998	0.3
60.28154	0.3
61.02916	1.4
69.03429	2.6
69.66736	2.2
69.67063	0.5
81.03411	1.1
82.59346	0.3
83.17158	0.4
85.02906	9.1
91.05448	0.5
94.04179	1.0
97.02896	2.4
103.05461	2.7
107.04964	0.9
109.02863	0.8
109.06483	0.5
121.06510	0.7
122.03636	3.1
127.03926	1.4
129.07002	0.4
131.04927	13.5
135.04395	0.4
137.05980	100.0
143.04892	0.3
145.04948	1.3
145.06541	0.7
147.04422	0.9
147.08064	0.4
149.06030	1.6
151.03906	0.7
151.07565	1.5
155.98221	0.3
156.98096	0.3
157.06491	0.9
161.05936	0.5
163.04056	0.4
163.07553	8.3
165.05466	2.2
175.07587	1.6
177.05385	1.7
177.08987	0.6
178.06236	0.5
179.07011	1.2
180.08633	1.0
189.09097	0.8
191.07123	0.4
203.06931	0.5
203.08580	1.5
205.08652	1.3
217.08530	0.6
223.09665	2.5
231.08052	2.9
232.08769	0.7
235.09499	0.6
248.08275	0.9
249.09091	0.6
259.07526	1.7
260.08310	0.7
263.10648	5.3
276.07797	0.7
281.11798	0.7
291.10175	9.4
292.10684	0.6
295.13364	0.7
305.11646	3.4
309.11282	1.2
323.12775	9.8
341.13840	46.1
342.14069	1.0
359.14890	37.8
360.14981	0.5
386.21155	0.3
479.92258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01868	0.4
57.03430	0.5
61.02924	0.8
65.03929	0.2
66.04727	0.2
69.03432	1.7
71.04992	0.3
71.53100	0.2
73.02915	0.2
73.70624	0.1
77.03924	0.2
79.05490	0.4
81.03417	0.9
81.07069	0.4
83.08627	0.1
85.02905	6.1
87.04500	0.2
91.03946	0.4
91.05489	0.8
94.04185	1.5
95.05006	0.2
95.08601	0.2
97.02889	2.0
99.04436	0.4
99.70131	0.1
103.05469	3.4
105.07026	0.3
107.04932	1.2
109.02891	0.6
109.06517	0.5
109.10156	0.2
117.06972	0.2
119.04977	0.7
121.06509	0.9
122.03653	4.1
125.09636	0.1
127.03907	1.0
129.06996	0.4
130.79729	0.1
131.04929	12.8
133.06496	0.3
133.10161	0.2
135.04361	0.7
135.08073	0.2
137.05975	100.0
138.06323	0.6
145.04974	1.2
145.06485	0.7
146.03670	0.3
147.04416	1.1
147.08044	0.2
148.05205	0.2
149.05989	1.4
151.03952	0.7
151.07539	1.5
157.06503	0.6
160.05205	0.3
161.06003	0.6
163.07545	6.4
165.05464	2.2
167.07175	0.2
174.06767	0.4
175.07527	1.4
177.05452	1.5
177.09122	0.4
178.06261	0.4
179.07014	1.0
180.08739	0.2
187.07585	0.3
189.09100	1.3
191.07030	0.6
193.05870	0.1
199.07605	0.2
201.09196	0.3
202.07774	0.2
203.07008	0.3
203.08609	1.7
205.08578	0.5
215.51494	0.1
217.08560	0.4
220.08714	0.3
221.07828	0.2
221.09644	0.5
223.09650	1.8
231.08040	3.1
232.08762	0.5
235.09630	0.5
245.09572	0.3
247.07472	0.2
248.08327	1.1
249.09140	0.5
259.07495	1.5
260.08362	0.5
262.09915	0.2
263.10690	4.0
273.09167	0.3
274.09741	0.3
276.07938	0.8
277.08621	0.3
281.11771	0.5
290.09418	0.4
291.10141	7.2
292.10944	0.3
295.13196	0.7
305.11746	2.2
308.10367	0.3
309.11221	0.8
313.14435	0.3
323.08829	0.2
323.12769	7.3
341.13828	30.8
342.14258	0.3
359.14880	26.5
360.15137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73246	0.5
51.99381	0.4
53.03922	0.8
55.01875	1.1
57.03437	0.5
57.37657	0.5
60.05751	0.5
67.05500	0.8
69.03426	2.0
71.02283	0.9
71.02617	0.7
71.04986	0.6
78.28728	0.5
79.05486	1.6
81.03426	0.9
81.07040	1.7
85.02911	4.9
91.05489	4.8
93.07056	2.1
94.04171	1.7
95.04965	1.1
97.02902	0.9
103.05475	2.3
105.07048	5.9
107.04945	1.1
107.08620	1.0
109.06525	1.4
115.03915	0.9
115.05475	2.8
117.07017	1.9
119.04963	0.8
119.08611	2.2
121.06528	1.7
121.10154	1.0
122.03651	3.7
127.03941	0.8
128.06241	1.3
129.07005	1.8
131.04935	2.2
132.05702	1.3
133.06473	3.6
133.10156	0.8
137.05989	100.0
138.06345	1.0
145.05005	0.7
145.06532	2.4
147.04445	2.7
147.08047	2.9
149.06009	5.6
151.03918	1.8
151.05042	0.6
151.07439	0.7
159.08121	1.6
160.05209	1.3
161.05989	15.3
161.13243	0.9
162.06796	2.5
163.03938	0.8
163.07587	1.5
164.07111	1.7
172.05174	0.6
173.05949	1.0
173.13235	0.5
175.07559	26.7
177.09142	0.7
178.76541	0.6
179.07047	1.5
179.08530	0.6
187.07555	7.5
189.09145	0.9
190.07826	0.6
191.08533	4.0
191.14304	1.5
193.08640	5.8
199.07591	2.0
202.07895	0.8
203.08560	2.1
205.06934	0.8
205.08578	4.2
208.08900	0.6
209.15385	1.1
217.08643	1.4
218.07303	0.8
219.08054	6.5
219.17525	0.6
220.08836	1.1
227.16481	1.3
231.07988	2.5
235.07607	1.0
236.08409	1.8
237.18724	0.6
247.07600	3.8
248.08298	1.1
248.15973	0.6
251.10701	10.2
259.07394	1.2
260.08282	0.9
261.09198	1.0
263.10663	1.7
264.07877	1.1
265.08597	1.5
268.14215	0.6
276.07809	0.7
277.08600	0.8
279.10205	8.7
280.10867	0.7
291.10175	4.8
292.11118	0.8
296.10553	1.2
308.10480	0.9
309.11285	1.1
311.12781	28.3
312.46973	0.6
323.12808	11.2
323.16266	0.5
329.13766	5.3
330.23602	0.7
341.13892	9.1
359.14844	1.2
412.48563	0.5
457.30490	2.6
475.31320	7.0
538.22736	1.9
538.30890	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	538.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
54.82984	0.7
55.01860	0.8
57.66037	0.8
61.02913	1.0
63.36944	0.7
66.18356	0.8
66.92011	0.7
69.03413	2.3
70.55058	1.9
70.55400	1.0
77.16827	0.7
79.05492	1.8
81.03423	2.1
81.07043	0.9
85.02909	5.1
91.05478	4.7
93.07049	1.5
95.04967	1.2
95.08603	0.9
97.02879	2.5
99.04503	1.0
103.05477	12.0
105.07031	1.2
107.04930	2.3
107.08586	0.8
109.02866	1.4
115.05425	1.2
117.07008	2.7
119.04938	3.5
120.08138	1.4
120.50507	0.8
121.06527	2.0
122.03609	1.1
123.08047	1.2
127.03863	1.0
128.06252	1.0
129.06993	2.4
131.04938	37.6
133.06516	1.3
135.04420	28.1
135.08075	2.3
137.05988	18.3
138.06303	2.4
138.09125	0.9
143.08502	0.9
145.04944	1.3
145.06451	1.4
147.04358	1.5
149.05995	23.7
151.07545	20.3
152.07861	2.7
157.06447	2.0
159.04428	4.8
161.05997	44.4
162.06648	2.6
163.07564	8.0
164.07004	0.9
165.06985	0.8
165.09077	0.9
166.08684	1.2
167.08577	4.4
171.07990	0.9
175.07553	5.9
177.09114	100.0
178.07733	0.9
187.07458	1.8
189.09071	5.4
191.97285	0.9
193.10175	1.6
194.07269	0.9
195.08040	8.1
195.10147	4.5
203.10677	1.8
207.08151	1.2
207.10132	2.4
212.08376	0.9
221.06003	2.0
221.09654	3.8
221.11731	15.0
222.06735	1.7
223.07559	5.8
225.09103	7.6
227.10628	5.2
235.07556	1.5
249.09116	2.1
251.07063	3.2
251.10669	5.4
253.08600	9.3
255.10133	6.2
265.08511	2.5
268.07516	1.1
270.08939	1.2
279.10153	1.8
282.08762	1.3
283.09708	11.4
285.11230	30.8
293.10049	1.1
295.09625	0.8
297.11337	3.8
298.11292	1.3
299.12701	1.7
305.25134	0.9
311.12823	13.2
323.12738	1.1
329.13840	60.9
341.13821	6.8
343.15396	1.0
359.15009	2.0
377.97745	0.9
538.28760	2.1
539.34235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
57.03443	0.8
61.02927	1.7
64.63668	0.6
67.05502	0.6
69.03421	3.7
69.07060	0.8
69.83353	2.9
71.04999	1.4
81.03437	2.0
81.07060	1.5
83.65154	0.5
85.02910	12.8
87.99261	0.5
91.03944	1.2
91.05490	1.6
93.07040	1.4
94.04223	1.0
97.02895	3.7
99.04459	1.0
103.05485	2.3
105.07028	1.4
107.04979	1.0
107.08613	1.4
109.02904	1.3
109.06519	2.1
109.10158	1.2
115.05460	5.2
117.07027	1.9
119.08568	0.8
122.03662	3.7
125.05981	1.3
127.03928	2.8
127.11153	0.9
128.06242	1.0
129.07008	5.1
131.04936	4.7
131.08559	0.8
133.06522	0.7
133.10155	1.6
135.11716	1.0
137.05984	81.5
143.04932	9.6
144.05653	1.3
145.04994	3.5
145.06500	1.3
145.10132	0.7
147.08078	1.3
147.11687	0.8
149.05934	0.6
151.03903	0.9
153.05482	3.4
157.06505	4.9
160.05203	13.4
161.05960	3.0
163.07535	5.0
165.05371	0.6
168.12988	0.6
172.05219	2.2
173.05951	1.0
174.06747	1.7
175.07553	100.0
177.09105	0.8
180.08685	2.6
187.07552	35.6
189.09135	7.3
191.08540	1.0
193.08699	1.1
199.07523	0.9
203.08583	1.1
205.08606	23.7
211.07553	1.1
217.08611	4.3
219.08095	1.7
219.17308	0.8
220.08775	0.8
227.54436	0.7
231.08034	1.9
232.08830	0.8
235.09651	24.5
237.18546	2.5
239.07010	1.4
240.07774	0.9
247.07544	1.6
248.08289	1.6
251.10667	1.3
255.06473	1.3
259.07495	1.8
263.10669	2.5
264.07898	0.6
268.39832	0.7
270.08896	1.4
271.09680	3.4
276.07742	1.2
279.10223	2.9
283.09555	1.4
291.10132	5.6
292.11066	0.7
308.10547	0.9
311.12979	3.6
323.12729	6.3
341.13806	7.9
384.10748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76298	1.1
52.26967	0.9
53.03956	1.2
55.05505	2.6
57.03442	2.1
59.04996	1.2
67.05506	3.0
69.03446	4.9
69.07063	2.7
69.30302	7.8
70.06599	2.3
71.04989	1.8
79.05499	12.3
80.03946	0.9
81.03407	1.2
81.07064	17.0
83.04983	1.1
83.08624	1.2
85.02917	5.6
86.09701	1.3
87.04470	2.1
91.05490	4.0
93.07042	8.5
95.08616	7.1
97.02363	0.8
97.02869	4.3
97.06521	3.6
98.20790	1.5
105.07045	7.6
107.08607	46.4
107.14679	0.9
109.02933	1.1
109.06532	2.9
109.10161	2.0
115.03934	5.2
115.07577	1.5
117.03401	1.1
119.04979	0.9
119.08571	4.4
121.10164	15.3
121.16341	1.0
123.08076	2.1
125.09653	3.8
127.03936	1.5
131.08577	2.8
133.04964	4.7
133.10121	4.3
135.11711	4.6
137.05994	3.5
137.13251	1.2
145.02863	2.9
147.04453	1.8
147.11731	1.3
149.13420	1.0
161.13271	13.6
163.03903	1.1
163.14835	5.9
164.07101	7.1
167.14403	1.2
173.13300	1.5
175.14964	1.2
177.05486	11.8
179.14328	100.0
183.06520	1.0
191.14342	11.9
193.15923	4.4
197.65926	0.9
209.15384	18.3
214.77277	0.9
219.17467	1.8
295.10187	1.9
311.18512	1.0
323.18317	1.6
353.19717	1.6
371.20673	0.9
379.13138	1.7
395.19504	1.3
403.24142	1.0
538.24988	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	538.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.05502	2.6
57.03438	3.5
59.05001	1.6
65.88952	0.8
67.05507	2.0
69.03434	7.6
69.07067	3.2
70.06600	1.4
71.04989	2.2
71.52291	1.0
79.05496	14.0
81.03417	2.3
81.07064	18.3
83.04990	1.2
84.08154	0.9
85.02903	6.5
87.04458	3.3
89.03895	1.0
91.05488	4.2
93.07058	7.9
95.04983	1.5
95.08606	7.9
97.02899	3.9
97.06538	3.1
99.04443	1.4
99.08127	0.9
105.07028	6.7
107.08599	48.4
109.02843	1.1
109.06529	3.4
109.10146	2.3
111.04509	1.0
115.03935	5.1
115.07546	1.1
117.03368	1.9
119.08608	4.9
121.06464	0.9
121.10155	13.0
122.03687	0.9
123.08075	2.7
125.09647	3.4
127.03889	1.4
131.04890	0.9
131.08559	2.1
133.04953	4.6
133.10156	4.7
135.08080	1.0
135.11671	5.1
137.05991	3.7
137.13251	1.6
138.06392	1.1
145.02846	4.5
147.11716	1.1
149.09579	0.9
149.13181	0.9
151.11206	1.0
161.13260	11.6
163.03914	1.8
163.14871	4.9
164.07112	1.8
173.13220	1.2
175.14856	1.6
177.05498	13.3
177.06931	1.5
177.16327	1.3
179.14317	100.0
183.06540	1.6
191.14314	10.4
193.15872	4.6
204.55025	0.8
209.15388	19.1
219.17456	2.1
223.31372	0.7
233.15218	1.2
295.10190	2.4
311.18365	0.8
339.10779	1.2
348.12747	1.1
353.19632	1.2
376.15125	1.1
397.60062	0.7
454.66373	0.9
465.51895	0.8
484.56021	0.8
538.21930	1.6
549.71405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.7
55.05503	7.0
57.03450	13.1
57.03674	2.4
57.07062	3.1
59.05007	4.0
67.05505	7.2
69.03434	36.1
69.07059	6.1
70.06574	2.9
71.04996	6.8
71.51407	3.6
71.51829	3.5
73.02912	2.6
76.85979	3.1
79.05482	12.2
81.03407	4.9
81.07043	17.3
83.04977	11.5
83.08617	6.2
84.08124	4.3
85.02915	28.6
85.06538	6.7
87.04468	25.7
91.05477	12.1
93.07043	21.2
95.04980	72.5
95.08624	14.3
96.05295	3.9
97.02910	25.7
97.06517	13.1
99.04486	19.8
99.08074	3.9
103.05461	4.5
105.07054	18.5
107.08610	20.7
109.06528	22.6
109.10185	14.4
111.08097	3.4
113.06026	3.1
115.03934	27.6
119.04933	7.6
119.08631	14.6
121.06525	6.7
121.10166	17.2
122.06831	3.0
123.08093	3.8
125.09634	3.1
131.04930	7.6
131.08566	15.4
133.04973	28.3
133.10136	49.3
135.08061	6.3
135.11754	4.3
137.05997	14.7
138.06299	3.6
139.11188	28.5
145.04944	5.0
145.10143	8.4
147.04401	8.2
147.08063	3.2
147.11716	21.2
149.05920	4.0
149.13251	7.4
151.11157	9.0
153.09111	30.7
158.10959	3.3
163.03886	3.8
163.11369	2.8
163.14806	7.4
167.07016	6.9
167.14212	3.3
173.13278	38.6
175.03889	6.9
175.14859	24.4
191.14311	56.5
192.14534	3.7
193.16013	2.5
207.06619	19.0
209.15384	100.0
210.15663	9.1
227.12935	3.7
227.16415	51.9
230.59129	2.6
284.24246	2.9
538.19196	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	539.2126
Annotation	Cypellocarpin B
Peak:m/z	Relative Intensity
53.03953	5.4
55.01863	1.2
55.05511	2.8
57.03436	5.5
65.03945	1.9
67.05503	3.4
69.03432	15.1
69.72595	5.9
71.01356	1.2
71.04985	1.4
75.04491	6.2
79.05495	13.1
81.03418	11.3
81.07057	5.7
83.04970	2.3
85.02911	12.4
85.06545	2.0
91.05482	17.8
93.07048	69.0
95.04966	3.9
95.08606	2.3
97.02895	4.9
98.20841	1.4
99.04453	2.9
103.05487	2.6
105.04516	1.4
105.07036	13.5
107.08608	6.0
109.02881	4.6
109.06516	1.5
111.04411	4.0
111.08076	4.0
117.06995	2.4
119.04931	9.0
119.08586	50.1
121.06506	6.0
121.10147	100.0
123.08037	3.7
123.11687	1.1
127.03914	4.3
129.05475	2.8
129.07005	2.1
131.04916	2.6
131.08556	6.3
132.05365	1.3
133.10124	1.9
135.08040	2.1
137.05978	21.4
138.06323	5.9
139.11148	5.4
143.08635	1.2
145.04984	3.3
145.10088	1.9
147.04401	7.8
149.05988	2.8
149.09625	47.6
153.28233	1.0
157.10089	1.5
159.11681	1.6
161.05943	1.8
163.07603	1.3
165.05498	5.4
165.09181	1.9
167.06985	1.8
167.10686	33.4
179.07086	3.2
183.06578	2.3
193.05002	4.0
197.38533	1.1
198.54744	1.0
211.06020	9.8
229.06998	2.6
257.15695	1.1
264.11050	1.2
283.15262	1.6
291.19589	4.2
292.10562	1.9
293.13846	6.9
311.14987	8.1
341.13760	4.1
342.14163	6.0
359.15057	3.3
360.15298	6.2
390.33963	1.2
503.18768	2.1
521.20081	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01856	4.6
55.05511	21.1
57.03444	16.0
57.07079	45.3
65.03950	2.7
67.05505	28.6
69.07079	17.5
69.36872	15.4
69.37294	7.8
70.18359	3.7
71.08633	29.3
79.05500	24.6
80.62522	2.7
81.03419	12.2
81.07063	41.8
83.01349	7.8
83.04974	12.1
83.08638	24.1
85.02893	4.3
85.10174	18.7
90.87862	2.9
91.05492	14.9
93.07049	27.4
95.04979	4.2
95.08601	34.0
97.06538	6.0
97.10172	5.4
98.20782	6.3
105.07029	12.0
107.04948	9.3
107.08617	15.0
109.06560	3.4
109.10167	17.1
111.04430	6.5
117.07012	10.5
119.08575	11.9
121.06519	3.2
121.10152	10.5
123.08096	9.1
123.11772	3.3
130.04994	3.5
131.08611	4.9
135.11691	13.5
136.59517	3.0
140.41832	2.8
145.10126	18.9
147.08049	4.5
153.12744	5.3
159.67455	3.3
163.11168	30.2
168.83559	2.8
181.12260	5.0
191.10674	8.5
209.11720	13.9
227.12857	13.2
239.23865	4.7
239.28909	3.6
283.15402	94.1
308.19818	3.0
313.27365	100.0
349.77890	2.8
359.97083	2.9
389.31030	3.2
521.38477	63.8
522.38989	4.8
539.42181	48.9
545.38605	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	539.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
53.52323	3.4
55.01883	4.7
55.05513	33.8
57.03438	18.7
57.07082	50.4
60.59965	2.9
61.19624	3.0
62.59110	3.1
67.05513	43.2
69.07076	19.7
69.92374	12.4
71.04993	4.3
71.08646	30.8
79.05155	3.3
79.05503	39.5
81.03412	6.4
81.06608	3.5
81.07068	54.4
83.04977	8.1
83.08625	28.1
85.02917	4.2
85.06529	4.0
85.10200	18.0
85.10604	3.4
85.90445	3.1
89.06030	4.2
91.05483	25.0
93.07050	53.1
95.04977	16.8
95.08613	62.0
97.02866	4.4
97.06518	5.9
97.10146	10.4
99.04457	4.4
105.07048	26.8
107.04947	11.5
107.08604	39.7
109.06534	3.8
109.10182	22.6
111.04453	5.4
117.07031	14.7
119.08577	19.2
121.06501	5.3
121.10158	16.1
123.08115	4.8
129.07047	5.1
131.08594	9.3
133.10117	8.6
133.99631	3.7
135.11697	44.4
143.08568	12.6
145.10127	32.7
147.11655	11.1
155.08546	12.2
157.10136	8.8
159.11620	7.6
163.11177	58.9
167.08607	4.7
169.10110	9.0
171.11685	10.0
179.79343	3.0
181.10120	8.2
181.12228	9.4
183.11708	8.0
185.13301	4.7
195.11650	8.7
197.13274	6.9
203.95839	3.3
209.11632	7.9
209.13423	6.6
211.14882	5.1
212.17548	3.4
221.13423	3.7
227.12793	76.5
234.55676	3.2
239.23743	5.2
283.15445	74.3
300.19489	3.6
313.27371	100.0
349.25146	3.9
429.31427	6.9
429.46674	3.6
447.32785	16.3
465.33633	4.9
483.34763	3.7
485.83051	5.1
521.38385	87.5
539.37427	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	6.6
54.23785	3.5
55.01867	9.0
55.05515	24.2
57.03446	18.3
57.03683	3.5
57.06835	4.9
57.07081	60.6
67.05509	42.8
69.03426	13.6
69.07059	12.9
71.04979	4.6
71.08636	36.4
71.23988	3.6
71.52454	3.7
73.02907	9.5
79.05485	29.3
81.03431	17.3
81.06598	3.8
81.07064	46.8
83.04979	6.8
83.08604	22.6
84.21392	3.2
85.02911	13.3
85.10188	28.1
87.33427	3.6
91.05477	15.7
93.07046	31.5
95.04966	8.1
95.08070	5.6
95.08613	65.2
97.02869	11.4
97.06521	4.4
97.10156	12.8
99.04446	6.2
105.07022	10.1
107.04977	9.7
107.08613	23.9
109.02876	19.8
109.10160	27.5
110.03630	3.5
111.04444	22.6
111.08061	3.9
117.07015	9.2
119.08533	7.5
121.06515	5.9
121.10152	14.0
123.11672	7.4
126.54879	3.5
127.03945	8.2
132.99527	6.6
133.10164	5.0
135.11696	36.1
145.10139	25.4
151.00571	3.9
155.08571	3.8
163.11194	50.2
165.16415	3.4
181.12231	11.7
191.00049	8.3
191.10837	3.7
209.01149	3.8
209.11644	20.4
227.12791	85.1
239.23758	37.0
265.14185	4.0
283.15427	58.9
313.27383	100.0
330.75528	4.1
521.38489	62.8
539.28711	27.1
539.39478	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01865	5.4
55.05517	18.7
56.66520	1.6
57.03440	10.5
57.07080	41.5
67.05511	31.4
69.07068	15.3
71.05000	3.1
71.08640	25.9
71.53028	2.3
73.02930	2.0
79.05495	31.0
81.03419	4.9
81.07059	39.9
83.04980	4.4
83.08623	20.2
85.10194	18.1
89.06004	3.8
91.05474	14.8
93.07046	34.2
95.04974	11.3
95.08616	49.1
97.02906	5.0
97.06540	5.9
97.10175	6.4
99.04442	3.5
105.07029	11.7
107.04970	12.6
107.08603	33.8
109.06513	2.9
109.10135	10.5
111.04466	1.6
111.08092	2.1
117.07037	12.2
119.08586	9.6
121.06495	8.1
121.10133	12.4
123.11691	5.1
125.06004	2.4
130.07765	4.1
131.08549	2.3
133.08664	1.9
133.10133	1.7
135.08043	1.8
135.11702	41.1
138.27344	1.6
143.08540	2.1
145.10135	32.0
155.08551	2.6
163.11195	57.5
163.12563	2.9
173.09631	6.7
181.12216	11.6
191.10637	6.2
209.11729	7.4
227.12793	100.0
239.23744	4.2
265.14349	12.5
265.72311	1.6
283.15411	51.3
313.27390	89.6
324.48029	2.1
339.15973	2.4
379.19116	2.3
425.19656	4.6
451.21414	3.9
496.98727	2.1
521.38422	67.1
539.22754	15.6
539.39417	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	540.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66574	0.8
53.89127	0.9
55.01862	1.5
55.05513	1.2
57.03429	1.0
67.05513	4.2
68.60310	0.8
69.03423	2.4
70.06590	2.7
70.95073	1.4
70.95425	1.8
71.01354	4.2
71.18311	0.8
79.05497	6.8
81.03418	3.0
81.07053	5.8
81.54115	0.9
84.08150	3.7
85.02906	7.6
91.05492	6.1
93.07050	24.4
95.04972	9.0
95.08614	3.4
96.34211	0.8
97.02885	2.3
99.04443	1.0
105.03403	1.2
105.07058	1.7
107.04964	2.1
107.08595	10.1
109.06518	1.1
111.08098	5.0
115.05461	1.4
117.07034	8.1
119.08573	2.1
123.04423	1.5
125.02367	3.9
127.03952	1.3
133.02805	0.9
135.08067	38.5
137.09624	22.7
137.10620	1.8
139.03937	1.6
145.04941	2.4
145.06528	1.2
153.09123	17.9
163.06154	1.6
163.07561	40.2
181.08606	79.1
189.06148	0.9
199.09674	100.0
201.05432	0.9
302.01791	0.9
325.13019	5.4
343.13721	2.7
347.18408	2.3
365.18680	1.1
378.15222	1.1
520.29663	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58078	0.5
57.03434	0.8
61.02926	1.0
67.05502	0.9
69.03421	1.7
70.06599	1.2
71.02754	0.9
71.03128	0.5
72.08212	0.5
81.07045	0.7
81.34496	0.5
85.02927	4.4
86.09702	0.6
91.05463	1.6
97.02866	1.1
103.61049	0.5
107.08568	0.7
109.15141	0.6
118.27216	0.7
127.03864	0.6
128.06268	0.8
129.07007	6.8
131.04890	1.3
131.08589	6.1
134.37411	0.5
135.08078	0.6
137.06024	2.9
138.05548	0.5
141.07024	4.8
144.05725	0.8
145.04959	1.4
145.06409	0.5
146.07268	0.7
151.03911	0.6
157.06516	5.7
158.07257	2.2
159.08058	6.4
160.05244	0.7
163.07597	1.0
164.07036	1.2
169.06485	2.7
170.07298	1.0
173.05899	0.5
174.06773	11.7
175.07475	2.6
179.73824	0.5
181.08484	1.2
186.06737	3.4
188.08327	0.8
189.09120	23.5
191.07080	0.6
191.10684	1.9
199.09663	1.2
201.09113	9.9
207.10197	1.4
219.10170	100.0
374.13861	0.6
381.15378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84071	0.4
64.64976	0.3
66.05490	0.3
69.03410	0.7
70.53835	1.3
79.05453	0.4
85.02905	2.2
91.05460	2.8
94.04153	1.0
97.02892	0.7
98.21441	0.4
103.05471	6.7
105.07014	0.7
107.04957	1.0
107.08572	0.4
109.06495	0.9
115.05451	1.0
117.07045	2.3
119.04926	2.1
121.06502	1.0
122.03623	1.5
123.08086	0.6
128.06224	0.5
129.06961	1.0
131.04927	14.6
133.06424	0.5
135.08023	1.0
137.05978	24.2
138.06303	0.7
139.06581	0.6
143.08545	0.8
145.06467	0.7
149.05943	1.8
151.06306	0.7
151.07538	12.9
157.06480	1.4
161.05974	3.2
162.06789	1.9
163.07542	39.8
164.06961	0.5
165.09106	0.5
167.06841	0.3
167.08534	1.0
171.08093	0.6
174.06743	0.6
175.07542	4.4
176.07947	0.7
177.09108	100.0
187.07582	0.5
189.09137	2.8
193.10121	0.5
195.08081	2.0
195.09921	2.2
203.10667	0.5
207.10271	1.0
209.09511	0.4
211.17128	0.5
221.05994	0.8
221.09740	0.7
221.11716	16.9
223.07526	1.1
224.08272	0.5
225.09090	0.7
227.10663	3.6
233.09674	0.4
235.07373	0.5
237.09088	0.5
249.09129	0.7
253.08571	1.5
253.12286	1.6
255.10178	2.7
257.97736	0.4
262.79092	0.4
265.08832	0.5
265.12369	0.4
266.06946	0.4
267.10211	0.9
281.11737	0.8
285.11075	2.0
287.12790	5.8
293.11649	0.8
299.12485	0.6
311.12653	2.1
313.14371	5.2
327.15659	0.4
331.15393	20.1
343.15341	2.3
540.25793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61464	0.6
53.99001	0.6
55.01859	0.7
57.44254	0.5
61.02918	0.9
68.10780	0.7
69.03427	3.2
69.51474	4.8
74.75958	0.7
79.05498	1.0
81.03408	1.4
85.02438	0.9
85.02908	9.5
91.05473	8.9
95.04960	2.6
95.08654	0.7
96.38002	0.6
97.02882	3.0
103.05465	1.4
105.07053	1.2
107.04964	3.1
109.06508	2.2
110.53276	0.6
110.54477	0.6
111.04414	1.0
112.85115	0.6
117.07050	0.6
119.04943	9.4
121.06496	2.8
122.03623	2.3
127.03905	1.4
128.06200	1.2
129.07002	6.0
131.04967	3.3
133.06448	0.8
135.08052	1.8
136.05167	1.0
137.05980	43.1
143.04941	0.9
145.06474	2.0
147.04420	1.4
149.06018	6.0
151.03912	1.9
151.07549	48.7
157.06500	6.3
161.06006	7.5
161.09589	1.5
163.07558	12.3
164.07123	1.4
165.07014	2.0
165.09102	2.3
167.08507	5.1
171.07991	0.8
174.06775	3.5
175.07584	3.4
177.09111	4.5
178.07738	1.1
179.06995	0.9
179.08609	0.8
189.09120	16.7
193.06477	2.6
193.10110	2.5
195.08044	10.5
196.08803	0.9
197.05894	1.0
207.08282	1.0
207.10188	2.7
209.09662	1.8
210.06793	2.1
211.07494	1.0
212.08345	1.7
221.06032	2.8
221.09605	5.5
223.07506	5.2
224.08214	1.5
225.05437	0.9
225.08958	4.1
227.10651	15.6
235.07489	1.4
237.05614	0.7
237.09111	1.9
238.06129	1.0
238.09804	0.9
239.07079	0.9
239.10701	1.1
240.07887	1.6
249.09070	3.1
252.07890	0.9
253.08603	6.3
253.12263	8.3
254.09241	0.6
255.10188	17.5
259.13217	0.8
265.08691	0.8
266.09406	0.8
267.10120	4.2
269.08115	2.1
269.11829	1.2
272.10333	0.9
279.10193	0.8
281.11725	3.2
284.10345	1.6
285.11191	11.8
287.12784	25.0
299.12833	2.1
301.14471	0.9
313.14325	20.3
331.15393	100.0
332.15674	0.7
335.69720	0.6
343.15576	3.9
353.73361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.1
57.03426	3.9
57.07086	20.8
58.06595	1.9
67.05506	16.1
69.07066	18.6
70.06601	10.2
71.08641	13.6
71.52435	2.4
79.05486	7.7
81.07072	22.6
83.05003	1.7
83.08632	15.5
84.67289	1.6
85.10196	5.2
88.07639	20.5
88.41273	1.6
89.06030	15.8
91.05473	4.0
93.07055	13.2
95.08625	11.3
97.10165	8.6
102.09206	14.1
107.08589	7.8
111.08089	3.0
111.11728	3.2
117.02349	1.8
121.10162	5.4
133.08624	7.5
139.07570	2.8
149.13295	4.0
159.11674	2.5
161.83643	2.1
177.11203	3.3
195.13803	3.0
237.22237	2.2
256.26379	38.5
269.17487	18.0
274.27386	2.7
283.26193	8.3
284.29492	9.2
311.25879	17.0
311.29510	36.4
311.32962	2.9
327.20157	9.8
477.39609	9.2
505.38928	50.6
540.53546	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	540.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96303	0.4
56.96567	4.9
69.92327	0.8
71.95258	1.3
98.97586	72.0
109.27508	0.2
116.98625	35.1
130.93303	0.6
134.99661	9.0
140.00208	0.8
153.00729	0.4
154.93344	0.3
158.01303	0.4
172.94339	2.9
190.95415	2.7
197.95110	0.2
208.96510	0.6
214.95369	3.5
230.93477	0.3
230.98541	0.3
232.96469	6.7
240.98839	0.7
241.94032	0.4
248.94409	0.3
250.97552	2.3
256.96442	20.4
257.96976	0.2
258.99780	8.9
272.94568	0.6
274.97516	100.0
275.97870	0.8
276.97980	0.4
277.00818	9.2
279.00635	0.3
282.99988	0.5
288.99252	0.3
290.95511	0.6
292.98566	49.0
293.98691	0.3
297.99103	2.8
298.97638	1.8
299.97894	0.4
300.02344	0.2
300.97855	0.2
301.01089	0.5
303.00766	0.3
314.95618	0.7
316.00244	1.1
316.98840	1.8
317.98956	0.2
332.96814	1.0
356.96756	0.4
372.94525	0.2
374.97705	0.9
383.00000	1.0
398.97638	25.9
399.97760	0.5
401.00980	2.4
414.95618	0.9
416.98700	45.3
417.98672	0.5
419.02084	0.4
425.01401	0.2
432.96603	0.9
434.99768	5.3
438.96631	0.2
440.00339	2.3
440.98938	0.6
441.99423	0.3
456.96838	1.5
457.96619	0.4
458.99844	0.5
474.97757	0.4
499.97803	0.2
540.98859	19.1
541.98877	0.5
556.96118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2281
Annotation	Foliamenthin
Peak:m/z	Relative Intensity
53.03943	2.3
55.01878	0.8
55.05516	4.7
57.03425	1.7
57.07063	1.9
57.07312	0.5
59.04977	0.7
62.32431	0.4
65.03943	2.2
67.05505	13.0
67.28701	0.4
69.03091	0.4
69.03438	4.9
69.07072	4.7
69.47977	1.5
69.48409	1.3
71.01337	0.6
71.04987	4.6
73.06538	0.9
79.05071	0.8
79.05492	10.0
81.03423	14.3
81.07058	46.9
83.04964	1.4
83.08606	1.9
85.02888	2.3
85.06533	1.5
89.03892	0.4
91.05484	15.7
93.06489	0.8
93.07047	11.4
95.04978	4.2
95.08611	14.9
97.02874	1.7
97.06525	3.0
97.10172	2.6
98.20773	0.9
99.04436	1.7
99.08107	0.6
103.05474	2.3
105.07043	2.4
107.04942	1.9
107.08603	5.1
109.02880	7.4
109.06536	2.7
109.10162	3.2
111.04433	0.9
111.08062	1.2
113.09577	0.5
117.03407	0.7
119.04946	14.5
119.08590	0.7
121.06517	7.4
121.10131	0.8
123.04411	1.5
123.08079	1.0
123.11707	36.0
124.12044	0.5
127.03925	5.7
133.10158	2.5
135.04410	6.3
135.11658	0.8
137.05975	5.6
141.12767	1.0
145.01776	0.7
145.02850	9.7
147.04411	20.9
149.05978	4.5
151.11201	5.3
163.03909	30.1
165.05481	7.6
167.07039	2.4
169.12242	9.2
173.02354	2.4
175.03876	3.8
183.06511	0.9
186.67380	0.5
187.13315	3.3
189.01839	0.8
191.03395	20.9
192.34981	0.5
193.04971	22.0
193.12343	0.5
199.07465	0.6
209.04454	39.3
211.06001	8.3
229.06990	0.9
231.79863	0.5
277.14297	0.5
285.14755	0.9
295.15564	3.1
313.16559	3.4
315.15872	10.2
319.07990	0.8
331.14807	0.8
331.18030	0.7
333.17068	2.8
337.09085	0.9
343.15350	1.1
355.10190	0.6
359.14874	3.3
361.16452	100.0
362.16776	0.6
377.15958	3.6
379.17532	1.4
423.18472	0.5
469.18597	1.4
478.38098	0.5
487.19736	7.0
505.20676	16.3
523.21747	20.6
541.21564	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2286
Annotation	Foliamenthin
Peak:m/z	Relative Intensity
53.03939	3.2
55.05524	6.1
57.07079	1.9
65.03944	1.9
67.05513	15.3
69.03427	4.9
69.07075	5.6
69.57758	3.4
69.58167	2.5
71.05001	6.2
79.05508	8.6
81.03424	16.3
81.07063	49.5
82.02741	0.9
83.04985	1.6
83.08638	2.3
85.02908	4.0
85.06541	2.5
85.07024	1.0
91.05491	19.8
93.07044	12.8
95.04993	6.3
95.08617	15.9
97.02888	2.6
97.06548	3.6
97.10154	3.1
99.04449	2.0
100.37035	0.9
103.05466	2.8
105.07035	2.4
107.04952	1.9
107.08598	5.5
109.02884	8.3
109.06526	2.9
109.10141	2.5
111.04426	2.1
111.08090	1.7
113.06011	1.8
117.03451	1.0
119.04945	17.7
121.06517	7.2
121.10124	1.5
123.08105	1.2
123.11714	39.6
127.03964	6.3
131.04881	1.5
133.10118	2.1
135.04424	7.2
137.05962	7.1
138.06305	1.2
145.02843	9.6
147.04419	26.6
149.06013	5.6
151.03798	1.0
151.11212	6.4
163.03915	34.2
163.07527	1.4
165.05470	8.6
167.07022	2.3
169.12250	10.9
173.02357	2.2
175.03917	3.6
177.09105	1.9
178.09460	1.0
187.13245	4.7
189.01828	1.4
191.03412	24.0
193.04970	23.1
193.06726	1.1
207.06644	1.7
209.04474	42.3
211.06049	8.3
229.06999	1.2
266.66708	1.0
287.16278	1.1
295.15317	1.9
313.16696	5.0
315.15900	8.4
332.15720	2.9
333.17010	3.4
359.15021	2.7
361.16473	100.0
362.16565	1.7
377.15955	2.6
379.17496	2.3
460.96170	1.0
469.18378	1.5
487.19684	7.0
505.20688	16.4
523.21777	24.5
541.22815	3.5
558.11713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.3
55.01867	7.3
55.05514	27.5
57.03440	8.5
57.07083	9.6
61.02919	6.3
65.03944	3.7
67.05505	37.3
68.99798	6.6
69.03430	62.2
69.07066	39.9
69.20785	2.1
69.21121	17.0
71.01334	1.9
71.04980	7.1
71.08620	5.0
73.02908	5.6
78.68726	1.6
79.05499	24.9
81.03420	56.6
81.07056	100.0
83.01365	2.2
83.04986	5.5
83.08624	24.7
85.02905	80.6
85.06540	23.7
87.00827	32.8
91.05476	14.1
93.07041	34.1
95.04989	10.3
95.08608	85.3
97.02886	28.8
97.06533	7.0
97.10161	13.6
99.04453	16.9
99.08110	15.5
103.03930	2.6
105.01871	19.9
105.07036	17.0
107.04978	6.0
107.08589	35.6
109.02882	43.4
109.06522	6.8
109.10160	47.4
111.04467	7.0
111.08075	11.6
111.11693	9.4
113.09654	3.4
115.03945	3.9
117.01879	2.7
117.07044	4.1
119.08585	13.4
121.06518	5.1
121.10129	23.9
123.04438	3.3
123.08068	3.0
123.11714	23.9
125.09634	4.7
125.13278	4.1
127.03915	79.8
127.11174	3.5
128.06187	2.7
129.01852	3.2
129.05547	2.7
129.07007	3.7
131.08556	8.5
133.06503	2.3
133.10143	12.8
135.08084	5.7
135.11696	12.4
137.05989	4.8
137.09648	3.3
137.13263	10.2
139.11159	2.5
143.08559	4.9
145.04964	21.7
145.06129	2.8
145.06450	2.4
145.10112	11.0
147.02901	2.6
147.08032	3.1
147.11690	8.0
149.09602	4.0
149.13261	15.4
151.14786	11.7
153.09030	1.8
155.08601	3.7
157.10117	4.2
159.02875	16.5
159.08105	2.0
159.11714	5.4
161.09625	4.2
161.13272	6.3
163.07544	2.8
163.11227	2.4
163.14810	8.0
165.09155	5.0
165.12756	1.8
165.16431	3.9
169.10136	2.8
171.11707	3.3
173.09634	3.3
173.13286	6.6
175.11169	3.8
175.14870	5.1
177.09061	2.4
177.12787	2.6
177.16394	4.6
183.11685	3.3
185.13181	2.7
187.14804	3.8
189.03984	4.1
189.09111	3.8
189.12773	2.2
189.16382	4.4
191.10829	2.6
191.17924	3.9
199.14859	2.4
201.03947	1.8
203.10851	2.2
203.14355	2.3
205.12196	1.8
205.19539	3.1
211.14867	2.4
213.03894	3.7
213.16475	2.9
215.14343	1.9
217.19490	2.8
221.15523	1.9
223.13042	1.9
223.20607	3.2
227.17966	2.0
231.04935	17.4
273.25827	2.2
275.27289	3.3
291.26773	2.5
293.28397	14.1
293.89703	1.7
305.28314	5.2
311.29581	3.3
315.26959	2.0
317.28510	4.2
321.28125	2.4
333.27960	2.1
335.29492	3.0
359.29333	2.2
377.30432	2.7
383.29471	11.0
401.30487	19.6
419.31754	8.8
479.33414	2.7
487.30533	7.9
505.31693	11.1
523.32477	5.7
541.33240	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	541.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01872	3.3
55.05515	19.3
57.03431	3.1
64.08082	1.3
67.05511	20.0
67.29357	1.6
69.07070	7.4
69.47620	2.9
69.48030	9.1
71.04993	2.7
71.81087	1.6
77.38519	1.4
79.05495	18.8
81.03437	5.2
81.07067	18.3
83.04998	4.0
83.08624	9.4
85.06556	2.1
90.96143	1.4
91.05493	13.2
93.07057	11.8
95.04997	4.2
95.08604	9.2
97.06532	2.2
97.10181	11.0
103.05493	1.8
105.07040	16.5
107.04973	2.3
107.08595	10.3
109.06502	1.6
109.10152	6.1
115.05462	1.9
117.07021	10.6
119.08568	8.8
121.06504	2.4
121.10142	4.7
123.08066	2.7
125.09651	5.4
128.06184	1.9
129.07036	9.7
131.08583	10.7
133.06448	2.2
133.10139	5.2
135.11707	2.1
136.89194	1.4
138.09454	1.9
141.06981	3.3
142.07777	4.0
143.08600	10.0
145.10132	8.8
147.07983	2.1
147.11728	2.5
151.11224	1.8
153.09128	2.1
155.08559	6.9
157.10115	8.9
159.07982	2.8
159.11688	5.4
161.09709	2.6
167.08568	2.6
169.10175	9.0
171.08046	1.7
171.11668	6.1
173.13327	2.5
179.08585	1.7
181.10152	5.3
183.11710	6.6
185.09650	1.6
185.13249	5.6
189.11252	5.9
193.10158	2.8
194.11011	1.5
195.11714	4.5
197.09755	3.5
197.13255	3.7
199.14879	2.6
207.11732	2.9
209.13354	3.0
211.14882	2.4
219.11786	1.7
221.13226	2.9
223.14813	2.2
225.16397	1.6
227.12773	3.6
230.70761	1.4
249.25067	1.4
250.16861	1.7
275.20184	1.8
277.07010	1.4
297.22180	8.6
363.23962	1.6
413.28635	2.1
431.29434	6.5
449.30725	12.6
467.31708	6.5
485.32535	2.3
523.34210	13.0
541.35291	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	541.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.0
51.02377	1.2
53.03949	5.7
55.01877	3.2
55.05515	20.9
57.03436	2.1
57.07082	7.8
58.07412	0.7
59.05010	0.5
65.03948	4.0
67.05508	63.8
69.03436	1.8
69.07071	17.4
69.98763	2.1
70.06598	6.3
71.05007	2.5
71.08640	3.9
73.02911	0.9
73.06169	0.4
73.06564	1.5
74.09723	0.5
75.53741	0.5
77.03935	1.7
79.05499	80.7
81.03426	7.3
81.07062	56.2
83.04987	11.2
83.08623	7.8
85.06544	1.9
85.10194	2.0
87.04456	0.6
87.55547	0.5
88.07639	7.4
89.07986	0.7
91.05486	60.9
93.07050	74.9
95.04373	0.9
95.04979	16.6
95.08612	37.3
97.02919	0.7
97.06520	5.0
97.10176	3.7
99.08112	0.7
102.09184	6.2
103.05478	1.6
103.09547	0.6
105.04543	3.9
105.07037	40.8
107.04970	5.3
107.08603	27.3
109.06533	4.7
109.10165	11.0
111.08089	2.1
114.79620	0.6
115.05461	0.7
117.07022	11.3
118.06570	0.8
119.08590	23.0
121.06538	2.2
121.10146	17.4
123.08076	4.5
123.11710	1.9
125.09634	0.8
126.23328	0.5
127.07582	1.0
128.06216	1.8
129.07021	12.5
130.07816	1.1
131.08572	9.3
133.06526	0.9
133.10139	13.6
133.11092	0.9
135.08018	0.9
135.11691	10.0
137.09680	0.6
141.07014	0.6
142.07805	0.9
143.08568	8.5
145.10133	12.0
147.08083	1.5
147.11694	25.2
149.13260	3.2
155.06073	0.5
155.08531	1.0
156.09386	0.9
157.10176	1.9
159.11728	4.0
161.09641	2.8
161.13272	11.5
163.11255	0.7
163.14839	0.6
167.08595	0.6
169.10165	2.6
171.11699	23.4
173.13217	3.5
175.14883	1.5
177.12819	0.9
177.16425	0.7
179.14377	1.2
181.10155	0.6
183.11786	0.9
185.13332	1.0
187.14845	1.6
189.12749	9.6
195.11739	0.5
197.13237	0.9
199.14894	1.1
201.16525	1.0
207.13812	26.4
225.14948	1.7
243.21085	1.2
256.26364	12.2
257.26706	5.7
261.22058	3.9
263.16623	0.7
274.27457	1.2
281.17554	1.3
283.26306	2.7
284.26682	1.4
284.29587	2.5
285.29935	1.3
311.29446	10.8
311.32922	0.8
312.29813	8.2
317.24808	2.2
431.33264	0.9
449.34348	1.7
467.35367	0.9
485.36658	0.8
523.38116	1.4
540.53503	13.3
541.38983	100.0
541.53619	39.6
542.38525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
56.96564	0.6
57.03435	0.3
61.02915	0.3
61.14635	0.3
63.67366	0.3
69.03439	0.8
70.18216	0.3
70.18547	1.2
71.04974	0.3
77.03938	0.3
79.05494	1.5
81.03394	0.7
85.02901	3.5
91.05474	1.1
93.07031	1.6
95.05003	0.4
97.02885	1.3
98.21498	0.4
98.97582	2.1
99.04472	0.3
103.05462	6.0
107.04962	2.1
109.02922	0.5
116.98629	0.5
119.04945	1.4
120.08102	100.0
121.06501	0.3
127.03908	1.1
131.04926	2.6
135.04431	0.8
137.05956	2.0
142.25232	0.3
145.04953	0.9
147.04433	2.3
149.05968	2.3
158.99646	0.7
163.03967	2.0
166.08640	54.9
167.07021	1.0
170.99713	0.4
177.00716	0.6
179.07071	2.3
197.07965	0.4
201.00761	0.3
219.01758	0.8
237.02765	0.6
255.06998	0.6
264.07483	0.9
285.02826	0.5
303.03815	0.7
327.04022	0.5
336.09641	1.2
336.59842	0.4
346.60059	0.3
542.17712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88276	0.6
66.54228	0.5
67.64355	0.5
70.53493	1.5
70.53856	0.9
74.20777	0.5
75.42554	0.6
79.21358	0.6
84.30321	0.6
103.18695	0.6
106.86447	0.6
107.13939	0.5
215.23857	0.6
231.37144	0.6
381.08017	9.7
543.13269	100.0
544.13379	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21100	0.3
52.81549	0.3
57.86089	0.3
62.86079	0.3
70.64888	0.8
79.05485	0.4
85.02865	0.3
96.26427	0.3
97.02830	0.4
130.97069	0.3
131.08554	0.3
135.19623	0.3
159.04102	1.5
161.90596	0.3
185.04269	0.7
218.24387	0.3
264.52319	0.3
265.64545	0.3
381.13141	2.9
430.99289	0.3
543.18427	100.0
544.18530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.6
52.77829	0.6
53.03950	3.5
53.08804	0.5
55.01883	3.4
55.05514	15.9
57.03413	2.6
57.07056	2.1
59.55152	0.5
65.03944	2.7
66.85139	0.7
67.05508	35.5
69.03405	2.6
69.03733	0.5
69.07076	10.1
69.30308	0.5
71.05006	3.3
71.08615	0.8
73.02897	0.5
77.03880	0.9
79.05497	49.6
81.03420	3.3
81.07061	40.5
83.04990	4.4
83.08624	8.3
83.47714	0.6
85.02873	0.7
85.06525	1.3
91.04922	1.2
91.05486	24.7
93.07048	59.2
95.04974	8.7
95.08611	43.8
97.02858	3.3
97.06535	4.1
97.10194	2.8
99.04462	3.4
99.08079	0.7
105.04512	1.0
105.06326	0.6
105.07034	14.6
107.04965	6.9
107.08597	37.4
109.06532	3.2
109.10161	8.8
111.08061	1.5
113.05998	0.8
113.09632	0.8
115.05420	1.2
116.06229	0.7
117.07021	13.9
119.08585	13.7
120.37228	0.5
120.54999	0.6
121.06516	4.3
121.10148	21.9
123.08060	1.0
123.11698	0.7
125.05956	2.0
125.09621	0.9
128.06227	0.6
129.06964	2.3
130.07820	2.7
131.08575	6.9
133.10130	7.5
135.08089	2.7
135.11696	46.9
139.07545	1.6
143.08536	2.1
145.06470	0.8
145.10133	27.9
147.11684	2.8
149.13300	3.2
153.12726	1.4
155.08574	0.8
157.10109	1.1
159.11720	3.6
161.13242	2.1
163.11188	48.1
171.11658	1.1
173.13251	2.0
175.14854	0.9
179.14240	0.9
181.12228	10.7
187.14804	1.3
197.13208	0.7
209.11729	2.1
211.14830	1.1
227.12788	100.0
229.42897	0.7
243.20973	1.4
261.22174	5.7
283.15448	1.2
299.23883	1.0
317.24847	2.3
333.24210	0.8
336.26120	0.7
358.06238	0.6
385.62317	0.6
412.36737	0.6
433.30917	0.6
451.32001	1.4
515.36902	0.6
525.35907	2.5
543.36835	90.6
544.37518	0.7
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	Methyl camaralate
Peak:m/z	Relative Intensity
51.47229	0.5
53.03943	1.8
55.01864	1.9
55.05515	13.4
57.03446	3.3
57.07064	1.5
59.04991	0.5
65.03937	1.4
67.05509	20.9
69.03423	1.6
69.07073	6.9
70.64297	1.5
71.04996	2.0
76.94283	0.5
79.05495	17.1
81.03419	5.0
81.06592	1.1
81.07059	19.3
83.04978	2.4
83.08627	7.6
85.06544	1.4
91.05485	14.8
93.07050	13.4
95.04990	4.9
95.08065	0.9
95.08616	11.0
97.06524	1.7
97.10172	7.4
99.08102	0.9
105.06400	1.0
105.07047	13.6
107.04991	2.8
107.08603	9.4
109.06524	1.9
109.10163	9.5
111.08099	1.9
115.05434	1.3
116.06192	0.5
117.07030	9.4
119.04999	0.6
119.08593	10.9
121.06509	2.2
121.10129	3.9
123.08102	1.2
123.11710	1.1
125.09644	4.4
128.06229	2.3
128.94467	0.5
129.07001	7.9
131.08575	12.7
133.06520	1.3
133.10153	7.2
135.08070	1.9
135.11708	2.8
135.92390	0.5
136.53583	0.5
137.09688	1.0
141.07005	2.5
141.28178	0.5
142.07806	1.9
143.08565	9.9
145.06473	1.6
145.10123	9.8
147.08070	2.1
147.11687	5.1
149.09644	1.3
149.13235	1.3
150.66479	0.6
151.11171	0.7
154.07829	0.6
155.08585	5.8
157.06520	1.3
157.10135	8.6
159.08072	2.3
159.11696	7.4
161.09612	1.4
161.13268	2.5
163.11185	1.3
163.14838	0.5
165.07001	0.6
167.08575	3.1
169.10147	6.0
171.08138	1.1
171.11714	8.3
173.09647	1.8
173.13235	5.5
175.11201	1.7
175.14754	0.7
177.12813	1.2
179.08566	1.2
181.10196	3.5
183.11684	5.2
185.09656	1.6
185.13304	5.7
187.11205	1.6
187.13307	0.6
187.14839	2.0
189.11217	2.3
189.12756	0.7
193.10216	1.2
193.12259	2.1
195.11726	3.7
197.13191	3.4
199.11238	1.6
199.14854	3.1
201.12730	1.0
201.16502	0.8
207.11711	0.9
209.13258	3.2
211.13107	0.8
211.14847	2.1
213.12761	1.7
213.16446	1.0
221.13286	1.7
223.14948	1.4
225.16377	1.0
227.12773	2.0
227.14668	0.7
229.14415	1.6
235.14870	0.9
239.17952	0.8
241.15913	1.1
241.19513	1.2
243.15814	0.7
259.20532	2.8
265.19705	0.7
267.15781	3.5
273.18643	0.7
283.20590	2.2
285.22327	0.7
287.16608	0.7
297.22198	2.1
299.20682	0.8
299.23676	4.0
301.21594	0.7
307.20847	0.6
311.23734	1.0
313.21774	0.8
321.22186	0.6
325.21774	0.8
333.24258	1.7
351.23181	0.7
353.24576	0.7
355.26373	1.0
357.24243	0.9
371.25681	0.6
415.30124	1.0
421.25662	0.9
423.32510	1.9
433.31149	6.4
435.27634	0.6
451.32135	9.1
469.32977	4.5
487.34216	1.2
499.34525	0.8
507.34698	2.0
515.37311	1.9
525.35809	19.0
543.36859	100.0
544.37402	0.7
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	Methyl camaralate
Peak:m/z	Relative Intensity
50.23919	0.4
50.49153	0.6
50.74585	0.6
53.03940	1.7
55.01863	2.1
55.05512	12.5
55.82809	0.5
57.03449	3.0
57.07079	1.2
63.83492	0.5
65.03947	1.3
67.05508	21.8
69.03428	2.0
69.07072	7.1
69.77461	2.5
71.04980	1.4
79.05498	15.5
81.03425	5.2
81.07060	17.5
83.04988	1.6
83.08617	6.1
85.06536	1.6
91.05486	15.4
93.07047	13.7
95.04987	4.1
95.08610	11.7
97.06527	1.7
97.10173	7.2
99.08112	1.1
103.05447	0.9
105.04550	0.6
105.07039	14.7
107.04965	3.0
107.08590	9.2
109.06516	1.7
109.10160	8.3
111.08091	1.5
114.85876	0.5
115.05470	1.4
117.07027	9.5
118.50921	0.6
119.08592	10.6
121.06531	2.0
121.10149	5.9
123.08057	1.8
123.11696	1.5
125.09641	5.4
128.06216	2.8
129.07011	8.1
130.07816	1.3
131.08569	14.0
133.06523	1.3
133.10129	7.5
135.08037	2.6
135.11743	2.6
135.12627	0.5
137.09599	1.6
141.06979	3.3
142.07808	1.8
143.08553	9.7
144.09245	0.6
145.06517	3.0
145.10121	10.2
147.08072	1.5
147.11702	4.3
149.09642	2.1
149.13278	1.3
151.11299	0.6
155.08571	5.2
156.09380	1.4
157.06500	0.8
157.10141	8.6
159.08028	3.3
159.11699	7.3
160.12375	0.5
161.09650	1.3
161.13281	2.1
163.11205	1.8
165.06972	0.8
165.12743	0.6
167.08589	2.4
168.09303	0.6
169.10147	5.4
171.08118	1.1
171.11682	6.4
173.09647	1.8
173.13261	5.1
175.11227	1.0
175.14833	1.3
177.12788	1.0
179.08653	1.1
181.10135	3.1
183.11691	5.6
185.09686	1.8
185.13306	4.5
187.11220	1.1
187.14870	2.2
188.81982	0.6
189.11246	2.4
189.12762	0.9
191.14388	0.7
193.10205	1.2
193.12230	1.2
195.11751	3.2
197.09590	0.7
197.13277	3.9
199.11156	1.1
199.14867	3.7
201.12822	0.7
201.16393	0.8
207.11690	0.8
209.13329	2.5
211.14886	2.2
212.78299	0.6
213.12830	1.1
213.16411	1.1
215.14420	0.8
219.11746	0.8
219.13843	0.6
221.13335	0.7
223.14885	1.5
225.12875	0.6
225.16374	0.6
227.12717	2.6
229.14299	1.4
229.37379	0.5
233.13297	0.7
235.14861	1.3
237.16544	0.8
241.19595	1.1
242.59578	0.6
247.16942	0.6
257.19083	1.0
259.17313	0.7
259.20615	2.2
261.18665	0.7
267.15842	2.9
271.20728	1.1
275.20200	1.0
283.20544	2.0
287.16736	0.7
297.18921	0.8
297.22110	2.6
299.23660	4.9
301.21661	1.5
307.20627	1.0
313.21655	0.8
315.23306	0.7
321.21945	1.0
325.21664	1.0
327.23254	1.0
333.24368	1.4
335.23438	0.7
339.23218	1.8
353.24704	1.2
357.24146	1.1
371.26059	0.7
405.31357	0.9
415.29721	2.7
417.26401	0.7
421.25916	0.6
421.94739	0.5
423.32559	2.0
433.30975	6.7
435.27408	0.6
451.32153	10.2
469.33298	4.4
487.34171	1.4
507.34549	2.0
515.37219	1.7
525.35736	20.5
543.36835	100.0
544.37518	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01868	3.2
55.05272	1.2
55.05516	13.4
57.03444	3.0
59.04994	1.0
65.03947	0.8
67.05508	22.8
69.03433	1.1
69.07079	7.1
69.29916	0.7
69.98174	2.3
69.98550	1.4
71.05002	1.8
79.05499	15.7
81.03413	4.7
81.07063	20.5
83.04975	1.8
83.08617	6.6
85.06557	0.9
87.92458	0.7
91.05485	13.8
93.07050	16.2
95.04991	4.2
95.08618	12.3
97.06523	2.1
97.10168	7.2
105.07042	15.5
107.04976	1.9
107.08602	10.1
109.06537	1.8
109.10170	7.6
111.08123	1.6
115.05477	1.5
117.07027	8.6
119.08579	9.8
120.08994	0.7
121.06530	2.0
121.10156	3.9
123.08089	1.3
123.11726	1.5
125.09673	4.8
128.06247	2.3
129.07011	8.8
130.07777	0.8
131.08585	12.4
132.84335	0.7
133.06511	1.1
133.10126	8.3
135.08054	2.5
135.11710	2.9
137.09648	1.3
141.07024	2.9
142.07820	1.5
143.08577	8.5
145.06505	1.5
145.10144	10.5
147.08047	1.7
147.11691	4.1
149.09647	1.6
155.08615	5.1
156.09438	0.9
157.10141	9.5
159.08090	2.3
159.11700	7.7
159.49571	0.7
161.09633	1.0
161.13286	2.1
162.60355	0.8
163.11212	1.7
167.08644	2.3
169.10139	5.5
171.08127	1.0
171.11700	6.6
173.09535	1.0
173.13268	5.5
175.11226	1.4
175.14929	1.2
179.08649	1.3
181.10127	3.6
183.11705	5.7
185.13287	6.3
187.11298	1.0
187.14874	2.0
189.11240	1.8
189.12831	1.2
193.10237	1.4
193.12225	2.4
195.11743	3.9
197.13277	3.6
199.11243	1.4
199.14882	3.2
201.12785	1.5
207.11778	1.0
209.13309	2.9
211.15022	1.7
213.12813	1.2
221.13297	1.0
223.14900	1.6
224.61725	0.7
225.16393	1.0
227.12790	1.7
229.14279	0.9
235.14812	1.1
239.14409	0.9
241.19626	1.8
243.15977	0.9
259.20633	3.1
260.42706	0.8
267.15973	2.9
269.12527	1.0
271.20721	0.8
275.20123	1.3
283.20560	2.4
297.22205	2.4
299.20380	1.1
299.23807	3.5
301.21710	1.3
309.21921	1.0
311.20172	1.1
315.23264	1.2
321.21954	1.4
333.24384	1.5
335.23859	0.8
339.23267	1.2
357.24203	1.2
371.25711	1.1
397.29132	0.9
405.31537	1.0
415.29956	1.8
423.32709	2.2
433.31070	6.0
451.32220	8.7
469.33221	4.4
487.34088	1.0
515.37561	2.2
521.69220	0.9
525.35822	21.5
543.36871	100.0
544.37567	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87741	1.2
53.03942	4.2
55.01879	1.9
55.05516	11.5
57.92121	1.3
59.05008	1.3
62.29672	1.3
66.79767	1.3
67.05507	12.5
69.03424	6.2
69.07065	10.5
70.06592	4.8
71.04981	5.2
71.52529	1.7
77.66811	1.3
79.05500	15.6
81.03403	5.6
81.07059	34.0
83.04972	4.0
83.08607	3.4
85.02908	14.0
85.06541	9.6
87.00816	4.7
91.05486	22.2
93.07052	32.7
95.04970	3.8
95.08610	26.2
97.02891	6.1
97.06544	3.5
99.04473	12.2
101.06019	6.2
103.05464	2.6
105.01861	5.8
105.07036	75.4
107.08598	33.7
109.02881	4.3
109.06505	3.9
109.10159	17.0
111.08069	1.8
115.05499	2.0
117.07025	8.1
119.08587	74.3
121.06532	1.9
121.10151	43.6
123.08054	2.6
123.11704	3.0
127.03915	8.9
127.07532	1.9
129.07043	1.7
131.08592	11.6
132.09433	1.4
133.10139	18.7
135.08064	4.1
135.11728	7.7
137.05972	1.9
137.09671	2.9
143.08582	7.4
145.05009	2.9
145.10138	32.6
147.11702	68.3
149.09584	4.2
149.13242	1.4
151.11171	4.6
153.09094	3.2
155.08540	5.3
157.10072	7.5
159.02870	2.6
159.11732	16.8
161.09633	2.3
161.13287	10.2
163.11203	1.4
163.14861	1.5
167.10672	8.6
169.10109	10.5
171.11707	3.2
173.09628	2.3
173.13272	11.4
175.11192	3.8
183.11688	7.1
187.11203	5.8
187.14890	3.9
191.10716	2.3
197.13228	3.8
199.15025	3.1
201.12741	4.2
201.16411	14.3
203.17976	2.6
205.12251	5.8
215.14355	1.5
219.13867	1.9
225.16405	16.0
243.17468	12.9
243.21074	3.9
261.18509	100.0
261.21921	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01875	3.1
55.05516	20.4
57.03446	6.1
57.07083	2.3
65.03945	1.5
66.62616	1.0
67.05511	43.0
69.03436	2.6
69.07071	11.5
69.38446	3.5
69.38872	4.0
71.04987	3.3
71.45929	0.9
72.31668	1.0
77.03911	1.1
79.05499	42.6
81.02944	1.0
81.03425	31.4
81.07060	42.9
83.04982	7.5
83.08627	14.5
85.02918	13.8
85.06541	2.0
91.05489	36.2
93.07050	40.2
95.04977	15.7
95.08616	25.0
97.06522	3.7
97.10197	5.4
97.10706	0.9
98.20714	1.5
103.05447	1.2
105.07046	21.9
105.07710	0.7
107.04968	3.4
107.08605	19.5
109.06548	3.0
109.10171	12.8
111.04501	1.0
111.08100	6.1
115.05482	1.4
117.07020	7.3
119.08588	17.4
121.06511	2.1
121.10151	16.6
123.08121	1.2
123.11738	3.6
125.09628	3.8
129.07018	7.8
129.25616	1.0
131.08565	15.9
133.06546	1.6
133.10129	13.4
135.11681	7.0
137.09677	1.3
142.07791	2.2
143.08575	1.7
145.10109	7.9
147.08029	2.0
147.11710	10.7
149.09615	3.3
149.13245	4.0
155.08498	1.1
157.10109	6.6
159.11758	3.7
161.13287	3.2
163.11172	1.1
163.14877	1.2
165.12784	2.0
169.10168	1.7
171.10312	1.0
171.11763	3.0
173.13321	4.2
173.15369	0.9
175.11176	5.9
175.14894	1.3
183.11659	1.5
187.14845	1.6
189.11212	2.3
193.12270	26.9
195.11714	1.4
198.52019	0.9
211.13290	31.0
227.12779	2.4
243.21165	2.0
249.14723	1.2
261.22256	5.1
267.15936	5.3
283.42267	1.0
301.22189	1.0
301.25336	4.1
317.24664	1.6
335.25769	5.5
435.32632	3.3
453.33786	3.1
471.35300	2.0
509.36420	1.4
520.91071	1.1
527.37335	16.2
545.38428	100.0
546.39087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01863	3.0
55.05513	21.6
57.03438	9.2
57.07058	1.3
65.03933	1.8
67.05508	46.9
69.03434	2.6
69.07072	12.3
70.91969	2.9
71.04982	4.4
79.05495	39.6
81.02939	1.1
81.03419	30.6
81.07060	48.3
83.04990	6.0
83.08628	13.9
85.02907	11.0
85.06541	1.6
91.05480	27.6
91.06026	1.8
93.07047	37.2
95.04974	16.2
95.08604	26.7
97.02897	2.0
97.06521	4.8
97.10174	8.5
105.07031	26.2
105.07701	2.3
107.04964	4.2
107.08595	20.6
109.06530	3.1
109.10168	13.5
111.08067	6.9
113.05997	2.2
115.05495	1.7
117.07018	7.4
119.08581	21.8
121.06496	2.6
121.10142	16.4
122.72687	1.0
123.08076	2.5
123.11749	5.2
125.09651	4.8
129.07042	7.7
131.08569	17.4
133.06541	2.3
133.10114	11.0
135.08076	1.7
135.11690	7.2
137.09644	2.0
142.07841	1.5
143.08566	3.3
145.10121	7.8
147.08069	2.5
147.11665	11.4
149.09650	3.8
149.13327	3.4
151.11145	1.2
155.08533	2.3
157.10135	9.6
159.11699	8.9
161.13289	4.1
163.11168	3.4
165.12744	1.4
169.10149	2.6
171.11699	3.0
173.11868	1.2
173.13219	5.4
175.11217	5.5
175.14725	2.0
177.12801	1.1
183.11623	1.7
185.13243	2.3
187.14850	3.0
189.11174	2.2
193.12241	22.6
199.14824	2.1
211.13275	27.4
227.12769	5.3
249.14917	1.5
261.22238	5.3
267.15891	8.9
285.22260	2.2
299.23630	1.7
301.25342	4.7
303.23209	2.5
317.24796	1.7
323.76004	1.1
335.25882	8.7
361.25049	1.1
365.18344	1.1
435.32596	5.0
453.33957	5.4
471.35092	5.3
509.36133	1.3
527.37292	28.0
545.38403	100.0
546.39111	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.2
55.01866	2.6
55.05271	1.5
55.05515	19.5
57.03441	7.7
57.07069	2.2
57.20823	0.9
58.53829	0.9
63.53654	0.9
65.03944	4.1
67.05508	45.2
68.31155	1.0
69.03431	3.3
69.07070	12.1
70.72055	0.9
70.80437	2.0
70.80761	1.5
71.05003	4.7
77.94331	0.9
79.05499	44.6
80.60896	0.9
81.03423	34.4
81.07060	42.8
83.04985	8.0
83.08624	16.8
85.02908	17.1
85.06536	2.8
91.05486	37.8
93.07048	43.0
95.04976	18.7
95.08612	28.8
97.02889	1.7
97.06524	3.1
97.10188	7.2
99.08087	1.6
105.04527	1.5
105.07036	25.9
107.04967	4.3
107.08605	20.0
109.06525	3.7
109.10153	12.2
111.04472	2.3
111.08088	6.7
113.05994	2.0
115.05433	1.7
117.07021	6.2
119.08596	20.1
121.06499	2.6
121.10146	18.1
121.10949	1.7
123.08054	2.3
123.11707	3.7
125.09629	3.2
129.07030	6.3
131.08566	16.4
133.06522	2.3
133.10147	12.0
135.11699	9.7
137.09628	2.1
137.13280	1.0
142.07841	1.4
143.08560	3.3
145.10106	8.1
147.08067	2.6
147.11697	10.9
149.09642	4.4
149.13283	3.6
155.08565	2.4
157.10127	10.3
159.11685	4.7
161.13266	3.1
163.14885	2.0
165.12775	2.2
169.10204	1.5
171.11702	2.1
173.13216	4.5
175.11227	7.8
185.13304	2.2
187.14893	2.3
189.11208	2.0
189.16408	1.2
193.12245	29.6
195.11794	1.1
197.13304	1.2
199.14952	1.9
209.31798	1.0
211.13304	34.8
215.17859	0.9
227.12843	3.1
243.21149	1.4
261.22208	6.6
267.15854	7.7
285.22333	1.5
301.25211	4.6
316.32935	1.1
317.24664	1.9
335.25922	5.0
371.33356	0.9
385.32919	0.9
435.32639	3.6
442.38525	0.9
453.33670	2.0
471.34958	2.5
509.36325	1.1
527.37402	17.0
545.38403	100.0
546.38831	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
53.03948	4.0
53.04144	0.7
54.51474	0.8
55.01867	2.5
55.05515	18.2
55.50418	0.8
57.03442	7.2
57.07064	1.8
59.04988	0.9
65.03928	2.2
66.30350	0.8
66.44571	0.6
67.05509	38.5
69.03446	3.9
69.07073	8.5
70.05767	0.8
70.76328	1.8
71.05006	4.6
77.03917	1.5
79.05499	37.9
80.27317	0.7
81.03426	31.0
81.07063	36.3
83.05006	6.1
83.08624	14.4
83.28800	0.7
83.60606	0.7
85.02915	14.3
85.06544	1.9
91.05486	31.4
93.07050	38.1
95.04975	15.2
95.08611	22.6
97.02878	1.5
97.06527	4.8
97.10188	5.3
99.08111	1.8
105.04546	1.0
105.07042	24.6
107.04952	3.9
107.08604	17.7
109.06527	3.2
109.10164	6.5
111.04450	1.2
111.08085	5.9
115.05436	1.2
117.07003	6.0
119.08581	18.0
121.06496	1.2
121.09319	1.5
121.10150	16.7
123.08051	1.3
123.11698	4.2
125.09696	2.1
129.07033	6.3
131.08594	14.1
133.06471	1.9
133.10141	10.5
135.08063	1.2
135.11711	8.5
137.09546	1.1
142.07809	1.8
143.08611	1.8
145.10133	8.7
147.08026	1.3
147.11702	10.3
149.09616	3.2
149.13284	3.1
155.08580	1.6
157.10144	7.2
159.11694	4.9
161.09598	0.8
161.13293	3.5
165.12828	1.4
169.10201	1.4
171.11688	1.5
173.13255	4.2
175.11186	6.7
175.14874	2.1
181.10228	1.0
183.11743	1.1
185.13310	2.1
185.43848	0.8
187.13210	0.8
187.14888	2.2
189.11208	1.0
193.10458	1.4
193.12253	26.9
199.14865	1.1
201.16478	1.4
211.13307	33.4
227.12782	1.8
243.21010	0.8
261.22189	3.5
267.15939	6.3
279.23315	0.9
285.22144	2.0
301.25330	2.2
303.23157	1.1
317.24716	1.6
335.25830	2.7
359.25879	1.2
435.32632	3.9
435.77313	0.8
453.33798	4.5
471.34833	1.4
509.36005	1.2
527.30157	1.1
527.37427	16.4
528.38190	1.0
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	546.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75234	0.4
53.03944	1.2
65.03943	0.7
69.03425	2.1
69.63303	2.2
69.97921	0.3
71.04984	0.8
79.05487	0.6
81.03427	3.1
81.07036	0.7
83.01389	0.3
85.02908	1.7
91.05474	7.2
93.07048	1.8
95.04983	0.4
97.02903	7.9
99.04461	1.3
103.05468	1.4
106.85737	0.4
109.02869	3.6
119.04950	10.7
121.06523	6.7
127.03910	6.6
128.04955	14.1
128.05907	0.7
131.01500	0.4
131.04881	0.7
137.06020	0.8
146.06013	100.0
147.04420	10.3
147.06216	0.5
149.05986	4.8
156.04468	1.3
163.03908	0.6
165.05482	4.6
169.07663	0.9
174.05511	89.2
175.03986	1.9
175.05409	0.3
182.66866	0.4
193.04973	3.8
211.06018	0.7
216.06642	0.6
270.07608	1.0
282.07654	0.7
300.08673	65.7
318.09741	15.5
336.10846	3.2
510.13745	0.4
528.15015	1.2
540.90869	0.4
546.16022	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	547.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
54.68066	0.8
55.01880	5.5
55.05515	39.7
57.03196	1.2
57.03441	16.1
57.07076	8.2
59.05004	1.0
60.28120	0.8
64.21371	0.8
65.03937	3.7
67.05508	84.2
68.05807	1.2
69.03416	3.3
69.07072	32.2
69.18282	0.7
71.05006	6.0
71.08639	4.3
72.04526	6.6
73.04850	1.0
74.09741	1.1
79.05495	45.4
81.03422	63.0
81.07059	84.1
82.07413	1.2
83.04984	7.8
83.08619	34.7
85.02894	4.2
85.06544	4.3
85.10182	1.3
91.04904	1.1
91.05486	35.7
93.07049	42.0
95.04974	32.7
95.05576	1.8
95.08612	57.9
97.02897	2.3
97.06549	8.9
97.10164	20.1
98.20788	1.8
99.08122	1.9
103.05453	1.1
105.04520	1.0
105.07036	33.9
107.04972	10.8
107.08600	25.5
109.06524	5.9
109.10160	28.1
111.04450	2.2
111.08100	9.1
111.11725	2.3
113.09646	1.5
115.05451	2.2
117.07014	8.2
119.04941	1.8
119.08592	24.9
121.06493	7.6
121.10150	17.0
123.08039	4.3
123.11721	9.4
125.09641	12.7
127.11277	1.0
128.06261	1.2
129.07011	9.7
131.08582	15.8
133.06502	3.2
133.10129	16.0
135.08057	3.3
135.11694	12.0
136.12047	0.8
137.09619	3.6
137.13269	3.4
141.07013	1.4
142.07823	2.6
143.08539	5.1
145.10143	11.6
147.08058	3.6
147.11702	12.4
149.09642	3.8
149.13261	5.8
151.11215	2.3
151.14818	1.8
155.08533	1.8
157.10162	9.6
159.08054	1.2
159.11699	5.1
161.13258	4.8
163.11188	6.1
163.14830	3.8
165.11530	0.9
165.12798	3.4
169.10214	1.6
171.11702	2.7
173.09500	1.2
173.13284	3.4
175.11172	7.2
175.14851	4.5
177.12746	2.1
177.16397	2.6
179.14418	1.1
181.10245	1.2
181.12225	1.1
183.11717	1.2
185.13245	1.5
187.11237	1.6
187.13329	1.8
187.14896	2.0
189.08893	1.1
189.09708	1.1
189.11203	6.9
189.16458	2.1
191.10692	1.7
193.12260	24.9
193.16026	1.2
195.11732	2.0
197.13316	1.1
199.14833	2.6
201.12883	0.9
201.16469	2.0
203.17978	1.2
205.12276	2.8
205.15939	1.0
211.13287	7.2
213.12863	1.2
215.14412	1.0
215.18013	1.4
217.15967	0.9
217.19502	1.4
219.13898	0.8
219.17358	0.9
223.13135	1.5
227.12753	12.1
228.13162	1.5
229.19572	1.0
231.17508	1.5
241.18040	1.6
243.15941	1.3
245.22603	5.3
249.14830	4.6
255.19576	1.7
261.18839	1.0
263.23712	9.4
267.15921	58.1
269.22733	1.2
275.20157	2.6
285.25745	1.2
287.23746	2.4
289.21570	3.9
301.25226	2.0
303.23428	1.6
303.26724	10.0
305.24741	1.1
319.22791	0.8
319.26382	1.1
329.24936	1.3
337.27393	51.0
339.28976	0.9
343.22772	1.1
343.26581	0.9
349.24124	1.2
361.27505	2.4
363.25568	1.9
377.26700	0.8
397.25516	1.2
403.24872	1.8
417.25977	1.1
419.33163	1.6
421.25876	3.2
427.35706	1.1
435.27219	1.7
437.34082	6.1
455.35239	17.4
473.36227	11.2
491.37549	1.5
503.37631	1.5
511.38080	1.9
529.38922	78.8
547.39948	100.0
548.40466	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.3
54.29593	2.2
55.01860	6.5
55.05273	2.9
55.05513	33.8
57.03432	12.6
57.07071	4.1
65.03927	3.6
67.05505	96.3
69.03436	3.1
69.07067	28.9
69.19451	13.0
69.19871	10.8
71.04993	5.2
71.08624	2.8
75.43738	2.7
79.05497	49.7
81.03425	16.9
81.07057	100.0
81.07537	5.1
82.97746	2.3
83.04978	6.3
83.08630	23.5
85.06561	4.0
91.05483	48.7
93.06490	4.2
93.07049	61.0
95.04983	15.3
95.08607	56.2
97.06536	9.6
97.10178	8.8
99.08094	4.3
105.04574	3.4
105.07022	35.2
106.14040	2.7
107.04962	5.1
107.08588	44.4
109.06525	4.9
109.10155	28.4
111.08089	6.6
117.07015	9.3
119.08580	27.8
121.06490	3.1
121.10142	30.3
123.08083	3.2
123.11748	11.8
125.09593	3.6
129.07022	7.0
131.08560	25.7
133.10126	19.2
135.08072	3.8
135.11707	17.0
137.09535	2.6
137.13275	3.9
139.11205	3.0
143.08559	7.2
145.10095	19.0
147.08043	3.3
147.11711	19.5
149.09645	4.2
149.13269	20.4
157.10121	7.2
159.11716	17.4
161.13275	8.1
163.11168	5.2
163.14809	5.6
165.12733	2.8
167.14268	2.5
169.10133	4.3
171.11690	6.4
173.13297	5.0
175.11240	2.6
175.14828	2.7
177.12694	2.9
185.13231	3.9
187.14784	4.7
189.11230	2.9
189.16403	3.1
193.12263	7.7
195.13797	10.0
197.13240	3.6
199.14880	3.7
227.12845	3.5
243.20901	2.4
259.20581	2.9
261.22101	13.5
267.15872	16.8
269.17499	26.1
275.20245	2.8
289.21622	3.0
301.25220	2.4
315.23087	2.9
317.24707	3.8
335.25717	25.8
337.27432	13.2
375.29358	2.4
380.37814	2.3
437.34100	9.7
441.19995	2.7
455.35074	10.2
473.36295	7.0
490.68506	2.6
503.37308	4.3
511.38110	4.2
529.38898	84.7
547.26984	4.6
547.39862	67.4
568.95227	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	548.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01868	5.5
55.05511	2.5
57.03439	2.7
61.02929	2.4
65.03934	1.9
67.05512	5.4
68.71189	1.6
68.99809	1.8
69.03442	13.8
69.07079	7.6
70.24653	1.5
71.02859	2.1
71.03199	3.1
71.04987	4.9
73.02903	2.1
79.05505	14.7
81.03426	12.6
81.07068	10.1
83.05000	14.9
85.02917	29.9
85.06545	2.3
87.00842	9.9
91.05495	9.1
93.07059	19.7
95.04971	6.9
95.08601	5.2
97.02904	11.2
97.06543	12.7
99.04453	9.3
105.01864	6.0
105.06393	2.9
105.07047	31.8
107.04976	13.4
107.08591	13.2
109.02888	11.0
109.06548	9.2
111.08123	3.7
113.05956	2.0
117.07005	6.4
119.04967	16.3
119.08585	9.5
121.06535	20.0
121.10158	3.9
123.04383	1.8
124.63467	1.7
125.06003	18.1
127.03933	14.8
127.07643	1.9
129.01851	1.7
129.06960	2.4
130.07858	2.1
131.08578	11.6
133.06520	8.8
133.10179	2.8
135.04483	1.7
135.08055	3.9
135.11703	5.6
137.05986	5.7
139.07536	8.2
141.06989	2.1
143.07039	10.8
143.08582	5.4
145.04962	5.2
145.06473	4.8
145.10143	49.3
147.08061	3.7
147.11743	9.8
151.07574	7.0
154.07788	2.1
155.08633	2.4
157.08664	14.1
157.09933	3.2
158.07289	2.2
159.02864	4.9
159.08084	5.4
159.11713	16.3
161.09607	2.7
161.13295	2.6
163.07533	2.2
163.11195	75.9
165.09113	3.3
165.12749	2.4
169.08797	2.3
169.10165	5.9
171.08028	1.8
171.11696	4.0
173.09644	45.5
175.11157	3.0
177.12779	2.2
182.07277	2.2
183.08025	2.3
187.11206	35.2
189.12753	12.1
191.10706	18.6
195.08113	1.8
195.13876	4.2
197.09653	10.4
199.07510	2.2
199.11256	3.2
201.09200	2.9
205.12271	22.5
207.13791	8.0
209.11801	1.9
215.10715	40.8
223.13210	8.5
227.12769	2.4
231.04967	2.7
233.11752	100.0
239.16347	11.6
241.08644	2.1
241.15683	2.1
249.11176	2.4
251.12808	42.0
265.14456	12.0
269.13855	6.9
281.19177	1.9
283.15421	31.5
295.13281	1.9
299.12561	1.7
299.20172	2.2
300.20438	6.8
302.17114	1.6
323.13232	2.2
341.13739	2.7
359.14847	2.1
463.16125	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	549.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11272	1.9
53.03932	4.3
55.01881	11.1
55.80765	2.2
56.96489	2.0
57.03444	2.5
61.02948	2.4
62.37270	2.1
66.27584	1.9
69.03432	11.1
71.51769	2.5
77.50481	2.2
79.05490	6.4
81.03401	6.6
81.07029	4.5
85.02917	33.6
91.05466	6.4
93.07051	2.8
95.04955	5.8
97.02887	7.3
98.47701	2.1
99.04436	2.6
103.05466	7.0
105.07021	9.6
107.04958	15.3
109.02866	4.4
115.05460	5.5
119.04996	2.6
122.03709	2.3
123.04436	12.0
127.03941	6.5
128.06259	3.4
129.07001	10.0
131.04956	14.9
131.08577	2.3
132.05725	4.0
133.06494	4.1
133.10214	2.1
134.03630	3.2
135.08044	2.4
137.05974	19.8
139.07466	1.9
143.04953	3.7
145.02861	2.4
145.04988	3.3
145.06503	3.9
147.04430	4.8
149.06061	3.0
151.03914	3.2
152.04680	4.8
153.05464	3.9
155.04926	3.9
155.07124	3.3
157.06488	9.5
159.08102	2.1
160.05165	4.4
161.05978	8.4
162.86743	2.2
163.03864	4.2
163.07501	3.9
165.05492	2.8
167.07057	100.0
173.05995	8.3
175.07571	10.6
176.04663	4.9
177.05457	5.4
177.09169	2.0
178.07718	3.0
181.04996	4.1
185.05940	8.2
187.07558	7.7
189.07016	4.1
189.09149	4.2
191.07025	29.4
191.08582	5.1
193.08607	16.1
195.06517	8.1
195.08058	2.1
199.07594	3.5
202.07822	3.4
203.07013	7.9
203.08670	5.0
205.06520	4.6
206.07280	5.0
207.08055	2.8
215.07021	7.7
217.08600	22.0
218.07237	5.8
219.08041	11.7
221.06050	2.9
222.06804	3.5
223.07649	3.0
231.08086	11.2
233.05981	4.6
234.06694	8.1
235.07603	5.9
239.07076	2.5
246.06735	6.6
247.07538	12.3
248.08336	7.5
249.05280	2.3
249.09239	9.7
250.06332	4.3
253.08672	2.8
258.06674	4.5
259.07568	9.1
261.05444	3.6
261.09116	5.7
262.06284	4.1
263.07047	6.8
263.10535	2.6
264.07822	8.7
265.08539	5.9
267.10248	3.9
273.09341	2.2
275.07065	10.0
276.07858	12.3
277.08704	14.0
278.09406	5.9
279.07315	2.2
279.10202	12.8
281.08438	2.6
281.11819	2.5
287.07022	9.4
289.08539	6.2
290.05939	2.6
290.09363	5.1
291.06879	4.0
291.10123	15.2
292.07278	6.5
293.08057	7.5
294.08813	2.2
295.09549	5.3
296.10535	2.8
297.11401	2.4
304.07242	7.3
305.08130	31.2
306.08862	6.6
307.09607	18.1
308.10336	3.8
309.11185	7.0
315.95175	2.4
319.09686	28.0
321.07855	3.4
321.11203	14.4
322.08350	6.2
324.09976	4.0
325.10803	3.5
327.12292	7.0
336.09769	4.8
337.10718	48.3
339.12292	26.4
351.12274	59.2
353.14014	11.5
357.13400	45.1
369.13403	60.0
371.14801	4.7
387.14355	28.8
478.16541	3.0
520.25519	2.7
549.19879	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	549.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01863	0.4
55.05502	0.3
57.03439	0.9
65.03931	1.0
67.05479	0.4
69.03433	3.6
70.06594	0.5
70.41776	0.9
70.42130	0.5
71.05000	1.0
73.02924	0.5
79.05485	1.4
81.03411	1.3
81.07047	0.9
83.04951	0.5
85.02914	6.0
91.05479	1.4
93.07034	0.7
94.04214	2.2
94.66427	0.3
95.04990	0.7
95.08617	0.4
97.02910	3.0
97.06564	0.6
98.19026	0.4
99.04447	0.5
103.05473	0.4
105.07061	2.1
105.39861	0.3
107.04971	1.0
107.08608	0.9
108.02110	0.5
109.02863	0.9
109.06519	0.6
115.05453	2.1
117.07025	1.9
119.08589	1.3
121.06546	0.5
122.03658	5.8
123.08115	1.0
124.05223	0.4
125.06023	0.6
127.03920	1.7
131.04953	0.7
133.02965	0.4
133.06548	0.6
133.10158	0.4
137.05989	100.0
142.02545	0.4
143.04941	3.4
145.05005	1.5
145.06464	2.3
145.10176	0.5
147.08118	0.6
147.11703	1.9
149.09637	0.4
151.03943	3.2
151.07561	1.4
153.05431	0.9
155.06027	0.8
161.05940	0.4
163.03931	1.0
163.11143	0.7
165.05374	0.4
165.06830	0.3
165.12813	1.7
167.07065	10.8
171.04480	0.4
171.06609	0.7
173.06000	3.8
175.07574	1.4
181.04973	16.1
189.12810	0.9
191.07077	1.3
203.07022	1.0
205.08612	2.8
207.13846	3.3
221.07994	0.5
225.14900	1.3
233.08119	1.0
235.09677	2.9
342.41318	0.6
357.13348	13.8
369.13556	0.6
387.14526	8.9
387.19794	0.6
519.18530	1.0
548.47888	0.4
549.19659	51.1
550.19818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01881	0.4
55.75217	0.2
57.03431	0.8
65.03935	0.6
66.04713	0.3
67.05502	0.3
69.03437	2.0
69.81236	0.2
71.43378	0.4
73.04417	0.2
74.04797	0.2
74.09734	0.3
76.41078	0.2
79.05486	0.9
81.03423	0.8
81.07043	0.4
85.02918	3.7
87.04443	0.3
91.05486	0.8
94.04188	2.0
96.27333	0.2
97.02889	1.2
97.06540	0.4
99.04455	0.4
100.08000	0.2
103.05505	0.4
107.04935	0.5
107.08589	0.3
109.02902	0.6
110.03647	0.3
115.05476	1.3
117.07043	1.6
119.08584	0.4
120.20453	0.2
120.67487	0.2
121.06529	0.3
121.10206	0.3
122.03658	5.7
123.04301	0.2
125.05946	0.3
127.03919	0.8
131.08556	0.3
133.06485	0.4
133.10129	0.4
135.04436	0.3
137.05991	100.0
142.02635	0.5
143.04942	2.4
145.04968	0.4
145.06509	2.1
147.08025	0.3
151.03920	2.3
151.05023	0.4
151.07526	0.3
153.05498	0.3
155.06085	1.0
161.05989	0.4
163.03944	0.3
163.11218	0.3
167.07062	8.2
171.04448	0.4
171.06619	0.3
173.05994	3.7
175.07605	1.2
181.04971	14.6
189.12711	0.2
203.07083	0.8
205.08623	2.4
207.13850	1.8
221.08163	0.4
232.43520	0.2
233.08102	1.2
235.09671	2.9
253.58691	0.3
357.13361	12.3
387.14435	8.0
387.18872	0.2
519.18665	1.6
549.19702	48.3
550.20282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01875	5.3
55.05512	25.7
55.40923	2.3
57.03438	22.7
57.07055	5.2
58.03753	2.9
65.03941	3.0
67.05511	91.3
68.05826	2.5
69.06733	3.2
69.07073	30.1
69.49223	16.6
71.01359	3.7
71.04978	4.0
79.05495	64.5
81.03425	16.8
81.06602	3.4
81.07061	64.3
82.07376	4.0
83.04976	13.3
83.08629	15.4
85.06551	5.4
91.05489	31.5
93.07049	81.0
93.07641	4.1
95.04974	10.7
95.08617	43.6
97.06528	13.2
97.10181	13.8
105.07025	16.1
107.04980	2.8
107.08592	52.3
108.10960	2.3
109.06522	3.1
109.10160	20.9
111.08109	4.6
117.07029	10.3
119.08585	16.8
121.10159	26.8
123.08104	2.4
123.11714	3.3
125.09689	2.6
131.08572	11.2
133.10146	10.6
135.08035	2.3
135.11699	57.6
145.10146	12.7
146.01939	2.3
147.11713	6.6
149.13220	6.1
153.12772	3.3
159.11705	5.0
161.13263	5.4
163.11217	6.7
163.14767	3.1
173.13310	4.8
181.12222	14.8
193.12334	4.5
199.13344	3.0
222.27196	2.4
243.21095	4.1
255.15921	100.0
255.18605	5.2
261.22208	14.2
267.15927	4.9
268.16348	4.7
306.10672	3.0
315.49634	3.1
317.24680	3.7
335.25812	71.8
340.29236	4.0
352.16016	2.4
367.14932	2.8
497.71127	2.5
515.37360	98.7
532.40552	14.2
550.25446	5.0
550.41766	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	551.1034
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03950	2.1
55.01871	1.8
56.51878	0.2
57.03436	1.2
57.11491	0.2
61.02916	1.1
68.99779	1.5
69.03432	7.2
69.72475	1.2
71.04980	1.2
73.02916	1.3
81.03423	8.4
83.01339	0.3
85.02908	11.2
87.00316	0.3
87.00832	5.5
91.03934	0.5
95.08622	0.3
97.02898	3.8
99.04455	2.9
100.25508	0.2
103.03909	0.2
105.01869	2.5
105.07070	0.3
105.67402	0.2
109.02883	6.9
111.00796	0.9
117.01849	1.2
117.37849	0.2
121.02856	1.0
127.03923	9.1
129.01823	0.9
137.02345	2.3
137.05946	0.3
145.04970	3.6
147.02888	0.7
149.02298	0.6
153.01839	3.8
159.02898	4.9
163.03955	0.6
164.07016	0.2
165.01828	1.8
182.24092	0.2
183.02922	0.8
183.46519	0.2
201.05469	1.7
215.07959	0.2
228.04190	0.4
229.04976	4.1
231.04964	1.4
233.32413	0.2
241.09869	0.3
247.05907	0.6
253.43697	0.2
257.04401	2.6
274.04822	0.7
283.10828	0.3
285.03882	1.2
303.04993	100.0
304.05347	0.4
312.25845	0.2
345.05936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	13.4
56.96819	1.4
57.03429	0.9
58.69825	0.8
58.83975	0.7
61.02923	1.6
63.32060	0.8
66.07806	0.9
66.68405	0.9
69.03436	2.9
69.35361	6.8
73.02938	1.0
73.92855	0.9
83.49446	1.0
84.96039	6.1
85.02910	9.3
86.97610	1.2
97.02923	4.2
98.97588	40.3
110.97573	20.2
112.99119	2.6
116.98626	6.9
124.99166	3.2
127.03928	1.9
128.98615	9.2
131.00246	1.1
132.98187	1.0
135.04422	1.6
137.06007	3.4
139.00696	2.7
140.98619	2.6
141.02266	2.6
141.09174	1.1
143.00171	4.8
145.02896	0.9
145.05022	1.6
146.99673	2.7
147.03351	1.3
149.06006	1.1
152.98618	1.8
157.01773	1.3
158.99673	12.5
159.03340	1.7
161.01270	2.5
163.03960	7.8
167.03838	3.7
167.07059	1.6
170.99667	3.3
177.00789	5.4
177.05513	2.1
179.03854	2.7
182.99733	0.9
185.04865	18.3
189.00768	2.0
189.05989	1.3
195.03293	1.5
197.04871	29.9
199.06456	22.4
201.00703	4.9
203.05914	9.3
208.43298	1.0
213.04424	1.4
215.05890	17.9
217.07475	12.3
219.01770	22.0
221.04831	7.7
223.05650	2.0
227.05963	1.6
233.07051	3.2
237.02802	14.2
237.04796	0.9
239.05931	100.0
241.07483	1.4
243.05588	1.5
257.06989	42.6
259.06631	2.8
269.07132	2.7
271.08563	1.1
275.08099	7.3
281.07166	1.4
287.08289	1.4
299.05023	1.1
299.08026	6.0
301.09509	1.1
304.08142	1.3
317.09250	1.9
327.03912	1.1
329.09149	1.9
359.10132	72.8
360.10309	1.0
362.40457	1.0
374.12338	1.9
374.62552	2.8
377.11197	54.2
387.09601	5.9
390.62479	1.1
400.12927	1.7
405.10910	2.2
422.09778	5.4
429.14755	1.3
435.11673	13.8
435.16977	1.3
461.17255	2.4
475.14929	53.2
489.16708	1.6
515.14154	1.1
533.15533	1.1
551.16620	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2127
Annotation	Scorzonoside
Peak:m/z	Relative Intensity
53.03937	0.4
55.01882	4.6
57.03439	0.8
61.02913	0.9
62.54227	0.4
65.03941	1.4
67.05502	1.0
69.03439	5.0
69.69146	0.4
70.91489	0.9
71.05004	0.5
73.02903	0.6
78.04693	0.6
79.05485	2.3
81.03427	2.7
81.07082	0.8
85.02914	6.2
87.04475	0.7
88.01670	0.4
89.03912	1.3
91.05505	2.6
93.07052	1.3
95.04985	1.6
97.02911	3.0
98.77728	0.4
103.05470	6.7
103.87090	0.5
105.04573	0.8
105.07029	1.5
105.40385	0.5
106.04160	0.8
107.04967	4.9
109.02850	1.1
109.06538	0.5
115.05464	1.1
117.03354	1.1
117.07002	0.6
121.06522	3.8
122.03639	1.7
123.04438	2.8
124.05230	0.9
127.03938	1.3
128.06215	2.0
129.07004	11.0
131.04930	7.1
131.08560	1.8
133.06461	1.3
134.03607	1.1
135.04468	0.5
137.05988	22.3
138.06337	0.8
140.04710	0.7
141.06984	0.7
142.02695	0.7
145.06496	2.0
147.04428	1.1
148.05139	0.8
149.05992	10.0
151.03944	2.5
151.07512	3.0
153.05502	1.4
155.05951	0.6
155.07050	1.3
157.06496	10.2
158.07239	0.5
159.03207	0.5
159.04402	2.5
159.08081	1.1
160.05222	0.6
161.06032	3.6
163.03923	1.5
163.07562	4.2
165.05548	1.0
167.07048	39.7
171.06583	0.6
172.05214	0.7
173.05923	0.8
174.06789	2.9
175.07582	3.0
177.05487	20.5
177.09215	0.5
181.04958	12.7
181.06541	0.7
181.08620	0.8
183.06573	0.8
185.06007	2.9
187.07597	0.9
189.09122	11.4
191.06964	0.8
191.10709	1.5
193.08623	0.9
199.07512	1.2
201.09151	0.8
203.06938	1.0
203.08733	0.6
203.10609	0.7
205.08607	0.9
209.08136	3.4
212.50604	0.5
215.08583	1.0
215.74324	0.4
217.08586	6.6
218.07272	1.1
219.08127	0.6
219.10149	1.3
221.07999	0.6
223.87042	0.5
233.09596	1.6
234.06749	0.6
235.07533	0.9
235.09668	0.8
246.06677	1.0
247.07588	0.8
249.09076	1.1
261.09134	4.2
262.10004	0.6
263.06866	0.7
263.10977	0.5
277.08670	1.5
278.09384	1.3
279.10278	1.0
289.08609	1.5
293.11682	1.8
295.43692	0.5
303.10104	0.6
306.09003	0.6
307.09784	2.5
309.11191	0.5
321.11237	3.5
322.12112	1.0
339.12375	0.9
341.13657	0.8
353.13843	0.8
359.14813	1.8
371.14908	100.0
372.15152	0.8
373.16544	0.5
389.15710	1.5
509.30038	0.5
551.20984	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	551.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68696	0.5
53.03944	1.4
55.01682	0.4
55.01876	5.0
57.03427	1.0
61.02923	1.4
63.29750	0.5
64.00897	0.5
64.96880	0.6
65.03935	1.6
67.05495	2.3
69.03439	6.4
69.14246	4.4
69.14664	1.7
71.04975	0.6
73.02913	0.9
77.03917	0.6
78.04694	1.0
79.05502	3.1
81.03410	2.2
81.07047	1.9
85.02909	8.0
85.06538	1.1
87.04440	0.7
88.15052	0.5
89.03932	0.9
89.94196	0.5
90.53444	0.5
91.05499	3.5
93.07048	2.3
94.04173	0.9
95.04969	1.8
95.08605	1.2
97.02908	3.0
99.04375	0.7
103.05485	5.5
103.49097	0.6
105.07027	2.1
107.04963	5.9
107.08591	0.9
109.02868	1.1
109.06506	0.7
110.03701	0.8
111.04442	0.6
115.05455	1.5
117.03399	1.4
117.07045	1.0
119.04934	0.7
121.06505	4.4
121.10143	0.9
122.03671	1.2
123.04430	2.9
123.08063	0.8
124.05210	1.5
125.05990	0.7
127.03928	1.9
128.06253	2.7
129.07014	10.4
131.04930	8.5
131.08563	2.0
133.06502	1.7
133.10179	1.0
135.04385	0.9
135.11728	0.6
135.37341	0.6
137.05994	25.7
140.04694	1.1
141.06932	1.0
142.07823	0.7
143.04904	0.9
145.02859	0.6
145.06519	1.7
147.04417	2.3
149.06000	11.5
151.03915	2.4
151.07535	3.3
152.04686	1.0
153.05534	1.2
155.07065	0.9
157.06512	10.6
158.07257	0.9
159.04405	2.1
159.08075	1.3
160.05302	0.7
161.05992	3.3
161.09622	0.9
162.06793	0.9
163.03917	2.0
163.07547	6.3
165.05542	0.8
167.07063	45.6
171.06604	0.6
173.05978	1.0
174.06786	4.4
175.07591	3.1
177.05490	22.0
181.04971	15.5
185.06020	2.2
187.07559	1.8
189.05518	0.9
189.09131	13.2
191.06950	1.0
191.10583	1.3
193.08681	0.7
195.06487	0.7
199.07628	0.9
201.09079	0.8
203.07024	0.8
203.10847	0.6
204.07767	0.6
205.08577	1.3
209.08110	4.1
215.08673	0.9
217.08611	9.3
218.07281	1.4
219.08246	1.1
219.10210	2.1
231.08203	1.0
232.08788	0.6
233.09668	1.9
235.09749	0.9
246.06874	0.8
247.07530	1.0
248.08347	0.8
250.10033	1.0
260.48251	0.5
261.09198	3.3
262.09900	0.7
263.07013	1.0
277.08679	1.4
278.09317	1.5
279.10092	0.6
285.20663	1.0
289.08704	1.1
293.11594	2.8
306.08810	1.1
307.09567	1.4
321.11282	5.2
322.11765	1.0
339.12296	1.9
355.15485	0.7
356.75177	0.7
359.14813	1.5
371.14923	100.0
372.15244	1.1
389.16183	2.9
438.61746	0.6
486.71329	0.7
530.30798	0.6
551.21069	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	551.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
53.21579	0.3
55.01880	4.2
57.03412	0.9
61.02917	1.2
62.84497	0.3
65.03933	1.2
67.05504	1.1
69.03434	5.1
69.50312	0.7
69.50727	1.7
71.04994	0.6
75.31556	0.3
78.04681	0.5
79.05507	1.9
81.03414	2.4
81.07042	1.0
82.43970	0.3
85.02908	6.2
86.09712	0.5
87.04456	0.6
89.03916	0.8
91.05476	2.1
93.07033	1.5
94.04182	1.0
95.04963	2.1
95.08601	0.4
97.02900	2.9
99.04424	0.5
103.05475	5.9
105.04533	0.4
105.07043	1.4
106.04164	1.0
107.04960	4.8
107.08625	0.6
109.02883	1.0
109.06508	0.8
110.03656	0.9
115.05441	1.2
117.03363	1.2
117.07016	1.0
119.04948	0.8
119.08575	0.4
121.06506	3.5
122.03655	1.5
123.04433	3.2
124.05193	1.7
127.03875	0.9
128.06216	2.6
129.06999	11.6
131.04932	8.3
131.08578	2.0
133.06528	1.1
134.03654	0.5
135.04417	0.7
137.05978	23.1
140.04633	0.6
141.06969	0.7
143.04956	0.5
143.08626	0.4
144.05698	0.4
145.02866	0.6
145.04988	0.6
145.06488	1.7
146.03641	0.4
147.04417	1.5
148.05202	0.5
149.05988	9.7
151.03932	2.9
151.07535	3.8
152.04646	0.8
153.05511	0.9
155.05975	0.5
155.07053	0.9
157.06505	10.7
158.07286	0.8
159.04416	2.3
159.05585	0.5
159.08080	1.2
160.05186	0.5
161.05989	3.4
161.09634	0.4
162.06763	0.7
163.03889	1.6
163.07547	5.7
165.05473	1.2
167.07042	43.1
167.49976	0.4
171.06511	0.5
171.07970	0.4
173.06006	0.8
174.06761	4.0
175.07542	2.8
176.04694	0.4
177.05475	21.1
179.06995	0.7
180.63794	0.4
181.04958	13.3
181.08553	0.8
183.06480	0.7
185.05995	3.3
187.07503	1.5
189.05453	0.8
189.09111	11.2
191.07076	1.1
191.10631	1.6
193.08705	0.8
199.07558	1.4
201.09201	1.0
203.07007	1.1
203.08714	0.5
203.10655	0.5
205.08611	1.3
209.08081	4.2
215.08548	0.7
217.08606	6.9
218.07285	1.0
219.08244	0.7
219.10051	1.6
221.08031	0.7
231.08026	0.8
233.09875	1.7
235.07584	0.8
235.09564	0.8
243.08505	0.4
246.06712	0.8
247.07629	0.6
249.09317	0.5
250.09918	0.6
261.09125	4.1
275.10840	0.5
277.08615	1.6
278.09439	1.1
279.10294	0.8
289.08636	0.7
291.10162	1.0
292.10938	0.4
293.11597	2.2
303.04712	0.4
303.09979	0.5
306.08942	1.0
307.09601	1.5
309.11148	0.7
321.11176	3.9
322.11908	1.6
323.12698	0.5
339.12231	1.6
341.13907	0.7
353.13889	1.6
355.15344	0.6
359.14874	1.5
371.14893	100.0
372.15179	0.7
373.16449	0.5
389.16144	2.7
551.20715	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	551.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.5
69.77697	2.4
79.05517	0.7
81.03426	0.5
81.07058	0.4
85.02901	0.7
91.05488	1.2
98.21498	0.9
99.59007	0.4
105.07056	0.8
109.02896	0.6
109.06531	0.5
113.02829	0.4
115.05448	1.0
117.07023	1.6
118.06545	17.3
130.05609	0.5
130.06573	1.3
132.08101	5.3
137.06061	0.5
142.06497	1.6
143.07271	2.1
144.04434	0.5
144.08093	11.9
146.06017	65.1
147.04446	0.8
147.06377	0.8
148.47327	0.5
159.09183	6.6
160.07480	0.6
161.05951	1.0
163.03891	0.8
170.06009	3.8
175.03864	0.5
179.07065	2.5
188.07074	100.0
189.07361	1.7
190.07729	0.6
193.04915	0.7
197.08002	0.5
205.09735	48.2
206.10040	0.9
339.10501	0.7
428.39151	0.4
551.78503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.01874	2.5
55.05511	2.9
56.89076	1.5
57.03437	5.5
61.02910	4.1
67.05485	1.8
69.03445	7.9
69.07072	3.4
71.04987	4.3
79.05500	4.4
81.03432	3.3
81.07058	6.4
83.04993	1.7
83.08622	4.7
85.02912	37.3
85.06544	3.4
86.09718	1.8
91.04000	1.4
91.05498	5.0
91.43729	1.6
93.07047	8.2
95.04972	45.1
95.08610	5.6
97.02899	7.5
97.06542	19.0
99.04456	10.7
99.08104	3.2
105.07053	15.0
107.04960	3.6
107.08610	10.5
109.02898	3.6
109.06540	21.5
109.10156	8.3
111.08091	4.5
113.77833	1.4
119.08588	11.2
121.06502	2.9
121.10166	10.1
123.08068	7.1
123.11724	2.1
125.09627	2.4
127.03924	8.2
131.08604	9.7
133.06465	4.1
133.10136	38.9
135.08029	5.6
135.11684	1.7
137.05997	3.4
139.11179	4.4
145.04953	9.7
145.10184	2.6
147.11685	22.7
149.06010	1.7
149.13289	2.2
151.03951	3.1
151.11234	2.2
153.09109	30.1
153.10355	2.0
158.10947	2.4
161.05977	6.3
163.06013	4.4
163.07536	1.6
163.14812	4.0
165.12776	6.6
171.10229	3.2
173.13274	24.7
175.14847	9.4
181.01025	1.5
191.07103	3.7
191.14320	34.1
191.15880	1.3
193.08632	1.7
207.06593	2.0
209.15392	79.9
227.16437	100.0
238.92461	1.6
252.86104	1.6
276.10501	1.7
360.45615	1.7
411.34201	1.8
543.05957	1.7
551.23792	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	551.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05494	3.8
57.03434	4.4
59.05001	1.7
61.02929	2.5
67.05502	2.2
69.03439	8.8
69.07055	4.5
70.50175	2.3
70.50516	2.9
71.04984	5.2
73.02908	1.4
79.05494	4.5
81.03423	2.9
81.07072	6.8
83.04974	3.1
83.08608	4.4
85.02909	36.9
85.06519	2.4
86.09656	1.5
91.03953	1.7
91.05473	5.0
93.07036	5.9
95.04970	39.8
95.08593	5.5
97.02892	9.3
97.06541	18.8
97.66125	1.6
99.04457	11.1
99.08109	2.9
103.05487	3.3
105.07040	14.8
107.08614	11.9
109.02891	3.2
109.06521	22.2
109.10148	6.2
111.08072	2.8
115.05456	2.2
117.07063	1.6
119.08585	9.1
121.06503	1.9
121.10152	10.6
123.08060	6.1
123.11665	3.8
127.03894	6.2
131.08585	8.9
133.06493	2.8
133.09128	2.2
133.10138	36.2
135.08075	4.3
135.11691	3.7
137.05972	2.4
138.50990	1.5
139.11150	3.4
145.04938	11.1
145.10143	4.9
147.11681	23.4
149.13261	2.7
151.03902	4.3
151.07596	1.7
151.11151	1.8
153.09105	32.8
161.05983	5.1
163.06015	5.3
163.07385	2.2
163.14854	3.2
164.07086	3.8
165.12779	5.6
171.10129	3.2
173.11942	2.6
173.13283	24.6
175.14867	8.3
181.57709	1.4
191.06923	2.4
191.14316	35.4
193.08574	2.0
209.15373	73.6
227.16428	100.0
239.46150	1.5
330.07770	1.5
551.25323	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.8
52.93328	1.6
53.03949	4.0
55.05512	13.8
56.48122	1.4
57.07082	8.6
65.03927	2.4
67.05508	25.3
69.07071	19.9
79.05489	21.8
79.11996	1.5
79.96969	1.8
81.03426	3.0
81.07062	38.8
83.08633	9.6
91.05491	36.0
93.06487	3.5
93.07052	56.6
95.04962	3.8
95.08614	51.2
99.83767	1.5
103.05465	3.4
105.07040	69.3
107.08601	54.9
109.10167	44.4
109.67750	1.8
115.05445	3.2
117.07024	11.1
119.08590	100.0
121.10152	46.3
123.08070	1.7
123.11722	14.6
123.57912	2.0
125.09622	2.9
128.06227	4.9
129.07024	8.9
130.07791	6.4
131.08575	27.5
133.10139	55.6
135.11705	39.5
139.11188	1.8
141.06982	3.1
142.07776	12.3
143.08562	23.6
144.09328	5.1
145.10136	68.3
147.11713	21.8
149.09641	3.1
149.13257	5.6
155.08571	7.6
156.09323	10.2
157.10133	40.4
158.10905	6.0
159.10483	2.5
159.11722	36.6
161.13245	10.7
163.11192	4.6
167.08566	3.2
168.09349	2.2
169.10184	15.5
169.67918	1.8
170.10921	4.4
171.11665	23.3
172.12222	2.1
173.13280	20.6
175.14851	40.8
179.08592	5.2
181.10165	6.0
182.10916	6.0
183.11742	14.8
184.12553	3.7
185.13237	14.4
187.14832	20.4
189.16379	4.9
193.10173	5.3
193.15869	2.2
194.10951	4.7
195.11717	11.7
196.12498	4.1
197.13297	22.9
199.14790	10.2
201.16403	13.4
203.14317	1.8
206.11023	4.3
207.11697	6.2
208.12454	2.5
209.13287	13.5
211.14891	11.6
213.16359	5.5
217.15773	2.2
219.17488	6.3
221.13290	4.6
222.14035	2.8
223.14828	9.9
225.16397	5.6
226.17154	2.1
227.18103	2.5
232.12383	2.3
233.13197	2.4
235.14912	6.4
237.16428	4.2
239.18115	3.8
241.19482	5.3
245.13197	1.9
247.14905	4.8
249.16348	5.5
251.17984	2.4
252.95392	2.0
253.19514	4.6
257.18979	2.2
259.14810	1.9
259.20557	2.4
261.16376	3.0
263.17908	2.8
265.19476	6.0
266.43774	1.8
267.21112	7.4
275.17874	2.8
276.26218	1.9
277.19470	4.1
279.21231	3.5
283.20428	2.0
285.22177	4.8
303.21225	2.1
319.24103	2.6
336.06497	1.9
345.25745	3.0
411.30518	1.9
429.31686	4.1
459.35809	2.2
533.41791	4.9
551.26758	4.0
551.42432	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	552.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
53.88652	0.3
66.84642	0.3
69.58554	1.3
69.58965	0.5
79.05475	0.6
82.06550	0.5
85.02908	0.6
93.07000	1.2
94.06574	1.4
95.07314	1.0
96.08138	2.7
98.21501	0.4
98.77615	0.3
108.07545	0.3
108.08106	2.8
110.09032	0.4
110.09689	4.9
120.04468	2.5
120.07409	0.4
120.08121	4.1
122.03620	0.4
122.06009	0.7
122.09669	0.4
123.06783	0.4
124.07545	0.8
126.19834	0.3
136.07585	2.8
137.05028	0.4
137.05992	4.4
138.08180	0.6
138.09154	8.0
144.08046	0.4
146.06024	0.6
148.07536	1.2
150.05463	0.4
150.09102	0.8
151.07510	0.7
152.07004	0.9
152.10667	0.7
164.07010	0.7
166.08656	6.6
176.10776	0.3
177.09065	0.6
180.10069	0.5
182.11775	0.7
183.09105	0.3
188.62132	0.3
189.09134	0.3
194.08148	0.8
196.09795	0.5
197.10757	0.7
209.10709	0.6
212.09460	0.7
213.10193	0.5
220.09962	0.3
221.10684	0.7
222.07773	0.3
223.08636	1.1
223.12286	0.9
224.09531	0.8
225.10194	2.3
226.11040	0.4
227.11784	0.9
233.10686	0.5
235.08690	1.3
236.09427	0.6
237.10266	6.9
238.10945	1.6
239.08133	1.2
239.11842	2.8
241.09721	1.0
245.12971	0.6
248.09337	1.2
249.10234	4.6
250.11116	1.8
251.08130	2.8
251.11838	4.5
252.12579	0.7
253.09746	5.0
253.12482	0.4
253.13354	0.3
254.10493	0.5
255.11295	0.6
261.10229	2.2
262.10986	0.8
263.08276	0.6
263.11798	2.6
264.09045	0.4
265.09738	7.1
265.12851	0.4
266.10535	1.0
267.08206	0.6
267.11243	4.5
268.12180	0.4
269.09338	0.5
269.12802	0.7
271.10803	1.7
273.12418	0.3
277.09787	2.1
278.06784	0.4
278.10492	2.9
279.07700	3.6
279.11292	8.5
280.12076	2.1
281.09216	2.4
281.12817	1.2
282.10080	0.5
283.10818	5.2
283.14041	0.5
285.12357	0.9
287.13889	1.0
289.09720	4.0
290.10446	0.6
291.11093	1.8
293.09222	1.8
293.12860	3.6
294.10046	3.6
294.13174	0.5
295.10764	3.6
296.11734	2.0
297.08920	0.6
297.12375	0.9
298.09637	0.4
299.10275	1.7
305.11792	0.7
306.09854	0.9
307.10776	1.9
308.11526	1.2
309.12308	2.5
311.10260	5.5
311.13922	1.8
312.11096	2.1
313.11731	1.4
314.12650	1.4
315.13773	0.4
317.09131	0.6
321.08737	0.5
321.12186	0.6
323.10257	0.6
323.13748	1.3
324.11017	1.9
325.11893	1.0
326.12659	4.4
327.13428	7.5
328.14340	0.5
335.10269	6.5
336.11328	0.3
337.08286	0.3
337.11771	0.8
339.10165	1.6
339.13422	46.1
340.10516	2.5
340.14069	0.6
352.10556	0.8
353.11365	1.0
354.12073	3.6
355.12723	10.4
357.14679	0.3
367.12921	27.1
373.16412	1.5
383.12460	0.5
386.14774	0.8
387.15485	1.1
399.15692	0.6
418.18124	0.4
432.19543	0.5
436.18619	0.4
444.18857	0.4
447.17365	0.3
451.20981	0.8
460.18906	1.1
464.18042	0.4
470.17648	0.4
479.20569	1.7
488.18237	11.1
492.21414	4.0
502.19641	0.4
520.20856	100.0
521.20972	1.3
552.23322	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	552.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
54.15696	0.4
55.01865	1.5
57.03426	1.6
61.02922	3.3
63.96545	0.4
65.03924	0.8
66.04745	0.5
69.03429	5.0
70.91233	0.5
70.91556	0.5
71.04990	0.7
73.02906	1.2
79.05521	0.9
81.03416	5.2
81.07058	0.6
85.02907	23.8
87.04462	0.5
90.04718	0.4
91.03928	1.1
91.05492	3.3
93.03410	0.8
94.03629	0.4
94.04207	1.4
97.02891	6.6
99.04452	1.2
103.05491	3.5
107.04965	3.6
108.05762	2.0
109.02872	1.6
109.06497	1.3
111.04424	0.5
115.05441	4.7
117.06998	1.6
119.04968	0.6
121.06507	2.6
122.03678	3.4
124.05180	1.0
125.05991	1.0
127.03902	3.0
128.06212	1.4
129.06985	4.9
131.04924	12.3
131.08563	0.4
132.05737	0.6
133.02843	1.1
135.04427	1.6
136.05202	5.3
137.05977	86.0
139.07567	2.8
143.04929	8.8
143.08571	0.6
144.05690	0.9
145.04977	6.1
145.06421	2.3
146.03607	0.6
146.07268	1.0
147.04337	0.5
147.08031	0.6
149.05980	1.6
150.06749	0.6
151.03906	1.7
151.07541	100.0
153.05438	2.0
157.06512	6.2
158.07275	5.6
159.04430	1.9
159.08061	1.5
160.05197	12.7
161.06001	2.1
162.06610	0.5
163.06157	0.7
163.07520	7.0
165.05513	1.8
165.09106	1.5
167.07072	1.9
171.08014	0.5
172.05209	2.4
172.08859	4.1
173.05940	1.8
174.06770	26.5
175.07544	79.1
177.05536	0.9
177.09123	5.3
179.06995	2.1
180.08653	2.8
185.05960	0.9
186.06708	2.0
187.07547	28.2
188.08337	5.3
189.09106	81.3
190.09550	0.7
191.07045	1.5
191.10625	1.5
192.07773	0.5
193.08598	1.2
199.07655	0.6
201.09102	37.9
203.08765	0.6
203.10649	8.7
205.08604	17.3
210.06662	1.2
211.07497	0.8
213.09059	1.5
216.07608	0.6
217.08585	3.1
219.08134	1.2
219.10149	17.1
225.09093	1.4
231.08008	1.5
231.10130	10.1
232.08847	0.6
233.09604	1.6
235.09648	17.0
239.06920	1.0
241.08539	1.7
245.09634	1.2
246.10294	1.0
247.07565	0.9
249.11235	17.2
253.08644	1.1
254.09375	4.9
255.06580	0.9
261.09140	1.7
262.09891	2.5
263.07034	0.5
263.10611	2.1
264.07892	0.6
267.09976	0.5
269.08066	4.0
270.08847	2.3
273.08957	1.0
274.09940	3.1
275.07031	0.7
275.10599	1.6
277.12271	2.7
278.09283	0.7
279.10153	2.0
281.07993	0.6
282.08905	0.6
283.09589	0.6
284.10419	10.5
285.11197	10.0
290.09467	2.5
291.10114	5.1
293.11746	2.7
294.12427	1.8
295.09692	0.9
295.13080	0.8
297.11270	2.5
301.26569	0.5
305.11707	10.1
306.12469	7.0
307.09622	2.4
307.12863	0.5
309.14798	0.5
310.11954	3.2
311.12833	0.5
319.13306	1.2
321.11191	0.7
322.11945	4.1
323.12823	0.9
325.11331	0.4
325.14362	4.7
327.15707	1.0
337.14346	28.1
344.92984	0.4
355.15390	42.5
373.16458	20.8
420.52335	0.5
533.77252	0.4
570.76825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.5
57.07052	0.4
67.05500	1.6
69.03407	0.6
69.06731	0.5
69.07073	5.8
70.06585	0.5
70.74492	0.5
70.74840	0.4
71.04972	0.4
73.51153	0.2
79.05488	0.7
81.07064	2.0
83.08617	1.4
85.02907	2.4
85.06538	0.4
91.05482	2.5
93.07056	1.6
95.08607	5.8
97.02866	0.6
98.09944	0.3
99.04460	0.4
103.05434	0.5
105.07032	5.6
107.08591	2.3
109.09469	0.5
109.10156	5.7
117.07006	0.5
119.08582	28.2
121.10133	1.6
123.11720	0.6
127.03982	0.7
131.08546	0.9
133.10133	23.4
135.11684	2.6
137.09628	2.3
145.04980	0.5
145.10112	1.2
147.11678	3.2
149.13264	0.9
151.14821	0.5
160.12447	1.3
163.03845	0.5
173.13284	0.8
175.14825	100.0
176.15129	0.3
177.16377	0.5
181.60344	0.3
193.15884	17.3
282.09518	0.3
308.94336	0.3
324.10641	0.4
342.11588	1.1
546.80365	0.3
552.16541	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	552.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.9
57.03443	0.4
57.05808	0.3
58.06613	0.4
69.07072	8.9
70.06602	0.3
71.52593	0.5
75.05614	2.0
81.07055	1.2
82.05309	0.3
83.06114	3.3
83.48337	0.3
84.08136	0.3
85.06519	0.3
86.06073	3.4
86.09709	100.0
93.04514	2.1
95.06089	3.1
99.08097	0.5
103.05431	0.5
105.07038	0.9
110.07171	60.0
114.05534	8.5
116.01685	1.9
133.10214	0.4
137.05989	1.0
143.11803	9.7
144.01152	1.1
146.72340	0.3
153.06682	0.4
156.07693	68.1
161.05933	0.6
162.02216	1.3
164.07095	1.0
166.06105	1.1
171.07664	3.2
178.13411	1.0
181.05151	0.3
182.05481	0.3
223.15506	0.7
238.15486	1.0
245.05911	0.5
251.15041	2.4
256.16562	7.1
269.16095	18.9
276.08841	0.3
284.16061	20.3
291.06525	1.0
369.24994	0.5
382.24722	0.5
389.13913	1.2
394.12524	0.3
397.24448	4.7
439.26645	1.4
508.11273	0.3
534.30255	2.1
552.21442	1.5
552.31439	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01883	0.8
56.96317	0.8
56.96563	17.0
57.03434	1.8
57.07082	1.2
59.05000	0.7
61.02922	2.9
67.05520	1.7
69.03436	6.2
69.07058	1.0
69.72777	1.5
69.73183	3.7
71.04984	1.4
71.60403	0.7
71.95223	0.8
73.02921	2.7
74.97621	1.9
79.05495	5.9
81.03408	1.6
81.07075	1.8
84.96038	6.4
85.02909	12.7
86.09692	0.9
86.97665	0.9
89.03913	2.7
91.03953	0.8
91.05488	1.9
93.07013	1.1
97.02895	7.3
97.96815	1.0
98.20861	1.6
98.97589	58.6
99.04460	1.5
100.02182	1.2
102.96934	1.1
105.07009	1.0
107.04959	1.5
107.08610	5.9
109.02881	1.4
109.06551	1.5
110.97569	16.6
112.99146	3.8
116.98627	18.8
117.03415	1.9
119.04957	1.4
121.06507	2.2
124.99162	2.7
125.09615	1.6
126.97137	0.8
127.03890	4.2
128.98618	15.6
131.00180	2.5
134.99675	3.0
135.04431	4.2
137.05978	9.1
140.98645	2.6
141.09192	0.8
143.00180	6.5
143.10693	2.5
144.98114	2.7
145.02815	3.5
145.04968	2.1
146.02744	2.9
146.99669	5.2
147.03233	0.9
147.04398	2.0
149.01195	0.9
149.05971	1.3
151.04390	1.2
152.98602	2.1
153.02182	1.6
156.47115	0.7
158.99675	23.0
161.01254	4.7
161.02588	1.0
161.04715	1.4
162.99136	2.0
163.03922	25.3
164.04306	2.1
164.07056	0.7
167.03824	1.0
167.07008	4.0
169.05376	17.4
170.99652	7.9
171.03290	7.7
172.05748	3.9
177.00742	12.9
177.05551	1.4
180.05426	0.9
181.06349	1.0
182.99623	2.0
185.04851	3.4
187.02910	1.0
187.04694	1.4
187.06430	25.6
189.00752	5.2
189.04373	4.3
194.07037	1.8
197.04843	5.4
199.06422	19.7
201.00714	8.5
201.04391	0.8
203.05902	2.1
203.07632	1.1
203.73277	0.8
205.07468	10.6
208.05017	2.2
209.08144	1.2
210.08340	0.8
211.02856	1.2
211.06430	7.4
213.04347	10.0
215.05978	4.4
217.05527	1.5
217.07472	18.8
218.04640	1.4
219.01768	46.7
221.04808	1.0
223.02910	0.8
223.06299	3.1
223.55576	1.6
224.06116	0.8
227.05891	4.0
229.07533	1.6
231.01962	0.9
231.05441	9.0
231.12965	0.8
233.06816	11.5
233.56938	3.2
234.07266	1.0
235.02948	1.4
235.06380	0.9
235.08519	9.6
236.08717	0.9
237.02814	45.6
239.05914	4.2
240.06384	0.8
241.07507	25.7
242.07393	0.8
245.06897	4.1
249.04333	1.0
253.03874	2.7
253.07303	1.2
255.03882	2.1
257.06927	3.0
259.08612	23.7
260.04529	1.1
261.02872	2.2
263.08081	3.0
265.07599	1.2
271.05383	0.9
271.08594	4.7
273.06766	0.8
273.10107	2.0
277.09656	12.0
279.03763	3.8
283.08475	1.8
285.10114	2.4
287.08133	1.8
289.09579	2.7
295.04724	1.3
295.07837	2.3
301.06421	1.2
301.09625	9.3
303.03906	0.9
303.10959	0.8
304.08099	2.8
313.08905	3.3
313.58774	1.8
319.10608	3.4
321.04773	1.2
327.03763	2.2
343.10690	5.2
345.08527	1.0
352.11908	1.5
358.60736	0.9
359.10117	2.4
361.11694	84.1
362.12042	1.6
373.08087	2.8
374.12405	1.1
374.62424	0.9
375.13071	2.1
377.11179	1.2
378.10706	6.2
379.12762	100.0
380.13095	1.7
382.63992	1.4
383.62640	0.7
384.13599	2.8
385.10867	1.0
385.60999	1.2
387.11472	1.5
389.11203	3.2
391.09021	1.6
391.64157	1.5
393.14276	1.9
394.15628	3.9
394.65067	2.9
395.09378	2.8
395.15179	0.9
402.14282	2.5
407.12323	5.0
415.09277	1.0
421.13370	3.1
437.13321	13.2
449.13177	2.6
463.18802	4.4
465.12610	1.4
477.16452	62.8
491.17889	2.5
517.15399	2.8
535.13794	4.9
535.16614	4.9
553.18365	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
54.54337	1.3
55.05502	3.6
57.07077	1.9
65.03947	1.5
67.05508	14.4
69.03423	4.0
70.86470	3.1
71.01370	1.5
76.34254	1.5
78.43240	1.4
79.05491	7.8
81.03403	2.3
81.07063	5.4
83.04982	2.4
84.38857	1.4
85.02911	3.5
85.06543	7.1
86.56608	1.5
91.05467	10.7
93.07046	31.1
93.85894	1.5
95.04971	6.5
95.08607	60.0
97.06531	3.3
99.04451	1.7
101.59740	1.5
103.05426	2.1
105.07037	10.1
107.04933	2.5
107.08596	8.7
109.02914	1.9
109.06512	2.1
109.10126	3.5
111.08065	3.1
113.06034	7.6
119.08582	18.5
121.06510	25.6
121.10143	5.3
123.08073	23.5
123.11710	1.8
125.05954	2.0
127.03860	3.6
131.08539	2.9
133.10120	3.2
135.08034	1.9
135.11699	6.7
137.09587	4.4
139.06583	1.8
139.07520	9.7
145.10175	1.8
147.08067	1.8
147.11699	10.6
149.06006	12.3
149.08450	2.6
149.09612	26.6
151.14804	1.9
156.09299	1.7
159.11711	3.6
161.09677	1.9
161.13255	10.6
163.11209	5.0
165.05411	3.1
165.12761	6.4
167.07037	43.1
171.11742	2.5
173.36356	1.5
177.12712	2.3
183.06624	2.1
185.08099	17.5
189.12746	18.6
207.13809	100.0
225.14873	16.5
257.06143	1.7
311.11099	3.4
329.12216	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	553.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95214	1.9
53.03947	7.8
55.01867	7.6
55.05513	6.8
57.03444	2.8
65.03944	5.2
67.05188	2.9
67.05511	40.7
69.03433	14.9
69.07074	17.7
69.58382	9.1
71.04993	10.4
73.02927	2.6
73.06554	2.2
77.03928	2.5
77.66098	1.8
79.05493	28.0
81.03445	10.6
81.07062	54.4
83.04987	34.4
85.02901	8.7
85.06545	11.5
91.05489	21.4
93.07046	28.3
95.04970	67.2
95.05577	3.6
95.08619	12.6
97.02895	6.6
97.06541	40.7
98.20811	3.8
99.04464	20.3
101.05965	2.2
105.07037	52.9
107.04955	10.6
107.08587	21.6
109.02863	9.2
109.06522	47.0
111.04443	7.3
111.08062	7.6
113.06013	5.6
115.05479	3.6
117.07018	15.3
119.04929	6.6
119.08590	19.4
121.06516	24.8
121.10167	15.1
123.04440	17.8
123.08060	8.0
125.06007	55.3
127.03925	7.3
127.07574	19.5
128.06264	2.7
129.07010	5.4
130.07767	4.7
131.04855	2.0
131.08589	24.5
133.06500	16.0
133.10141	6.7
135.04408	3.3
135.08063	13.5
135.11696	7.4
137.05986	46.1
139.07515	2.3
139.77477	1.9
141.05505	4.6
141.06982	3.6
143.07047	43.9
143.08583	12.8
144.09348	5.2
145.06465	10.7
145.10135	84.3
147.08057	11.8
147.11707	5.8
149.05995	3.4
149.09613	10.3
151.03981	1.9
151.07533	9.9
153.05478	12.6
154.07771	2.5
155.07030	5.9
155.08585	5.4
156.09293	2.7
157.08824	2.4
157.10152	6.4
158.07297	6.2
159.06517	4.1
159.08043	7.8
159.11702	34.5
161.06056	3.1
161.09621	6.8
163.07532	6.6
163.11189	35.5
169.08698	4.0
169.10095	16.9
171.08044	4.6
171.11761	4.5
172.08794	3.6
173.09645	53.9
175.07558	6.1
175.11256	2.1
177.09119	4.6
177.12737	7.2
179.07117	2.2
179.08649	2.0
183.11780	3.1
185.09608	6.0
187.11197	70.4
189.09169	5.7
189.12755	3.6
191.10684	45.5
193.08601	4.7
197.09628	8.7
199.11234	2.2
203.10693	2.9
205.12260	55.7
209.11745	69.6
211.11333	3.0
213.09081	2.6
215.10686	57.0
217.12189	2.7
221.11740	3.3
223.13293	8.7
229.12201	7.7
231.10243	3.0
233.11746	66.8
239.10655	2.3
247.13315	7.8
249.11159	3.9
251.12802	100.0
257.11737	15.2
265.14294	2.4
267.12219	2.1
269.11151	3.3
269.13852	27.1
275.12857	11.2
289.14316	2.3
293.13724	8.9
299.13028	2.0
311.15015	3.3
317.13846	3.8
325.16641	2.6
329.13821	3.2
335.14865	4.0
341.13690	4.2
359.14890	9.6
367.26843	2.0
368.81473	2.5
377.15970	33.7
395.17105	34.5
413.18103	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2813
Annotation	Canthiumine
Peak:m/z	Relative Intensity
50.19461	0.3
51.28185	0.4
63.25171	0.3
67.05503	0.5
69.07079	0.4
70.64993	0.9
81.07041	0.4
83.32542	0.3
90.60224	0.3
93.07041	0.4
95.08565	0.4
103.72783	0.3
107.08599	0.4
116.84364	0.3
121.10150	0.4
180.46928	0.3
335.13571	0.4
363.16144	1.0
374.16696	0.4
377.17627	2.1
378.18451	2.7
379.19183	0.7
390.18750	0.4
391.19296	2.7
392.19971	3.1
393.20721	9.1
405.20798	2.3
406.21658	2.6
407.22351	9.2
419.23169	0.6
420.23145	1.2
421.23901	6.7
422.17557	1.2
423.18011	0.8
433.20190	1.0
435.18195	1.1
436.19116	1.1
437.19705	7.7
445.20370	0.4
448.22589	1.4
451.21298	12.5
465.23001	2.5
466.23450	0.4
473.20239	0.5
477.26489	5.0
479.24655	0.7
480.25110	1.3
493.26019	0.8
494.26962	0.5
503.24384	3.6
508.28461	0.8
509.21765	0.8
509.28979	5.4
523.23724	0.6
524.24170	2.2
535.27045	5.2
538.25696	0.5
553.28131	100.0
554.28455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.0
51.89510	0.8
53.58026	0.8
58.00821	0.9
64.01818	1.0
65.03950	1.2
69.22855	6.5
70.06581	0.8
73.04500	0.8
79.05486	1.4
81.07050	1.5
85.02919	1.3
85.34736	0.9
91.05492	6.1
93.03428	1.8
93.07055	1.4
94.04179	2.9
95.04938	1.9
97.02927	1.3
103.05453	4.6
105.07044	1.5
107.04953	1.4
109.06504	1.0
111.04446	2.6
119.04942	4.8
119.08589	0.9
121.06515	1.5
122.03667	6.7
122.60707	0.9
125.05964	3.1
131.04961	12.1
133.06406	1.5
135.08092	1.1
137.05991	100.0
138.06299	1.1
144.29028	1.0
146.03711	1.2
149.05998	4.3
151.03981	0.9
151.07552	17.1
153.05478	7.8
157.06517	1.1
160.05237	1.1
161.06004	7.0
163.07559	10.2
165.07002	3.6
165.09108	1.7
166.97968	1.0
167.08545	2.6
168.14833	0.8
174.08504	1.0
175.07556	17.1
177.05475	1.1
182.07233	1.5
187.07571	5.9
189.09059	2.9
191.07109	1.3
193.06512	3.9
195.08051	2.7
199.07596	1.7
201.09041	1.3
209.09523	1.1
210.06743	3.1
211.07628	1.5
219.08139	1.1
221.05998	9.4
224.08385	2.7
225.09154	7.5
227.10681	2.4
233.07954	1.4
235.07437	1.1
238.06271	2.9
239.10709	1.2
247.09740	1.6
249.09239	1.0
251.10666	3.9
252.07874	1.5
253.08643	13.4
254.09222	1.0
255.10204	2.9
267.10352	5.2
270.08719	1.6
279.10220	2.4
285.11252	30.6
287.12848	10.2
291.10092	1.4
305.11478	1.3
311.12814	2.3
323.12827	1.8
337.14395	12.0
341.13684	1.2
347.12762	1.6
353.13901	1.3
355.15436	17.4
361.57709	1.0
365.13733	6.4
371.14877	1.3
383.14954	13.4
453.14343	1.0
457.16083	1.1
461.19394	1.5
471.18082	1.9
475.17191	1.3
489.12573	1.4
489.19226	15.7
507.20209	60.5
554.30811	1.2
567.54694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01870	0.3
61.02932	0.6
69.03442	1.5
70.03722	0.5
70.04076	1.2
72.08162	0.3
73.02917	0.3
78.90370	0.3
79.05495	2.1
81.03429	0.6
81.07065	0.3
85.02912	2.7
85.48910	0.3
88.61495	0.3
91.05470	1.0
93.07046	1.9
97.02888	1.5
98.97594	1.7
99.04468	0.4
103.05466	6.8
105.07032	0.3
107.04948	1.5
107.08578	0.5
109.02875	0.6
116.98589	0.5
119.04930	0.4
120.08108	100.0
121.06499	0.6
127.03936	1.0
128.98639	0.3
129.07008	0.4
131.04932	2.9
137.05956	2.9
145.04973	1.2
147.04411	0.8
149.06013	2.3
157.06531	0.3
158.99646	0.9
161.05925	0.3
162.18701	0.3
163.03917	1.3
164.05957	0.8
165.05421	0.3
166.08644	52.9
167.07025	0.4
175.07567	0.6
177.00674	0.4
179.06967	0.5
189.09132	0.6
193.04921	0.4
197.08031	0.9
209.40297	0.3
211.06006	0.9
211.09523	0.5
215.09311	0.4
219.01744	0.7
236.85077	0.3
237.02875	0.6
254.08952	0.6
256.07098	0.3
291.10059	0.3
303.37442	0.3
323.12411	0.3
336.09604	0.4
337.12122	1.2
341.13895	0.4
361.13336	2.3
361.63519	0.4
363.13077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01866	1.9
56.17075	0.9
56.24792	0.7
56.49860	0.6
57.03431	1.1
61.02923	1.5
65.90958	0.9
67.05510	1.5
69.03445	3.5
69.69421	3.9
71.01352	1.1
71.40491	0.7
73.02899	1.0
79.05497	10.5
81.03402	2.1
81.07062	14.4
83.01347	2.0
85.02915	13.1
91.05489	5.8
93.07054	6.5
95.04955	2.0
95.08625	4.6
97.02895	2.8
98.21605	0.8
99.00843	0.7
101.02376	0.8
103.05465	2.9
105.06404	1.3
105.07042	17.8
107.04974	1.3
107.08588	3.1
109.02872	1.7
109.06522	8.9
111.04402	2.2
115.05455	2.3
117.07021	2.2
119.04882	0.9
120.08101	1.0
121.06525	6.2
123.04413	0.9
123.08088	6.1
125.05986	0.9
127.03925	3.0
127.07561	2.0
128.06204	0.8
129.07014	3.2
131.04967	3.9
133.06512	18.4
135.04445	1.2
135.08017	3.3
137.05986	19.2
139.07545	0.9
143.05084	0.8
145.04984	6.5
147.04384	1.4
149.05994	20.3
151.03952	0.8
151.07544	10.9
153.05469	1.3
153.09123	9.5
157.06476	3.1
161.05998	25.7
163.06047	2.3
163.07468	1.4
165.05571	0.7
167.07217	1.0
169.08571	2.6
174.06778	1.1
175.07552	6.4
179.07045	46.9
187.07597	6.0
189.09093	6.0
195.06540	1.8
197.08112	100.0
199.07529	0.8
207.10223	0.8
211.06009	1.2
215.09166	75.5
217.08636	1.4
231.08075	0.7
251.10648	0.7
263.10522	0.9
291.10220	1.8
311.12839	2.9
323.12939	3.8
341.13547	6.2
359.13431	1.2
556.16779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26009	0.5
52.63420	0.6
53.03091	0.5
53.03936	0.6
53.48485	0.5
55.05487	0.7
56.42853	0.6
63.89103	0.6
65.03937	1.1
70.84448	1.1
70.84772	0.9
79.05511	0.7
81.07055	0.9
83.04982	1.0
84.42585	0.6
85.02901	0.9
85.05918	0.5
91.05475	1.7
93.03397	1.9
94.04181	1.5
95.04970	0.6
103.05475	4.7
107.04993	0.8
109.06503	1.9
111.04434	1.0
115.05464	2.0
119.04911	1.0
122.03645	4.2
125.06000	2.5
128.06219	2.6
129.07011	15.2
131.04936	15.4
131.08565	0.7
137.05983	100.0
143.04941	2.5
144.05690	1.6
145.06516	2.6
147.04456	0.9
147.07967	0.7
149.05963	1.3
151.03944	1.4
151.07553	1.5
153.05479	8.1
157.06496	18.7
158.07310	0.9
160.05205	5.9
161.05975	3.2
163.07536	9.1
172.05231	3.1
173.98126	0.7
174.06812	5.5
175.07553	35.4
177.05476	1.1
177.09169	2.0
179.07059	1.4
185.06000	1.2
187.07559	41.5
189.09109	37.9
191.07033	1.1
191.08580	1.6
199.07597	1.8
203.08630	2.7
205.08589	5.9
207.10207	4.0
209.15396	0.8
211.07603	1.3
217.08595	11.2
219.08083	4.3
219.10239	2.0
220.08766	0.8
231.08072	3.2
233.09676	0.8
235.09734	1.7
239.06992	0.9
247.07576	2.7
248.08388	2.6
251.10744	2.0
255.06447	0.7
259.07605	1.7
263.10660	4.4
264.07773	0.8
265.08609	1.2
270.08887	3.6
271.09613	4.0
276.07870	2.2
277.08469	0.8
279.10199	6.5
281.08075	0.7
283.09796	3.0
291.10159	10.6
293.08212	0.6
296.10519	1.7
297.11124	0.9
308.10553	1.1
311.12759	20.4
323.12790	18.6
325.94067	0.7
329.13837	3.9
330.61627	0.7
341.13849	45.1
342.13675	0.6
359.14966	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	556.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.7
52.06033	0.6
55.01871	0.8
65.03931	0.8
69.68020	0.7
69.85102	1.7
69.85496	1.4
74.42432	0.7
75.22314	0.6
79.05489	1.5
81.07072	0.9
83.04972	0.9
85.02913	1.8
85.17966	0.7
91.05483	4.6
93.03380	1.0
94.04211	1.0
98.20728	0.8
103.05483	8.1
105.03406	0.8
105.07043	2.1
107.04977	1.0
107.34595	0.6
109.06519	2.6
109.63150	0.7
111.04457	1.5
115.05478	2.4
116.30549	0.6
117.07072	1.6
119.04934	4.4
122.03644	4.4
125.06001	2.6
128.06219	3.2
129.07011	16.9
131.04938	22.3
131.08574	1.0
133.06511	1.7
137.05991	100.0
140.88298	0.7
143.04953	2.2
145.06493	2.1
146.07336	0.7
147.04405	2.1
147.08093	1.0
149.06027	1.8
151.03938	1.2
151.07567	4.0
153.05508	7.1
157.06517	15.5
158.07253	1.0
159.08208	0.8
160.05226	3.5
161.06003	11.5
163.07555	14.9
165.05515	0.9
172.05249	2.4
173.05881	0.8
174.06793	5.6
175.06053	1.6
175.07561	29.4
175.09059	1.5
177.09163	1.7
179.07089	2.9
182.75226	0.8
185.05891	0.9
187.07555	33.7
189.09122	34.9
191.08586	1.1
199.07492	1.0
203.08633	2.2
205.08611	5.9
207.10191	4.0
211.07513	0.7
217.08623	10.1
219.08125	3.5
219.10155	1.4
220.08952	0.9
227.07108	1.2
231.08116	2.8
235.09671	1.5
239.06964	1.1
240.07684	0.8
247.07597	2.6
248.08336	2.6
251.10747	2.1
255.06528	1.9
259.07614	1.7
263.10687	4.0
264.07849	1.1
265.08582	1.5
270.08966	3.8
271.09665	3.1
276.07840	1.6
277.08698	1.0
279.10175	7.4
281.11746	0.8
283.09769	1.8
291.10190	10.3
293.08240	1.2
296.10458	2.3
309.11090	1.1
311.12793	19.2
323.12827	17.7
323.16333	0.6
329.13937	4.9
341.13858	35.8
352.52927	0.8
359.15164	1.7
460.83713	0.7
523.63220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17068	0.7
55.01865	1.1
55.05488	0.6
56.06840	0.6
59.93346	0.7
62.14877	0.6
65.03951	0.6
69.03432	0.8
70.74255	1.6
79.05479	1.4
81.07078	0.8
85.02895	3.0
90.02701	0.7
91.05489	1.8
93.03391	1.7
94.04171	1.3
97.02854	0.9
103.05463	5.9
105.52605	0.6
107.04948	1.3
109.06503	1.0
111.04400	1.0
115.05460	2.0
117.07019	1.4
119.04939	1.4
122.03664	4.3
125.05984	2.3
128.06221	2.7
129.07004	16.2
131.04933	14.7
131.08569	1.0
133.06561	1.0
137.05981	100.0
141.11732	0.7
143.04942	3.7
144.05762	1.1
145.06473	1.7
146.03664	0.8
147.04402	1.5
147.08073	1.1
149.05966	1.0
151.03938	1.2
151.07530	1.9
153.05476	6.3
157.06496	17.9
160.05162	5.3
161.05971	6.1
163.07558	9.7
163.08868	1.1
167.07050	0.7
171.08055	1.0
172.05223	2.0
174.06798	6.4
175.07562	32.3
177.05467	0.8
177.09119	0.9
179.07039	1.6
185.05975	1.2
187.07549	37.3
189.09106	36.4
191.08559	1.0
199.07486	1.6
203.08618	2.2
205.08595	6.1
207.10199	3.0
211.07614	1.3
217.08586	9.8
219.08102	3.8
219.10184	1.5
231.08063	3.4
235.09717	1.6
237.09277	0.9
240.05298	0.7
247.07497	3.2
248.08353	2.7
249.09152	0.8
251.10695	3.2
255.06555	1.7
259.07520	1.2
263.10794	3.9
264.07770	1.0
265.08737	0.7
270.08832	4.2
271.09637	3.5
276.07791	2.2
277.08591	0.9
279.10239	6.1
281.08112	0.8
283.09689	2.2
291.10156	10.5
292.11130	0.8
296.10477	2.0
308.10626	0.9
309.11176	1.4
311.12793	21.1
313.10474	0.7
323.08920	0.8
323.12775	20.1
329.13770	3.6
341.13846	38.7
359.14926	2.0
444.75430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86892	0.8
55.01864	0.8
65.03941	1.1
69.62578	5.3
76.81981	0.9
79.05479	2.4
82.87433	0.8
85.02904	1.1
86.03522	0.9
86.61426	0.9
87.81886	0.8
91.05471	5.0
93.07049	1.1
94.04181	2.1
94.06549	1.2
96.08107	2.5
103.05466	2.5
105.07044	5.0
107.04948	5.0
108.05734	2.2
108.08121	2.1
110.09689	4.3
117.06996	2.3
119.04957	0.8
120.08102	1.4
121.06506	5.3
122.03622	5.4
124.07576	1.0
129.06995	0.9
131.04926	4.8
133.06494	22.6
135.04416	1.8
135.08092	1.8
136.05197	6.6
136.07532	0.9
137.05977	100.0
138.09128	4.2
143.08543	1.3
145.06450	2.4
146.07256	4.7
147.08052	10.9
150.06757	3.8
151.07542	96.6
157.06485	1.9
159.08098	1.1
160.08818	1.1
161.05977	1.7
162.06706	1.6
163.07564	12.7
165.09126	9.7
166.08664	8.9
171.08025	1.3
174.06779	2.3
175.07550	1.9
176.08333	1.4
177.09109	27.7
179.02512	0.8
179.10608	1.0
187.07475	0.9
188.08302	2.4
189.09087	4.1
191.10715	0.9
192.28426	0.8
201.09094	2.0
202.09953	1.7
203.10683	7.8
217.12242	4.2
235.13263	1.0
253.09674	1.6
265.09717	2.8
281.09195	1.5
283.10773	1.7
286.35272	1.0
293.09064	1.1
294.12646	1.0
295.10693	2.3
309.14844	16.7
325.11636	1.6
326.15161	8.3
327.09756	1.5
339.09814	1.8
341.17459	57.6
359.12375	3.7
359.18509	8.7
371.12396	2.4
376.88370	0.8
384.54904	0.8
446.16910	1.3
464.17929	3.2
492.17719	7.5
524.20331	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
59.73312	0.5
66.04719	0.7
67.56807	0.5
69.03430	1.3
69.79605	2.3
69.80020	0.9
74.66010	0.6
79.05514	1.2
81.03432	0.9
81.07043	0.9
85.02906	4.5
91.05475	2.9
93.07027	0.8
94.04197	2.6
95.08597	0.6
97.02878	1.5
103.05444	2.7
105.07043	3.5
107.04942	4.2
108.05742	1.7
109.02891	0.6
109.06536	0.9
115.05431	0.6
117.07027	1.7
119.04934	0.8
119.08595	0.6
121.06504	5.5
122.03633	5.4
127.03919	0.9
128.06218	0.8
129.07053	0.9
131.04936	5.5
133.06490	19.7
135.04414	1.5
135.08060	1.9
136.05209	5.4
137.05980	100.0
143.08562	1.0
143.09616	0.5
145.04948	0.7
145.06494	3.3
146.07256	3.8
147.04408	0.6
147.08047	11.1
149.05959	0.6
150.06766	2.8
151.07545	89.2
157.06499	1.6
158.07190	0.7
159.08034	0.8
160.08853	0.7
161.05948	0.6
162.06744	0.8
163.07549	13.7
165.09138	8.2
171.08043	3.0
172.08902	0.7
174.06790	2.1
175.07552	2.4
176.08292	0.8
177.09114	26.2
186.10391	0.8
187.07541	1.2
188.08340	2.2
189.09094	5.2
191.10684	1.8
201.09181	1.0
202.09879	1.7
203.10693	7.7
205.12296	0.7
207.10094	0.6
217.12263	4.1
221.11687	1.2
235.13248	0.9
262.10034	0.5
277.12500	0.8
278.13150	1.4
293.01096	0.6
294.12207	0.6
309.11383	0.8
309.14819	14.9
326.15128	5.7
341.17468	51.4
359.18561	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	556.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13258	1.1
51.18640	1.0
55.01851	2.3
55.05511	8.2
57.03444	8.5
57.07084	26.8
58.85906	1.2
60.51248	1.1
67.05516	15.8
69.07085	9.5
69.50465	8.2
70.06577	1.5
71.05018	1.6
71.08644	19.4
79.05506	14.9
81.03419	2.6
81.07062	19.7
83.04979	3.5
83.08646	12.7
85.06565	1.7
85.10198	10.0
89.06056	6.3
90.23115	1.1
91.05473	4.6
93.07053	24.5
95.04960	3.4
95.08618	35.0
97.02888	2.9
97.06538	2.6
97.10172	3.9
98.20714	1.1
99.04459	2.3
103.05424	1.4
105.07020	4.0
107.04978	6.1
107.08610	15.4
109.06531	1.5
109.10168	6.2
111.04432	1.4
111.08059	1.2
117.07048	6.0
119.08604	6.3
121.06487	4.0
121.10175	9.6
123.11721	2.8
130.07782	1.6
133.08649	2.6
133.10155	2.7
135.11708	35.0
139.07532	1.4
145.10141	20.1
150.65987	1.1
163.11195	50.7
177.11217	1.9
181.12259	7.7
199.95209	1.2
227.12819	67.7
239.23544	1.6
256.26273	2.3
257.24811	1.2
283.15424	69.9
283.26254	5.7
300.28983	4.5
311.29282	1.2
313.27399	100.0
323.09930	1.3
434.37747	1.3
521.38458	82.0
556.53076	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	556.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
54.69764	1.2
55.01876	2.0
55.05516	34.3
57.03186	1.9
57.03443	17.9
57.07080	16.3
59.04997	1.6
62.56949	1.2
65.03967	1.2
67.05186	1.6
67.05510	22.4
69.03427	3.4
69.07072	37.8
70.06601	1.4
71.04986	3.4
71.08641	11.2
71.53855	1.2
79.05499	20.4
81.03419	41.3
81.07059	29.1
83.04991	12.0
83.08624	50.8
85.02916	22.6
85.06557	2.3
85.10177	5.5
87.04428	1.4
88.07657	1.3
88.18775	1.2
88.59731	1.2
89.06045	11.1
89.54116	1.1
91.05477	25.0
91.72485	1.1
93.07047	15.5
95.04976	20.0
95.08617	15.9
97.02888	2.1
97.06527	4.7
97.10172	25.4
102.75008	1.3
105.07031	17.0
107.04946	5.0
107.08582	9.2
109.06528	3.2
109.10139	4.4
111.04387	1.4
111.08121	8.5
111.11732	6.6
113.05991	1.4
115.05462	1.4
117.07004	1.9
119.08579	17.6
121.06509	2.6
121.10148	10.6
123.08100	1.8
123.11696	2.0
129.07025	9.7
131.08578	8.8
133.06590	2.3
133.08632	6.4
133.10123	10.7
135.11690	4.5
137.13239	2.3
142.07793	3.0
145.10141	2.0
147.08031	2.9
147.11682	12.5
149.09631	4.2
157.10155	8.5
165.12767	3.0
175.11206	10.4
177.11229	1.8
193.12267	34.0
211.13290	42.2
219.21349	1.7
237.22200	2.8
267.15936	13.6
283.26389	13.4
285.16980	47.5
300.28989	2.4
305.38593	1.2
311.25851	77.3
311.29410	4.8
371.22763	5.7
503.37424	14.0
521.38385	100.0
522.39252	1.6
556.52991	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	556.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.05513	15.4
56.73438	1.7
57.03430	7.1
57.07076	18.4
67.05508	21.5
69.07072	25.9
70.06595	12.6
71.04991	2.4
71.08629	12.1
72.08164	1.9
73.02899	1.8
75.97942	1.4
79.05502	9.4
80.01913	1.3
81.07059	32.1
83.04982	2.2
83.08620	18.6
84.08135	1.5
85.10185	5.3
86.09708	2.9
88.07627	4.8
89.06029	11.9
91.05470	6.3
93.07050	13.1
95.04985	1.6
95.08614	22.8
97.06536	6.0
97.10181	5.4
99.64394	1.3
102.09184	4.0
105.07032	4.6
107.08582	9.9
107.62713	1.3
109.10153	10.3
111.08115	2.9
111.11653	1.8
119.08588	3.1
121.10149	8.8
123.11729	4.4
125.09605	1.8
130.15057	1.8
131.08545	3.0
132.10199	4.1
133.08600	7.6
133.10170	3.0
135.11684	2.6
137.13258	1.5
145.10101	2.5
146.11794	6.4
149.13254	10.1
161.13373	2.1
163.14879	2.4
167.14340	4.9
177.11252	4.0
185.15378	1.5
212.23769	2.6
216.99149	1.7
228.23370	1.9
241.18048	4.6
245.22682	5.5
256.26318	11.2
259.19067	48.7
263.23727	6.6
283.15350	7.5
283.26331	39.4
300.28946	20.7
311.29669	4.9
313.27335	8.5
337.27325	27.3
371.22906	4.6
521.42462	28.8
556.53003	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	556.9664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98636	0.3
56.96301	0.2
56.96571	4.3
63.81512	0.2
69.23676	0.3
69.24066	1.7
71.95271	1.4
98.20803	0.4
98.97588	69.2
116.98627	31.7
130.93335	0.4
134.99667	8.5
140.00204	0.8
153.00691	0.9
154.93343	0.4
158.68784	0.2
172.94356	3.3
190.95392	2.5
190.96872	0.3
197.95212	0.3
208.96466	0.7
214.95390	3.7
224.65828	0.2
230.93379	0.2
230.98537	0.3
232.96480	6.5
234.99832	0.2
241.94221	0.2
250.97543	2.4
256.96432	19.1
257.96890	0.3
258.97195	0.3
258.99896	1.5
260.99918	0.3
261.03104	0.2
272.94650	0.3
273.99149	0.3
274.97519	100.0
275.97858	0.9
276.97940	0.4
277.00885	1.8
278.01266	0.3
283.00031	0.4
284.99707	0.3
288.99023	0.3
290.95563	0.5
292.98575	45.1
293.99146	0.3
297.99112	2.6
298.97858	0.5
302.01343	0.3
303.00894	0.5
304.00906	0.2
307.00323	0.3
310.99527	0.2
314.95486	0.5
316.00107	1.1
316.98730	0.5
317.98840	0.3
318.98639	0.5
330.93228	0.3
332.96609	0.6
372.94641	0.3
388.91907	0.2
390.95596	0.3
398.97583	4.8
401.01416	0.2
414.95389	34.8
415.95224	0.2
416.98734	7.7
430.93414	0.6
432.96475	33.6
434.99994	1.0
440.00687	0.2
450.97549	3.1
455.98004	2.1
456.96808	0.2
472.94443	0.9
490.94232	0.2
514.95551	0.8
556.96576	16.3
572.94067	0.6
574.96899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1995
Annotation	Roritoxin D
Peak:m/z	Relative Intensity
66.56097	0.3
67.92973	0.3
68.59608	0.3
69.03410	0.5
69.07062	0.4
69.08691	0.3
70.80080	0.3
71.05856	0.3
71.06194	0.6
73.53827	0.4
79.05495	0.4
81.03413	0.6
81.07047	0.8
85.02920	0.5
91.05448	0.4
92.70067	0.3
93.07061	0.6
95.08612	0.8
96.04694	0.3
97.02888	0.4
107.08585	0.3
109.10167	0.7
112.38622	0.3
121.10150	0.4
121.47563	0.3
127.03907	0.6
131.04933	0.6
135.04431	0.8
137.05965	0.6
163.03938	3.7
164.52202	0.3
185.04266	0.9
197.09576	0.3
215.10626	0.8
215.55730	0.4
233.11656	0.5
244.33514	0.3
291.19305	0.3
309.09421	0.8
350.41461	0.4
395.14810	1.3
453.91003	0.3
555.21619	0.4
557.19940	100.0
558.20233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01571	1.0
50.90964	0.9
51.05575	1.0
53.03939	3.8
55.01868	2.9
55.05515	19.7
56.85590	0.9
57.03439	6.8
57.07071	3.1
65.03957	2.2
67.05505	30.7
69.03425	1.1
69.07069	12.3
71.05002	3.3
79.05496	30.4
79.27713	1.0
81.03432	2.6
81.07061	30.9
81.07535	2.0
83.04983	4.0
83.08614	7.6
85.06543	2.9
91.05482	29.8
93.07047	29.3
95.04976	4.5
95.08616	20.3
97.06539	2.8
97.10181	4.0
105.07034	27.3
106.21712	0.9
107.04989	3.0
107.08595	16.6
109.06507	2.3
109.10159	9.3
111.02378	1.1
115.05457	1.7
116.06311	1.1
117.07015	12.3
119.08584	22.8
119.09376	1.8
121.06497	1.4
121.10144	8.3
123.08074	3.1
123.11699	1.6
125.09641	2.2
128.06258	5.2
129.07001	14.9
131.08577	23.4
133.06508	1.1
133.10138	12.9
135.08165	1.3
135.11710	5.2
139.11121	1.1
141.06995	6.8
142.07809	2.6
143.08556	20.4
145.06535	1.9
145.10130	21.6
147.08017	1.9
147.11682	17.2
149.09659	1.3
149.13312	3.5
153.06941	1.2
154.07837	1.9
155.08571	14.3
156.09372	3.3
157.10124	16.4
159.08089	2.0
159.10439	1.6
159.11699	14.4
159.89885	1.0
161.13293	9.1
163.11250	1.6
163.14816	2.0
165.07030	1.8
166.07770	1.0
167.08609	6.2
168.09375	2.8
169.10127	20.5
170.10959	1.1
171.11700	18.6
173.13255	11.6
175.11269	1.4
175.14868	3.7
177.12851	2.0
179.08568	2.2
181.10127	10.7
182.10985	1.6
183.08388	1.0
183.11702	15.7
184.12367	1.2
185.13268	11.8
187.11377	1.4
187.14890	3.5
189.12820	2.1
193.10144	3.1
195.11722	10.2
197.13281	12.0
199.11288	1.4
199.13315	1.2
199.14865	7.9
201.16481	1.4
205.10139	1.2
207.11711	2.0
207.13821	2.4
209.13297	7.7
211.14833	7.8
213.16414	6.3
219.11781	1.7
221.13364	2.9
223.14781	4.9
225.16422	2.5
229.15929	1.3
229.46033	1.2
231.17453	2.2
231.21037	1.2
233.13309	1.4
235.14777	3.3
237.16515	2.7
239.17986	2.2
241.19516	7.0
247.14865	1.2
247.17006	1.8
249.16408	1.3
251.18069	1.5
257.19043	1.7
259.20590	13.2
279.16003	4.0
281.17349	9.1
287.20248	1.9
295.23666	1.3
297.22150	2.2
299.20044	1.3
307.20526	1.2
309.22070	2.0
315.23346	1.8
321.22125	3.7
323.23834	3.1
327.23047	1.4
333.24411	5.8
335.23755	2.2
339.22964	1.4
341.24777	1.3
349.25113	1.6
353.24695	1.2
363.27271	1.3
419.33188	2.6
429.31622	4.4
435.32358	1.6
437.34183	10.3
447.32684	22.5
447.38437	1.3
465.33685	20.9
483.34583	15.1
501.35956	2.6
503.35330	1.4
511.38037	2.6
521.36200	9.5
527.37323	1.9
529.38605	7.3
539.37317	100.0
557.38446	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	557.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
54.24462	1.0
55.01879	2.0
55.05273	1.6
55.05517	18.7
56.18731	0.9
57.03434	4.6
57.07067	3.7
59.42776	0.8
65.03957	1.6
67.05511	34.3
67.96552	0.8
69.03416	0.9
69.07076	11.5
71.04993	2.4
71.08650	1.0
71.38444	1.6
72.08134	3.3
73.06564	0.9
79.05495	30.1
81.03422	2.5
81.07060	30.2
83.04978	3.1
83.08624	8.0
85.06567	1.9
87.04473	1.2
89.06036	2.2
91.05482	29.6
93.07052	28.7
95.04975	5.8
95.08608	22.3
97.06551	3.0
97.10173	4.6
102.35339	1.0
103.05431	1.4
105.04524	1.2
105.07036	29.1
107.04974	2.9
107.08598	14.8
109.06523	2.5
109.10168	8.9
111.08076	2.0
111.11792	0.8
113.86002	0.8
115.05439	1.1
117.07014	13.1
119.08589	24.7
121.06525	1.8
121.10146	10.7
123.08098	3.0
123.11745	1.9
125.09644	2.4
128.06230	4.8
129.07021	16.3
131.08571	23.1
133.06560	1.2
133.10141	14.1
135.08058	1.9
135.11684	6.2
137.09668	1.6
141.06946	6.1
142.07820	3.7
143.08574	18.5
144.09375	1.3
145.06477	1.5
145.09073	1.5
145.10139	23.1
147.08072	1.8
147.11694	14.1
149.09605	1.2
149.13197	4.1
151.11145	1.5
153.07050	1.7
154.07784	1.6
155.08560	16.0
156.09375	1.4
157.10144	15.9
157.11336	1.4
159.08075	2.1
159.11711	15.0
161.09671	2.1
161.13281	10.9
163.11237	2.1
165.07050	2.1
165.12807	1.2
167.08566	5.2
168.09351	3.0
169.10143	19.1
171.08055	1.3
171.11711	19.1
173.09610	1.2
173.13271	10.1
175.11186	1.7
175.14828	4.7
177.12798	1.4
179.08598	2.0
179.14365	1.3
181.10120	10.0
182.10930	1.8
183.11682	12.1
185.13283	11.3
187.11198	1.9
187.14851	4.0
189.12805	1.9
189.16504	0.8
193.10162	2.2
194.10962	1.3
195.11699	9.1
197.13278	11.4
199.11142	1.0
199.14853	7.3
201.16472	2.0
205.10231	1.9
207.11707	2.7
207.13828	4.5
209.13234	5.9
211.13022	1.1
211.14836	8.2
213.16417	7.4
215.14388	1.0
219.11714	0.9
220.63437	0.9
221.13329	2.7
223.14868	5.7
225.16412	3.0
227.17957	0.9
231.21194	1.7
233.13261	1.2
235.14958	2.2
237.16412	3.0
239.17986	1.4
241.14276	1.3
241.19514	8.8
247.17078	1.6
249.16357	1.0
251.17896	1.3
257.19165	1.9
259.20621	14.1
261.22079	1.4
265.19882	1.0
271.16983	1.2
277.21753	1.7
279.15985	2.7
281.17377	10.6
283.20749	1.2
287.20078	1.4
295.20724	1.5
297.22202	2.6
299.23795	1.1
305.22617	1.0
307.24091	0.9
309.21851	1.1
311.20248	1.1
313.21793	1.3
321.22260	1.7
323.23694	2.7
325.25296	1.4
327.23224	1.6
333.24460	5.2
335.23917	2.4
337.25140	1.8
339.23245	1.8
341.24854	1.5
349.25339	2.0
353.24731	2.3
361.24896	1.0
367.26392	1.7
391.26334	1.1
419.33060	3.2
429.31512	4.6
435.32626	1.8
437.34143	9.6
447.32602	22.8
465.33725	24.2
483.34766	12.1
493.36621	1.0
501.35571	2.4
503.35416	2.2
511.37723	2.7
521.36359	8.8
527.37421	3.0
529.38879	7.6
539.37360	100.0
557.38397	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.1
55.01874	3.4
55.05515	16.5
57.03442	5.4
57.07080	1.9
65.03949	1.8
67.05509	31.1
69.07075	14.8
71.05006	2.9
71.08655	1.2
71.91929	1.0
79.05497	29.3
81.03422	3.3
81.07063	32.1
81.07535	1.8
83.05001	3.9
83.08626	9.8
85.06567	2.6
86.00068	1.1
91.05485	29.2
93.07050	27.2
95.04978	5.5
95.08611	24.4
95.09177	1.6
97.06547	4.9
97.10186	3.6
103.05499	1.0
105.07033	25.2
105.07695	1.7
107.04993	3.5
107.08601	16.0
109.06551	2.2
109.10162	9.0
111.08108	1.4
113.20736	1.0
115.05447	1.7
117.07035	13.2
119.08591	22.0
121.06516	1.6
121.10133	10.5
121.10781	0.9
123.08073	2.6
123.11745	2.6
125.09652	1.4
128.06252	3.9
129.07010	14.4
131.08571	24.5
131.09514	1.2
133.10165	14.0
135.08037	1.8
135.11731	6.3
137.09679	2.0
141.07027	6.3
142.07808	3.4
143.08575	20.9
145.06502	2.6
145.10136	23.9
147.08087	3.5
147.11687	13.1
147.12642	1.2
149.09628	2.2
149.13300	3.9
153.07063	1.7
154.07837	2.0
155.08539	13.7
156.09395	1.9
157.10132	15.2
157.11282	1.0
159.08109	1.8
159.11708	15.8
161.09685	1.4
161.13271	9.3
163.11183	2.0
163.15021	1.3
165.07057	2.1
166.07909	1.8
167.08640	6.5
168.09438	2.1
169.10144	19.9
170.10890	1.2
171.08151	2.1
171.11707	18.9
173.09677	2.0
173.13281	12.0
175.11214	1.7
175.14902	4.0
179.08653	1.5
179.14384	1.6
180.09349	2.3
181.10129	11.7
181.11357	1.0
182.10907	1.8
183.11699	18.2
185.09715	1.5
185.13274	11.4
187.11237	2.9
187.14793	5.0
189.12814	3.0
193.10211	2.4
194.11044	1.9
195.11668	11.1
197.13264	13.2
197.14818	1.3
199.14824	6.1
201.12852	1.5
201.16495	2.6
205.10339	1.3
207.11783	5.4
207.13925	2.8
209.13228	7.3
211.14854	7.9
213.16333	7.2
215.14238	1.0
217.19864	1.0
219.11780	2.3
219.17509	1.3
221.13379	4.4
223.14769	5.0
225.16515	3.0
227.18013	1.3
231.17409	1.5
233.13315	2.4
235.14891	3.3
237.16483	4.2
239.18083	2.9
241.14333	1.3
241.19716	3.6
247.17082	2.4
249.16441	2.1
249.18782	1.2
257.19250	1.8
259.20532	9.1
272.26093	1.1
275.17767	1.3
275.20395	2.4
279.16086	3.0
279.21231	1.1
281.17377	7.6
283.20502	1.1
295.20837	1.1
297.18893	1.5
297.22198	2.0
307.20752	2.1
311.23917	1.4
313.21707	2.3
315.23413	1.8
321.22165	2.5
323.20242	1.3
323.23911	3.8
325.21887	1.7
325.25385	1.5
333.24469	4.4
335.23877	1.3
337.25266	1.8
339.23547	1.1
349.25214	1.5
353.24744	1.9
357.24561	1.2
419.33356	3.5
429.31769	4.8
437.34131	8.4
447.32709	21.5
465.33707	24.2
483.34726	17.0
483.40582	1.4
501.35938	3.1
503.35754	1.2
511.37512	1.3
521.36377	8.8
527.37604	3.4
529.38940	8.0
539.37347	100.0
557.38562	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	558.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
54.55478	1.2
55.01863	2.5
55.05515	14.7
57.03439	15.5
57.07079	32.3
65.03933	1.7
67.05508	25.0
69.03436	2.3
69.07072	11.0
71.04981	3.7
71.08636	24.0
71.38507	2.1
78.40021	1.3
79.05489	17.8
81.03423	42.3
81.07062	30.5
83.04991	11.9
83.08628	23.3
85.02918	16.5
85.10187	12.2
89.06065	2.1
91.05486	23.1
93.07050	11.6
95.04979	18.7
95.08620	19.2
97.02883	3.6
97.06538	2.2
97.10194	6.4
99.08073	1.9
103.07544	1.3
105.07050	18.0
107.04958	4.9
107.08587	5.0
109.06512	3.7
109.10157	7.6
111.04403	1.7
111.08079	7.2
113.05984	2.1
113.33887	1.2
119.08588	12.6
121.10143	6.9
123.08072	2.4
123.11692	4.3
125.09666	1.2
129.07028	7.9
131.08566	10.5
133.06522	2.0
133.10130	6.4
133.60446	1.2
137.09622	2.4
137.13289	2.1
142.07724	1.1
145.10095	2.0
147.11707	10.5
149.09602	4.7
157.10114	10.9
162.86342	1.3
165.12756	2.1
175.11194	12.1
193.12257	39.6
211.13307	66.4
239.23672	2.6
257.24719	2.3
267.15942	17.1
285.16986	73.7
313.27377	100.0
328.07138	1.4
363.65240	1.4
505.38913	14.7
523.39990	77.2
545.71466	1.4
558.53430	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	558.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14430	3.4
55.05504	11.1
57.03434	5.3
57.07075	21.5
67.05499	12.9
69.03440	5.2
69.07069	7.3
69.81854	3.4
69.82159	18.7
71.08627	20.7
79.05489	11.6
81.03417	48.5
81.07055	23.8
83.04967	7.9
83.08621	20.6
85.02910	12.0
85.10177	14.9
89.06044	4.7
91.05481	12.5
93.07062	8.4
95.04971	14.4
95.08617	17.3
97.10184	6.9
105.07017	10.7
109.10141	10.4
110.64203	3.0
111.08107	7.0
115.96712	3.2
118.06608	3.5
118.67087	3.0
119.08583	9.2
121.10105	5.3
129.06961	7.3
131.08627	4.8
133.10130	6.7
147.11658	3.8
149.09627	4.6
157.10150	9.2
160.08463	3.4
175.11221	9.3
178.95198	3.2
193.12267	31.1
205.07712	3.6
211.13281	53.9
228.04970	3.8
267.16043	5.8
285.17001	35.0
313.27341	62.3
505.38943	7.2
508.30804	3.6
523.39923	100.0
558.22418	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	559.1579
Annotation	Planifolin
Peak:m/z	Relative Intensity
51.09544	0.8
53.03944	1.1
55.05530	0.8
57.75053	0.8
58.87162	1.0
67.05492	1.2
69.03417	1.4
69.07039	1.2
71.53029	1.1
79.05482	1.3
81.03392	1.4
81.07056	3.6
85.02935	1.3
85.86990	0.9
86.09708	1.0
91.05483	2.5
93.07044	4.9
95.05019	1.0
95.08595	1.5
105.07027	2.0
107.08640	1.3
109.02895	1.5
121.10181	3.5
123.11729	1.5
127.03934	1.2
127.14391	0.9
137.06007	3.5
145.10182	1.2
149.02318	1.2
149.09613	2.2
151.07574	1.1
163.03918	5.7
164.04277	1.4
165.48912	1.0
167.07036	0.9
169.12164	1.0
179.00217	1.0
200.87532	0.9
201.16380	1.0
209.22852	0.8
233.12062	1.1
293.14053	1.2
368.85635	0.9
391.21973	1.0
400.08401	1.4
415.10593	2.7
416.10934	1.4
559.15680	100.0
560.15668	2.2
578.30426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.4
55.05511	10.1
57.03434	1.5
57.07059	3.9
59.04995	2.1
65.03924	1.6
67.05509	18.2
69.03433	4.7
69.07065	5.0
69.62592	5.6
71.04990	10.2
79.05501	7.9
81.03414	7.1
81.07057	100.0
83.08630	2.0
85.02918	6.9
85.06528	5.5
89.06042	2.1
91.05495	5.7
93.07043	11.1
95.04976	6.1
95.08607	20.5
97.02893	2.7
97.10163	12.3
99.04455	1.9
99.08095	1.0
105.07009	2.3
107.08609	5.0
109.02869	9.9
109.06499	4.1
109.10155	2.9
111.04419	1.3
111.08086	2.9
111.30380	0.8
113.06026	1.3
119.04953	6.0
121.06490	1.4
121.10137	2.4
123.08132	1.2
123.11707	75.3
127.03927	15.2
133.10133	4.2
137.05951	1.9
141.12756	2.8
145.04907	0.8
147.04416	4.7
149.06015	1.2
151.11189	14.6
163.03944	2.3
165.05484	2.0
169.12241	63.0
177.09183	0.7
183.06531	1.6
187.13286	19.9
191.03395	2.5
193.04994	3.6
194.44672	1.0
209.04456	5.0
211.05968	5.6
229.07071	3.3
229.14307	2.2
277.14371	3.0
295.15451	10.4
313.16455	7.0
315.15924	1.7
331.17542	28.5
361.16455	12.4
369.91498	0.9
377.16180	0.8
457.39572	0.9
501.94583	1.0
505.20667	1.9
523.21594	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	559.2386
Annotation	Yadanziolide U
Peak:m/z	Relative Intensity
53.03941	2.2
55.05515	10.4
57.03430	1.8
57.07077	3.6
59.04992	2.1
64.52872	0.7
65.03927	1.0
67.05506	22.5
69.03439	6.1
69.07073	5.7
71.04996	10.8
74.81168	0.7
76.70235	0.7
79.05486	5.4
81.03426	7.6
81.07059	100.0
83.04972	0.9
83.08608	2.2
85.02901	7.5
85.06564	6.8
89.06014	2.4
91.05486	4.7
93.07054	9.9
95.04969	6.7
95.08611	18.9
97.02894	3.0
97.06532	1.2
97.10188	11.8
99.08098	2.0
105.07043	3.9
107.08624	4.5
109.02883	10.1
109.06526	4.9
109.10152	2.7
111.04459	1.0
111.08070	3.2
111.57994	0.9
113.05980	1.5
119.04958	6.7
121.06528	2.6
121.10124	1.6
123.11710	76.4
125.09634	0.9
127.03919	16.4
129.80446	0.7
130.21626	0.8
133.10132	3.8
137.05983	1.9
138.56815	0.8
139.11186	1.4
141.12741	2.9
145.02885	1.2
147.04431	5.3
149.05995	1.1
151.11195	16.9
154.16432	0.8
163.03922	3.0
165.05493	2.9
169.12245	60.4
173.02399	0.8
175.03860	0.8
176.87511	0.8
183.06598	1.1
187.13303	21.3
191.03426	1.9
193.04991	2.5
208.15039	0.8
209.04480	5.1
211.06047	6.5
228.78638	0.9
229.07056	2.2
229.14404	1.7
249.14830	1.7
277.14285	2.4
295.15424	11.0
313.16519	5.6
315.15927	1.4
331.17523	31.3
361.16440	15.2
447.96548	1.0
487.19470	1.2
505.20563	2.3
523.21588	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	559.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94560	0.9
53.03953	7.1
55.01880	9.1
55.05270	2.0
55.05517	28.6
57.03438	7.1
57.06826	2.1
57.07082	19.6
57.32623	1.1
59.13754	1.1
61.02930	4.6
65.03938	2.2
67.05512	44.2
68.99785	4.3
69.03436	35.0
69.07074	61.2
71.01357	2.0
71.05009	6.0
71.08640	6.9
71.52125	1.8
73.02908	4.3
79.05505	15.2
81.03431	28.0
81.07064	100.0
83.04975	3.3
83.08627	27.2
85.02914	60.9
85.06552	89.5
85.10191	3.0
87.00841	25.6
91.05494	9.9
93.07053	23.3
95.04977	7.0
95.08617	97.1
96.04192	1.1
97.02901	23.7
97.06545	5.7
97.10175	19.9
99.04467	10.0
99.08105	14.8
100.27328	1.3
105.01884	25.3
105.05683	1.0
105.07037	11.5
107.04984	3.5
107.08613	22.7
109.02882	19.4
109.06532	3.9
109.10167	55.2
111.04459	3.4
111.08118	7.4
111.11739	15.7
113.09678	4.9
115.03929	4.3
115.05514	1.0
117.01879	2.2
117.07056	3.5
119.08598	8.0
121.06564	2.1
121.10150	18.1
123.04462	2.7
123.08065	2.9
123.11723	33.5
125.05978	1.0
125.09636	4.5
125.13288	7.2
127.03934	41.5
127.11217	3.5
129.01849	2.7
129.05518	1.3
129.07065	1.1
129.12801	2.2
131.08591	4.7
133.10170	5.7
135.08086	3.4
135.11708	12.5
137.05968	3.3
137.09624	1.4
137.13290	14.4
139.11201	1.6
139.14825	1.5
143.08618	3.0
143.14355	2.2
145.04990	11.1
145.10153	4.7
147.02925	1.8
147.04436	2.9
147.08069	3.2
147.10634	0.9
147.11655	5.4
149.05943	1.0
149.09631	2.7
149.13277	15.4
151.07578	2.4
151.11165	1.4
151.14816	12.5
153.09059	1.5
153.12735	1.1
157.06560	1.1
157.10152	2.1
159.02933	6.7
159.08070	2.7
159.11731	4.7
161.09604	1.5
161.13275	4.3
163.03934	2.2
163.11180	1.5
163.14842	10.0
165.09195	3.4
165.12819	1.3
165.16443	5.5
167.14447	1.1
169.10136	1.6
169.15921	2.1
171.08073	1.4
171.11720	2.7
173.09621	1.7
173.13271	3.2
175.11159	1.7
175.14844	1.8
177.16412	4.4
179.17963	3.9
183.17426	2.1
185.13300	2.0
187.11258	1.3
187.14807	1.6
189.03934	2.2
189.09248	2.1
191.10649	2.1
191.17993	2.6
193.12349	1.3
193.19539	1.3
197.19020	2.5
199.14738	1.4
201.03987	1.4
201.16440	1.9
203.17946	2.0
205.19617	2.7
213.04068	2.0
219.21014	2.5
219.44276	1.3
223.20587	1.3
227.17943	1.3
229.15968	1.3
231.04991	9.0
249.06012	1.3
275.27328	7.0
281.28436	25.9
291.27051	1.6
293.28409	35.6
303.26822	1.5
305.28607	2.0
309.27850	1.9
311.29462	28.4
317.28647	2.0
333.27957	1.3
335.29541	2.4
347.28809	1.2
377.30475	2.0
383.29541	5.4
401.30554	8.9
419.31589	4.7
479.33542	1.5
487.30478	4.9
505.31699	6.1
523.32532	2.9
559.19501	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	559.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.3
53.52462	1.6
55.01867	7.7
55.05273	2.1
55.05516	25.8
57.03448	7.8
57.07082	22.2
61.02927	4.3
65.03960	1.9
66.89867	1.6
67.05513	43.4
68.99797	3.6
69.03439	39.8
69.07076	51.2
71.01349	3.1
71.04985	4.8
71.08636	6.5
72.15279	1.7
73.02911	5.1
79.05505	14.6
81.03425	31.8
81.07065	97.1
83.04968	3.0
83.08627	34.3
85.02914	64.9
85.06549	91.0
85.10192	3.1
87.00842	29.0
87.04469	2.6
91.04977	1.5
91.05474	9.9
93.07049	28.0
95.04990	8.0
95.08614	100.0
97.02901	24.9
97.06532	6.4
97.10168	23.9
99.04465	9.7
99.08113	14.9
105.01871	23.7
105.07047	12.2
107.08591	23.6
109.02888	20.7
109.06553	5.1
109.10160	51.9
111.04469	3.8
111.08079	8.3
111.11728	14.3
113.09623	3.4
115.03925	3.1
117.07003	4.0
119.08611	11.2
121.06527	3.1
121.10139	17.2
123.04456	2.1
123.08096	4.0
123.11716	36.7
125.09630	4.9
125.13280	7.0
127.03934	42.3
127.11259	2.2
129.01877	2.7
129.06995	3.2
129.12720	2.2
131.08586	5.8
133.10136	4.0
135.08086	2.6
135.11700	12.1
136.70062	1.4
137.05986	3.7
137.13257	13.7
139.11147	2.5
139.14810	1.9
143.08575	2.9
143.14328	2.5
145.04977	10.9
145.10130	6.0
147.04430	2.4
147.08083	3.0
147.11676	5.2
149.09654	4.6
149.13286	16.0
151.14838	11.3
155.14337	1.9
157.10127	3.1
159.02908	6.9
159.08136	1.9
159.11717	5.2
161.09610	2.5
161.13275	3.6
163.07584	2.1
163.14827	9.3
165.09087	2.4
165.16399	7.0
169.10216	1.8
169.12238	1.8
169.15912	1.9
173.09613	2.9
173.13239	3.9
175.11201	3.1
175.14827	2.7
177.16417	5.4
179.17978	4.3
189.03964	2.1
189.12755	1.9
191.10667	3.6
191.17990	2.6
193.19518	1.6
205.19618	2.7
211.20631	1.6
213.03914	2.5
219.21136	4.4
223.20598	1.6
228.46141	1.6
231.05035	7.1
249.06203	2.4
263.27469	2.5
275.27271	7.7
281.28378	23.3
293.28424	31.3
309.27902	1.8
311.29480	27.7
315.27173	2.0
335.29230	2.3
352.70825	1.6
383.29449	6.0
401.30527	10.6
419.31577	3.0
475.30057	2.0
487.30600	5.5
490.33728	1.8
505.31458	7.9
523.33063	2.9
559.19092	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	559.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89931	1.3
53.03951	6.9
55.01871	6.2
55.05518	23.8
56.95802	1.3
57.03437	4.2
57.07081	10.8
59.24335	1.3
61.02914	3.5
61.44917	1.2
64.77419	1.5
64.99222	1.3
67.05515	36.3
68.99780	2.7
69.03090	1.8
69.03438	25.2
69.07074	53.9
69.25979	9.4
69.26398	3.1
71.01371	1.9
71.04986	3.9
71.08630	6.5
73.02911	3.3
79.05494	13.8
81.03429	17.8
81.07062	100.0
83.04973	2.0
83.08620	28.7
85.02911	49.7
85.06552	20.3
85.07037	2.4
85.10184	3.4
87.00835	23.9
91.05488	6.2
93.07049	18.1
95.04984	4.9
95.08615	93.7
97.02907	18.1
97.06552	4.1
97.10180	19.4
99.04471	7.7
99.08108	13.7
105.01878	26.9
105.07030	8.1
105.83592	1.2
107.08600	18.5
109.02895	13.4
109.06566	2.1
109.10166	52.1
111.04469	2.7
111.08090	8.5
111.11727	15.0
112.13545	1.3
113.09667	2.9
115.03948	3.8
115.05390	1.5
117.01834	1.9
119.08593	7.7
121.06532	2.0
121.10153	10.9
123.11716	29.8
125.09670	3.4
125.13273	5.9
127.03931	32.1
127.11237	2.6
129.07013	2.1
129.12781	2.4
131.08548	3.7
133.10138	5.8
135.08047	1.8
135.11751	7.9
136.76003	1.4
137.05922	1.9
137.09613	1.5
137.13271	12.7
139.14780	1.4
143.08615	2.3
143.14348	2.3
145.04976	11.0
145.10143	3.3
147.04369	1.5
147.08017	2.7
147.11754	4.1
149.09660	3.0
149.13264	12.5
151.14824	13.5
157.15904	2.3
159.02933	4.2
159.11748	2.4
161.13275	3.2
163.14845	8.4
165.09081	2.1
165.16447	7.2
167.14310	2.1
169.15936	2.8
173.13263	3.1
175.11261	2.1
177.16316	3.4
179.17947	3.8
183.17596	2.5
191.10616	1.9
191.17889	3.2
193.19547	3.3
199.20563	1.9
205.19518	2.3
211.20621	2.1
213.03949	1.9
219.21060	2.3
231.04982	7.8
237.22198	1.7
246.91519	1.4
249.06021	2.5
275.27417	7.0
281.28442	7.1
293.28400	17.3
311.29526	24.6
325.31696	1.4
333.27945	1.4
341.28586	1.6
377.30325	2.4
383.29358	4.6
389.82983	1.2
401.30774	8.0
419.31454	5.1
487.30801	3.4
505.31543	5.3
523.32745	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	559.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65875	2.3
52.05356	2.2
53.03938	6.5
55.01865	8.4
55.05507	22.5
57.03424	8.6
57.07084	13.2
61.02910	3.3
64.52200	2.3
67.05193	2.6
67.05508	35.7
69.03092	2.6
69.03427	29.2
69.07069	48.1
70.98177	5.8
71.04977	7.8
71.08639	5.0
73.02898	3.1
79.05489	15.5
81.03420	21.5
81.07056	100.0
83.04974	2.2
83.08611	24.7
84.08203	2.4
85.02908	49.0
85.06555	20.8
87.00831	18.9
91.05488	14.5
93.07043	24.6
95.04958	5.2
95.08609	80.8
97.02889	22.3
97.06541	5.5
97.10163	16.4
98.98556	2.7
99.04448	8.3
99.08097	14.2
104.08874	2.7
105.01881	18.7
105.07038	15.1
107.08590	19.8
109.02901	16.6
109.06510	5.6
109.10165	51.4
111.04414	3.8
111.08070	10.0
111.11718	13.3
113.09621	2.7
115.03998	3.2
119.08565	9.7
121.06506	3.6
121.10143	15.0
123.04405	3.2
123.08105	4.5
123.11698	37.4
125.05956	3.7
125.09591	4.5
125.13250	7.7
127.03908	31.3
129.07005	3.6
131.08542	9.2
133.10139	8.0
135.04385	5.0
135.11693	9.3
137.05937	8.7
137.13251	12.1
143.08652	4.1
143.14322	2.8
145.04921	11.6
145.10094	9.7
147.04405	10.7
147.11674	6.6
149.09596	3.5
149.13248	12.6
151.07512	3.1
151.11171	2.6
151.14807	8.0
157.10156	4.0
159.02879	4.2
159.08073	3.2
159.11681	6.2
161.13293	5.6
163.03893	16.1
163.14781	5.3
164.04297	4.4
165.09119	3.1
165.16396	5.6
167.08575	2.8
168.69147	2.6
169.10196	2.1
169.12125	3.4
173.13191	3.0
177.16438	4.5
179.17879	2.9
181.10153	2.5
185.09631	3.5
189.09077	3.4
191.18011	3.6
193.19588	2.5
201.16374	3.5
211.14861	2.6
215.17870	2.3
231.04916	4.9
233.11774	3.1
259.20270	2.3
275.27390	6.4
281.28372	7.7
293.28357	12.5
311.29419	23.3
383.29605	4.4
398.03574	2.2
401.30417	4.2
487.30301	5.0
505.31958	2.6
523.32001	2.9
559.18915	3.5
559.27832	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	559.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.3
53.13247	1.6
55.01860	6.4
55.05513	21.8
57.03419	6.8
57.07077	13.2
61.02917	4.6
67.05190	2.4
67.05509	29.7
68.99811	1.8
69.03088	2.8
69.03429	38.3
69.07071	58.6
71.04978	5.8
71.08617	7.2
72.75061	1.7
73.02902	3.9
78.44023	1.9
79.05142	1.5
79.05499	15.5
81.03418	26.0
81.07059	100.0
82.06746	1.7
83.04966	1.8
83.08158	2.8
83.08621	38.6
85.02904	74.6
85.06547	13.0
85.10176	3.0
85.13196	1.8
86.01932	2.0
87.00826	36.5
91.05479	12.4
93.07047	28.6
95.04960	6.7
95.08607	89.0
97.02894	26.1
97.06504	8.4
97.10165	19.6
99.04467	10.7
99.08059	7.8
105.01200	3.1
105.01868	47.3
105.04494	2.1
105.07036	11.5
107.04971	2.7
107.08584	27.7
109.02878	20.1
109.06494	3.4
109.10155	59.4
111.08105	10.1
111.11720	14.5
113.09583	2.3
115.03910	5.5
117.06989	2.4
119.08574	9.6
121.06478	4.3
121.10139	19.6
123.08067	2.3
123.11717	34.9
125.09628	3.9
125.13271	11.0
127.03922	46.2
129.01839	3.9
129.06978	3.9
131.08533	5.6
133.10092	7.1
135.08076	2.8
135.11722	13.1
137.05968	3.4
137.09618	2.0
137.13254	19.9
139.07544	2.3
139.14841	2.1
143.08534	4.0
145.04948	15.4
145.10098	5.1
147.02826	2.2
147.11661	6.9
149.13264	31.6
151.14815	8.9
153.12738	4.5
155.14305	2.6
156.40291	1.9
157.10126	4.0
159.02869	5.8
159.08109	2.1
159.11612	4.4
161.13239	5.3
163.03905	4.0
163.11160	2.4
163.14851	16.5
165.09113	3.9
165.12740	2.5
165.16370	5.7
167.14301	6.8
169.12015	2.3
173.13266	2.8
175.11139	3.1
177.16367	2.7
179.18004	3.4
187.14662	2.2
189.03923	3.1
191.14214	1.9
193.19487	4.4
195.10060	2.0
205.19511	2.2
213.03929	3.0
219.21068	2.7
231.04965	15.8
248.39874	2.0
249.06129	10.1
249.25867	3.7
275.27316	10.2
281.28537	1.8
293.28455	21.4
294.21451	2.4
305.28293	2.0
383.29395	6.3
401.30545	4.2
402.72351	2.0
487.30637	6.5
505.31558	3.0
523.32440	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	559.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.01866	4.4
55.05511	19.8
57.03432	7.1
57.07078	16.0
57.59943	1.8
61.02923	4.2
67.05511	33.0
68.99765	2.1
69.03434	31.3
69.07074	47.6
69.26353	6.2
69.26775	7.5
71.04987	3.3
71.08630	5.6
73.02906	4.9
79.05489	9.5
81.03429	24.3
81.07059	85.7
83.04995	2.1
83.08621	28.5
85.02910	56.0
85.06555	13.1
85.10187	2.5
87.00835	27.6
91.05474	5.6
92.06140	1.5
93.07047	21.1
95.04996	2.9
95.08611	100.0
97.02894	21.1
97.06544	2.9
97.10177	14.2
98.21539	3.8
99.04440	8.8
99.08085	9.8
105.01868	23.1
105.07046	8.4
107.08605	19.3
109.02889	26.9
109.10162	56.0
111.04442	3.2
111.08069	4.4
111.11732	14.6
115.03923	2.2
117.07069	2.2
119.08572	5.7
121.10159	13.7
123.04450	2.4
123.11721	31.9
125.13277	6.4
127.03925	47.7
129.01802	2.4
129.12764	2.3
131.08591	1.7
133.10097	3.0
135.11707	11.7
137.13274	14.3
139.14801	2.8
143.14297	4.2
145.04947	9.9
145.10143	2.7
147.11650	1.6
149.13260	24.6
151.11031	1.6
151.14835	24.5
157.10179	3.1
157.15886	1.9
159.02893	5.3
159.11694	3.4
161.13272	3.0
163.14792	12.2
165.16418	9.2
167.14484	1.7
169.15953	2.5
175.14833	1.9
177.16473	2.2
179.17993	5.1
183.17508	3.2
189.03957	3.4
191.17981	3.1
193.19426	2.4
205.19489	2.6
211.20581	2.2
213.03839	2.3
217.95598	1.5
219.21078	4.3
223.20595	2.1
231.04984	8.4
237.22156	3.4
249.25694	3.7
267.26816	6.1
275.27319	13.6
281.28381	3.2
291.26920	2.2
293.28400	34.5
305.28409	2.1
311.29419	44.7
367.68311	1.7
383.29489	4.4
401.30429	9.9
487.30646	2.6
505.31403	5.4
512.84576	1.9
523.32758	2.9
541.33734	1.9
584.79370	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	7.1
55.01851	7.2
55.05513	38.7
57.03429	4.5
57.07058	7.0
59.04966	2.7
61.97964	1.9
65.03916	3.6
66.45953	1.8
67.05509	67.1
69.03429	3.8
69.07072	21.5
71.04965	8.0
79.05499	51.7
81.03403	8.1
81.07063	67.9
83.04977	9.7
83.08625	23.3
85.06519	4.3
87.56136	2.3
87.78167	2.4
91.05491	53.7
93.06513	3.8
93.07051	62.9
95.04934	6.6
95.08002	2.4
95.08607	40.4
97.02876	3.2
97.06496	6.1
97.10172	27.5
99.00780	8.0
99.08067	3.6
103.05417	2.8
105.04441	2.3
105.07038	51.3
107.04916	6.6
107.08603	44.4
109.02823	8.1
109.06497	3.0
109.10160	24.1
111.04404	4.5
111.08018	6.0
117.07030	21.1
119.07812	2.9
119.08587	36.5
121.06514	9.8
121.10168	17.5
123.08015	6.3
123.11676	5.8
125.09649	18.2
128.06195	6.2
128.09108	1.7
129.07001	10.9
130.07764	2.8
131.08594	29.9
133.10156	36.3
135.08006	7.3
135.11688	18.8
137.09521	3.6
141.07013	3.9
143.08556	19.2
145.06412	3.7
145.10107	22.5
147.07954	5.8
147.11670	16.0
149.09630	4.1
149.13177	7.3
151.11133	5.6
153.12738	2.6
155.08504	9.2
157.10172	16.9
159.08060	2.7
159.11705	18.0
161.09593	13.4
161.13240	11.7
163.11131	8.2
167.08444	3.7
169.10112	12.9
171.07985	4.0
171.11699	13.3
173.09563	3.5
173.11949	1.9
173.13277	12.3
175.11163	4.6
175.14787	5.6
179.10564	5.1
179.14285	3.6
181.10019	4.8
181.12187	3.5
183.11642	8.8
183.37569	2.0
185.09642	2.7
185.13193	9.3
187.14856	5.0
189.09067	3.8
189.11143	8.8
189.12663	4.0
195.11655	5.6
197.13199	7.6
199.14731	7.2
201.12697	3.7
201.16266	3.4
203.14320	2.1
207.10094	2.6
209.11511	2.6
209.13272	3.6
211.14735	4.8
213.16286	5.0
223.14671	3.0
225.11115	7.3
225.16255	3.8
227.12640	9.0
231.17326	2.0
241.19391	5.9
259.20560	10.7
261.21973	7.2
269.22586	2.6
275.20129	2.5
277.21652	4.9
281.13675	9.2
283.15366	8.8
287.23544	6.1
297.22009	5.9
299.19785	2.5
313.21512	3.8
315.23154	17.0
333.24048	5.7
421.30634	8.6
431.29242	4.3
435.32251	8.7
439.32196	4.4
449.30783	12.4
453.33688	3.3
467.31281	18.0
485.31851	11.7
495.34421	3.2
509.35950	4.8
513.35846	17.9
523.33771	7.1
527.37506	13.2
531.36761	14.5
541.35077	66.1
559.22406	5.2
559.35968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	2.4
53.03926	6.2
55.01838	6.9
55.05514	43.3
57.03406	7.2
57.07047	5.5
58.29580	1.7
65.03916	3.5
67.05507	62.5
69.03394	6.2
69.07072	17.5
69.40806	13.8
71.05000	9.0
71.08604	2.5
71.56827	1.7
79.05497	50.6
81.03377	7.4
81.07059	58.0
82.61015	1.7
83.04996	9.5
83.08623	17.4
84.85435	1.7
85.06528	2.6
88.91798	1.6
90.22060	1.8
91.05485	48.3
93.07050	55.6
95.04937	6.1
95.08089	2.9
95.08607	35.1
97.02847	2.2
97.06528	4.2
97.10176	24.0
99.00822	4.0
103.05379	3.0
105.07034	45.8
107.04888	5.3
107.08599	33.5
109.02814	5.8
109.06465	6.1
109.10163	19.9
111.04395	3.9
111.08064	5.1
115.05411	4.2
117.07021	19.6
119.04871	2.2
119.08582	30.4
121.06467	5.2
121.10149	20.3
123.08034	4.8
123.11639	3.4
125.09644	15.8
128.06142	4.8
129.07005	12.0
131.08566	30.4
133.10138	32.6
135.07973	5.7
135.11707	17.8
137.09587	5.1
141.06914	4.6
142.07706	2.1
143.08546	15.5
145.06439	3.9
145.10123	24.4
147.08006	3.4
147.11673	14.7
149.09557	2.2
149.13208	6.9
151.11079	4.5
153.09105	2.5
153.12671	2.7
155.08467	6.6
156.09258	3.1
157.10138	13.5
159.08032	2.5
159.11708	14.2
161.09590	10.9
161.13264	11.6
163.11136	5.5
165.06816	1.9
167.08557	4.5
168.09264	2.0
169.10028	7.6
171.07962	2.9
171.11742	12.7
173.09557	3.1
173.13208	10.4
175.11125	4.2
175.14761	4.4
179.10583	3.6
179.14183	3.6
181.10017	5.9
181.12172	2.6
183.11551	5.0
185.13170	8.0
187.11057	2.5
187.14702	5.4
189.09100	4.6
189.11105	6.9
189.12607	2.9
191.10614	2.5
193.11977	2.5
195.11584	6.5
197.13196	7.4
199.14731	4.5
201.12708	2.8
207.11781	2.2
209.13358	3.8
211.14775	4.1
213.16457	2.6
223.14725	4.7
225.11124	5.1
227.12686	11.8
231.21054	2.9
239.17792	2.7
241.19353	6.4
243.20879	2.1
252.63507	1.8
257.18881	4.0
259.20584	11.6
261.21912	6.0
275.19916	4.5
277.21753	4.1
279.20850	4.3
281.13690	7.0
283.15332	10.2
285.21942	4.3
287.23489	4.9
297.21881	7.6
299.20090	2.2
313.21460	3.4
315.23193	17.5
333.24036	6.6
421.30511	5.8
421.35745	2.2
431.29068	3.4
435.32260	6.3
439.31741	4.3
449.30408	9.4
453.33002	3.4
457.33002	4.2
467.31082	14.3
485.31757	13.1
509.36115	4.8
513.29089	2.0
513.35834	12.3
515.37213	2.6
523.33655	8.9
527.37286	14.1
531.36676	14.1
541.35077	74.3
559.22754	4.6
559.35864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.9
55.01871	4.6
55.05280	1.7
55.05518	24.6
57.03426	3.3
57.07073	1.7
65.03931	2.2
67.05511	40.7
69.03420	3.4
69.07073	13.3
71.04988	2.1
71.52766	1.9
79.05500	35.5
81.03426	3.3
81.06591	2.4
81.07059	38.7
83.04974	4.7
83.08629	14.7
84.07523	1.2
85.06535	2.6
88.89225	1.2
91.05489	30.3
93.07052	38.9
95.04974	7.6
95.08064	2.0
95.08614	23.3
97.02892	2.8
97.06541	3.9
97.10182	18.5
99.00809	4.3
103.05479	1.2
105.07040	23.5
107.04962	5.4
107.08601	23.5
109.02880	5.3
109.06536	3.3
109.10174	14.9
111.04447	1.6
111.08080	3.8
115.03984	1.6
117.07031	12.2
119.08598	17.8
121.06506	4.3
121.10163	14.4
123.00360	1.3
123.08061	2.0
123.11705	4.0
125.09641	11.1
126.29945	1.3
128.06230	2.1
129.07005	4.9
131.08597	14.6
133.06519	3.5
133.10138	23.9
133.11107	2.0
134.23517	1.1
135.08084	2.4
135.11726	10.5
137.05975	1.7
137.09566	1.6
140.09563	1.3
143.08574	9.0
145.10132	13.4
147.08099	1.7
147.11711	8.7
149.09772	1.1
149.13277	7.6
151.11172	3.4
153.09119	2.7
155.08545	3.4
157.10138	5.9
159.08116	2.5
159.11722	8.7
161.09673	7.6
161.13277	4.6
163.11186	2.6
169.10164	3.6
171.08012	3.3
171.11734	4.9
173.13268	6.1
175.11205	2.0
175.14842	1.8
179.10718	4.7
181.10129	2.1
183.11707	3.7
185.13315	4.1
185.69109	1.4
187.11243	1.5
187.14827	2.5
189.09160	3.6
189.11250	6.1
189.12738	1.7
195.11717	2.9
197.11722	1.5
197.13359	3.3
199.11293	2.3
199.14832	2.3
207.10161	2.2
209.13332	1.5
211.14906	2.5
217.19510	1.5
223.13158	2.1
225.11276	5.6
227.12718	5.8
241.19717	1.7
243.21036	2.7
253.19579	1.5
259.20575	2.9
261.22128	6.1
271.20392	1.4
273.18600	2.2
273.74872	1.3
275.20203	2.3
277.21512	2.8
281.13821	5.9
285.22119	2.0
287.20676	1.3
287.23819	3.7
291.19547	10.1
297.22128	3.2
299.20038	1.6
315.23154	12.7
317.25067	1.4
355.22614	1.2
383.31610	1.3
403.30179	1.8
421.31021	3.9
423.33154	1.2
439.32205	5.7
449.30490	8.3
457.33087	2.4
467.31689	14.0
485.32770	9.7
513.35809	13.2
515.37415	2.6
523.34003	2.7
531.36847	15.0
541.35260	42.1
559.36340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01871	6.1
55.05517	34.4
57.03432	5.9
57.07069	3.0
67.05508	40.2
69.03430	2.5
69.07071	13.0
71.04987	2.4
79.05497	35.4
81.03434	10.2
81.07064	35.2
83.04984	7.8
83.08627	17.2
91.05489	32.2
93.07048	29.7
95.04984	6.8
95.08618	20.6
97.06547	5.2
97.10180	22.4
103.05472	1.4
105.04545	2.0
105.07037	29.5
105.07703	2.5
107.04986	4.6
107.08598	22.8
109.06570	2.9
109.10178	11.2
111.04449	1.7
111.08100	3.4
115.05503	2.9
117.07024	20.7
119.08584	23.8
121.06557	2.5
121.10142	13.2
123.08068	4.2
123.11722	2.5
125.09634	20.0
128.06270	3.8
129.07002	11.8
130.07784	1.7
131.08574	22.5
133.06535	1.7
133.10136	15.0
135.08096	5.2
135.11684	10.2
137.09683	2.0
139.91814	1.2
141.07037	3.3
142.07773	2.4
142.32770	1.3
143.08562	12.3
145.06497	3.2
145.10126	21.6
147.08096	3.6
147.11693	11.7
149.09622	2.3
149.13304	2.4
153.09148	3.5
153.12796	2.7
153.16818	1.5
155.08606	5.4
156.09372	1.9
157.06480	1.7
157.10153	9.8
159.08083	4.0
159.11681	13.2
161.13300	6.8
163.11211	8.3
167.08611	3.2
169.10094	7.1
171.10373	2.4
171.11673	11.4
171.35303	1.4
173.09644	3.6
173.13245	9.2
175.11342	1.9
175.14865	3.6
177.12839	1.6
181.10179	3.4
183.11737	6.1
185.13316	8.3
187.11224	1.6
187.14873	5.4
189.11226	11.0
189.12755	1.9
193.10281	2.4
193.12276	2.1
195.11723	5.3
197.13315	5.0
199.14867	5.6
201.12805	1.7
209.11678	3.1
209.13409	3.2
211.14941	2.3
213.12747	1.8
213.16495	1.8
215.14340	1.8
215.17953	1.5
221.13239	2.4
223.14952	1.8
225.12836	1.7
227.12758	22.4
227.14551	1.9
241.19533	5.8
243.20993	1.5
245.13672	1.5
257.19055	3.0
259.20596	13.9
267.16016	2.8
271.20844	1.5
275.20175	3.9
281.19046	1.9
283.15436	12.5
285.22342	1.6
297.22162	12.8
313.21741	3.1
315.23135	12.3
333.24435	7.7
371.25894	2.6
381.62415	1.5
401.82922	2.0
413.28586	1.6
421.31183	3.9
431.29590	5.2
439.32272	3.2
449.30478	11.1
467.31625	12.2
485.32840	9.9
513.35773	5.2
515.33936	1.6
523.33954	10.0
531.36835	3.1
541.35309	100.0
542.35803	2.0
559.36365	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39857	1.7
53.03946	3.5
55.01872	10.2
55.05515	30.4
57.03432	6.5
59.04995	3.4
60.17727	1.6
64.97207	1.8
65.03938	2.8
67.05510	54.2
69.03425	6.1
69.07070	23.5
71.04998	7.0
71.52719	2.1
79.05499	51.7
81.03426	38.1
81.07059	53.2
83.04978	10.4
83.08626	25.2
83.77560	1.8
85.02888	11.0
85.06517	2.4
91.05486	58.6
93.07046	41.7
95.04971	20.2
95.08610	27.2
97.02892	2.1
97.06551	11.7
97.10179	15.0
105.04529	2.0
105.07040	50.8
107.04959	11.4
107.08601	40.8
109.06552	9.7
109.10159	18.0
111.04484	3.5
111.08065	8.7
113.09633	2.5
115.05476	4.8
117.07018	18.5
119.08581	34.0
121.06509	5.7
121.10162	14.3
123.08085	4.6
123.11699	5.8
125.09637	11.4
128.06276	3.7
129.07010	12.3
131.08578	26.3
133.06525	4.8
133.10141	20.3
135.08032	5.6
135.11703	4.9
137.09621	2.4
141.07007	2.7
142.07828	4.8
143.08580	8.9
145.06534	3.3
145.10126	19.3
147.08095	2.3
147.11694	21.7
149.09642	14.3
149.13255	3.2
153.09102	2.2
155.08585	5.1
157.10159	13.3
159.11740	12.9
161.09618	4.2
161.13303	3.8
163.11194	9.6
165.12791	2.7
169.10175	7.8
171.11630	9.6
173.09686	2.9
173.11920	1.7
173.13316	7.0
175.11266	5.1
179.14227	2.5
183.11682	8.2
185.09634	3.2
185.13313	5.0
187.11250	3.8
189.11253	8.4
189.12759	2.8
193.10410	2.5
193.12244	22.4
195.11624	2.0
197.13312	4.7
205.12291	2.0
209.13315	3.5
211.13252	22.3
211.14934	2.4
213.16434	2.4
227.12758	9.2
229.19594	2.3
239.18025	4.5
247.20563	2.7
257.18991	10.0
267.15915	20.5
275.20102	43.0
281.19223	1.9
293.21176	2.1
297.22311	4.5
299.20081	3.7
313.21628	3.6
315.23016	2.6
317.21329	2.4
331.22678	2.9
349.23810	9.7
431.29822	3.1
449.30713	5.2
467.31622	9.3
485.32779	5.3
523.34235	7.1
541.35266	48.0
559.36340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.2
54.97388	4.0
55.01869	5.4
55.05517	27.9
57.03443	11.3
57.07079	4.0
65.03941	5.5
67.05512	95.2
69.07073	30.0
71.05005	5.5
71.08636	9.0
71.52428	5.2
77.81136	3.2
78.28049	3.1
79.05501	93.7
81.03439	10.7
81.07063	75.1
83.04982	13.5
83.08610	17.8
85.06564	6.7
88.51463	3.5
89.22832	3.5
91.05490	86.6
93.07053	100.0
95.04965	21.9
95.08620	62.2
97.06551	6.3
97.10195	7.0
99.04487	3.5
99.08118	8.5
105.04570	4.5
105.07043	53.9
107.04956	5.4
107.08604	47.3
109.06499	5.7
109.10173	24.0
117.07042	14.2
119.08599	37.5
121.06505	4.2
121.10165	27.4
123.08063	6.5
123.11723	6.6
128.06277	3.9
129.07024	15.2
131.08568	16.6
133.00790	3.3
133.10146	24.1
135.11682	20.2
143.08598	13.1
144.89827	3.3
145.10153	15.1
147.11708	34.4
148.19342	3.4
149.13316	10.2
151.14857	3.7
157.10098	4.7
159.11748	7.2
161.13271	8.8
163.11168	6.0
171.11736	19.5
173.13332	5.7
179.14348	19.1
185.13274	5.3
189.12773	7.4
195.11642	3.4
207.12158	3.7
207.13823	20.9
261.22049	5.9
277.21533	16.9
281.17447	37.7
335.25775	60.2
367.35199	3.8
449.34174	3.8
541.39001	87.1
559.23468	3.7
559.35791	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.9
55.01869	3.3
55.05515	23.6
57.03446	9.5
65.03939	2.4
67.05510	77.5
69.07074	16.5
71.01179	3.1
71.04977	3.9
77.03897	1.9
79.05496	81.5
81.03433	9.2
81.07059	70.9
83.04991	10.5
83.05400	1.6
83.08644	9.1
83.09044	1.9
85.06548	3.8
85.55142	1.7
91.05488	62.6
93.07050	82.7
95.04966	16.5
95.08612	54.3
97.06503	4.8
97.10138	3.4
99.08129	1.7
103.05464	1.8
105.04491	2.1
105.07038	46.7
106.00562	1.7
107.04944	5.8
107.08597	27.2
109.06522	8.8
109.10156	18.2
111.08080	2.5
117.07010	11.4
119.08588	30.2
121.06471	4.9
121.10158	14.4
123.08122	4.0
123.11697	4.8
128.06198	5.0
129.07002	15.0
131.08577	13.9
133.10153	16.2
135.11681	11.2
136.91913	1.7
143.08563	10.1
145.10123	13.7
147.08054	2.8
147.11710	38.4
149.13271	7.9
159.11702	6.6
161.09613	5.3
161.13272	14.2
163.14859	3.0
169.10063	2.4
171.11707	28.7
173.13208	4.6
177.12762	1.7
189.12717	9.3
207.13803	24.4
243.21022	2.4
261.22247	8.0
279.15970	4.3
281.17508	46.8
310.22006	2.0
335.25806	61.9
449.34265	3.4
467.34979	3.1
485.35999	2.5
541.38953	100.0
559.39825	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	559.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44823	1.6
53.03947	3.9
55.01875	3.6
55.05517	19.9
57.03444	4.1
57.07081	4.4
65.03930	2.3
67.05513	34.6
69.07078	13.7
70.06568	2.2
71.05006	2.0
71.08630	2.5
71.53042	1.8
79.05499	28.3
79.05920	2.6
81.07064	32.9
83.04990	4.0
83.08620	8.7
91.05502	23.9
93.07050	31.4
95.04994	3.4
95.08611	27.3
97.06536	4.5
97.10176	5.3
105.07042	20.5
107.04956	3.5
107.08600	14.0
109.06513	2.7
109.10175	11.2
111.08109	3.1
115.05517	2.0
117.07032	13.9
119.08595	16.4
121.06502	2.4
121.10153	10.1
123.08100	3.2
123.11723	4.6
125.09651	2.7
127.67208	1.8
127.91660	1.4
128.06300	2.2
129.06998	12.6
131.08563	25.7
133.10141	11.0
135.08139	2.5
135.11740	6.1
141.07010	3.9
143.08575	16.5
145.10139	19.6
147.11682	9.6
149.09616	2.1
149.13255	4.8
155.08603	12.2
157.10147	13.1
159.11736	11.3
161.13274	4.9
163.11261	1.7
163.14902	2.6
167.08578	3.6
169.10121	10.8
171.11685	12.0
173.09705	1.8
173.13316	3.9
175.14836	3.2
181.10191	7.1
183.11748	9.3
185.13310	5.4
187.11261	1.9
187.14893	3.2
189.12903	2.4
193.10138	1.6
195.11723	4.9
197.13333	4.8
199.14838	5.2
201.16429	2.8
207.11981	2.1
207.13828	6.7
209.13312	3.5
211.14876	6.1
213.16415	3.3
215.18094	2.8
221.13269	2.1
223.14944	2.0
225.16438	4.6
227.18086	2.6
237.16492	2.9
237.67236	1.6
239.17958	2.2
243.21205	4.2
256.26535	3.0
257.26794	2.6
261.22214	5.6
273.18625	2.4
279.15952	4.7
281.17398	11.0
311.23965	2.1
317.24899	2.0
325.25040	2.1
335.25925	7.2
337.25580	2.7
355.26328	1.9
399.16254	2.8
400.16870	4.2
401.17587	2.3
413.17621	2.5
414.18497	4.3
415.19327	7.6
427.19974	1.8
428.20328	3.4
429.20929	7.0
430.21597	2.8
431.33255	6.9
437.34265	4.5
442.17242	2.0
443.17969	2.6
443.22940	3.4
444.18942	2.4
449.34351	14.4
457.20328	3.6
458.21280	4.2
467.35220	8.9
471.21869	7.1
472.22897	3.8
485.19946	1.7
485.36722	7.5
486.20667	3.8
499.21371	5.4
500.22070	2.5
511.38043	3.8
523.37805	8.8
529.38745	11.1
531.24005	4.7
531.40656	1.9
541.38983	72.5
559.23486	100.0
559.39618	37.4
560.23645	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	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	2.1
51.08661	1.5
53.03946	9.0
55.01860	2.6
55.05516	23.9
57.03448	10.8
57.07065	6.5
64.18846	1.4
65.03934	5.6
66.92181	1.5
67.05505	81.1
69.07072	19.7
69.24085	8.5
69.24511	5.8
71.04996	2.7
71.08636	2.4
73.06524	2.0
79.05493	81.1
81.03426	10.4
81.07055	71.7
81.07535	3.5
83.04985	12.1
83.08622	13.4
85.02922	1.7
85.06567	3.4
89.06020	2.2
91.05486	61.7
93.07044	88.8
95.04974	14.1
95.08607	51.2
95.71432	1.8
97.06528	6.5
97.10152	5.1
98.21487	2.7
105.04528	3.7
105.07028	43.2
107.04952	5.4
107.08591	31.8
107.09309	2.1
109.06499	6.3
109.10156	17.7
111.08070	2.4
117.07017	11.9
119.08593	27.0
121.06469	3.3
121.10139	17.5
123.08084	5.3
123.11707	5.1
128.06265	2.0
129.06996	17.3
131.08594	9.2
133.10133	13.9
133.33034	1.6
135.11671	12.5
143.08566	6.8
145.10143	15.1
147.08038	2.2
147.11682	33.1
149.13268	5.0
157.10170	2.3
159.11726	6.6
161.09604	3.7
161.13257	10.7
163.14828	2.6
171.11685	21.1
173.13289	5.2
176.17880	1.6
187.14783	2.7
189.12715	10.1
206.92691	1.5
207.13806	25.0
211.13080	1.9
212.13713	1.7
243.21152	2.7
261.22195	9.0
279.15860	2.2
281.17477	39.2
285.17139	1.8
314.27710	4.0
317.24619	1.8
335.25769	75.9
336.25931	1.8
449.34326	3.0
462.42841	1.8
524.40265	3.8
533.86896	1.9
541.38922	100.0
542.38647	2.5
559.37616	8.8
559.53864	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	560.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
57.40282	0.2
60.76148	0.2
61.35285	0.2
65.03939	0.5
65.50960	0.2
69.03418	0.7
69.36382	1.8
70.99567	0.4
71.04994	0.5
79.05493	0.4
80.05045	0.2
81.03422	1.4
81.07085	0.3
85.01146	1.0
85.02910	0.6
89.49467	0.2
91.05491	2.9
93.07040	0.9
97.02898	11.4
99.04465	0.7
103.05453	0.4
109.02892	1.3
112.02206	1.6
119.04953	4.5
121.06516	2.2
122.62753	0.2
127.03934	3.0
131.04950	0.3
131.27362	0.2
137.05965	0.4
139.00807	0.3
140.01675	1.8
144.04773	0.3
144.10616	0.2
147.04419	4.6
149.05989	2.0
152.01611	0.4
158.02740	0.7
165.05492	2.1
169.09702	0.3
170.02710	7.6
175.03941	0.6
180.90172	0.2
188.03777	100.0
189.04114	0.4
193.04877	1.3
210.05997	0.3
230.04700	0.6
236.12659	0.3
296.05841	0.7
314.06937	38.9
315.07278	0.2
332.08038	6.1
337.08890	0.3
343.09784	0.3
350.09106	1.1
524.12390	0.4
542.13257	0.5
560.14374	0.9
560.22461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01857	1.5
55.05512	12.2
55.24883	0.8
57.03432	1.4
57.07064	2.0
61.02949	0.8
62.43406	0.8
65.03943	1.6
67.05508	22.6
69.03443	1.5
69.07072	12.3
69.75803	3.5
71.04979	2.1
71.08638	1.0
77.74466	0.7
79.05495	48.3
81.03409	3.5
81.06591	1.6
81.07058	25.7
83.04978	1.9
83.08613	6.5
85.02895	4.7
85.06547	1.1
87.00802	1.5
87.04442	0.9
88.06224	0.8
91.05482	20.7
93.07047	60.3
93.51916	0.8
95.04955	3.5
95.08607	18.8
97.02875	2.5
97.06524	1.8
97.10162	3.7
99.04469	1.3
104.51052	0.8
105.01861	3.4
105.04510	2.0
105.07034	12.9
107.04974	1.2
107.08595	30.7
109.02863	1.4
109.06532	2.0
109.10168	9.2
111.08071	1.3
117.07021	5.3
119.08596	10.1
121.06491	1.1
121.10147	30.0
123.08065	1.8
123.11696	2.8
125.09631	1.5
126.21571	1.1
127.03905	3.2
129.07018	2.1
131.08580	4.5
133.10126	13.5
135.08064	1.8
135.11702	31.8
139.11186	1.1
142.07845	0.8
143.08571	1.6
145.04942	2.4
145.06000	1.1
145.10144	3.0
147.11647	6.0
149.09607	1.2
149.13271	17.9
151.07661	1.1
157.10088	1.7
158.96976	0.9
159.11694	7.6
161.09660	1.1
161.13243	2.8
163.11246	1.2
163.14854	4.7
171.11690	2.6
173.13297	4.4
175.11009	1.2
175.14827	2.4
181.12196	1.5
185.13268	3.1
189.12685	1.1
189.16219	0.9
189.85413	1.1
193.12248	1.6
193.15855	1.8
195.13879	1.8
199.14874	1.6
207.13918	1.6
213.16335	1.6
221.15373	2.6
231.04869	1.0
231.17468	1.3
235.16986	3.2
241.19437	2.6
259.20569	5.8
263.00064	0.9
276.20422	1.4
277.21631	100.0
278.21817	0.9
542.35394	2.2
560.36224	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01853	6.3
55.05516	15.0
57.03440	11.0
59.04977	2.7
67.05181	1.9
67.05505	19.1
69.03421	2.5
69.07057	6.9
69.55238	4.7
69.55642	2.8
71.04985	3.0
77.11786	1.3
79.05494	22.4
81.03423	54.5
81.07057	21.8
82.07376	1.5
83.01332	4.3
83.04960	8.2
83.08625	19.0
85.02919	2.9
91.04971	2.0
91.05482	17.5
91.53501	1.3
93.07041	19.2
93.53122	1.2
95.04965	18.4
95.08617	8.4
97.02882	2.6
97.06533	5.2
97.10169	5.5
98.20644	1.3
99.04483	1.3
103.05492	1.5
105.07036	15.9
107.04950	11.3
107.08593	14.8
109.06541	4.8
109.10159	4.1
111.04441	3.0
111.08076	6.6
114.95782	1.3
115.05492	1.4
117.07014	7.0
119.08586	12.0
121.06480	4.8
121.10135	9.5
123.08075	5.7
125.09631	4.6
129.06979	10.0
131.04994	1.9
131.08569	8.8
133.06493	2.6
133.10156	6.2
135.08075	2.0
135.11700	6.0
141.06912	1.4
143.08571	2.1
145.06442	1.8
145.10100	9.9
147.08052	2.6
147.11697	6.0
149.09622	4.4
153.12756	2.7
155.08459	2.0
157.10126	5.9
159.11719	2.0
161.06024	2.2
161.09532	1.6
163.11192	12.5
165.74986	1.3
167.08549	1.2
171.08015	1.7
171.11678	2.2
173.09605	2.9
175.11195	6.4
175.14767	1.6
179.45763	1.5
187.11160	1.5
189.11156	2.2
193.12256	13.4
197.13251	1.4
209.11630	2.1
211.13338	3.7
227.12805	4.0
240.96324	1.5
267.15945	46.8
268.16318	1.7
275.19971	1.4
276.20627	2.3
283.15421	31.1
289.14407	2.1
363.02853	1.4
365.21265	2.1
381.23965	1.3
383.22150	19.5
384.40024	1.4
401.23178	9.4
419.23752	1.4
426.11496	1.5
439.24744	4.0
450.31262	1.7
457.25775	28.7
475.26935	100.0
493.28094	8.3
515.12256	1.4
542.35309	5.5
560.36853	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	560.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49111	6.6
67.05512	45.9
67.62997	7.0
69.07079	11.0
69.26414	10.6
69.26816	54.8
72.77401	7.0
73.13639	7.1
77.51693	6.4
79.05482	30.4
81.07062	50.4
83.08619	10.9
83.40919	6.5
85.61713	6.8
91.05477	18.1
93.07063	38.4
95.08593	39.5
97.10114	7.5
105.07036	18.7
107.08597	25.1
109.06563	7.0
109.10148	30.0
119.08581	17.6
121.10122	32.8
123.11726	12.4
131.08557	16.3
133.10153	12.2
135.02809	6.8
135.11642	19.3
137.13277	10.1
145.10124	13.0
147.11684	10.1
149.13193	18.2
157.31941	6.4
157.88959	6.4
159.11752	10.6
163.14783	9.9
173.13326	16.4
185.13199	9.6
233.22646	7.7
243.21089	30.2
261.22141	100.0
318.91589	7.2
335.25879	38.5
353.26950	47.0
560.36639	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	560.38
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39108	5.5
53.41581	7.5
54.30692	5.8
55.05505	26.5
62.32814	6.4
67.05511	44.6
69.07072	12.7
70.30070	14.6
70.53020	6.7
79.05503	29.8
79.59050	6.0
81.07080	45.2
83.08589	10.9
85.02869	6.3
89.40899	6.0
91.05474	19.3
93.07055	50.5
95.08615	40.3
97.06551	9.1
97.10173	9.1
100.61300	5.9
105.07046	16.4
107.08614	32.6
109.10150	29.9
117.06997	13.0
119.08600	15.3
121.10126	22.3
123.11664	13.8
131.08559	12.8
133.10104	10.4
133.35545	7.3
135.11674	15.6
137.13316	10.9
141.37491	6.1
145.10110	10.2
147.11671	14.3
149.13271	17.1
157.65511	7.0
159.11687	15.4
161.13249	11.0
163.14767	8.5
173.13293	16.9
173.78473	6.3
187.14870	7.8
243.20978	34.2
254.84990	6.7
261.22141	100.0
292.19806	10.1
335.25690	14.3
353.27017	41.3
542.35590	10.9
560.23859	7.3
560.37024	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99865	1.4
55.05516	8.2
57.03432	3.9
57.07076	28.5
67.05509	51.2
69.07066	8.1
71.05000	17.7
71.08639	18.9
71.50083	1.9
75.04462	3.5
79.05492	6.5
81.03413	2.7
81.07063	21.0
83.08619	9.3
85.09778	1.5
85.10195	14.4
87.04466	2.2
91.05482	8.0
93.07053	7.9
95.08606	20.9
97.06533	3.6
97.10167	5.4
99.04450	6.1
105.07024	2.0
107.08586	6.2
109.10163	54.3
109.10925	2.6
111.08087	3.2
117.05545	1.9
119.08575	7.7
121.10130	3.4
123.11710	3.8
127.03886	4.8
129.82553	1.4
135.11739	7.9
137.09630	7.3
145.10095	2.8
150.13905	1.6
165.98383	2.1
173.11763	7.6
180.45523	1.4
181.12170	2.4
187.06070	1.9
239.23668	3.6
243.15967	2.1
253.83249	1.7
255.15933	2.1
287.18524	19.5
313.27368	24.0
467.37344	100.0
481.39520	3.0
493.39001	4.5
525.41541	42.4
539.97021	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	561.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37928	0.5
55.01862	0.6
56.96325	0.7
56.96565	4.8
57.03421	1.6
61.02926	1.6
69.03436	4.7
69.53471	2.3
69.53881	1.1
70.98148	0.7
71.04980	1.8
72.08156	0.5
73.02889	1.8
77.00912	0.6
79.05502	2.6
81.03416	2.4
81.07069	1.4
82.99896	1.1
84.04497	0.8
84.96060	1.3
85.02909	13.5
86.03232	0.7
86.99369	0.5
87.04456	1.0
87.49905	0.5
89.03914	1.0
91.03950	1.2
91.05479	2.1
93.07064	0.6
95.04964	1.0
97.02899	5.0
98.03294	0.6
98.21476	1.1
98.96947	1.0
98.97583	15.1
98.98214	1.0
99.04438	1.2
101.00888	6.4
103.00599	1.0
103.05469	0.8
105.07021	2.2
107.04960	0.8
109.02885	1.6
109.06489	1.2
110.97562	3.7
112.99136	1.4
113.00853	1.7
115.02438	0.6
116.98615	4.7
119.01917	11.3
119.04954	3.9
121.01609	0.9
121.06551	1.5
127.02439	1.5
127.03920	4.3
128.98611	3.3
131.00203	1.4
131.01897	4.3
133.01645	0.7
133.03484	1.9
134.99638	1.5
135.04413	1.3
137.03001	0.7
137.05988	7.5
143.00223	2.8
143.01892	11.3
144.98079	1.1
145.01686	1.3
145.03606	4.7
145.04868	3.1
146.99677	1.8
147.01369	1.4
147.04391	6.4
149.05984	1.1
153.03960	1.8
155.01869	3.3
155.05482	1.1
156.97974	0.6
157.01707	1.1
157.03459	2.1
158.99658	5.2
159.03232	0.6
159.05049	0.8
161.01230	1.7
161.02974	12.4
161.04347	1.3
162.99225	0.7
163.02611	1.1
163.03915	8.4
163.05974	5.2
164.04228	1.4
164.07083	2.9
165.04243	0.8
165.05495	3.2
167.07062	1.3
169.03421	1.0
170.99670	2.9
171.01286	1.2
171.05025	3.6
173.01268	1.6
173.02974	2.9
173.06622	0.9
174.99220	0.7
175.03973	2.1
177.00739	3.4
177.03996	1.2
179.04062	0.6
179.05530	1.9
179.06964	0.7
181.03467	4.4
181.07124	4.8
182.99689	1.9
183.05075	1.2
185.01385	0.9
185.02969	2.8
185.04491	1.0
186.99139	0.7
187.02724	1.1
187.04489	1.1
189.00731	2.3
189.02406	1.4
189.03932	3.4
191.02231	1.2
191.03844	0.6
193.00230	2.0
193.03285	1.2
193.04967	16.3
195.03375	1.1
195.05045	3.9
197.01166	0.7
197.02925	1.2
197.04926	0.7
197.06621	3.0
199.02771	1.0
199.04501	4.7
199.08170	2.2
201.00728	3.4
203.02229	0.9
203.03981	5.8
203.05661	0.7
205.00209	1.3
205.03484	4.2
205.07018	0.8
207.01743	0.8
207.03226	0.8
207.05048	12.8
209.06650	1.0
211.02757	1.1
211.06149	0.8
211.08168	0.8
215.02237	1.0
215.04048	1.4
215.05884	1.2
217.00217	0.9
217.05568	0.6
219.01756	6.6
219.05147	1.6
221.03125	0.7
221.04971	10.8
221.06647	1.2
223.01122	1.3
223.02928	0.4
223.04559	7.0
223.08089	1.7
225.06087	7.2
227.05853	0.7
229.03712	1.0
231.03171	3.5
231.05194	2.3
233.03018	3.6
233.06686	1.5
235.04504	2.3
235.08160	0.6
237.02750	5.5
237.06117	2.3
241.03625	0.9
241.05663	1.9
243.01808	1.0
243.07159	2.9
245.04930	2.9
247.01266	1.7
247.04549	5.7
249.06163	2.4
251.04077	10.3
253.05582	1.5
254.09134	0.6
255.03458	0.7
257.02844	1.3
257.05093	1.8
259.04492	1.4
261.02823	2.4
265.02802	1.0
265.05609	4.5
267.07306	3.0
269.05106	3.7
275.03796	4.7
276.06732	1.3
277.05701	1.4
279.04062	1.6
285.02890	2.3
285.08167	1.7
287.06061	1.3
291.03238	0.7
291.06442	0.8
293.05035	29.9
295.04813	2.4
297.08350	1.2
303.03851	3.5
303.07239	1.6
307.06653	1.1
309.08432	1.0
311.06119	100.0
312.06427	2.0
313.05914	7.8
321.04855	1.3
321.08243	0.9
325.07697	12.6
327.03787	3.5
329.07214	13.3
331.07123	1.5
333.06644	4.0
333.10181	0.6
334.07675	2.7
337.04254	1.2
337.07758	1.7
341.07245	0.8
343.08627	2.3
345.04916	1.5
351.09244	4.9
353.07172	62.3
354.07468	1.8
355.06927	5.8
357.09860	0.9
365.03848	1.4
366.10382	2.3
367.05579	0.8
369.10278	7.3
371.08102	6.9
373.07962	2.9
377.11334	0.8
381.06964	4.2
387.11539	1.1
394.09906	2.1
395.08292	3.7
395.12708	0.8
399.07449	1.1
413.09283	28.3
415.09262	1.9
429.06940	1.9
431.10382	18.4
433.10367	0.7
441.09039	0.9
447.08124	1.5
454.11703	1.0
525.24030	0.6
543.11969	3.3
561.13312	9.1
561.22845	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	561.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37928	0.5
55.01862	0.6
56.96325	0.7
56.96565	4.8
57.03421	1.6
61.02926	1.6
69.03436	4.7
69.53471	2.3
69.53881	1.1
70.98148	0.7
71.04980	1.8
72.08156	0.5
73.02889	1.8
77.00912	0.6
79.05502	2.6
81.03416	2.4
81.07069	1.4
82.99896	1.1
84.04497	0.8
84.96060	1.3
85.02909	13.5
86.03232	0.7
86.99369	0.5
87.04456	1.0
87.49905	0.5
89.03914	1.0
91.03950	1.2
91.05479	2.1
93.07064	0.6
95.04964	1.0
97.02899	5.0
98.03294	0.6
98.21476	1.1
98.96947	1.0
98.97583	15.1
98.98214	1.0
99.04438	1.2
101.00888	6.4
103.00599	1.0
103.05469	0.8
105.07021	2.2
107.04960	0.8
109.02885	1.6
109.06489	1.2
110.97562	3.7
112.99136	1.4
113.00853	1.7
115.02438	0.6
116.98615	4.7
119.01917	11.3
119.04954	3.9
121.01609	0.9
121.06551	1.5
127.02439	1.5
127.03920	4.3
128.98611	3.3
131.00203	1.4
131.01897	4.3
133.01645	0.7
133.03484	1.9
134.99638	1.5
135.04413	1.3
137.03001	0.7
137.05988	7.5
143.00223	2.8
143.01892	11.3
144.98079	1.1
145.01686	1.3
145.03606	4.7
145.04868	3.1
146.99677	1.8
147.01369	1.4
147.04391	6.4
149.05984	1.1
153.03960	1.8
155.01869	3.3
155.05482	1.1
156.97974	0.6
157.01707	1.1
157.03459	2.1
158.99658	5.2
159.03232	0.6
159.05049	0.8
161.01230	1.7
161.02974	12.4
161.04347	1.3
162.99225	0.7
163.02611	1.1
163.03915	8.4
163.05974	5.2
164.04228	1.4
164.07083	2.9
165.04243	0.8
165.05495	3.2
167.07062	1.3
169.03421	1.0
170.99670	2.9
171.01286	1.2
171.05025	3.6
173.01268	1.6
173.02974	2.9
173.06622	0.9
174.99220	0.7
175.03973	2.1
177.00739	3.4
177.03996	1.2
179.04062	0.6
179.05530	1.9
179.06964	0.7
181.03467	4.4
181.07124	4.8
182.99689	1.9
183.05075	1.2
185.01385	0.9
185.02969	2.8
185.04491	1.0
186.99139	0.7
187.02724	1.1
187.04489	1.1
189.00731	2.3
189.02406	1.4
189.03932	3.4
191.02231	1.2
191.03844	0.6
193.00230	2.0
193.03285	1.2
193.04967	16.3
195.03375	1.1
195.05045	3.9
197.01166	0.7
197.02925	1.2
197.04926	0.7
197.06621	3.0
199.02771	1.0
199.04501	4.7
199.08170	2.2
201.00728	3.4
203.02229	0.9
203.03981	5.8
203.05661	0.7
205.00209	1.3
205.03484	4.2
205.07018	0.8
207.01743	0.8
207.03226	0.8
207.05048	12.8
209.06650	1.0
211.02757	1.1
211.06149	0.8
211.08168	0.8
215.02237	1.0
215.04048	1.4
215.05884	1.2
217.00217	0.9
217.05568	0.6
219.01756	6.6
219.05147	1.6
221.03125	0.7
221.04971	10.8
221.06647	1.2
223.01122	1.3
223.02928	0.4
223.04559	7.0
223.08089	1.7
225.06087	7.2
227.05853	0.7
229.03712	1.0
231.03171	3.5
231.05194	2.3
233.03018	3.6
233.06686	1.5
235.04504	2.3
235.08160	0.6
237.02750	5.5
237.06117	2.3
241.03625	0.9
241.05663	1.9
243.01808	1.0
243.07159	2.9
245.04930	2.9
247.01266	1.7
247.04549	5.7
249.06163	2.4
251.04077	10.3
253.05582	1.5
254.09134	0.6
255.03458	0.7
257.02844	1.3
257.05093	1.8
259.04492	1.4
261.02823	2.4
265.02802	1.0
265.05609	4.5
267.07306	3.0
269.05106	3.7
275.03796	4.7
276.06732	1.3
277.05701	1.4
279.04062	1.6
285.02890	2.3
285.08167	1.7
287.06061	1.3
291.03238	0.7
291.06442	0.8
293.05035	29.9
295.04813	2.4
297.08350	1.2
303.03851	3.5
303.07239	1.6
307.06653	1.1
309.08432	1.0
311.06119	100.0
312.06427	2.0
313.05914	7.8
321.04855	1.3
321.08243	0.9
325.07697	12.6
327.03787	3.5
329.07214	13.3
331.07123	1.5
333.06644	4.0
333.10181	0.6
334.07675	2.7
337.04254	1.2
337.07758	1.7
341.07245	0.8
343.08627	2.3
345.04916	1.5
351.09244	4.9
353.07172	62.3
354.07468	1.8
355.06927	5.8
357.09860	0.9
365.03848	1.4
366.10382	2.3
367.05579	0.8
369.10278	7.3
371.08102	6.9
373.07962	2.9
377.11334	0.8
381.06964	4.2
387.11539	1.1
394.09906	2.1
395.08292	3.7
395.12708	0.8
399.07449	1.1
413.09283	28.3
415.09262	1.9
429.06940	1.9
431.10382	18.4
433.10367	0.7
441.09039	0.9
447.08124	1.5
454.11703	1.0
525.24030	0.6
543.11969	3.3
561.13312	9.1
561.22845	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	561.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37928	0.5
55.01862	0.6
56.96325	0.7
56.96565	4.8
57.03421	1.6
61.02926	1.6
69.03436	4.7
69.53471	2.3
69.53881	1.1
70.98148	0.7
71.04980	1.8
72.08156	0.5
73.02889	1.8
77.00912	0.6
79.05502	2.6
81.03416	2.4
81.07069	1.4
82.99896	1.1
84.04497	0.8
84.96060	1.3
85.02909	13.5
86.03232	0.7
86.99369	0.5
87.04456	1.0
87.49905	0.5
89.03914	1.0
91.03950	1.2
91.05479	2.1
93.07064	0.6
95.04964	1.0
97.02899	5.0
98.03294	0.6
98.21476	1.1
98.96947	1.0
98.97583	15.1
98.98214	1.0
99.04438	1.2
101.00888	6.4
103.00599	1.0
103.05469	0.8
105.07021	2.2
107.04960	0.8
109.02885	1.6
109.06489	1.2
110.97562	3.7
112.99136	1.4
113.00853	1.7
115.02438	0.6
116.98615	4.7
119.01917	11.3
119.04954	3.9
121.01609	0.9
121.06551	1.5
127.02439	1.5
127.03920	4.3
128.98611	3.3
131.00203	1.4
131.01897	4.3
133.01645	0.7
133.03484	1.9
134.99638	1.5
135.04413	1.3
137.03001	0.7
137.05988	7.5
143.00223	2.8
143.01892	11.3
144.98079	1.1
145.01686	1.3
145.03606	4.7
145.04868	3.1
146.99677	1.8
147.01369	1.4
147.04391	6.4
149.05984	1.1
153.03960	1.8
155.01869	3.3
155.05482	1.1
156.97974	0.6
157.01707	1.1
157.03459	2.1
158.99658	5.2
159.03232	0.6
159.05049	0.8
161.01230	1.7
161.02974	12.4
161.04347	1.3
162.99225	0.7
163.02611	1.1
163.03915	8.4
163.05974	5.2
164.04228	1.4
164.07083	2.9
165.04243	0.8
165.05495	3.2
167.07062	1.3
169.03421	1.0
170.99670	2.9
171.01286	1.2
171.05025	3.6
173.01268	1.6
173.02974	2.9
173.06622	0.9
174.99220	0.7
175.03973	2.1
177.00739	3.4
177.03996	1.2
179.04062	0.6
179.05530	1.9
179.06964	0.7
181.03467	4.4
181.07124	4.8
182.99689	1.9
183.05075	1.2
185.01385	0.9
185.02969	2.8
185.04491	1.0
186.99139	0.7
187.02724	1.1
187.04489	1.1
189.00731	2.3
189.02406	1.4
189.03932	3.4
191.02231	1.2
191.03844	0.6
193.00230	2.0
193.03285	1.2
193.04967	16.3
195.03375	1.1
195.05045	3.9
197.01166	0.7
197.02925	1.2
197.04926	0.7
197.06621	3.0
199.02771	1.0
199.04501	4.7
199.08170	2.2
201.00728	3.4
203.02229	0.9
203.03981	5.8
203.05661	0.7
205.00209	1.3
205.03484	4.2
205.07018	0.8
207.01743	0.8
207.03226	0.8
207.05048	12.8
209.06650	1.0
211.02757	1.1
211.06149	0.8
211.08168	0.8
215.02237	1.0
215.04048	1.4
215.05884	1.2
217.00217	0.9
217.05568	0.6
219.01756	6.6
219.05147	1.6
221.03125	0.7
221.04971	10.8
221.06647	1.2
223.01122	1.3
223.02928	0.4
223.04559	7.0
223.08089	1.7
225.06087	7.2
227.05853	0.7
229.03712	1.0
231.03171	3.5
231.05194	2.3
233.03018	3.6
233.06686	1.5
235.04504	2.3
235.08160	0.6
237.02750	5.5
237.06117	2.3
241.03625	0.9
241.05663	1.9
243.01808	1.0
243.07159	2.9
245.04930	2.9
247.01266	1.7
247.04549	5.7
249.06163	2.4
251.04077	10.3
253.05582	1.5
254.09134	0.6
255.03458	0.7
257.02844	1.3
257.05093	1.8
259.04492	1.4
261.02823	2.4
265.02802	1.0
265.05609	4.5
267.07306	3.0
269.05106	3.7
275.03796	4.7
276.06732	1.3
277.05701	1.4
279.04062	1.6
285.02890	2.3
285.08167	1.7
287.06061	1.3
291.03238	0.7
291.06442	0.8
293.05035	29.9
295.04813	2.4
297.08350	1.2
303.03851	3.5
303.07239	1.6
307.06653	1.1
309.08432	1.0
311.06119	100.0
312.06427	2.0
313.05914	7.8
321.04855	1.3
321.08243	0.9
325.07697	12.6
327.03787	3.5
329.07214	13.3
331.07123	1.5
333.06644	4.0
333.10181	0.6
334.07675	2.7
337.04254	1.2
337.07758	1.7
341.07245	0.8
343.08627	2.3
345.04916	1.5
351.09244	4.9
353.07172	62.3
354.07468	1.8
355.06927	5.8
357.09860	0.9
365.03848	1.4
366.10382	2.3
367.05579	0.8
369.10278	7.3
371.08102	6.9
373.07962	2.9
377.11334	0.8
381.06964	4.2
387.11539	1.1
394.09906	2.1
395.08292	3.7
395.12708	0.8
399.07449	1.1
413.09283	28.3
415.09262	1.9
429.06940	1.9
431.10382	18.4
433.10367	0.7
441.09039	0.9
447.08124	1.5
454.11703	1.0
525.24030	0.6
543.11969	3.3
561.13312	9.1
561.22845	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	561.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
54.18683	2.1
55.05516	18.6
57.07080	15.1
67.05499	7.2
69.03416	10.2
69.07072	100.0
70.08170	9.9
79.05499	4.6
81.03423	22.2
81.07069	15.6
83.08627	33.6
83.87863	2.0
85.02900	10.0
91.05493	10.5
93.07053	11.8
95.08633	14.5
97.02872	4.5
97.06527	15.5
98.21448	2.8
99.04464	6.8
105.07030	3.4
107.08583	13.7
109.02882	35.6
109.10107	11.2
111.04437	2.6
111.08097	4.4
114.20424	2.1
119.04939	18.4
125.13270	11.8
125.44630	2.3
127.03923	36.5
135.11716	15.2
137.05991	7.6
145.04994	3.2
147.04404	15.8
149.05995	3.7
153.12756	57.5
158.57875	2.2
163.03944	7.5
165.05487	10.2
167.08549	2.8
171.13820	44.0
183.06519	6.1
190.02550	3.0
191.03474	2.4
193.04930	9.6
209.04483	6.3
211.06056	18.1
213.14859	5.2
229.07146	9.5
251.16406	10.2
279.15912	20.3
297.16968	31.4
298.74829	2.3
309.87189	2.4
315.18036	21.3
333.19022	9.9
347.15051	2.3
363.18030	11.0
399.10818	14.3
489.21457	2.2
507.21951	3.9
525.23022	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	561.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
53.70506	1.4
55.05508	6.2
57.07088	1.7
57.54544	1.2
57.78389	1.4
58.88637	1.3
67.05511	14.0
69.07071	11.0
69.31799	12.2
73.88702	1.5
79.05495	9.1
81.06591	2.0
81.07061	29.1
83.08620	4.4
85.02929	2.6
85.06561	1.6
91.05485	8.1
93.07048	13.7
94.04192	2.5
95.04936	2.1
95.08615	39.7
97.10184	3.0
103.05476	4.5
105.07035	22.7
106.07348	1.7
107.04988	1.8
107.08595	14.7
108.05738	2.7
109.06545	3.4
109.10162	27.5
111.11731	2.3
115.05424	1.8
117.07044	2.3
119.08605	8.8
121.06481	2.1
121.10149	12.4
122.03630	3.7
123.04443	4.1
123.11703	9.3
128.06224	3.1
129.07008	5.3
131.04922	10.3
131.08562	2.8
133.10146	8.3
135.04422	11.7
135.11702	5.2
136.05191	2.7
137.05994	100.0
137.13269	7.3
141.07030	1.6
143.08580	5.1
145.06551	7.6
145.10095	2.7
147.04398	2.0
147.08049	2.5
147.11717	11.8
148.12062	2.6
149.05957	3.0
149.13263	6.0
151.07552	62.7
151.14842	4.6
152.07884	1.6
153.09338	1.3
157.06563	7.4
157.10211	2.0
158.07346	1.7
159.08037	3.1
159.11792	1.5
161.05997	5.2
161.09569	1.7
161.13226	3.6
163.03961	3.7
163.07558	15.7
163.14810	1.7
165.05525	2.3
165.09151	5.3
169.10149	1.6
171.08051	7.6
173.05992	3.6
173.09624	2.3
174.06818	2.6
175.07574	16.8
176.08330	2.1
177.09117	6.5
177.16376	7.5
179.70833	1.4
181.10156	2.7
183.08121	4.7
185.09612	1.8
187.07555	6.8
187.11253	2.2
188.08292	2.3
189.09111	25.5
189.16405	7.1
190.16632	2.2
191.07080	1.9
191.10643	7.1
195.08011	3.0
197.09550	1.8
199.07643	1.8
199.11153	1.7
201.09109	15.3
203.07141	1.6
203.10710	12.3
203.18008	13.6
209.09671	5.2
211.11115	4.0
212.08270	2.4
213.09094	3.1
215.10719	10.2
217.12271	4.3
223.11143	2.2
223.82031	1.5
225.09123	3.5
225.12753	4.2
227.10710	4.4
229.12224	6.7
231.13795	2.6
233.07973	2.8
233.88589	1.6
241.12277	8.8
243.13846	6.1
247.09724	3.8
253.12154	2.1
255.13783	8.2
257.15326	4.5
267.17422	2.3
269.15359	4.4
277.21518	1.6
283.16940	4.1
285.18613	1.9
293.11719	2.5
295.16956	3.0
301.45554	1.3
303.10251	2.1
307.20905	1.7
313.17957	8.6
321.11227	1.8
335.12830	3.9
339.23218	15.6
341.14340	1.6
353.13956	13.1
359.12537	1.6
366.48056	1.7
371.15002	10.5
373.14374	1.8
381.16959	1.6
385.16547	8.0
397.16534	3.1
399.10779	2.3
399.18124	3.9
407.18457	1.7
409.16367	5.1
411.18176	9.8
419.18372	1.8
423.17874	6.7
425.19516	5.7
437.19641	7.2
439.21182	2.1
449.19333	2.9
451.20908	7.2
463.21094	3.9
465.22546	7.6
477.22794	2.2
479.24380	7.5
491.24136	3.3
505.25653	9.4
529.29834	3.2
543.30554	3.2
561.32135	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	561.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67039	0.4
53.03936	1.2
55.01854	0.5
55.05499	2.8
55.82329	0.4
57.03421	0.6
57.07063	1.0
59.90168	0.4
65.03944	1.0
67.05502	4.0
69.03432	14.5
69.07065	7.2
70.06606	0.8
71.04975	1.2
71.52397	0.7
72.96526	0.4
77.03938	0.6
79.05494	5.6
81.03439	0.8
81.07050	5.4
83.04988	2.6
83.08608	2.7
84.08132	0.7
85.02909	3.5
85.06508	1.2
91.05479	13.4
91.63734	0.5
93.07043	6.5
95.04956	1.3
95.08609	5.7
97.02914	0.9
97.06517	1.0
99.04506	0.5
103.05469	1.0
105.07034	18.1
106.09855	0.5
107.04972	0.7
107.08597	16.7
109.02859	0.6
109.06495	2.7
109.10166	2.7
111.08066	1.4
115.05431	1.5
116.06241	1.2
117.07023	5.6
119.08585	21.2
121.06490	1.9
121.10155	15.6
123.08054	2.7
123.11713	1.9
125.09657	2.3
126.18799	0.4
127.03932	1.0
128.06262	1.2
129.06998	5.5
130.07777	1.7
131.04990	0.6
131.08574	24.9
133.07538	0.6
133.10138	16.1
135.08057	10.0
135.11693	3.9
137.06007	0.5
137.09615	0.7
143.08553	13.0
144.09346	4.5
145.05020	0.5
145.10120	14.4
147.08055	0.8
147.11691	7.8
149.09605	5.3
149.13261	9.1
151.11261	0.7
153.09142	0.7
156.09451	0.8
157.10094	0.5
158.10910	13.6
161.09692	0.8
163.07532	0.7
163.11230	1.1
163.14821	2.5
164.07036	1.5
167.06967	0.6
167.14299	1.0
171.11702	1.1
173.13272	44.3
175.14842	12.8
191.14313	100.0
209.11732	1.1
209.15390	5.6
221.62968	0.4
238.25182	0.5
289.15237	0.8
335.18710	0.9
353.19614	1.6
357.01678	0.5
371.20795	0.6
456.12070	0.5
543.85657	0.5
561.18494	2.3
561.26898	1.0
561.34167	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	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01864	8.1
55.05514	35.9
55.56279	1.6
57.03426	7.0
57.07082	3.1
57.68433	1.9
59.04986	2.6
65.03914	2.3
67.05508	55.0
69.03424	5.1
69.07074	11.8
70.09782	8.5
71.05003	3.7
79.05077	3.4
79.05495	39.3
81.03436	9.7
81.06598	3.3
81.07060	52.5
83.04977	10.6
83.08628	18.4
85.02895	2.3
85.06540	3.1
86.58591	1.7
91.05489	33.5
93.06489	3.0
93.07050	39.4
93.07623	2.5
95.04958	8.0
95.08613	31.9
97.06515	8.4
97.10178	26.2
98.20821	3.0
99.08055	1.9
105.07035	31.2
105.17911	2.0
107.04940	5.4
107.08597	29.9
109.06516	3.1
109.10159	21.0
111.04447	6.1
111.08074	6.1
115.05399	2.6
117.07038	16.7
119.08578	25.9
121.06493	3.4
121.10130	17.1
123.08044	2.4
123.11696	5.7
125.09625	20.9
128.06265	2.6
129.07031	11.6
130.07828	2.3
131.08585	26.5
133.10127	19.8
135.08066	6.6
135.11690	14.0
137.09665	2.3
143.08600	9.5
145.10135	24.6
147.11682	9.9
149.09576	3.3
149.13246	4.1
153.09126	2.0
153.12733	7.1
155.08542	7.9
157.10147	9.0
159.11694	12.1
161.13272	8.6
163.11159	12.4
169.10124	5.6
170.10994	2.0
171.10220	2.6
171.11687	9.2
172.02597	2.3
173.09656	3.9
173.13246	10.3
175.11189	4.9
175.14844	3.9
181.10107	2.9
181.12201	6.8
183.11697	4.3
185.13243	6.5
187.14777	6.1
189.11269	13.1
189.12680	2.8
191.10667	4.1
191.14320	2.1
193.12306	3.5
195.11649	3.6
197.13232	4.5
199.14775	4.7
201.16354	4.0
209.13377	2.7
211.13266	2.3
211.15041	1.9
213.16426	3.2
227.12758	28.6
243.21066	3.8
245.13689	3.3
259.20621	6.1
261.22235	8.9
267.16037	2.7
277.21576	2.6
279.23492	2.1
283.15335	18.5
283.20358	3.0
285.16864	2.5
297.22147	2.8
299.23712	16.3
301.21625	6.0
317.24689	10.5
333.24191	4.8
335.25836	10.6
357.49179	2.0
415.29800	2.5
433.30762	7.1
451.31927	13.5
460.71942	1.9
469.33261	12.4
487.34161	8.6
499.34000	2.5
508.54153	2.2
515.37238	5.1
517.35120	2.2
525.35913	21.7
543.36835	100.0
561.37885	58.8
561.46661	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	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.9
52.03355	1.4
53.03942	4.0
54.02911	1.2
55.01875	7.2
55.05519	30.8
57.03445	5.3
57.07079	3.8
59.05000	1.7
64.03166	1.4
65.03959	2.5
67.05510	49.5
68.51598	1.5
69.03442	2.7
69.07071	13.9
70.80552	3.0
70.80891	2.0
71.04982	3.2
79.05502	34.8
81.03422	9.4
81.07066	50.8
83.04995	11.6
83.08629	16.8
85.02900	2.3
85.06541	3.8
88.77041	1.5
91.05491	30.3
93.07053	40.1
95.04971	7.1
95.08064	2.8
95.08624	36.0
97.06554	5.8
97.10188	20.5
99.08090	1.9
103.23223	1.7
105.04533	1.5
105.07037	32.3
107.04967	4.1
107.08607	31.7
109.06518	2.9
109.10160	23.4
109.84599	1.4
111.04456	7.0
111.08083	5.2
115.05502	1.4
117.07027	18.2
117.89169	1.4
119.08588	25.0
121.06525	3.8
121.10151	16.5
123.08098	4.5
123.11750	5.8
125.09652	21.8
128.06253	2.3
129.07028	10.8
130.07794	1.5
131.08592	23.1
133.10156	19.6
135.08089	3.3
135.11703	17.6
137.09642	3.3
137.13252	1.8
141.07013	3.7
142.07817	1.8
143.08586	7.0
145.06477	3.5
145.10130	21.2
147.08006	3.1
147.11694	14.7
149.09683	4.0
149.13292	4.5
153.12779	5.0
155.08560	5.1
157.10149	12.6
159.08095	2.8
159.11696	16.4
161.09604	1.9
161.13246	8.4
163.11166	11.5
165.12834	1.7
167.08626	2.8
169.10146	5.1
171.10364	2.5
171.11670	9.1
173.09808	2.0
173.13249	10.7
175.11214	3.3
175.14883	2.8
177.12794	2.5
181.10149	2.5
181.12286	4.3
183.11751	4.8
185.09758	1.9
185.13206	6.8
187.13327	1.7
187.14888	5.1
189.11275	9.3
189.12730	2.0
191.10765	2.2
193.12280	4.8
195.11749	1.8
197.13356	3.6
199.14879	4.3
201.16414	2.4
209.11693	3.4
211.13199	2.7
211.14944	3.3
227.12782	25.8
241.19554	2.2
243.21080	2.7
245.13721	2.6
246.97501	1.4
259.20551	4.1
261.19589	2.1
261.22162	13.0
261.57413	1.4
267.15997	2.5
273.22214	2.2
275.20126	1.9
277.21732	2.2
283.15472	11.4
299.23709	15.3
301.21667	2.2
315.23306	2.1
317.24783	8.5
325.21817	1.8
333.24338	4.4
335.25943	9.9
373.27411	1.9
386.50198	1.4
415.30240	2.2
423.32599	3.4
433.31256	7.8
451.32227	10.7
469.33130	11.6
487.34427	6.9
507.34741	2.1
515.37396	3.3
525.35858	20.2
543.36871	100.0
561.37933	56.1
567.79022	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	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29350	1.4
53.03940	4.1
55.01863	6.1
55.05512	36.8
57.03450	8.5
57.07067	2.3
59.05012	2.0
65.03948	2.7
67.05509	54.9
69.03429	3.2
69.07069	16.2
69.25552	13.1
69.85095	1.3
71.04990	4.1
76.46522	1.4
79.05495	46.2
81.03429	11.3
81.07060	55.4
83.01329	1.6
83.04987	13.3
83.08618	22.7
84.93883	1.2
85.02902	1.8
85.06577	3.3
91.05486	40.1
93.06486	2.9
93.07047	48.0
95.04961	10.1
95.08615	33.9
97.06548	4.9
97.10171	22.9
99.08102	2.3
105.07043	31.3
107.04957	4.6
107.08598	32.6
109.06524	4.7
109.10151	19.6
111.04440	7.6
111.08077	7.3
115.05439	2.4
117.07025	19.3
119.08598	26.4
121.06474	3.9
121.10146	20.4
123.08060	5.1
123.11709	5.7
125.09632	22.0
128.06219	2.3
129.07021	10.4
130.07803	1.9
130.25136	1.3
131.08559	23.7
133.10149	18.2
133.36168	1.6
135.08066	5.6
135.11691	18.2
137.09602	2.4
141.06996	3.6
141.81438	1.6
142.07814	2.3
143.08548	8.1
145.06418	2.2
145.10127	24.5
145.11171	2.3
147.11696	12.2
149.09622	3.6
149.13275	7.8
153.09166	2.3
153.12767	5.8
155.08592	7.8
156.09309	1.8
157.10126	8.2
159.08098	1.9
159.11719	13.2
161.09665	2.3
161.13248	6.5
163.11195	14.7
163.14885	1.9
169.10205	6.9
171.10353	2.8
171.11600	8.6
173.09613	3.3
173.13268	10.0
175.11223	3.9
175.14847	4.1
177.12831	1.9
181.10147	2.9
181.12274	6.3
183.11745	5.5
185.13257	5.3
187.11133	2.3
187.14839	6.0
189.11295	10.6
189.12794	2.9
191.10730	4.3
193.12239	3.8
195.11798	2.6
197.13383	3.0
199.14883	4.3
207.11697	2.3
209.11743	3.9
209.13393	2.1
211.13269	3.8
211.14996	2.3
223.14972	1.8
227.12785	36.0
227.17891	1.6
235.14909	1.7
241.19388	1.7
259.20682	5.0
260.17978	1.5
261.22147	9.6
267.16049	2.6
272.73932	1.5
277.21634	3.2
282.59637	1.5
283.15417	15.4
285.17035	4.2
297.22180	2.1
299.23618	9.5
301.21661	3.4
315.23624	1.5
317.24652	8.5
319.22632	2.0
333.24237	3.5
335.26004	9.7
339.23428	2.0
433.30988	8.3
451.32245	13.3
469.33112	9.2
487.33945	9.4
505.35251	1.7
515.37494	3.9
525.35889	22.1
543.36841	100.0
561.37891	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
53.71440	1.6
55.01865	6.5
55.05515	32.4
57.03429	6.9
57.07080	3.3
59.05024	2.2
65.03920	2.4
67.05130	2.9
67.05504	61.2
69.03425	4.7
69.07067	17.5
69.16760	4.7
69.17171	11.9
71.04996	3.9
71.08640	1.7
79.05494	44.1
81.03400	8.4
81.07059	52.2
83.01342	2.0
83.04991	10.6
83.08623	22.5
85.02933	2.3
85.06525	2.0
87.05540	1.5
91.05479	30.2
93.07048	40.6
95.04961	6.3
95.08607	32.2
97.06539	4.1
97.10168	23.5
104.26566	1.7
105.07043	29.8
107.04994	4.5
107.08585	28.2
109.06521	6.5
109.10149	20.9
111.04446	6.0
111.08086	5.5
113.67957	1.5
117.07035	17.3
119.08601	25.0
121.06556	3.2
121.10134	20.0
123.08109	2.5
123.11681	8.2
125.09626	18.3
128.36253	2.1
129.06992	8.9
131.08577	25.2
133.10136	17.2
135.08084	4.8
135.11728	15.5
137.09648	2.0
141.07019	2.1
142.07779	2.0
143.08583	10.3
145.06496	3.1
145.10129	25.3
147.08005	2.0
147.11691	12.2
149.09599	4.1
149.13219	4.7
153.09149	1.8
153.12762	5.6
155.08505	3.9
157.10172	8.9
159.11714	12.1
161.13261	8.3
163.11195	10.3
167.08542	2.4
169.10136	5.7
171.10287	3.3
171.11690	8.3
173.09619	5.3
173.12004	2.3
173.13258	11.9
175.14810	4.3
177.12877	2.3
177.16359	3.5
177.59299	1.8
181.10088	3.5
181.12273	4.1
183.11700	5.5
185.13263	6.3
187.14819	5.9
189.11229	11.5
191.10670	3.7
193.12256	2.5
195.11649	2.2
197.13350	3.8
199.14868	4.4
209.11642	3.5
209.13419	3.3
211.13261	3.0
211.14975	2.4
213.16255	2.1
225.16315	2.8
227.12767	24.6
241.19591	2.3
245.13853	3.1
251.17924	1.6
259.20685	5.4
261.22122	12.3
267.15970	3.4
273.22147	1.9
275.20212	1.7
277.21664	2.2
283.15344	13.0
297.22198	2.0
299.23703	16.0
301.21579	2.9
307.20752	2.1
315.23212	1.8
317.24710	9.6
333.24405	3.9
335.25842	10.8
357.24445	2.3
433.30914	6.4
451.32074	13.3
469.33044	10.8
487.34415	10.3
515.37061	5.9
525.35767	21.3
543.36859	100.0
561.37885	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	561.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72133	0.8
53.03949	1.3
53.54664	0.8
55.05520	4.3
55.05725	0.8
56.65000	0.8
57.03431	1.0
57.07066	1.5
62.53091	0.8
67.05502	4.6
69.07064	2.9
71.04977	0.9
71.53381	0.9
79.05498	3.7
81.03401	0.8
81.07054	5.1
83.08617	2.4
90.85303	0.8
91.05476	3.1
93.07034	3.5
95.08600	3.5
97.06508	0.9
97.10191	2.2
97.53709	0.8
100.60376	0.8
105.07009	2.7
107.08603	2.8
109.06579	0.9
109.10145	1.5
117.07005	1.8
119.08555	2.5
121.10133	2.3
124.53506	0.8
131.08548	1.4
133.10139	1.3
135.11697	1.3
145.10100	2.1
147.11699	1.3
149.13240	1.3
157.10059	0.9
175.14778	0.8
251.12604	6.1
269.49121	0.9
307.15195	3.4
311.25665	1.7
321.18912	0.8
529.38611	1.0
543.37378	1.1
561.37573	100.0
562.37756	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.3
55.05518	24.9
57.03427	7.8
57.07073	4.3
62.11580	2.3
67.05508	75.5
69.07067	24.6
71.05000	4.0
71.53438	4.7
78.87949	2.8
79.05499	60.8
81.03429	4.8
81.06589	5.3
81.07063	85.8
83.04980	10.4
83.08614	11.5
87.04423	3.0
91.05487	45.9
93.06483	5.6
93.07047	57.5
93.68147	2.5
95.04937	13.8
95.08617	44.3
97.06518	5.2
97.10159	7.1
105.04543	4.0
105.07040	29.9
107.04998	3.7
107.08601	19.1
109.06542	4.4
109.10191	15.3
112.64716	3.0
117.07028	7.1
119.08575	17.7
121.06554	3.9
121.10143	9.0
122.05634	2.9
123.08125	3.0
123.11710	6.8
129.07030	8.4
131.08595	4.7
133.10147	14.1
143.08624	4.6
144.03539	3.0
144.15451	3.0
145.10135	10.4
147.11691	28.6
161.09679	5.0
161.13272	8.7
171.11710	16.2
189.12782	7.7
190.09312	2.4
199.46111	3.1
207.13799	22.1
218.66901	2.5
249.84727	2.7
261.22391	3.4
263.23505	2.8
281.17450	40.9
286.69904	2.5
314.27802	4.6
337.27414	65.1
497.52100	2.9
543.40479	100.0
561.25281	4.0
561.38666	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	562.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.5
55.01867	4.0
55.05516	10.9
57.03431	4.6
57.07061	2.6
61.02925	3.6
61.88446	1.8
65.03934	3.4
67.05508	87.4
69.03144	1.8
69.03440	21.0
69.07073	13.1
69.46263	1.8
69.46596	13.8
71.04975	3.7
79.05500	21.9
79.68308	2.2
81.03421	23.2
81.07064	100.0
83.04929	2.0
83.08618	7.3
85.02914	49.9
86.60403	2.1
87.00825	21.1
89.32395	1.7
91.05478	14.5
93.07053	19.6
95.04984	4.0
95.08614	80.2
97.02895	19.0
97.10152	5.2
99.04445	7.1
105.01878	23.0
105.07033	9.3
107.08578	12.0
109.02884	17.3
109.10169	41.6
109.10920	2.1
111.04494	3.2
117.07036	5.1
119.08596	10.7
121.10178	11.3
123.08031	3.0
123.11726	29.1
125.09648	2.1
126.05478	2.1
127.03925	29.3
129.06984	4.2
131.08568	5.1
133.10152	5.7
135.08049	2.1
135.11687	5.6
137.06007	3.6
137.09627	3.9
137.13252	13.4
140.39813	2.0
145.04971	10.2
145.10129	6.2
147.11693	7.2
149.09607	3.8
149.13287	2.4
151.14786	4.9
159.02904	8.6
159.11717	4.4
163.14906	3.8
165.12825	2.8
171.11768	1.8
173.13295	4.2
175.11119	2.5
175.14893	2.5
181.12280	3.1
185.13202	2.0
187.14804	3.1
191.14328	2.6
193.12260	4.0
195.13826	5.1
209.15436	4.5
211.11342	2.0
213.04094	2.2
223.16968	6.3
231.04991	7.4
231.13971	1.8
243.20932	4.4
259.71036	2.0
261.22177	7.0
279.23209	91.6
369.24371	6.5
387.25134	6.7
405.26407	4.0
447.26862	2.9
451.74518	1.9
477.28259	3.4
491.26300	6.6
509.27438	3.5
526.35785	2.6
544.36761	4.6
562.37579	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02967	1.2
53.03186	2.1
53.03941	4.9
55.01883	2.5
55.05513	12.3
57.03440	12.6
67.05512	19.2
69.03442	4.2
69.07072	7.0
69.14751	13.1
71.01363	1.5
71.04989	2.9
73.02961	1.3
76.58071	1.0
79.05499	21.2
81.03424	88.2
81.07070	20.8
83.05002	9.1
83.08628	22.4
85.02917	14.1
85.06542	2.1
85.53754	1.2
91.05489	24.8
93.07051	13.8
95.04977	27.1
95.08618	8.7
97.02901	2.9
97.06522	3.4
97.10177	5.5
100.27270	1.4
103.49979	1.1
105.07043	17.9
107.04980	6.0
107.08606	8.1
109.06528	3.9
109.10168	4.5
111.04469	1.6
111.08083	7.6
115.05453	2.8
117.07024	2.8
119.08591	17.3
121.06522	2.5
121.10165	7.6
123.08085	2.3
123.11726	1.4
125.09637	3.4
129.07030	13.1
131.08585	13.6
133.06537	4.3
133.10123	8.9
137.09691	1.4
137.13332	1.6
141.06970	1.3
142.07811	2.6
145.06561	1.5
145.10117	2.6
147.08090	3.9
147.11652	11.2
148.12038	1.3
149.09541	5.9
157.10120	12.5
175.11223	14.1
189.12729	1.4
193.12251	33.9
211.13289	16.5
229.14378	1.5
233.15373	1.5
249.14995	1.2
255.13785	2.3
267.15930	100.0
273.14734	2.4
285.16992	18.0
287.16403	1.4
291.19443	1.4
349.21719	2.7
365.23291	2.5
367.22620	8.5
385.23749	8.7
403.24918	3.0
433.25974	9.3
433.31290	1.8
441.26288	5.3
459.27414	49.3
477.28546	42.6
477.35461	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04363	1.7
53.03940	5.5
55.01865	7.5
55.05269	2.8
55.05513	34.9
57.03438	13.0
57.07064	2.2
59.04993	2.2
65.03938	2.8
67.05509	86.7
67.98438	2.0
69.03416	6.6
69.07072	23.3
69.14653	19.8
71.04993	6.4
71.08625	2.6
79.05502	57.2
81.03434	28.6
81.07062	91.7
83.04990	13.7
83.08624	27.1
85.02906	10.6
85.06538	6.3
85.74908	1.9
91.05489	50.0
92.28461	1.8
93.06494	4.1
93.07053	55.1
93.07634	3.6
93.97426	2.3
95.04990	18.4
95.08614	61.0
97.06554	10.2
97.10165	19.5
98.21529	4.3
99.08088	4.7
105.04498	2.1
105.07039	47.5
107.05016	4.8
107.08599	39.9
109.06518	7.0
109.10168	36.5
111.04430	7.6
111.08085	13.5
113.06047	3.2
113.09643	3.0
113.48484	2.8
115.05446	3.3
116.72166	1.9
117.07037	16.3
119.08587	37.5
121.06547	2.6
121.10155	28.9
123.08083	5.2
123.11703	12.5
125.09626	11.3
128.06213	2.3
129.07025	13.7
131.08582	30.0
133.06430	2.4
133.10152	28.0
135.08046	4.6
135.11697	22.6
137.09644	4.0
137.13290	2.5
141.08885	2.0
142.07805	4.3
143.08592	11.7
145.10138	23.8
147.08022	2.8
147.11716	21.8
149.09627	7.2
149.13269	12.3
151.11223	4.1
152.49104	2.3
153.12753	6.7
155.08545	6.7
157.10110	18.6
159.11705	18.0
161.13289	6.9
163.11180	4.6
163.14813	3.1
165.12672	3.0
169.10141	4.9
171.11705	11.3
173.11972	1.9
173.13222	11.8
175.11195	7.6
175.14850	3.5
181.12201	6.5
183.11707	6.3
185.13239	7.0
187.14801	6.2
189.11182	8.0
189.16328	3.3
191.10736	3.3
193.12259	24.3
195.11646	2.1
195.13745	2.1
197.13234	3.7
199.14838	4.8
201.16347	4.5
209.13362	3.5
211.13292	39.3
227.12828	9.5
229.14304	5.7
243.21117	4.5
261.19406	1.8
261.22079	11.8
267.15872	7.2
269.17233	2.6
277.21579	3.9
279.23218	4.4
283.15421	3.1
285.16959	20.5
285.22134	4.1
299.23868	2.2
303.23190	6.8
315.23209	2.1
317.24915	4.9
320.72452	2.5
335.25873	23.7
351.25586	2.7
359.25775	4.8
417.31384	4.6
424.77927	2.2
433.29199	2.3
435.32785	11.7
453.33517	9.2
471.35010	13.4
473.32837	3.6
487.34143	4.2
491.34711	2.5
509.35950	4.4
527.37427	39.2
545.38354	100.0
563.26416	4.6
563.39484	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01870	5.3
55.05514	32.3
55.21456	1.8
57.03438	12.8
57.07066	4.8
57.30613	1.4
59.04994	1.8
63.45107	1.6
65.03925	3.9
67.05507	79.5
69.03421	3.8
69.07067	22.4
69.33582	4.2
69.33987	12.2
71.04996	7.6
71.08633	2.1
79.05497	53.7
80.05883	2.1
81.03427	32.8
81.07060	83.8
82.07399	2.0
83.03235	1.8
83.04981	11.8
83.06640	2.0
83.08624	24.1
85.02906	8.8
85.06541	4.6
90.11448	1.6
91.05486	44.5
92.05789	2.4
93.06490	3.5
93.07052	56.9
95.04983	16.7
95.08611	59.3
96.08910	1.7
97.02918	1.5
97.06527	9.4
97.10185	15.1
98.21605	2.6
98.98523	1.7
99.08093	5.0
103.05454	2.0
105.07037	43.5
107.04944	5.3
107.08598	39.0
109.06539	4.4
109.10161	33.1
111.04443	5.7
111.08076	8.5
111.10889	1.9
113.05984	2.1
113.09664	2.3
117.07011	11.6
119.07788	1.6
119.08583	34.3
121.06485	3.8
121.10146	29.0
123.08084	4.2
123.11732	12.0
125.09641	10.1
128.06274	2.1
129.07021	12.9
131.08589	30.4
133.06512	3.7
133.10133	24.5
135.08078	4.3
135.11691	21.0
137.09622	4.0
137.13287	2.9
141.06969	4.4
142.07883	1.9
143.08531	8.4
145.10132	20.8
147.11685	20.1
149.09615	3.9
149.13306	9.8
151.11201	3.1
153.12775	3.5
155.08565	3.2
157.10149	14.8
159.11705	17.7
161.13272	7.8
163.11208	4.7
163.14807	3.4
169.10136	5.4
171.11690	7.6
173.09573	2.8
173.11890	2.8
173.13289	10.9
175.11176	9.0
175.14905	3.7
177.12784	1.9
179.08617	2.2
179.14311	2.6
181.12277	4.1
183.11752	4.3
185.13254	4.7
187.14777	4.6
189.11246	5.0
189.12794	2.0
193.12238	24.2
195.11708	4.1
195.13797	2.1
197.13351	4.2
199.14885	4.7
201.16489	2.7
211.13287	30.3
211.15039	3.2
223.14961	2.1
227.12816	7.3
229.14340	5.0
239.18024	2.6
243.21117	4.1
251.78059	2.0
261.22168	20.6
263.19876	1.8
267.15970	6.1
269.16995	2.3
277.21555	2.8
279.23041	6.1
283.15353	2.2
285.16989	19.3
285.22034	3.7
299.23740	2.7
303.23141	5.6
317.24863	4.8
333.24295	2.1
335.25821	33.1
359.25592	2.5
400.99829	1.8
433.29379	2.0
435.32623	7.5
453.33640	9.1
471.35025	9.6
473.32483	2.3
487.34052	2.3
509.36298	2.3
527.37354	35.0
545.38385	100.0
563.39240	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	564.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
55.05513	19.8
55.88777	2.0
57.03439	18.2
57.07077	2.9
67.05508	69.4
69.07077	24.3
69.59191	12.2
71.04986	4.6
79.05496	42.7
81.06600	4.8
81.07063	80.5
83.04968	5.3
83.08617	11.0
85.06543	5.5
91.05485	20.7
93.06492	3.6
93.07053	65.1
95.04975	5.0
95.08618	38.3
97.06544	10.7
97.10212	2.5
99.08105	2.4
105.04495	2.5
105.07044	14.4
107.08595	31.6
109.06551	2.0
109.10189	12.6
111.08074	6.0
117.07010	6.8
117.65770	2.3
119.08588	10.0
121.06513	3.5
121.10159	25.9
123.11682	4.2
131.08586	11.7
133.10170	10.7
135.08035	3.1
135.11719	11.9
139.11028	2.1
145.10117	3.7
147.11691	7.1
149.12175	3.7
149.13269	30.1
159.11676	13.0
161.13339	4.9
173.13226	3.9
175.11136	6.1
177.12750	28.8
177.16368	1.9
184.15514	1.9
187.14844	2.5
195.13823	14.2
219.13834	13.1
241.12244	3.3
261.22144	10.9
269.17499	100.0
271.13309	3.3
317.24634	2.5
327.19629	7.6
335.25827	69.8
335.29965	3.5
407.22269	4.1
529.38916	87.2
536.26849	2.7
564.27362	21.6
564.39313	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	565.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51010	0.6
56.96564	20.3
61.02900	0.9
62.55490	0.5
67.55060	0.5
69.03419	2.0
69.41466	1.2
69.41862	4.4
70.11107	0.6
71.95241	0.7
73.02908	1.0
74.59805	0.5
74.97644	0.7
75.77322	0.6
81.03416	1.1
84.96030	6.5
85.02893	2.7
87.04472	0.8
97.02890	1.5
98.97581	61.9
101.00899	0.9
102.97038	0.9
105.00158	5.9
110.97565	23.8
110.98350	1.2
112.99156	2.0
116.98624	20.4
119.01912	2.5
123.01187	5.9
124.99134	3.7
127.00684	1.2
127.03934	1.9
128.98611	22.8
131.00162	2.2
131.01878	0.8
132.99602	0.6
134.99649	3.6
135.01193	1.6
136.99084	0.6
139.00690	1.4
140.98587	9.2
141.02217	2.2
143.00165	14.8
143.01897	1.4
144.98077	0.8
145.05009	1.5
146.99651	6.8
151.00670	0.9
152.00162	0.7
152.98621	3.9
153.01089	0.6
153.02208	3.4
155.00127	1.5
155.01936	1.6
157.03528	1.5
158.98315	1.3
158.99649	24.5
161.01242	8.9
161.02824	1.6
163.03897	3.7
164.04234	0.6
167.00195	1.0
167.03824	0.7
169.01775	1.1
170.99651	24.7
171.03336	1.3
173.01210	1.8
173.02844	0.9
174.99185	0.7
177.00734	14.1
177.02197	1.3
179.00116	7.8
179.02429	0.8
179.03816	2.0
181.01772	0.7
182.99646	18.9
183.01256	0.9
183.03241	0.7
185.01270	2.5
185.03003	1.2
185.04796	1.2
189.00716	19.7
191.02356	0.6
194.99686	1.7
195.01682	0.7
195.03363	1.2
197.01225	38.9
197.04875	3.8
200.02367	0.9
200.04190	0.7
201.00711	53.0
203.02269	2.3
205.00070	1.1
205.01793	1.0
207.01755	1.4
208.74513	0.6
211.02864	1.0
213.00693	6.6
215.02266	33.8
215.05869	1.8
219.01767	40.5
220.02646	0.6
223.02769	7.6
223.04558	0.9
224.02229	1.2
225.00562	0.7
231.01767	5.3
233.03351	2.4
233.08514	0.7
237.02814	27.0
238.03796	0.9
239.02272	13.5
241.03813	40.1
242.03464	0.8
243.01779	20.3
245.05084	2.2
253.03683	1.1
255.01468	1.0
255.03857	7.0
257.03250	5.7
259.04886	35.9
260.35480	0.7
261.02829	55.1
264.05350	0.8
264.07782	1.5
267.07184	0.6
269.03329	2.3
273.02783	5.6
275.02328	0.7
277.05978	1.5
279.03876	26.2
281.03397	0.6
283.04855	27.6
285.02817	1.0
291.03848	10.3
293.05478	0.7
295.04926	1.7
298.07266	0.8
299.04584	1.5
301.05939	11.4
301.09213	0.9
303.03940	2.0
305.07236	0.9
305.10928	0.7
309.05093	0.6
313.05884	8.7
321.04950	18.5
323.04388	1.1
324.07678	1.1
325.05728	1.3
327.03903	1.1
331.07098	1.1
333.04910	2.5
337.09897	3.8
341.05411	14.1
341.09152	1.1
343.06885	8.5
351.05917	4.7
359.06448	6.0
367.07062	3.7
369.05090	0.9
369.09903	0.7
381.07040	3.9
385.03000	1.1
385.08026	24.9
399.07986	2.9
403.09119	28.5
403.14438	1.4
431.10492	1.0
445.10172	0.9
489.17651	0.8
521.11749	22.8
547.13281	1.6
565.14404	100.0
566.14893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.2
55.01868	5.9
57.03430	7.5
60.29700	1.5
60.40805	1.4
61.02937	7.5
68.00719	1.5
68.99789	3.3
69.03433	33.5
69.61121	5.2
69.61530	3.3
70.06592	1.5
71.04995	3.7
71.66552	1.2
73.02908	5.5
81.03426	20.9
85.02910	100.0
87.00839	34.8
91.05504	2.5
93.07034	3.9
97.02898	32.5
98.96243	1.6
99.04469	12.8
103.03951	7.5
103.05475	1.4
105.01872	54.9
107.04943	3.6
109.02879	27.4
116.17854	1.7
117.07050	2.6
121.06512	39.0
127.03926	64.4
129.01860	2.2
129.76088	1.4
135.04410	4.4
135.08072	1.6
137.05957	3.7
145.02971	1.7
145.04971	23.0
145.06480	8.7
147.02924	2.8
147.04308	1.9
150.05458	1.8
155.08501	1.9
157.06419	1.8
159.02881	11.7
159.08142	3.6
163.03914	20.6
163.07529	9.3
164.07100	2.5
164.82491	1.8
167.07056	3.8
171.02942	3.8
173.06007	5.8
175.07561	2.0
183.08037	2.6
187.07532	15.3
189.03949	25.7
195.06702	1.7
201.09189	1.9
203.07033	1.8
205.08629	18.9
207.06577	2.1
207.78423	1.5
211.07591	5.1
213.03972	4.0
229.08618	23.6
231.05028	24.7
237.73544	1.6
247.03137	1.6
247.09709	22.0
249.06009	9.6
269.85742	1.3
280.56223	1.5
296.69751	1.9
305.15106	1.8
315.08707	3.2
333.09695	15.5
350.08270	1.5
351.10785	7.9
369.11816	18.0
384.11423	1.5
406.98105	1.8
566.17743	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	566.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65633	11.4
67.05476	17.6
69.21337	66.5
69.21755	51.3
81.07073	20.9
85.02905	15.7
93.07088	12.1
95.08596	13.4
105.07069	19.0
107.04954	13.3
109.06458	14.7
121.06517	14.6
131.04948	22.0
133.97035	11.7
137.05995	100.0
147.04466	17.2
149.06010	13.3
153.05469	48.7
161.06006	17.6
161.13176	14.2
167.07063	38.2
173.97075	12.8
175.06050	11.2
175.10843	11.4
178.52858	11.9
181.04970	19.0
234.70349	12.5
265.07928	11.6
308.09906	15.9
339.12317	17.2
340.12442	22.0
340.29962	13.9
341.13837	41.3
359.14880	47.9
556.06061	12.9
566.25623	41.2
566.42218	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.05501	1.7
57.07066	0.6
60.20218	0.4
61.02935	0.5
66.88564	0.3
67.05502	2.6
67.13114	0.4
69.03416	1.3
69.07063	1.3
71.52201	0.5
73.02920	0.6
81.03425	0.9
81.07077	2.1
82.46885	0.4
83.08597	0.5
85.02914	4.0
87.00813	1.4
91.05471	1.1
93.07043	0.8
95.08617	11.3
97.02898	2.2
97.10160	0.8
99.04468	0.5
105.01873	3.6
105.07008	1.4
107.04963	1.1
107.08599	0.6
109.02882	1.4
109.10163	18.4
117.07018	0.5
119.08572	1.8
121.06470	0.7
121.10191	0.5
127.03934	3.7
128.06227	0.3
129.07013	1.1
131.08568	0.8
133.06500	4.8
141.07057	0.4
141.55116	0.4
144.05708	0.6
145.04924	2.5
145.06473	3.0
145.10201	0.4
147.08057	40.5
147.11667	1.0
149.09636	3.0
157.06487	3.2
157.07657	1.8
158.07304	0.5
159.02879	1.3
159.08069	4.8
163.11197	2.0
171.08067	4.9
172.08858	1.9
173.09666	1.4
175.11192	6.8
177.12778	0.6
183.08081	0.7
185.09610	4.5
186.10423	0.7
187.11197	12.6
189.12756	100.0
196.08826	0.4
197.09648	0.8
198.10397	0.8
199.11240	4.6
201.12755	10.2
211.11195	0.6
213.12759	7.4
215.14357	1.3
225.12740	1.4
227.14336	4.4
231.05035	2.5
233.19963	0.3
240.15025	1.2
241.15875	11.4
248.07681	0.5
249.06056	1.2
254.16699	0.8
283.20590	53.7
284.09747	3.6
300.16983	0.4
300.20416	1.0
550.73975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59192	1.0
53.03933	2.6
55.01866	1.9
55.05508	3.3
57.03437	2.4
59.37665	1.1
61.02906	1.1
61.51091	1.2
62.97935	1.1
63.30492	1.2
67.05511	8.0
68.99788	1.3
69.03144	1.1
69.03440	11.0
69.07068	3.0
69.31923	7.6
71.05000	1.7
73.02909	2.7
79.05481	3.1
81.03413	7.6
81.07059	5.4
83.04977	1.4
83.08622	1.3
85.02438	2.1
85.02913	26.2
87.00845	8.2
87.01332	1.6
91.05476	2.7
93.07032	2.6
95.08621	21.0
97.02901	9.0
97.06543	1.4
99.04454	3.9
103.03933	1.4
105.01904	8.2
105.07033	2.4
107.04981	2.4
107.08598	2.4
109.02887	7.9
109.10168	23.4
115.03900	1.9
117.07021	1.8
119.08582	2.6
121.06509	2.6
121.10168	3.3
123.11717	2.0
127.03929	17.1
129.01822	2.2
129.07019	1.4
133.06511	9.4
135.11743	2.0
137.05954	2.0
143.08575	1.7
145.05031	6.8
145.06477	3.7
147.08052	33.5
147.11670	2.2
149.09613	10.3
157.06511	3.1
159.02893	3.1
159.08058	3.2
163.11177	4.9
171.08052	9.4
172.08827	1.7
173.09607	2.7
175.11182	11.2
183.07971	2.2
185.09637	10.4
186.10507	1.4
187.11165	9.4
189.09175	1.6
189.12762	38.5
192.77098	1.1
197.09639	2.9
198.10498	1.2
199.11194	10.4
201.12741	8.0
211.11166	2.3
213.12767	13.3
227.14375	6.3
231.05046	6.3
231.13820	4.9
239.14337	4.4
240.15048	2.3
241.15945	17.5
249.05962	1.2
253.15826	1.2
255.17293	1.5
269.60904	1.5
281.19128	5.8
283.20590	100.0
293.18713	1.3
307.20685	1.5
401.15866	3.2
419.17072	4.5
425.77133	1.1
437.17981	4.3
487.25885	1.5
495.23926	1.7
513.24811	2.0
531.25940	23.9
566.20587	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	19.8
57.03436	12.1
57.07070	7.9
58.57873	3.5
59.91308	3.4
65.42245	4.3
67.05183	6.0
67.05508	67.8
69.07074	25.3
71.04996	5.3
71.54620	7.5
79.05520	24.1
81.07067	79.7
81.19891	3.6
81.20429	3.5
83.08627	14.2
85.06532	5.3
91.05482	16.1
93.07056	38.8
95.08601	37.0
97.06551	9.5
105.07040	14.7
107.08591	26.6
109.10170	16.7
111.08088	5.7
117.07058	4.8
119.08608	11.4
121.10123	16.2
123.11741	7.2
131.08582	8.6
133.10129	9.3
135.11720	8.1
138.66945	4.3
141.60114	4.5
147.11650	4.5
149.13289	24.4
159.11678	12.1
177.12793	5.2
195.13776	12.0
269.17511	83.4
337.27402	69.3
337.98807	4.5
405.32745	4.7
531.33160	4.1
531.40472	100.0
564.04315	4.2
566.40656	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	567.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
54.11792	1.0
55.01860	2.3
55.05492	1.0
64.58435	0.9
65.03941	6.7
67.05498	2.0
70.19174	3.7
77.03939	1.6
78.04697	3.8
79.05494	7.9
81.03408	1.9
81.07055	2.8
82.04217	1.5
85.02917	2.3
85.06527	0.9
90.54912	0.8
91.05485	12.5
93.03397	4.7
93.07076	1.5
94.04176	1.6
95.04961	3.1
95.08605	1.5
97.06561	1.7
100.11249	1.9
103.05486	6.1
105.03394	1.4
105.07037	12.8
106.04186	1.3
107.04955	13.3
107.08585	1.3
109.06520	1.9
110.03659	8.0
111.04441	7.9
115.05447	7.1
117.07018	2.5
118.04166	2.1
119.04943	7.4
119.08567	2.9
121.02887	1.1
121.06469	3.7
122.03632	2.9
123.04416	6.5
124.05201	3.2
125.06027	7.0
128.06195	4.1
129.07022	7.7
131.04910	5.7
131.08595	1.5
132.05721	2.2
133.02849	3.9
133.06483	9.2
134.03603	1.1
137.05977	20.9
139.07472	1.2
141.07013	1.3
144.05692	2.1
145.06479	3.6
146.03621	1.1
146.07295	1.3
147.04398	10.2
147.08000	2.8
149.05992	2.8
151.03902	3.9
151.07539	5.7
152.04669	2.8
153.05470	36.2
155.04941	1.9
156.05699	1.4
157.06464	1.4
159.08064	8.4
159.09296	1.4
160.05197	2.2
161.05984	14.9
163.03893	1.6
163.07497	1.3
165.05487	1.9
167.07047	100.0
171.04439	1.1
171.08020	1.7
172.05226	2.9
173.06012	2.2
175.04097	1.0
175.07549	23.5
176.04713	1.3
177.05472	3.6
179.07037	7.5
181.04953	4.0
181.06398	1.5
182.15450	1.3
184.05261	1.4
185.06007	2.7
186.06714	1.6
187.07538	23.8
189.05466	4.8
189.07007	2.1
189.09099	1.7
190.07802	2.7
191.07030	7.8
191.08551	3.2
193.08624	1.3
193.10199	1.7
195.06505	1.9
197.05902	1.2
199.07536	8.1
201.09082	1.3
202.07777	4.0
203.06905	1.9
203.08588	5.7
205.06483	2.6
205.08440	1.3
205.10202	1.5
206.07306	3.3
207.06464	3.2
207.08110	2.3
209.08054	3.2
213.09209	1.2
215.06799	1.1
215.08623	2.2
216.07785	2.2
217.06514	1.5
217.08495	1.5
218.07341	5.5
219.08038	8.9
220.08781	2.7
221.05972	2.9
221.09662	3.4
223.07497	1.7
229.06430	1.1
229.08589	3.9
231.08051	4.9
232.08737	1.4
233.05914	2.5
233.09613	3.9
234.06752	5.1
235.07526	4.7
235.09557	1.3
236.08304	2.6
237.09138	2.4
243.08017	1.7
245.05943	1.4
246.06721	3.2
247.07570	4.1
248.08333	5.1
249.09109	9.0
250.09863	1.5
251.07002	3.0
251.10748	4.9
255.09897	1.1
258.06781	1.2
259.07513	4.3
260.08383	1.7
261.05478	3.6
261.09229	5.8
262.06244	2.1
263.06958	4.1
263.10733	2.4
264.07794	5.9
265.08609	7.4
266.09286	2.0
274.06158	1.3
275.07101	3.6
276.07874	8.9
277.08585	9.0
278.09409	3.3
279.06824	1.4
279.10159	3.3
281.11713	10.0
283.09769	1.6
283.81790	1.2
288.07858	1.8
289.08524	5.1
290.09280	2.1
291.10117	4.8
292.07458	1.2
293.08194	5.2
293.11340	1.8
294.08859	2.3
295.09760	2.0
303.10123	1.4
304.07358	2.1
305.08096	3.2
306.08777	2.4
307.09656	15.1
308.10373	4.3
309.11136	12.0
313.10709	1.1
319.09592	9.2
320.10428	1.9
321.07635	1.8
321.11200	9.6
323.09311	1.6
323.12619	4.6
326.11557	1.8
329.10138	2.0
336.09845	1.5
337.10593	2.6
337.14410	1.3
339.12271	56.1
340.12607	1.1
341.13858	20.0
351.12268	23.7
353.13818	9.9
356.15720	2.1
369.13281	1.8
374.16913	1.6
439.68167	1.0
478.16211	1.5
567.19775	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	567.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	3.0
53.03944	6.5
55.01865	13.1
55.05505	9.1
57.03446	3.3
65.03961	5.5
67.05511	31.9
68.44489	3.0
69.03438	22.4
69.07066	21.8
70.28596	6.0
70.28945	3.6
71.04979	11.5
75.46191	2.8
76.47025	2.8
79.05500	30.8
81.03412	11.4
81.03893	3.4
81.07059	75.7
83.04986	56.9
85.02905	16.0
85.06538	12.5
91.05489	32.2
93.07055	45.5
95.04969	72.5
95.08604	7.8
97.02902	17.0
97.06534	55.0
99.04446	26.2
99.91588	3.3
103.03931	6.6
103.05498	5.0
105.07034	78.4
105.07697	5.8
107.04959	12.8
107.08584	28.0
109.02883	8.8
109.06522	60.0
111.04437	5.5
111.08096	7.0
113.06011	3.6
114.04687	3.1
115.05441	6.6
117.03442	3.3
117.07022	15.4
119.04962	13.3
119.08588	24.2
121.06516	32.1
121.10134	18.9
123.04444	19.0
123.08069	7.3
125.06003	82.7
127.03931	7.0
127.07581	18.7
128.06210	7.0
129.06989	9.5
130.07808	9.0
131.04977	4.9
131.08575	27.6
133.06517	19.8
133.10138	7.3
135.04453	6.5
135.08054	9.2
135.11749	8.4
137.05984	81.2
141.05443	5.5
141.07030	4.4
143.07053	53.4
143.08545	13.7
144.09372	4.3
145.06522	13.7
145.10133	99.4
147.08069	14.5
147.11760	3.9
149.05997	8.4
149.09601	11.2
149.60124	3.0
151.07564	15.8
153.05472	9.7
154.07785	6.9
155.07060	5.5
155.08609	4.3
157.06535	5.8
157.10129	8.2
158.07236	5.6
159.08046	11.9
159.11702	43.3
161.05977	22.7
161.09593	6.9
163.07608	5.7
163.11186	39.1
165.05476	27.2
167.07062	5.9
169.08791	4.0
169.10104	20.8
171.08087	3.9
171.11723	4.4
173.06046	4.4
173.09624	66.9
175.07597	12.9
177.05510	6.1
177.12758	11.2
179.07043	8.5
181.04861	3.9
181.12254	4.0
182.07300	3.3
185.06039	9.4
187.07550	7.2
187.11185	100.0
187.12840	6.1
189.05519	4.2
189.09026	3.9
189.12730	4.7
191.06961	8.2
191.10681	42.9
193.08620	4.6
197.09637	11.5
199.07558	6.5
201.09169	4.0
203.07033	22.1
203.10512	3.1
205.08649	6.1
205.12248	65.7
209.11740	64.5
215.10674	66.7
217.08614	6.4
221.08096	12.6
223.13330	8.5
227.07030	9.6
229.12265	4.0
233.11746	75.8
241.08760	3.3
245.08087	14.6
251.12820	93.5
257.11823	11.1
263.09164	12.4
267.12317	4.9
269.13861	32.9
275.12793	11.3
293.13791	5.7
311.14951	9.6
317.14093	5.5
335.15085	7.0
359.14859	8.3
371.16983	12.0
377.15961	26.6
387.18365	4.6
395.17111	24.3
413.18155	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	567.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01874	4.9
55.05305	1.9
55.05516	21.2
57.03446	4.7
57.07079	13.7
65.03942	2.6
67.05180	3.3
67.05514	46.0
68.99775	2.8
69.03433	22.3
69.07072	49.5
69.83327	11.2
71.04990	16.8
71.08629	8.1
73.02934	3.3
75.60072	1.9
79.05061	3.3
79.05498	28.4
81.03419	18.8
81.07065	98.7
83.04991	3.7
83.08628	29.3
85.02439	2.8
85.02915	32.8
85.06549	16.7
85.10168	2.0
87.00828	15.1
87.04472	3.7
91.05489	11.0
93.07047	33.4
95.04987	5.1
95.08612	100.0
95.50109	2.0
97.02895	13.8
97.06538	6.2
97.10185	23.0
99.04445	6.4
99.08099	5.1
103.05486	6.5
105.01879	10.7
105.07030	9.1
107.04964	9.3
107.08589	28.1
109.02898	15.4
109.06555	2.3
109.10162	62.2
111.08052	4.5
111.11705	16.3
115.05421	2.2
117.07015	3.2
119.08603	5.5
121.06524	3.1
121.10152	32.6
122.03681	7.4
123.04405	4.4
123.11717	25.4
125.09641	6.6
125.13290	7.1
127.03931	27.6
127.11187	3.9
129.07008	2.2
131.04927	13.1
131.08569	3.8
133.06526	3.2
133.10193	3.2
135.04396	4.7
135.11700	33.1
137.05986	89.8
137.13266	21.3
138.06421	8.0
139.11168	3.7
143.04951	2.5
145.04967	4.3
145.06429	2.5
147.04437	2.5
147.08145	2.7
149.13264	23.1
151.03870	4.3
151.07553	9.9
151.14848	14.5
153.05511	2.1
159.02914	3.6
161.05969	7.0
163.03891	7.0
163.07613	5.8
163.14833	14.1
165.16379	9.9
167.07051	19.8
173.09618	2.2
175.07593	7.3
177.05623	2.3
177.16414	11.4
179.07053	2.3
179.18105	2.3
181.04951	2.6
181.08557	5.2
189.09103	3.0
191.07014	7.3
191.17952	9.2
202.00339	2.1
205.19574	2.8
213.00606	5.1
215.00232	2.6
231.05054	4.7
247.24242	52.9
265.25266	27.8
277.08582	3.1
283.26270	23.2
291.10281	2.2
297.11093	2.5
299.12686	2.2
301.27405	53.1
327.12164	2.8
330.45782	2.1
341.13983	3.2
358.14148	8.7
359.14594	4.3
387.14371	7.7
391.28531	2.3
415.06952	2.8
416.07443	6.6
417.07489	7.2
418.07129	8.8
437.65207	2.2
469.31714	4.3
477.28577	2.9
495.29538	2.7
513.29907	2.8
567.28534	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	568.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03940	1.1
55.01863	1.6
57.03441	1.0
61.02906	1.7
69.03430	4.5
70.49493	1.1
70.49832	1.9
74.07225	0.7
79.05486	3.4
81.03422	7.9
81.07040	1.3
85.02907	14.0
91.05495	2.1
93.03416	1.0
94.04192	2.1
95.04984	1.6
97.02882	4.7
99.04469	0.9
103.05475	3.2
107.04942	8.3
109.02908	1.1
115.05442	9.5
116.17930	0.8
117.07021	13.7
122.03634	2.5
123.04425	2.5
124.05272	1.2
127.03885	2.2
128.06253	2.0
129.06992	6.2
131.04942	4.2
131.08562	3.2
132.05617	1.0
133.06546	1.4
137.05981	78.2
141.07059	1.5
143.04935	7.2
144.05711	4.4
144.06670	1.1
145.04967	4.0
145.06482	28.0
146.03642	1.1
146.07150	0.8
147.04305	1.0
147.08054	1.7
147.49280	1.0
151.03911	1.5
151.07536	1.4
152.04715	1.3
153.05455	2.1
155.06044	5.1
156.05739	4.4
157.06476	6.5
158.07283	1.0
159.08043	6.9
160.05180	13.6
161.06024	4.3
162.07648	1.9
163.07579	1.8
167.07036	31.4
169.07600	1.1
172.05209	2.3
173.05980	48.3
174.06764	2.5
175.07549	100.0
177.05415	2.0
177.09158	1.7
180.08667	6.8
183.06432	1.6
184.05219	1.1
187.07542	37.2
189.09143	6.9
190.06259	21.5
190.07991	1.0
191.07057	2.4
193.08658	2.4
202.06187	2.6
203.07033	7.9
205.08603	96.7
206.09065	1.2
217.08595	39.3
218.07265	1.3
219.10184	2.9
223.09702	2.1
233.09648	2.2
234.06749	1.4
235.09648	59.1
239.06963	0.9
241.08569	3.0
246.06808	1.4
247.09628	7.7
249.09125	2.5
251.07077	0.9
251.10698	0.9
261.09174	4.2
263.07199	1.2
265.10718	49.3
266.09384	1.3
269.07880	1.1
277.08588	3.2
278.09354	2.3
281.11798	2.6
285.07526	5.3
289.08676	1.2
291.10016	1.1
293.11691	3.5
300.09912	6.0
301.10663	3.8
309.11194	3.8
313.10800	1.4
321.11227	5.8
322.12039	1.0
326.11444	2.1
338.11581	2.2
341.13770	5.9
353.13803	14.1
371.14890	34.0
371.19717	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03451	0.7
65.03940	2.4
66.68465	0.7
69.19334	6.5
69.19753	1.9
70.64052	0.7
79.05472	0.7
91.05494	6.9
93.03397	3.7
93.07064	1.1
95.04977	1.3
103.05477	2.0
105.07034	1.1
107.04963	3.4
108.05762	1.2
111.04449	3.7
115.05484	1.8
117.07031	2.3
119.04943	2.7
121.06541	7.0
122.03711	1.7
122.97112	0.9
123.04433	1.0
125.05984	6.2
131.04930	5.0
133.06534	1.7
135.08022	0.9
136.05215	3.5
137.05989	26.9
143.04912	1.8
145.06491	3.8
146.03612	2.4
146.07286	9.0
147.07959	1.9
149.05972	6.3
151.07556	74.2
153.05484	12.2
153.06657	1.5
157.06572	1.0
160.05208	1.6
161.06000	16.0
162.06770	3.7
163.07581	8.5
165.05562	1.8
165.07005	8.8
165.09160	2.2
167.08598	1.9
171.67064	0.9
174.06781	2.2
175.07587	15.8
177.05717	1.1
177.09125	33.1
177.10695	1.6
178.07764	1.0
179.07166	1.0
179.08595	3.2
181.06494	1.5
182.07254	4.1
183.08075	0.9
187.07570	2.4
188.08443	1.4
189.07428	1.1
189.09119	21.7
191.07036	1.3
193.06541	9.9
194.07204	1.3
195.08124	2.7
196.08803	2.4
197.09668	1.7
199.07591	1.9
201.05470	1.5
201.09186	2.5
202.07843	0.9
203.10674	4.1
207.08084	2.7
209.05974	2.0
210.06778	8.3
211.07526	2.1
213.09064	1.6
217.08537	1.0
221.05995	27.0
222.06757	1.4
223.07565	1.1
224.08322	5.9
225.09126	19.0
227.07118	1.8
227.10693	3.7
235.07501	3.3
238.06267	7.1
239.07094	1.6
239.10587	4.1
242.09323	1.1
247.09697	3.4
252.07872	5.0
253.08614	31.3
254.09366	2.6
255.06551	3.1
255.10204	1.2
267.10211	17.3
269.08057	1.2
270.08838	4.5
285.11237	80.8
287.12906	1.6
291.10391	0.9
297.11563	1.2
299.12851	4.5
305.11777	1.8
311.12585	1.0
312.11783	0.9
319.13452	1.7
320.14099	1.1
325.10812	1.9
337.14175	1.4
339.12228	0.9
347.12778	0.9
351.11783	1.7
351.15906	20.7
355.15555	2.6
369.16995	32.5
379.15573	4.1
397.16565	14.1
421.15173	1.0
471.18335	1.2
475.20831	1.3
485.19763	1.9
489.19147	1.1
503.20648	23.1
521.21771	100.0
522.21442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01867	1.2
55.05514	5.5
57.03434	0.8
57.07063	1.4
67.05508	0.7
68.05320	0.4
69.03424	3.7
69.06728	0.6
69.07069	6.6
70.06930	2.0
71.04981	0.4
73.02898	1.4
79.05489	1.0
81.03415	3.1
81.07047	1.4
83.08616	4.5
85.02907	13.3
85.10179	0.5
87.00822	4.8
91.05463	0.7
93.07069	0.5
95.08596	0.7
97.02891	4.1
97.10172	4.2
99.04456	1.7
105.01863	10.3
107.04932	1.4
107.08562	0.5
108.04493	0.8
109.02879	3.4
109.10130	0.9
111.11700	1.2
117.07033	0.5
119.08517	0.6
121.06454	0.7
123.11694	1.8
127.03925	8.0
131.08560	1.1
133.06487	5.7
137.05954	0.5
137.13293	0.8
144.05725	0.6
145.04977	4.3
145.06493	5.9
146.07281	0.5
147.08043	12.7
149.08450	0.7
149.09633	12.2
155.08522	0.9
157.06435	0.6
157.07605	0.9
159.02896	1.8
159.08058	10.5
161.09622	3.5
163.11171	1.4
172.08792	0.5
173.09619	5.4
175.11194	12.3
177.12714	1.6
185.09592	0.6
186.10399	1.7
187.11189	12.2
189.12743	37.6
199.11235	0.6
201.12749	35.2
203.14331	4.7
213.03955	0.6
215.14330	13.0
217.15947	0.6
225.16322	0.6
229.15872	8.3
231.04959	3.4
242.16682	0.7
243.17456	9.1
249.06062	3.1
253.16954	0.5
283.20575	0.7
285.22122	100.0
424.28198	0.5
568.32037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.1
53.18173	1.1
55.01873	6.0
55.05511	2.8
57.03428	5.2
61.02924	4.7
61.15450	1.1
62.81391	1.3
65.75180	1.4
68.99785	2.8
69.03094	2.0
69.03436	30.8
69.07055	2.7
71.04974	3.0
72.05303	1.0
72.30122	1.2
73.02919	4.8
81.03422	25.1
81.07047	1.8
83.08608	2.7
85.02911	96.5
87.00315	2.2
87.00836	42.0
91.03967	1.4
95.08605	2.3
97.02899	23.6
97.10166	5.3
99.04456	16.1
103.03886	1.4
105.01873	53.2
105.02588	2.5
106.38119	1.1
108.04490	1.6
109.02888	27.6
111.11756	2.2
115.03925	1.7
116.87854	1.2
117.01864	2.9
119.08568	1.4
123.11698	2.5
127.03931	61.4
128.06165	2.2
129.01848	2.5
133.06509	7.5
145.04971	27.6
147.07158	0.8
147.08047	31.0
149.09628	34.8
157.07610	3.3
159.02885	13.3
159.08093	2.3
161.09666	4.3
167.14299	1.2
172.09326	1.1
173.09599	1.3
175.11182	13.3
176.11279	1.2
189.03954	3.4
189.12756	100.0
201.12776	5.2
203.14320	11.8
213.03972	4.0
231.05008	24.9
234.37726	1.4
243.17519	1.7
249.06093	7.4
249.08438	1.5
266.17947	1.1
285.22141	44.9
301.21527	4.1
303.23227	5.4
552.14136	1.4
568.30176	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	568.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01863	0.7
55.05506	1.0
57.07082	0.5
61.02919	0.5
63.56697	0.4
67.05498	0.4
69.03432	3.2
69.07068	1.0
70.64500	0.5
70.64849	0.8
73.02910	0.4
73.07116	0.4
77.90350	0.4
81.03416	1.9
81.07042	0.6
83.08617	0.7
85.02909	9.9
87.00827	4.3
91.05470	0.8
95.08566	0.4
97.02886	3.0
97.10197	0.8
99.04462	1.1
105.01869	8.2
105.06997	0.5
107.04948	0.8
108.04456	0.9
109.02884	2.7
109.10130	0.4
119.08579	0.7
123.11720	2.4
126.05457	0.5
127.03919	6.8
131.08531	0.4
133.06479	1.8
137.13235	1.2
145.05006	2.8
145.06442	1.1
146.07286	0.7
147.02905	0.4
147.08052	24.4
149.09621	10.8
157.07605	2.6
159.02922	1.3
159.08041	3.2
161.09570	0.6
172.12265	0.4
173.09587	1.7
175.11191	2.5
177.12724	0.6
187.11211	1.2
189.12746	100.0
190.13110	0.4
201.12746	8.0
215.14284	4.1
229.15886	1.0
230.06351	0.5
231.05061	3.0
243.17455	1.0
248.07713	0.6
249.06102	3.2
266.08670	0.8
283.20599	0.8
285.22131	26.5
303.23224	1.1
311.92038	0.4
568.31110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42017	0.8
53.03938	2.5
55.01862	2.6
55.05515	7.7
57.03419	1.2
57.07059	1.8
59.49959	0.6
61.02910	1.1
67.05486	1.8
68.99797	1.0
69.03434	7.0
69.07069	12.4
69.34689	5.3
70.06583	0.6
71.04996	1.2
73.02906	1.3
73.66476	0.5
73.96124	0.6
79.05473	1.2
81.03421	7.7
81.07063	3.5
83.08632	6.3
85.02910	22.3
87.00835	9.9
91.05487	2.3
93.07043	1.4
95.08604	1.6
97.02895	8.8
97.10183	7.5
98.21475	1.0
99.04465	3.7
105.01869	12.8
105.07022	1.4
107.04959	2.5
107.08611	0.7
108.04477	1.6
109.02899	7.2
109.10164	2.2
111.11731	7.0
115.05426	0.8
121.06523	1.5
121.10169	1.2
123.11745	4.5
127.03925	16.5
129.01854	0.9
129.07005	0.9
131.08537	1.1
133.06511	11.0
135.08046	0.7
137.05948	0.6
141.06981	1.2
144.05702	0.7
144.79744	0.6
145.04971	6.2
145.06483	10.5
145.10188	0.7
147.08055	22.1
147.11717	0.7
149.09631	16.6
149.13335	0.9
157.06456	0.8
159.02951	4.4
159.08069	16.8
161.09622	7.1
163.11224	2.0
172.08841	0.7
173.09628	8.3
175.11194	15.3
177.12737	2.3
183.11700	0.9
183.42400	0.7
186.10413	2.8
187.11192	13.9
189.12752	55.6
195.10298	0.9
199.16914	4.0
201.12758	48.9
203.14339	7.0
213.03844	0.9
215.12285	1.0
215.14339	17.0
215.16365	1.4
229.15900	12.0
231.04984	5.4
243.17458	10.4
248.07661	1.5
249.06015	3.3
283.20584	1.8
285.22147	100.0
488.76483	0.7
568.32062	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	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92585	1.5
53.03945	2.8
55.05516	10.3
57.07081	6.4
65.03933	4.2
67.05508	20.6
69.03426	2.0
69.07074	10.9
69.24929	11.8
71.08640	1.6
79.05495	27.2
80.06262	2.9
81.07059	38.1
83.04972	2.5
83.08612	5.3
85.06551	4.2
91.05480	42.0
92.06285	2.0
93.07048	58.5
93.07644	2.8
94.07824	2.0
95.04974	44.7
95.08608	29.9
95.09540	1.3
97.06525	2.1
103.05468	4.3
105.04512	2.3
105.07034	92.7
106.07822	4.4
107.08606	44.5
108.09368	1.6
109.06528	5.6
109.10165	19.8
115.05450	5.5
116.06185	1.5
117.07027	30.0
118.07858	2.7
119.08588	100.0
120.09402	7.8
121.06512	2.6
121.10149	34.5
123.08083	17.7
123.11707	7.9
124.93185	1.4
125.09661	1.8
128.06218	11.0
129.07021	22.2
130.07787	10.3
131.08575	51.9
132.09370	12.4
133.10130	58.3
134.10938	6.6
135.08087	7.5
135.11714	19.9
137.09573	7.1
138.10391	9.3
139.11182	2.0
141.06987	10.1
142.07800	19.8
143.08566	46.3
144.09352	15.2
145.10127	95.3
146.10878	5.8
147.07990	2.4
147.11708	24.2
148.12523	1.4
149.09598	7.3
149.13268	4.9
151.11191	4.5
153.07010	3.0
154.07761	3.4
155.08549	15.4
155.91982	1.3
156.09348	17.4
157.10135	51.6
158.10945	12.7
159.11700	41.9
159.13036	1.9
160.12483	5.9
161.09584	6.2
161.13245	7.2
163.11208	3.2
163.14848	2.6
165.07071	4.6
166.07742	3.1
167.08565	8.3
168.09381	4.7
169.10127	28.8
170.10902	11.6
171.11703	36.2
171.13170	2.3
172.12477	6.0
173.09712	1.5
173.13274	31.2
174.13989	2.1
175.11182	2.4
175.14824	23.2
177.12735	5.1
178.07799	1.9
179.08563	9.9
180.09346	4.5
181.10114	19.1
182.10924	8.0
183.08081	1.3
183.10069	2.0
183.11690	28.9
184.12491	5.1
185.13281	26.9
186.13995	7.2
187.14828	16.6
189.12723	5.0
191.14331	8.5
192.09372	4.0
192.15062	3.1
193.10233	7.3
193.15981	1.6
194.10994	9.3
195.11685	19.8
195.13374	1.7
196.12508	8.3
197.13269	28.6
198.14026	5.3
199.11263	1.8
199.14822	14.1
200.15543	2.7
201.12778	4.2
201.16406	7.4
203.14342	2.7
205.10226	2.2
206.10965	3.9
207.11694	12.3
208.12486	4.7
209.13283	29.8
210.14095	3.7
211.14832	20.1
212.15579	1.5
213.12711	1.6
213.16414	5.9
215.14415	1.9
215.17889	1.4
217.15926	5.4
218.16728	2.0
219.11818	1.9
219.17456	2.6
220.12450	3.5
221.13277	9.2
222.14023	3.0
223.14816	13.3
224.15601	4.1
225.16444	9.0
226.17143	2.1
227.14226	1.9
227.17926	2.6
229.15974	1.3
231.11722	1.5
231.17586	1.8
233.13264	4.4
234.13953	1.7
235.14757	8.0
236.15535	1.8
237.16360	10.7
238.17128	1.6
239.17990	6.6
241.19540	3.7
243.17601	1.4
245.13248	2.0
246.14220	1.6
246.19829	2.0
247.14865	3.2
249.16295	6.2
251.17987	4.2
253.19771	2.1
255.17368	2.6
257.19016	2.6
259.14926	2.0
259.20654	3.4
261.16394	3.9
263.17938	4.1
264.18793	2.0
265.19550	5.2
267.21024	2.3
271.20493	1.6
275.18146	3.8
277.19586	3.7
279.20996	2.7
281.18954	2.0
282.19867	1.6
283.20560	4.2
284.21335	2.1
285.22162	3.4
289.19571	3.1
291.21170	1.6
297.22165	3.7
305.22598	2.1
309.22308	1.8
320.24960	2.9
323.23633	6.4
337.25259	3.8
338.26041	54.4
349.25641	2.0
351.26849	3.2
392.30753	1.5
430.32376	16.1
458.35321	1.7
476.36545	22.1
489.37216	2.5
568.42792	46.5
568.56696	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	569.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03857	1.7
53.03946	10.5
55.01875	9.6
55.05508	5.4
57.03429	5.6
57.07097	2.2
61.02923	5.2
64.12374	1.7
67.05498	6.2
68.99791	4.4
69.03429	40.2
69.07057	10.1
71.04997	12.8
71.52668	2.6
73.02905	9.3
73.58517	1.8
75.94877	1.9
77.99042	1.5
79.05483	7.9
81.03417	45.8
81.07053	10.7
83.08617	7.7
85.02908	61.3
85.06537	1.9
87.00829	25.1
91.03971	2.2
91.05480	13.8
93.07035	17.8
95.04974	8.9
95.08610	14.1
97.02893	24.9
97.06519	3.4
99.04472	14.5
105.01854	17.8
105.07023	14.6
107.08612	27.2
109.02885	36.8
109.06500	5.2
109.10140	10.9
111.08122	1.9
117.01853	4.8
117.07024	5.6
119.08589	15.7
121.06507	5.4
121.10151	11.2
123.04478	2.9
123.08071	5.1
123.11707	10.5
127.03912	47.8
129.01826	3.1
129.07001	6.6
130.07828	1.9
131.08568	15.0
133.06529	3.5
133.10144	11.9
135.08038	3.6
135.11685	39.2
137.09662	3.1
142.07774	5.0
143.08519	15.2
145.04977	20.9
145.10155	13.9
147.02878	3.4
147.08026	9.6
147.11674	5.8
149.09624	7.9
155.08583	6.6
157.10126	22.1
158.94667	1.8
159.02892	20.3
159.11688	11.0
161.09657	2.5
161.13264	6.4
163.11215	5.0
167.10654	2.7
169.10118	3.4
169.12199	2.5
171.11752	10.6
171.12938	2.1
173.13283	15.1
175.11200	2.8
175.14809	3.7
179.10568	2.3
181.12212	3.7
185.13350	4.2
187.14813	8.8
189.12827	2.4
189.16408	4.5
197.13319	6.5
199.14816	83.3
203.14258	5.7
211.14836	5.7
213.03885	3.5
213.16357	7.8
215.14278	8.4
215.17934	15.1
217.15874	100.0
225.16367	3.9
229.15923	5.0
231.05052	11.8
235.16859	4.8
249.06058	3.6
257.22763	5.5
259.16910	1.9
259.20596	3.2
267.21130	9.7
277.18015	3.5
285.22150	46.8
292.32306	1.9
303.23154	37.5
305.88687	2.0
321.24286	3.7
525.30487	8.8
551.28522	16.6
569.29468	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17104	0.5
53.03937	1.3
55.01865	1.0
57.03418	0.6
57.86077	0.5
61.02923	1.1
62.88800	0.5
65.03936	1.0
66.58869	0.5
67.05508	5.6
68.04095	0.6
69.03427	3.1
70.90421	1.3
71.01350	1.1
73.02874	0.6
79.05499	4.2
81.03415	2.5
81.07068	3.7
85.02911	12.8
90.55089	0.5
91.05488	15.2
93.03384	1.2
93.07056	5.7
95.04971	4.3
97.02906	4.9
99.04444	1.7
103.05466	2.2
109.02885	3.4
109.06525	4.4
119.04955	34.2
119.74361	0.5
121.06513	13.1
123.04472	3.4
127.03925	4.4
131.04993	0.8
137.05991	17.5
139.07565	0.8
141.05486	1.2
144.11224	0.6
145.04964	5.6
147.04424	30.8
149.05997	8.8
156.56604	0.6
160.15961	0.6
163.03925	1.0
163.06010	1.8
165.05490	32.2
165.35728	0.6
167.07092	6.7
175.03917	5.8
183.06546	20.4
193.04976	20.1
209.04495	0.7
211.06027	65.7
229.07088	100.0
337.09158	1.2
355.10245	3.7
373.11398	9.8
391.12997	0.7
493.01288	0.7
570.24115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00269	0.5
58.35519	0.6
67.05502	1.0
71.51722	0.6
73.86411	0.5
79.05493	1.9
81.07052	1.5
82.06572	1.2
84.08144	0.9
84.48640	0.6
85.02895	0.8
89.03920	2.5
91.05484	1.1
93.07059	3.1
94.06558	2.7
95.07328	2.4
95.08575	0.8
96.08128	8.5
103.05460	1.0
105.07043	1.0
106.06568	1.3
107.04918	0.6
108.08116	7.6
110.09681	8.0
116.04987	7.6
120.04514	1.1
120.08128	5.3
122.06022	4.9
122.73843	0.6
124.07592	22.3
134.06020	0.8
136.07584	10.8
137.05977	1.8
138.05434	1.1
138.09134	11.0
144.03403	1.2
144.04440	15.7
146.06013	1.9
148.07568	3.1
152.07063	7.9
154.08600	1.2
160.03940	2.2
162.05513	5.7
163.03929	0.7
164.07039	1.1
166.08649	17.0
167.07085	1.6
168.07402	0.8
172.03937	80.3
173.05672	0.6
174.05493	0.9
176.27573	0.7
180.06619	1.5
190.04994	29.2
198.07642	4.1
204.06560	100.0
212.09256	1.4
213.10020	0.7
214.10783	5.3
223.08661	1.0
223.12256	0.7
225.10179	1.4
236.09372	2.4
237.10236	1.5
238.08704	0.9
238.10991	1.4
249.10294	1.1
251.08128	2.4
251.11873	1.9
252.09041	1.5
253.09746	1.9
256.33926	0.7
264.08817	2.2
265.09714	4.7
266.07037	0.8
266.10373	1.1
267.07391	1.2
267.11343	1.1
269.12756	1.1
278.07004	1.1
279.08035	4.9
279.11279	4.6
280.08521	1.5
281.09274	1.0
283.10715	1.0
292.08386	2.8
293.09164	5.1
294.10022	1.8
295.10693	0.8
296.11365	1.1
297.09113	1.4
297.12305	11.6
299.10226	1.9
307.10803	2.5
309.12302	2.2
311.10400	1.0
313.11871	3.0
319.92554	0.9
320.07986	1.2
321.08817	1.0
323.10486	1.2
325.11835	55.3
326.12549	0.8
329.14856	1.0
333.65414	0.7
335.10202	2.2
338.08942	4.2
339.13663	0.9
341.11334	8.8
343.12997	4.9
353.11288	19.7
357.14484	9.6
373.13898	11.0
385.13947	6.4
462.20343	1.0
474.16681	1.5
478.20059	3.4
488.17804	0.8
506.19254	28.1
510.22684	0.7
520.20746	1.9
533.55078	0.7
538.21869	68.4
570.25104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
55.05502	0.1
65.03915	0.2
69.07087	0.2
69.27934	1.4
70.06590	0.1
79.05498	0.5
81.07067	0.2
91.05483	0.9
94.01964	0.1
94.04188	1.5
95.08595	0.1
97.02886	0.2
98.20705	0.3
101.03741	0.1
103.05460	0.4
105.07063	0.2
105.45467	0.1
107.04914	0.3
109.06471	0.2
119.04937	0.6
119.08559	0.2
121.06497	0.2
122.03645	3.9
129.06976	0.2
131.04961	0.7
137.05981	100.0
138.06393	0.3
139.11101	0.2
149.05989	0.3
151.07556	2.5
155.35243	0.1
157.51277	0.2
163.07536	1.8
175.07556	0.1
177.05501	0.2
177.09065	0.8
181.08606	4.7
237.11211	0.4
258.79672	0.1
291.10236	0.2
305.11780	0.7
323.12747	0.5
337.14322	0.3
355.15408	2.4
373.16431	1.6
431.56213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
57.06829	0.5
57.07078	6.1
58.06588	1.3
67.05489	0.5
69.07061	0.6
70.06596	14.4
71.08638	2.0
71.52680	0.8
72.08157	0.4
74.06086	0.5
81.07077	0.8
81.87817	0.4
85.10195	0.8
88.07635	19.3
91.05496	0.9
100.07603	0.5
102.09185	15.3
105.03391	13.7
106.88052	0.4
109.06475	0.4
112.48252	0.4
115.05835	0.4
121.10083	0.4
127.08713	0.5
131.04900	0.5
149.02370	8.8
149.05989	55.8
153.07025	0.5
181.06517	1.6
193.04980	9.6
194.81184	0.4
212.23711	0.7
219.06548	1.1
249.54117	0.4
256.26355	44.4
273.42429	0.4
297.07578	14.0
341.10205	51.4
342.49460	0.4
570.34235	100.0
571.34161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.2
53.51408	2.5
55.01636	4.1
55.01878	57.4
55.05504	2.5
57.03432	3.5
61.02919	8.4
61.40441	2.2
63.52249	2.4
67.05491	4.5
69.03433	46.6
71.05005	4.2
73.02926	5.8
75.65676	2.1
77.19180	2.2
78.69983	2.1
79.05518	5.1
81.03426	30.1
81.07062	2.6
83.04975	8.3
85.02911	64.3
86.03246	3.7
87.04443	4.1
91.03940	3.8
91.05502	19.5
92.05833	2.6
93.07043	8.5
94.87714	2.3
95.04958	9.1
97.02893	38.0
99.04446	9.4
101.36472	2.6
103.05461	7.9
105.07033	6.2
107.04968	22.5
109.02888	93.2
109.06519	4.1
111.04465	2.7
115.05509	5.9
117.07023	6.6
119.04950	23.0
119.08627	2.6
120.05275	9.4
121.06509	44.8
122.06831	2.8
122.14317	2.1
123.04421	3.6
127.03934	40.2
129.07001	4.1
131.04930	10.3
131.08533	2.4
133.06456	22.5
135.04417	2.5
135.08090	2.8
136.07576	7.1
137.06010	20.6
138.06302	6.3
139.03923	8.7
141.06999	5.4
143.08560	2.6
144.05693	5.7
145.04956	13.5
145.06497	35.6
146.05237	2.8
147.04430	23.1
147.08052	10.7
148.04747	8.0
148.07588	4.2
149.06001	17.8
151.03893	4.8
153.07045	6.1
154.07716	2.3
155.05995	4.6
155.08577	4.9
157.06491	25.5
159.04449	3.0
159.08040	15.6
161.05980	9.4
163.06212	4.3
163.07480	17.5
163.08736	14.3
164.07086	100.0
165.05479	16.3
165.07002	11.0
166.05864	8.1
167.07051	6.9
167.08533	3.2
168.07448	3.1
169.06497	9.0
170.07341	2.6
171.08051	10.3
173.05978	20.5
173.09569	2.6
175.03851	2.6
175.07573	11.6
178.07764	3.8
179.08560	18.2
181.04947	13.3
181.06490	11.9
181.09715	11.7
182.07246	5.1
183.06529	7.2
183.08072	21.9
184.06888	7.7
185.05865	2.9
187.07559	6.6
189.05489	9.3
189.06992	2.9
193.04985	8.0
194.05389	5.5
194.07237	5.1
195.08046	3.8
197.05965	4.6
197.09618	14.7
199.05946	4.3
199.07593	5.5
201.09132	7.8
207.08058	12.3
209.09735	2.2
210.06725	5.2
211.06003	24.9
211.07620	5.3
212.06401	20.3
213.09042	3.5
217.07071	24.1
219.08060	5.7
221.09569	3.3
225.09158	19.1
229.06662	32.1
229.08691	24.1
229.44568	2.8
230.07401	35.5
231.08063	5.3
233.09514	2.9
234.10452	3.8
235.07596	6.5
241.09911	4.0
243.10152	11.7
245.09612	3.8
247.07483	4.2
248.08186	2.9
249.09157	4.6
249.12619	2.9
253.08559	12.9
255.10164	14.7
257.09735	6.2
258.10406	3.2
259.11139	9.2
261.08997	3.1
271.09671	7.4
275.10672	3.8
277.09119	4.0
277.12119	24.3
285.09097	5.2
286.09930	3.2
290.77884	2.7
291.13831	5.4
298.10074	2.8
299.10699	3.6
301.12256	7.1
303.13718	3.4
317.11624	3.8
319.13388	21.9
321.14789	2.9
327.13760	3.0
331.13220	6.6
337.14444	42.2
345.14886	6.4
349.14346	4.3
355.13156	7.8
356.10376	5.6
363.15802	3.1
373.14597	17.7
374.11584	9.0
391.15375	45.9
409.16208	29.7
553.20618	22.6
571.21332	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	571.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.5
55.01862	5.0
55.05512	7.2
61.43625	2.1
62.74257	2.2
65.03910	2.2
65.41398	2.4
67.05504	24.5
69.03449	13.2
69.07070	18.4
71.04999	12.3
73.02905	2.9
73.06529	2.8
79.05497	25.7
81.03439	12.6
81.07066	44.3
83.04987	49.0
85.02905	6.5
85.06548	12.6
91.05488	20.3
93.07065	25.2
94.48513	2.6
95.04983	55.8
95.08603	9.4
97.02879	7.9
97.06534	41.3
99.04461	16.1
105.07043	61.6
107.04957	9.1
107.08605	15.0
109.02904	6.3
109.06520	43.4
111.04453	4.6
111.08064	4.0
113.06071	3.5
115.05441	3.3
117.07033	10.7
119.04946	7.4
119.08590	20.6
121.06516	26.4
121.10132	11.6
123.04446	10.1
123.08085	6.3
125.06007	62.3
127.03889	6.2
127.07568	17.1
129.06973	5.7
130.07800	9.3
131.04889	3.0
131.08571	24.8
133.06520	12.3
133.10152	6.7
135.04408	5.3
135.08035	11.3
135.11696	7.3
137.05992	36.8
139.07507	3.1
141.05382	2.9
141.07027	5.8
141.08977	2.7
143.07056	39.4
143.08589	10.9
144.09338	5.5
145.05017	2.4
145.06499	10.3
145.10138	100.0
146.45335	2.5
147.08064	8.0
147.11687	7.1
149.05966	3.8
149.09610	4.8
151.07600	14.3
153.05505	7.4
154.07721	5.5
155.07115	4.2
155.08556	5.7
157.08672	3.0
157.10126	6.8
158.07295	7.8
159.08057	7.3
159.11691	34.5
161.09608	6.2
161.13289	3.4
163.07571	3.9
163.11188	42.4
169.10109	14.2
171.08049	4.2
172.08919	2.8
173.09622	54.4
175.07603	5.2
177.12737	12.6
181.12206	2.7
185.09615	3.0
187.11198	67.6
188.25809	2.2
189.09038	3.6
189.12726	3.2
191.10692	40.0
197.09651	8.2
199.07433	2.6
203.10674	3.6
205.12257	65.4
209.11745	47.6
215.10690	62.2
223.13380	6.6
225.84125	2.5
227.10783	2.9
229.12349	5.8
233.11746	59.2
239.10786	4.0
247.13345	6.5
249.11246	2.3
251.12808	91.8
255.12291	4.0
257.11737	16.7
267.12152	5.5
269.13855	26.9
275.12747	11.6
289.14471	2.6
293.13892	5.3
329.14056	2.6
335.15012	2.4
341.13803	4.8
359.14886	8.3
377.16055	39.4
395.17099	37.6
413.18137	41.4
422.35910	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	571.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01868	7.0
55.05502	5.9
57.79229	4.0
67.05498	15.3
69.03417	11.8
69.07077	26.8
69.78864	17.9
69.79217	6.8
71.04993	8.5
79.05506	28.4
81.03424	7.0
81.07057	26.6
83.04991	49.8
85.02882	4.9
85.06543	6.8
91.05492	17.0
91.46127	3.3
93.07043	36.7
95.04978	26.3
95.08591	5.7
97.02900	4.5
97.06542	49.7
98.21571	3.7
99.04445	16.2
99.55627	4.0
103.05457	4.6
105.07042	64.5
107.04936	6.1
107.08583	27.1
109.02885	5.1
109.06517	33.2
117.07038	17.7
119.04939	10.7
119.08567	17.4
121.06512	35.6
121.10114	6.7
123.04427	4.1
125.05997	75.9
127.03896	7.9
127.07555	10.5
129.06976	8.7
130.07767	7.1
131.08588	24.3
133.06503	10.2
133.10158	5.7
135.08046	7.0
135.11734	4.8
137.05998	22.2
139.07527	10.6
140.05121	3.4
143.07037	45.3
143.08574	12.6
144.09386	5.7
145.06439	10.3
145.09064	6.8
145.10138	100.0
147.08078	8.3
147.11752	5.6
151.07555	12.9
154.07787	4.5
157.08601	11.5
158.07280	7.8
158.78284	3.5
159.08084	6.6
159.11699	46.7
161.13246	4.7
163.07568	11.5
163.11191	36.2
169.10178	18.0
173.09639	63.0
175.07553	4.5
175.10844	3.3
177.12796	17.6
179.08488	5.7
181.08725	3.8
187.11189	81.0
191.10674	25.8
197.09627	13.3
205.10443	6.8
205.12244	76.7
209.11742	22.9
215.10684	90.3
223.13290	16.4
233.11739	84.1
251.12798	66.5
253.15369	4.1
269.13828	32.1
271.04831	3.7
318.55286	3.7
359.14917	7.9
377.15955	16.4
383.96335	3.5
395.16983	15.8
413.18210	24.7
441.04828	4.9
469.27368	3.7
571.26929	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	572.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23544	0.5
65.03936	1.2
66.04737	0.5
66.87930	0.6
67.05502	0.7
70.70775	1.6
71.05024	0.6
79.05498	1.4
80.67429	0.5
81.03432	0.7
81.07073	1.5
84.12882	0.5
85.06535	0.6
85.46384	0.7
91.05486	5.0
93.03427	0.7
93.07033	0.9
94.04186	2.8
95.04990	0.8
95.08603	0.9
103.05460	4.7
105.07040	3.5
107.04974	1.5
107.08580	0.7
109.06506	1.4
111.04466	0.6
115.05465	1.4
117.07041	0.6
119.04956	3.6
121.06521	2.5
121.10104	0.9
122.03665	6.5
122.79517	0.5
123.04401	0.7
125.06013	1.1
129.07007	1.0
130.04137	0.7
131.04941	11.9
133.02846	2.8
133.06468	2.2
135.04424	1.3
135.08069	0.7
137.05983	100.0
142.76598	0.6
144.05727	0.6
145.06502	0.7
146.03596	0.8
147.04434	3.8
149.05991	2.8
150.06778	1.3
151.03882	1.6
151.07526	4.0
153.05460	2.2
159.04475	0.7
159.08052	3.5
160.05168	1.5
161.05991	24.3
162.06783	3.1
163.03961	1.2
163.07549	6.3
165.05605	1.1
165.06975	0.9
174.06787	1.0
175.07558	10.4
177.05495	0.9
179.07115	1.5
181.06400	0.6
182.07245	0.8
185.06007	0.7
187.05916	0.9
187.07550	15.6
189.05524	1.1
189.09114	1.6
193.06528	0.9
195.08141	1.2
199.07533	1.0
201.09114	1.7
203.06966	0.9
210.06845	1.0
213.09117	1.5
215.07077	0.7
219.08017	1.4
219.09972	0.6
221.05956	2.2
222.06892	0.7
222.32401	0.6
224.08424	0.6
225.09123	2.3
227.10739	0.8
229.08621	2.1
232.21353	0.6
233.08083	1.3
234.06432	0.7
239.10725	0.6
241.08542	0.8
247.07706	0.7
247.09729	5.3
251.10760	0.9
253.08658	2.9
255.10286	0.9
259.09744	0.8
261.08865	0.7
267.10229	1.8
268.07477	0.6
273.09222	0.6
279.10229	1.0
285.11258	10.1
287.10306	0.8
287.13052	1.1
297.11349	4.0
301.08649	0.8
305.11639	0.7
311.12595	1.1
315.10242	2.6
325.10773	2.1
329.11673	0.8
333.11215	0.8
337.14447	3.0
340.56897	0.6
347.12946	3.0
350.49509	0.6
355.15433	4.1
365.13867	23.3
383.14896	42.0
384.05743	0.7
395.15042	1.9
434.80887	0.7
489.19061	4.8
501.18024	0.6
507.20242	10.5
519.20551	1.4
599.99512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55801	0.5
62.25219	0.7
62.45968	0.6
69.03419	1.1
70.69505	0.6
71.51338	0.6
75.73122	0.6
79.05502	2.2
79.33656	0.6
81.03420	0.9
81.07055	0.9
82.21218	0.6
82.61311	0.6
85.02893	2.8
89.75389	0.6
91.05492	1.9
93.07057	1.0
94.04198	2.0
95.08623	0.8
96.50984	0.6
97.02905	1.2
98.05698	0.6
98.93567	0.5
103.05461	6.4
105.07041	3.2
107.04980	5.7
109.06557	0.7
115.05482	1.4
117.07029	1.5
119.04983	0.6
121.06496	2.1
122.03653	5.4
123.04424	2.5
123.08080	1.7
124.05248	1.0
125.05983	0.6
127.03915	1.0
128.06236	1.2
129.06993	1.2
131.04939	11.6
131.08556	0.9
133.06505	4.6
135.08041	4.0
135.11728	0.6
135.77046	0.6
137.05989	100.0
141.06963	0.6
143.04930	1.0
143.08580	1.1
145.04886	0.5
145.06514	2.3
147.08069	1.6
149.06058	0.8
151.03993	0.9
151.07555	8.7
151.19469	0.6
152.04710	1.2
153.05498	0.8
155.10641	0.9
157.06499	0.9
158.07338	1.0
160.05231	1.4
161.05966	3.0
163.07550	35.6
165.09161	1.1
167.07050	56.3
171.08107	1.5
173.09634	0.8
174.06831	1.8
175.07544	7.1
177.09096	1.7
179.07030	3.4
180.08739	0.8
181.08650	1.1
187.07524	2.8
188.08371	1.2
189.09117	2.2
193.08669	4.4
195.13818	0.8
201.09131	1.3
203.10654	4.7
205.10191	0.8
207.10298	0.9
219.10164	2.4
221.11754	1.0
231.16061	0.9
233.09631	1.2
233.11807	2.1
251.12871	1.2
261.09076	1.3
293.11783	2.6
325.14392	14.2
342.14432	0.7
357.16949	32.1
358.17264	0.7
375.18079	26.0
555.71613	0.7
573.82166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38201	3.2
55.01867	6.2
55.05318	2.7
55.05520	31.9
57.03426	10.6
57.07082	17.2
65.44226	3.0
66.18769	2.7
66.77328	3.3
67.05515	22.0
69.07078	38.9
69.47889	22.8
71.08617	6.1
79.05516	23.1
81.03426	16.1
81.07069	17.6
82.25410	3.2
83.01360	3.9
83.04990	16.8
83.08630	31.7
85.02895	6.5
85.10178	5.0
91.05486	10.9
93.07047	29.1
95.04931	7.5
95.08599	17.6
97.02917	7.6
97.06524	5.4
97.10183	19.7
97.10707	2.8
98.20766	5.6
103.82451	3.4
105.07044	6.6
107.04952	10.9
107.08592	17.3
109.06538	4.4
109.10136	11.3
111.04468	4.2
117.07020	7.9
119.08613	8.3
121.10163	9.0
123.08067	5.0
123.36885	3.1
125.09618	4.6
131.08588	5.5
135.11736	15.8
145.10156	15.5
153.12737	10.6
163.11189	29.9
181.12128	4.4
191.10683	9.0
209.11757	26.5
227.12766	10.2
265.14441	7.4
283.15448	22.2
301.16470	63.0
311.25812	100.0
313.08429	3.7
356.30859	3.0
501.35709	9.8
519.36749	32.2
537.30499	6.0
537.37976	83.5
546.07269	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.4
55.05272	1.7
55.05514	22.4
55.42946	1.2
57.03427	5.2
57.07079	11.0
59.05001	1.4
67.05508	35.1
67.21020	1.1
69.07075	26.9
69.90147	1.1
71.05000	17.3
71.08637	7.8
73.44930	1.0
79.05498	11.1
80.40266	1.2
81.03416	1.4
81.07060	62.3
83.04954	2.1
83.08163	1.8
83.08626	25.8
85.06532	5.6
85.10198	2.6
91.05478	12.2
93.07067	7.8
95.08615	7.6
97.06525	3.9
97.10169	17.9
101.49708	1.2
105.07014	6.4
107.08591	6.8
109.06504	1.3
109.10175	6.9
110.29426	1.2
111.08108	1.1
111.11700	4.1
117.06970	2.4
119.80119	1.1
121.10137	3.6
123.11716	9.5
126.50531	1.1
131.08563	3.4
133.10136	11.9
135.11687	3.4
149.13225	2.8
151.11163	6.0
159.11681	2.5
183.13792	2.0
185.10400	1.1
187.13281	5.7
201.14897	1.8
269.17532	3.0
301.20078	18.2
311.25842	36.2
343.62231	1.3
375.60910	1.4
479.37332	100.0
480.37900	1.5
493.38803	4.2
505.38947	6.0
509.93469	1.3
537.41486	52.7
566.91052	2.0
572.47577	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	574.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.05516	1.6
57.03429	3.5
59.24229	1.0
67.05504	2.7
69.03440	14.5
71.53114	1.3
73.02925	1.2
75.04475	4.0
79.05502	17.6
81.03427	11.5
81.07054	4.3
85.02906	7.4
91.05489	16.0
93.07050	81.9
95.04956	3.2
95.08622	2.5
95.56297	1.1
97.02886	10.2
99.04453	3.2
105.04535	1.1
105.07037	9.4
106.07782	1.1
107.04763	1.0
107.08606	17.3
109.02859	6.7
111.04455	1.5
111.08109	3.9
119.04931	2.8
119.08602	11.1
121.06498	3.8
121.10152	100.0
123.08063	1.8
127.03900	5.0
129.05464	1.2
131.08580	7.2
133.07666	1.2
139.11188	5.4
145.04988	3.0
147.04401	3.6
149.05943	1.2
149.09631	41.3
163.03922	10.7
164.04321	1.3
165.05377	2.6
167.10678	23.3
187.13666	1.3
193.05014	2.5
211.06105	3.1
229.07207	1.2
283.15430	1.4
293.13843	15.7
297.99075	1.1
311.14914	31.8
325.09140	1.2
359.14755	1.4
503.19217	1.5
521.20203	2.6
574.19635	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55484	1.3
55.01885	1.6
55.05508	4.6
57.03445	4.1
57.07079	37.5
57.59601	1.5
58.83979	1.1
65.03969	1.4
65.34903	1.1
67.05510	11.5
68.19274	1.3
69.07064	7.4
70.70364	1.4
71.08638	29.2
71.52885	2.1
75.04492	1.6
79.05499	2.2
81.07056	14.8
83.08627	10.6
85.10185	19.1
87.04473	41.4
89.06022	1.6
92.74046	1.4
93.07040	2.8
94.46304	1.3
95.08618	21.8
97.10170	6.6
97.85474	1.2
105.07033	1.6
109.02863	1.8
109.10163	11.5
110.03667	1.7
123.11706	3.9
125.13342	2.1
137.13252	1.9
153.89764	1.3
165.83614	1.4
180.38551	1.5
185.86337	1.2
239.23695	27.6
257.24750	5.5
313.27377	100.0
331.28433	20.2
331.53104	1.4
361.59164	1.4
538.06616	1.6
539.28735	3.7
574.39917	7.0
574.48108	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	574.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08967	0.8
53.03948	0.9
53.66235	0.8
55.05518	8.5
57.03439	4.1
57.07081	27.5
67.05511	39.0
69.07069	8.9
71.04998	17.7
71.08635	21.9
79.05498	9.0
81.07061	61.3
83.04991	1.9
83.08632	11.1
85.06546	5.1
85.10187	11.8
87.04464	3.0
89.05999	0.8
91.05484	12.5
93.07042	8.2
95.04967	1.6
95.08609	19.0
97.06523	1.9
97.10177	4.2
99.08083	1.2
99.11751	0.9
105.07050	6.5
107.08610	6.0
109.06503	1.3
109.10166	12.0
111.08089	0.9
111.11720	0.7
117.07021	1.3
121.10128	3.3
123.11713	11.7
131.08586	2.1
133.10141	10.7
135.11676	1.5
149.13286	1.8
151.11194	5.1
157.72237	0.7
159.11731	1.8
166.21342	0.7
169.12289	1.0
177.12761	1.8
183.13840	2.7
187.13322	3.3
195.13791	1.4
201.14917	0.9
239.23755	1.9
239.49347	0.8
257.17569	1.8
269.17490	6.1
283.26355	0.8
301.20129	22.1
305.06567	0.7
313.27380	29.9
468.12872	0.8
481.38916	100.0
482.39523	1.6
495.40283	3.7
507.40369	5.3
539.43085	55.8
574.49329	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
57.03422	0.5
65.41556	0.4
67.05514	0.5
69.03412	1.6
70.06593	0.6
70.60300	0.6
70.60629	0.9
71.04979	0.7
72.08169	0.5
81.03429	1.1
81.07046	1.6
81.40436	0.4
82.93011	0.4
85.02895	1.7
85.06522	0.7
89.03909	4.4
91.05492	0.7
93.07076	0.6
95.08594	0.5
97.02900	3.1
97.06554	0.4
99.04469	0.5
107.04948	1.4
109.02878	0.4
109.10178	0.9
116.07035	0.5
117.03381	6.4
127.03889	1.2
135.04422	13.6
137.05965	1.3
145.02856	9.4
155.03944	0.4
157.10425	0.3
163.03908	100.0
167.07039	0.6
181.04959	1.5
186.93925	0.4
191.07068	1.1
215.10715	0.4
233.11752	1.3
307.08044	0.7
325.09195	10.6
353.13998	0.5
370.18927	0.4
533.84375	0.4
594.46124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
57.03422	0.5
65.41556	0.4
67.05514	0.5
69.03412	1.6
70.06593	0.6
70.60300	0.6
70.60629	0.9
71.04979	0.7
72.08169	0.5
81.03429	1.1
81.07046	1.6
81.40436	0.4
82.93011	0.4
85.02895	1.7
85.06522	0.7
89.03909	4.4
91.05492	0.7
93.07076	0.6
95.08594	0.5
97.02900	3.1
97.06554	0.4
99.04469	0.5
107.04948	1.4
109.02878	0.4
109.10178	0.9
116.07035	0.5
117.03381	6.4
127.03889	1.2
135.04422	13.6
137.05965	1.3
145.02856	9.4
155.03944	0.4
157.10425	0.3
163.03908	100.0
167.07039	0.6
181.04959	1.5
186.93925	0.4
191.07068	1.1
215.10715	0.4
233.11752	1.3
307.08044	0.7
325.09195	10.6
353.13998	0.5
370.18927	0.4
533.84375	0.4
594.46124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2126
Annotation	15-O-[6'-(p-hydroxyphenylacetyl)]-beta-D-glucopyranosylurospermal A
Peak:m/z	Relative Intensity
53.03934	0.4
55.05512	0.5
57.03434	0.5
61.02905	0.3
62.43647	0.2
67.05495	0.7
69.03429	2.1
69.07069	0.6
70.39444	0.9
71.04986	0.5
79.05479	1.1
79.16273	0.3
81.03426	1.4
81.07055	2.6
83.08611	0.3
85.02894	2.1
85.06574	0.6
89.03912	4.2
89.06034	0.2
91.05483	0.7
93.07037	0.7
95.08618	1.7
97.02901	3.9
97.06533	0.4
99.04448	0.7
105.07033	0.5
107.04974	1.7
107.08583	0.9
108.02203	0.2
109.02876	0.6
109.10106	0.7
111.08089	0.3
117.03382	4.9
119.08587	0.4
121.10160	0.7
123.11707	0.9
127.03910	1.0
131.08600	0.4
133.10110	0.3
135.04416	11.8
135.11710	0.4
137.06001	1.5
137.13237	0.3
139.11276	0.3
141.07040	0.3
143.08617	0.3
145.02853	10.1
145.04005	0.5
145.10088	0.4
149.02324	0.4
149.13356	0.3
159.11732	0.3
163.03903	100.0
164.04327	0.7
165.12787	0.3
181.04932	1.9
197.40773	0.3
215.10634	0.4
233.11711	1.1
291.26822	0.7
307.08167	1.1
314.09787	0.3
325.09183	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	575.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16913	3.6
53.03937	10.0
55.01875	6.6
55.05500	8.7
57.03424	8.6
61.02911	5.2
67.05510	33.9
69.03423	34.7
69.07063	20.6
69.21547	31.4
71.04985	15.7
73.02930	6.1
79.05501	31.0
81.03423	19.4
81.07064	40.4
83.04979	66.9
85.02907	47.5
85.06526	15.8
91.05486	27.8
93.07053	37.0
95.04968	62.3
95.08620	7.8
97.02917	19.4
97.05994	4.9
97.06535	48.3
99.04459	21.1
103.05479	4.8
105.07035	72.5
106.86057	4.0
107.04934	11.9
107.08601	22.9
109.02861	12.0
109.06512	44.2
109.10166	4.3
111.04427	6.6
115.05430	5.2
115.87167	3.3
117.07013	10.9
119.04956	5.8
119.08611	18.2
121.06507	38.3
121.10134	10.4
123.04420	13.4
123.08057	8.1
125.05994	83.5
127.03902	14.0
127.07566	10.7
128.06194	4.9
129.07048	6.3
130.07790	7.9
131.08575	31.8
133.06465	17.7
133.10159	10.0
135.04384	7.1
135.08035	16.8
137.05983	37.9
139.07568	4.1
141.06966	4.8
143.07033	57.0
143.08556	10.1
145.04970	6.9
145.06444	13.5
145.10124	100.0
147.08044	9.8
147.11674	9.3
149.09642	6.6
151.07539	15.6
153.05458	6.5
154.07747	4.8
155.08568	7.5
157.10141	10.3
158.07278	9.9
159.08044	16.6
159.11667	39.6
161.09564	4.7
163.03915	9.2
163.07581	5.5
163.11165	29.2
169.10150	15.5
172.08775	4.3
173.09615	64.2
175.07510	5.0
177.12744	13.2
187.07529	6.5
187.11163	86.7
189.09064	5.3
191.10675	45.6
197.08049	5.4
197.09607	8.2
205.12267	67.2
209.11714	47.1
213.09001	3.8
215.10692	82.6
217.12241	4.1
221.11678	6.8
223.13313	4.9
229.12189	4.8
233.11771	74.9
247.13374	7.0
251.12773	71.4
257.11725	12.7
259.54800	3.6
269.13815	18.0
273.11383	4.2
275.12842	9.5
293.13821	6.9
311.15265	4.4
335.15009	4.1
341.13654	7.5
359.14783	10.1
377.16055	28.8
395.17093	31.4
413.18097	45.5
575.22845	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	575.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72183	0.4
50.85074	0.4
51.17336	0.4
53.03944	0.6
55.01877	0.4
55.05507	3.8
57.07090	2.3
63.95137	0.4
65.03968	0.4
67.05515	3.5
69.03432	2.6
69.07074	1.5
69.51900	0.4
70.06601	0.5
71.05003	2.8
71.51626	0.6
79.05501	2.0
81.03426	2.4
81.07070	1.7
83.04987	5.4
85.02922	1.1
85.06549	100.0
91.05488	2.6
93.07049	4.2
95.04967	0.7
95.08629	2.2
97.02898	2.8
97.06535	7.1
99.04475	0.7
103.05460	0.5
103.07574	3.9
105.07043	1.1
107.08590	1.0
109.02899	3.4
109.06521	0.6
109.10169	4.9
109.35567	0.4
111.04465	0.4
113.06007	0.8
119.04977	1.9
121.06549	1.9
121.10149	4.4
123.08064	2.5
127.03916	4.5
127.92767	0.4
131.08615	1.1
137.05997	1.0
137.09642	0.9
139.11197	12.1
143.07008	0.4
145.04947	0.8
147.04417	1.8
149.09644	4.6
155.10687	1.0
163.03923	1.1
165.05489	1.3
167.10690	42.1
175.03989	0.5
185.11700	0.5
191.03511	0.5
193.04984	1.5
196.74202	0.4
203.12738	2.6
209.04482	2.7
211.05994	2.2
216.91255	0.4
227.09264	0.6
245.10260	1.0
245.13892	0.4
263.13177	0.4
279.02905	0.4
293.14026	0.9
299.01959	0.4
311.14960	4.5
324.74551	0.4
329.15918	3.6
347.17035	4.7
359.15015	0.7
377.16010	2.5
426.27200	0.4
472.16678	0.4
503.18982	0.5
521.20233	1.1
539.21033	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.01858	6.9
55.05493	7.9
57.03418	5.9
59.14363	1.9
61.02911	5.7
65.03918	5.9
67.05502	30.9
69.03091	3.3
69.03429	38.3
69.07065	25.3
70.06565	2.4
70.80199	2.2
71.05001	14.6
71.52903	2.5
71.53326	2.2
73.02908	2.2
77.03863	2.0
79.05493	35.9
81.03411	23.4
81.06595	2.8
81.07056	40.7
83.04987	49.2
85.02909	44.8
85.06535	12.4
87.04491	3.2
91.05475	26.9
93.07045	33.0
95.04968	56.3
95.08595	9.4
97.02892	20.6
97.06530	51.9
99.04457	20.2
103.05471	3.7
105.07032	82.3
107.04954	11.1
107.08601	27.8
109.02879	11.0
109.06511	40.0
109.10107	3.0
111.04430	10.6
111.08081	6.8
113.05975	3.9
115.05476	3.0
117.07018	14.7
119.04900	8.0
119.08583	22.7
121.06507	38.8
121.10152	11.2
121.48730	2.2
123.04433	11.9
123.08049	3.9
125.05994	82.8
127.03931	18.1
127.07553	14.3
128.06215	5.2
129.06975	8.0
130.07793	5.8
131.04955	3.1
131.08572	26.1
133.06494	16.2
133.07411	2.7
133.10106	11.6
135.04414	6.2
135.08047	14.7
135.11667	6.7
137.05975	34.5
139.07599	4.4
141.05392	2.8
141.06972	4.0
142.07782	5.5
143.07021	55.8
143.08524	17.7
144.09328	5.8
145.04959	3.4
145.06464	12.9
145.10124	100.0
147.04370	2.8
147.08012	9.7
147.11665	6.4
149.05995	4.4
149.09579	5.7
151.07535	17.4
152.30798	2.1
153.05470	6.2
154.07761	7.4
155.07228	2.9
155.08536	9.9
156.09351	2.6
157.06412	3.2
157.08748	2.1
157.10085	8.2
158.07222	10.5
159.08081	17.1
159.11696	35.6
161.09581	10.0
161.13188	2.4
163.03889	7.9
163.07559	4.9
163.11189	33.0
167.08536	2.5
169.06544	2.5
169.08836	3.5
169.10123	14.9
171.08061	4.9
171.11696	3.9
172.08862	4.8
173.06166	2.2
173.09622	69.4
175.07523	7.4
175.11130	4.1
177.09119	4.8
177.12784	12.9
179.08551	3.6
181.12170	2.6
182.07227	3.6
183.08138	2.2
183.11673	3.1
185.09601	7.3
187.11179	79.0
188.49738	2.2
189.09090	5.1
189.12724	6.5
191.10664	45.8
197.09630	10.5
199.11266	4.8
201.09135	2.5
203.06937	2.1
203.10701	4.7
205.12234	60.6
207.13843	2.1
209.09769	4.4
209.11703	48.6
211.11139	3.8
213.09055	2.1
215.10663	69.5
217.12236	4.1
221.11749	6.1
223.13246	7.6
229.12186	6.4
231.10117	3.1
233.11719	67.2
239.10635	3.3
241.12404	2.9
247.13272	7.0
249.11209	2.2
251.12790	72.2
257.11713	11.8
265.14618	2.6
267.12531	2.4
269.13892	16.3
271.13132	2.5
273.11078	2.1
275.12787	11.1
288.16922	2.1
291.12357	3.2
293.13742	5.1
311.15002	3.8
317.13831	4.2
323.12738	2.4
331.15515	5.1
335.14685	3.1
341.13626	3.7
349.16495	3.6
359.14896	11.0
377.15967	23.1
395.16946	28.0
413.18103	39.6
575.22699	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	575.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	16.6
55.01875	7.9
55.05515	32.4
57.03445	7.9
57.07082	5.9
65.03947	6.7
67.05508	73.3
69.03428	31.5
69.07066	33.4
71.04983	17.6
71.52135	7.9
71.52517	8.6
73.02925	8.6
79.05138	6.5
79.05508	68.6
79.76722	4.8
81.03438	47.0
81.07059	82.2
83.04971	18.5
83.08625	18.7
85.02913	28.7
85.06553	8.8
91.05486	97.8
93.07040	77.0
95.04966	14.7
95.08616	56.1
97.02920	25.5
97.06538	10.8
97.10195	12.4
97.40755	5.0
99.54028	6.2
103.03982	6.0
105.07039	100.0
107.04940	5.2
107.08602	56.0
109.02851	14.1
109.06520	18.3
109.10186	30.6
111.04433	18.3
111.08099	7.5
117.07007	38.5
119.04973	7.4
119.08593	75.1
121.06504	14.1
121.10188	47.5
123.04460	7.0
123.08075	5.4
123.11681	7.8
125.09641	11.2
127.03911	14.4
128.06174	9.3
129.07025	26.4
131.04958	6.9
131.08594	58.2
133.06497	11.5
133.10141	49.0
135.11696	39.7
136.47400	5.0
137.06013	41.8
141.07001	11.4
142.07698	6.6
143.08566	35.8
144.09294	4.9
145.06511	10.8
145.10149	47.7
147.04451	6.4
147.08044	9.5
147.11702	42.9
149.06015	12.5
149.09641	10.3
149.13269	23.5
151.07593	10.4
155.08546	15.2
157.06522	7.0
157.10132	28.7
159.08081	14.9
159.11700	44.2
161.05936	8.3
161.09663	7.4
161.13263	27.4
163.03941	16.4
163.11255	11.1
163.13095	5.7
163.14923	6.7
165.05493	7.8
167.08572	12.6
169.10126	20.2
171.08061	15.9
171.11711	28.4
173.09624	13.2
173.13286	27.8
175.07457	5.5
175.11176	7.8
175.14830	14.3
177.09131	5.6
179.08748	6.3
181.10158	15.7
183.08041	9.0
183.11679	7.9
185.09654	10.2
185.13246	17.9
187.11093	7.7
187.14780	7.5
189.12772	9.8
193.10150	8.4
194.92178	6.4
195.11665	6.6
197.13286	13.0
199.14888	14.1
201.16313	7.1
203.10669	5.6
209.13176	7.3
211.11263	7.9
211.14906	9.6
213.12688	9.1
217.15788	7.6
223.14828	6.0
227.14349	6.4
237.16664	5.1
239.18066	5.9
239.95500	5.6
241.19582	15.3
245.08078	7.3
253.19489	6.3
257.19083	12.8
259.20709	30.2
261.22086	7.8
269.18988	7.8
271.20685	12.3
275.20166	17.6
277.21597	14.5
283.20642	5.6
289.21600	7.4
299.20145	5.9
301.21530	29.5
313.21622	9.5
325.21527	7.4
339.23267	15.8
367.22653	29.2
377.24417	15.5
385.23776	59.7
395.25882	23.9
403.24789	57.5
413.26926	9.5
421.25970	54.2
521.28949	18.6
539.30182	20.5
557.31238	13.2
575.22577	6.3
575.32300	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	575.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.2
53.36233	4.1
55.01876	10.0
55.05519	29.8
57.03433	11.9
57.27071	5.0
67.05177	7.0
67.05511	76.2
69.03435	39.7
69.07084	27.4
71.04985	7.6
71.40825	6.8
72.06535	4.1
79.05499	74.2
81.03427	40.3
81.07064	84.9
83.04981	11.5
83.08625	20.2
85.02905	29.1
91.05491	100.0
93.07056	80.7
95.04987	17.5
95.08607	55.9
97.02888	24.0
97.06523	13.3
97.10204	7.1
99.04464	13.0
103.03953	8.0
103.05514	13.3
105.07037	89.5
105.59274	4.6
107.04971	12.7
107.08598	51.2
109.02873	18.9
109.06539	18.2
109.10169	22.8
111.04462	14.5
115.05476	5.7
117.07034	32.2
119.08583	63.4
121.06521	16.5
121.10142	40.3
123.11712	11.6
125.06028	5.5
127.03946	23.8
128.06200	7.8
129.05548	9.7
129.07025	37.6
131.04909	5.5
131.08578	71.3
133.06508	16.0
133.10158	55.2
135.07988	7.5
135.11705	45.3
137.05975	55.8
141.07005	16.4
143.08582	31.2
145.06561	14.0
145.10165	51.5
147.04399	8.4
147.08069	7.7
147.11687	43.2
149.05974	14.0
149.13295	25.4
151.07571	13.1
155.08571	19.8
157.06564	9.6
157.10150	27.6
159.08070	13.0
159.11699	45.7
161.05986	13.9
161.09660	10.7
161.13304	26.5
163.03947	13.7
163.11232	5.6
163.14835	7.8
165.05522	22.3
165.06770	6.0
167.08594	13.2
169.10101	24.6
171.11697	24.8
173.06068	6.2
173.09578	7.5
173.13287	28.2
175.07587	9.1
175.14883	9.5
177.05675	5.2
179.08630	5.8
181.10130	13.3
183.08052	9.0
183.11667	23.1
185.09662	9.8
185.13269	26.6
187.07503	7.8
187.11259	5.4
187.14856	9.0
189.09145	5.7
195.11780	10.9
197.09697	9.6
197.13274	17.6
199.11357	5.8
199.14848	8.3
201.12747	7.6
203.07025	12.9
205.10220	7.8
209.09470	7.0
209.13254	8.4
211.11209	6.0
211.14775	10.8
213.09164	6.7
217.15833	9.4
225.12956	5.8
231.17490	9.5
239.17973	8.5
241.19603	14.9
243.06610	5.5
245.08061	9.5
257.18997	16.9
257.26605	5.7
259.20584	43.4
263.09271	9.3
265.19839	6.7
271.20685	13.6
273.22253	7.9
275.20142	19.5
277.21671	11.8
283.20483	5.2
285.22073	6.4
289.21631	7.0
301.21683	24.7
313.21579	7.6
319.22849	7.4
325.21661	9.4
349.21524	11.7
357.24258	5.7
367.22766	37.1
377.24811	16.8
385.23776	58.9
395.26157	30.4
403.24756	68.2
413.26315	7.1
421.25909	84.3
503.27798	11.6
521.28979	25.8
539.29901	17.4
557.31372	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	575.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	3.7
53.03938	7.3
54.54720	2.3
55.01876	31.3
55.05515	65.4
57.03437	16.1
57.07073	4.1
59.04992	4.9
63.45124	2.7
65.03945	4.7
67.05506	89.1
69.03429	11.8
69.07072	45.1
70.10386	2.9
70.10736	9.6
71.04990	7.3
73.06576	2.6
79.05498	87.3
81.03421	40.5
81.07057	100.0
83.01354	6.0
83.04984	24.8
83.08624	38.2
85.02905	10.1
85.06538	6.6
91.05486	84.2
93.07047	79.4
93.07636	3.9
95.01350	3.6
95.04977	31.5
95.08610	48.6
97.02885	8.4
97.06527	32.2
97.10175	36.3
102.00402	2.8
103.05479	4.1
105.04532	4.0
105.06322	3.7
105.07034	75.3
107.04961	30.6
107.08601	52.5
109.06524	18.2
109.10171	27.0
111.04419	7.0
111.08079	6.4
115.05461	5.5
117.07040	30.2
119.07727	2.9
119.08578	49.9
121.06484	13.1
121.10152	32.3
123.08086	20.7
123.11719	5.9
125.09625	24.7
128.06226	4.3
129.07008	15.7
131.08588	39.5
133.06528	5.0
133.10133	40.4
135.08055	11.8
135.11674	16.1
137.09619	7.2
141.06992	5.9
142.07825	4.2
143.08577	11.4
145.06509	4.4
145.10139	47.9
147.04468	3.0
147.08110	10.1
147.11697	25.0
149.09607	21.1
149.13269	6.8
151.11176	4.3
153.09111	4.5
153.12785	5.7
155.08594	7.8
157.10149	15.9
159.08075	3.8
159.11708	14.7
161.09641	6.9
161.13252	5.8
163.11188	37.2
165.09120	4.1
165.12791	6.8
169.10159	7.0
171.11690	7.1
173.09621	5.5
173.13266	5.8
175.11246	9.1
177.12820	4.2
181.10089	2.4
181.12263	6.7
183.11734	5.4
185.09645	3.3
187.11255	4.3
189.11244	16.0
193.12250	14.9
197.13213	3.2
199.11263	2.8
201.12727	3.0
205.12262	4.3
209.11778	6.7
211.13255	15.3
219.13885	4.6
223.13232	11.8
227.12762	38.1
229.19577	4.1
239.18063	4.0
245.19160	2.5
249.14781	3.3
251.20224	2.9
257.18924	12.5
259.20648	4.6
267.15930	22.8
271.16858	3.3
273.18454	21.7
275.20087	78.6
283.15366	53.6
285.17001	4.6
291.19562	66.1
293.21198	11.4
297.18604	3.2
313.21689	7.2
315.19766	3.2
331.22775	4.3
347.22208	3.5
349.23801	34.2
365.23273	6.0
379.21066	3.5
437.25616	3.7
447.28970	4.8
461.28754	3.0
462.29108	3.6
465.29974	5.0
477.28448	3.9
483.30826	4.3
529.35736	3.4
539.33557	11.9
557.34766	87.3
569.47675	2.8
575.15747	3.0
575.35815	88.6
575.50391	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	575.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.8
55.01870	10.9
55.05518	55.8
56.65559	3.3
57.03431	14.6
57.07063	10.0
67.05508	94.7
69.03429	5.9
69.07074	44.9
71.04670	4.2
71.04999	26.7
71.52408	6.2
73.78313	3.6
79.05495	74.9
81.03434	17.9
81.07059	100.0
83.04996	13.8
83.08626	35.7
85.02888	8.3
85.06527	14.0
91.05483	84.2
93.07045	83.4
95.04967	15.0
95.08613	69.5
97.02914	3.6
97.06545	14.9
97.10168	26.9
99.08111	8.0
105.04554	4.2
105.07029	66.8
107.04961	16.6
107.08600	45.5
109.06521	10.6
109.10157	28.4
111.04413	4.5
111.08103	12.5
111.11667	4.2
117.07028	28.9
119.08599	50.7
121.06493	10.4
121.10149	36.6
123.08060	10.4
125.09627	21.6
128.06273	6.8
129.07005	29.7
130.07809	5.7
131.08568	47.2
133.06531	8.3
133.10130	38.1
135.08092	8.8
135.11719	15.5
137.09595	6.1
141.06999	9.5
142.07758	5.4
143.08563	26.8
145.10139	40.2
147.08101	7.2
147.11697	15.3
149.09621	15.1
151.11217	7.9
155.08551	14.4
157.10118	28.2
159.08098	6.3
159.11728	26.4
161.09657	5.7
161.13268	10.7
163.11227	8.9
167.08583	6.9
169.10158	14.3
169.29337	3.9
171.11746	24.5
173.09644	5.8
173.13271	19.2
175.11211	12.3
175.14900	4.8
175.97940	3.7
177.12801	4.1
181.10164	8.2
183.11707	24.5
185.13290	15.6
187.11237	7.5
187.14844	3.9
189.11211	10.0
193.12283	10.9
195.11668	8.4
197.13341	10.1
199.11276	6.9
199.14899	7.5
199.61853	4.1
203.14536	4.7
209.13281	6.2
211.13260	9.7
211.15002	4.9
213.12747	4.5
213.16383	5.2
225.80449	4.6
227.12766	12.2
253.14288	5.9
257.19070	4.8
267.15958	6.5
273.18436	13.8
275.20114	8.0
283.20337	6.2
285.22113	7.1
291.19580	17.4
299.23663	11.6
321.22168	4.5
339.23407	5.4
347.22357	5.7
415.30045	5.8
421.25702	7.3
431.27728	4.5
433.31247	21.0
451.32190	16.9
469.33340	13.1
499.34125	4.4
507.35025	7.7
517.35284	22.5
525.35736	75.8
543.36853	76.6
557.39093	32.4
575.38416	46.8
575.49457	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	575.6126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36349	2.5
53.03930	2.7
55.05509	33.0
57.03428	5.7
57.07077	83.8
67.05505	54.7
68.05847	3.3
68.55362	2.1
69.07072	64.4
69.67294	3.6
69.67699	10.3
71.04984	10.6
71.08635	65.0
79.05494	13.4
79.90182	2.2
81.07059	100.0
82.07382	5.5
83.08167	3.3
83.08628	57.4
83.09120	3.6
85.06541	4.2
85.10183	36.1
87.04454	7.7
91.05466	7.4
93.07039	9.6
95.08612	94.0
96.08931	3.9
97.10172	54.0
99.11737	6.5
102.60712	2.4
105.07025	5.3
107.08590	6.8
109.10162	61.7
111.11714	35.9
121.10122	7.3
123.11710	32.9
125.13290	22.0
133.10115	5.3
135.11693	5.0
137.13268	12.9
139.14854	6.5
141.16312	2.6
149.13258	3.1
151.14839	9.6
153.16359	2.9
165.16403	10.1
178.39059	2.4
179.17937	4.0
202.98413	2.3
248.89687	2.6
301.20169	5.0
302.20389	4.1
313.27316	8.1
314.27725	9.3
361.38257	6.1
481.38818	8.0
482.39261	46.4
508.40750	2.9
540.43402	28.8
557.60254	23.0
571.36737	2.7
575.40570	7.1
575.49750	12.3
575.60901	11.1
583.37177	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	576.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62982	0.8
50.84057	0.9
53.03957	0.9
55.01882	1.8
55.05513	3.8
56.07891	0.7
57.03444	13.1
59.34475	0.9
61.02928	1.6
67.05508	1.8
69.03436	5.5
69.07079	5.2
69.48800	2.4
69.49217	3.6
71.01365	1.5
71.05000	72.2
73.02923	2.4
73.06564	2.2
74.09722	2.0
75.04491	3.8
78.53889	1.0
79.05498	2.4
80.42326	0.8
81.03415	3.1
81.07052	2.9
83.04990	10.8
85.02913	100.0
85.06557	1.4
87.04474	2.5
91.05492	3.0
93.07082	1.4
95.04967	1.9
95.08591	0.9
97.02885	4.3
97.06545	8.3
99.04467	3.3
100.11301	1.6
105.07043	1.8
107.04974	1.5
109.02905	2.0
109.10152	1.6
111.04460	6.1
117.03365	1.0
117.07020	0.8
118.03684	1.0
119.05000	1.1
119.08567	1.0
121.06477	1.2
123.04448	2.2
125.77768	0.9
127.03951	4.5
129.04529	1.8
129.05492	37.0
133.06534	2.0
135.04440	2.7
137.05981	13.5
145.02902	2.3
145.04982	1.5
146.08131	2.8
147.04456	2.7
147.06526	20.0
149.02341	9.0
149.06004	2.6
151.07512	1.2
153.05479	1.3
159.07945	1.0
163.03908	21.6
163.06021	1.3
164.04269	9.7
164.09213	8.9
165.05545	6.2
173.06042	1.7
177.05534	1.4
179.06966	1.1
181.05009	1.5
182.15483	0.9
182.41724	1.1
187.11205	1.0
189.09196	1.6
191.07042	19.5
215.10660	8.0
221.08134	3.7
225.11305	2.3
229.12292	1.5
233.11739	79.0
234.12181	1.3
245.11926	2.1
251.12791	4.9
255.08566	1.2
257.11755	13.2
263.12897	2.2
265.28772	1.0
273.09662	2.5
275.12790	9.8
293.13855	4.4
299.12692	2.4
309.11841	2.1
317.13831	2.5
325.09290	1.7
325.14359	3.4
326.09778	1.4
341.13544	1.0
343.15421	8.7
359.15036	2.2
361.16400	9.3
377.15891	2.4
379.17340	5.0
576.25629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.8
56.08451	0.6
56.67698	0.6
57.03444	5.1
65.03920	0.7
69.03404	0.9
70.06583	0.7
71.04999	21.3
71.51456	1.1
75.04469	2.0
81.03420	1.1
81.37209	0.7
83.04987	4.2
85.02910	30.5
87.04452	0.7
91.05484	8.8
95.04967	0.6
97.02876	1.3
103.03880	0.8
109.06496	1.2
111.04449	3.0
119.04948	6.4
125.83873	0.7
127.03908	1.0
129.05476	10.2
129.06995	1.2
131.08531	0.7
137.05986	100.0
141.07028	0.7
143.05081	0.7
143.08534	1.1
145.04971	0.9
147.04478	0.8
147.06540	6.6
149.06055	0.8
157.49393	0.7
161.06030	3.4
163.03915	1.2
164.07149	1.1
165.05510	0.9
168.05531	0.7
169.06502	0.7
169.10178	2.6
173.05977	0.9
174.06775	0.8
175.07501	0.9
186.06757	1.0
187.07573	1.3
187.11143	1.3
189.09099	4.1
191.06999	0.9
193.08684	3.2
197.09608	2.9
199.07579	3.7
201.09102	1.5
205.12262	1.3
207.10159	1.1
215.10667	14.6
231.10162	1.7
233.11746	19.9
243.10176	0.8
251.12741	8.7
288.22855	0.6
309.11929	1.5
343.15549	0.7
361.16412	0.9
364.43094	0.7
379.17480	3.2
454.09674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.05512	10.0
56.47646	1.5
57.07080	2.3
58.98972	1.7
59.20889	1.7
67.05511	13.5
69.07069	12.2
71.04983	1.7
71.52865	2.7
79.05489	11.2
81.03415	2.6
81.07067	20.3
83.04977	1.9
83.08617	7.9
86.48669	1.5
89.05965	1.6
91.05476	10.0
93.07051	22.4
94.07342	1.7
95.08607	26.2
97.06561	2.4
97.10166	4.2
98.81091	1.7
99.08071	2.0
105.07034	17.4
107.04912	1.5
107.08601	22.2
109.10166	14.5
111.08098	1.7
117.06999	4.0
119.07729	1.7
119.08584	28.2
120.08878	1.7
121.06489	1.8
121.10152	20.6
122.10472	1.8
123.08052	2.3
123.11714	6.4
129.06950	2.9
129.83708	1.6
131.08571	13.4
133.10144	25.5
135.08060	2.2
135.11682	9.9
137.13306	2.6
142.07764	1.8
143.08565	6.9
145.10109	29.5
147.08046	2.7
147.11684	15.9
149.09627	2.8
149.13286	5.6
155.08568	2.9
157.10138	19.8
159.11702	26.6
161.09592	2.9
161.13248	10.3
163.11134	2.3
163.14821	5.9
169.10153	2.9
171.11694	7.2
172.12370	1.6
173.13268	15.4
175.11183	3.4
175.14847	15.9
177.09149	2.3
177.16371	8.3
183.11635	4.6
184.12361	2.1
185.13239	7.8
187.14816	35.8
189.16406	29.4
191.14131	1.8
191.17978	4.3
193.15916	2.4
195.11580	1.8
197.13303	3.5
199.14827	15.6
201.14590	3.2
201.16391	38.0
203.17960	4.8
211.14877	1.8
213.16338	9.3
215.17917	7.0
217.15880	20.6
219.17474	3.8
223.14877	1.8
225.16344	4.1
227.12726	2.8
227.18005	4.3
229.15627	1.8
233.19019	11.2
237.16438	2.5
241.19547	3.7
247.16905	5.8
251.18042	3.7
253.19499	4.0
267.20935	2.3
277.17975	22.4
277.21075	2.7
293.22647	3.8
311.23724	5.5
319.24176	2.7
321.25754	4.4
327.23175	3.0
367.26407	3.0
389.32056	28.5
407.33151	45.9
435.32611	100.0
453.33688	49.4
467.35208	9.6
495.27615	3.0
495.34732	57.3
526.36053	5.2
544.37158	5.6
558.41077	5.0
576.40045	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	576.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.05511	8.5
57.03441	12.5
57.07081	26.5
65.03938	1.0
67.05510	15.4
69.07070	8.5
69.67261	5.2
71.04995	1.4
71.08637	19.5
79.05497	6.9
81.03423	59.2
81.07058	18.2
82.27676	1.0
83.04959	3.7
83.08627	17.4
85.10184	12.2
87.04443	1.5
89.06041	2.4
91.05486	11.1
93.07034	5.6
95.04967	16.0
95.08615	13.9
97.02885	1.2
97.06525	1.9
97.10165	6.1
99.11704	1.2
101.09989	1.0
105.07036	7.2
107.04955	3.5
107.08608	1.9
109.06498	1.8
109.10179	6.7
111.08078	4.3
115.05476	1.1
117.07062	1.3
119.08601	9.2
121.06480	2.0
121.10149	5.5
123.11682	2.8
129.07022	6.6
131.08536	5.0
133.06514	1.5
133.10153	2.2
137.09692	1.0
137.13261	2.2
142.07719	1.6
145.10057	1.2
147.08064	1.1
147.11703	4.2
149.09644	3.3
151.14934	1.0
154.49860	0.9
156.16649	1.1
157.10095	5.9
162.25848	1.0
163.11189	1.0
175.11209	6.0
190.98390	1.1
193.12254	22.8
211.13284	2.8
249.14801	2.1
257.24780	1.8
267.15939	100.0
302.16537	1.1
313.27383	88.5
314.27893	1.8
325.29669	1.1
418.21942	1.0
444.43338	1.1
499.30753	1.3
505.38922	76.2
517.88849	1.0
541.40015	1.5
576.50513	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.05523	5.9
57.03444	11.9
57.07080	21.3
59.99268	0.9
61.36741	1.0
67.05505	13.3
69.03422	1.4
69.07080	6.5
71.08630	18.2
73.44998	1.0
77.98811	1.2
79.05492	6.6
79.49897	1.1
81.03419	55.4
81.07062	13.9
83.04980	3.3
83.08617	14.0
85.10181	11.3
89.06004	1.4
90.65394	1.0
91.05484	10.0
93.07053	5.5
95.04975	16.4
95.08619	13.3
97.02924	1.4
97.06522	1.2
97.10173	4.5
98.93211	1.1
105.07009	6.1
107.04945	2.2
107.08620	1.8
109.06534	3.1
109.10185	6.1
111.04488	1.3
111.08095	4.9
111.11671	1.4
117.07045	1.3
119.08594	7.6
121.10178	3.3
123.08111	1.3
123.11730	2.3
129.07008	6.0
131.08585	4.9
133.06534	1.8
133.10124	2.1
133.92186	1.2
140.78854	1.0
140.87109	1.1
142.07758	1.2
147.08017	2.1
147.11705	2.8
149.09654	2.4
157.10124	6.9
165.12865	1.4
173.63879	1.2
175.11186	5.7
193.12231	21.4
200.53590	1.1
239.23767	1.9
256.17035	1.2
257.24741	1.6
267.15933	100.0
308.54623	1.0
313.27380	93.0
314.27859	1.2
415.93030	1.1
505.38922	79.1
506.39169	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	576.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.05518	7.5
57.03446	13.9
57.07083	29.4
61.52234	1.2
67.05510	15.1
69.03461	1.0
69.07076	9.5
70.10581	2.8
70.10975	2.9
71.08637	23.2
79.05488	9.4
81.03425	57.0
81.07056	17.0
83.04996	3.7
83.08630	19.6
85.10201	12.4
85.31199	1.4
91.05495	12.6
93.07045	6.3
95.04980	15.2
95.08622	18.0
97.02906	1.9
97.10187	4.0
98.21390	1.9
105.07028	9.2
107.04984	3.4
107.08591	2.8
109.06541	2.1
109.10149	7.2
111.08083	4.0
119.08582	8.2
121.06493	1.8
121.10153	5.3
123.08037	1.4
123.11687	2.9
129.07011	5.4
131.08560	5.8
133.06532	2.8
133.10153	4.0
135.11700	1.3
147.07970	2.8
147.11714	5.6
149.09653	4.4
157.10135	6.2
165.12679	1.7
175.11188	7.4
193.12253	20.3
199.22545	1.1
239.23940	1.4
249.14674	2.6
257.24771	1.4
267.15930	100.0
274.33072	1.3
285.17221	1.3
313.27377	86.1
421.33334	1.4
438.90439	1.3
505.38931	68.6
506.68991	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50120	1.6
53.03941	5.3
55.01870	5.8
55.05512	22.3
57.03435	3.2
57.07076	12.4
59.04992	1.9
59.57210	1.8
61.02923	2.4
67.05510	31.1
67.53117	1.4
68.99781	3.0
69.03432	22.9
69.06695	2.5
69.07072	42.6
70.16046	3.6
70.16441	3.6
71.04989	4.4
71.08621	4.8
73.02913	3.6
77.97497	1.7
78.36830	1.8
79.05499	13.5
79.53418	1.7
81.03429	12.2
81.07063	91.9
82.07452	1.5
83.04997	1.8
83.08622	26.8
85.02914	45.6
85.06549	18.1
85.10194	3.0
87.00840	23.5
91.05484	9.2
93.07053	20.1
95.04951	3.5
95.08615	100.0
95.24760	1.5
97.02900	17.8
97.06525	5.5
97.10178	18.4
99.04479	8.7
99.08098	12.2
105.01865	21.1
105.07019	9.4
107.04971	4.4
107.08607	17.4
109.02899	14.7
109.06522	2.8
109.10163	54.8
111.08073	3.7
111.11746	12.8
113.09648	2.6
117.01879	1.9
117.07003	2.1
119.08595	6.1
121.06550	1.9
121.10131	13.3
123.08105	2.0
123.11723	25.7
125.09652	2.9
125.13274	5.5
127.03927	31.5
127.11201	3.6
129.06963	2.3
129.12785	2.5
131.08560	5.1
133.06512	1.8
133.10156	5.3
135.04449	3.4
135.08069	2.1
135.11745	10.4
137.05966	5.1
137.13226	14.0
141.06911	1.8
143.08548	2.3
143.14299	3.3
145.04990	12.4
145.10144	6.6
147.11711	3.2
149.05978	2.2
149.09627	2.8
149.13266	20.0
151.14822	22.9
155.08560	2.0
157.10104	2.5
159.02882	4.6
159.11719	4.8
161.09683	2.7
161.13147	2.3
163.03903	5.3
163.14903	9.5
164.07072	1.6
165.09087	2.0
165.16434	8.9
167.07100	2.3
169.15915	2.3
175.11205	2.6
175.14871	2.7
177.12781	1.8
177.16429	2.3
179.17970	4.0
183.17485	3.6
189.09131	1.9
193.19598	1.9
201.16327	2.6
203.07016	2.0
205.19568	2.5
219.21175	3.8
223.20490	2.0
231.05066	9.1
237.22426	1.9
243.17496	2.4
249.25706	2.6
259.09674	2.1
263.27420	1.8
275.27359	10.5
281.28354	3.9
293.28421	25.7
310.91418	1.6
311.29474	23.3
319.09717	1.8
329.30582	2.6
383.29590	3.8
401.30432	4.5
419.31424	2.3
487.30579	2.0
505.31647	3.6
513.57373	1.8
523.32959	2.2
566.96173	1.6
577.20673	10.1
577.30780	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	577.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
54.23007	1.4
55.01860	5.5
55.05514	26.5
57.03428	5.4
57.07077	18.5
58.57949	1.2
60.29046	1.3
61.02922	2.3
65.45280	1.3
67.05508	37.3
68.99792	2.1
69.03434	22.7
69.07071	60.7
69.98640	3.6
69.99038	2.8
71.05000	3.4
71.08631	7.8
73.02910	2.7
79.05491	14.6
81.03425	16.0
81.07057	100.0
81.81154	1.2
83.04999	1.5
83.08620	33.4
85.02910	52.9
85.06550	66.3
85.10168	4.0
87.00832	26.1
91.05479	5.8
93.07056	15.3
95.04984	3.6
95.08611	89.9
97.02900	21.3
97.06540	5.7
97.10175	23.5
99.04472	7.0
99.08105	12.5
100.71838	1.2
105.01877	22.3
105.07027	7.5
107.08591	17.1
109.02882	13.8
109.06546	2.1
109.10161	59.4
111.04350	1.7
111.08097	5.4
111.11728	17.3
113.09631	3.4
115.03893	2.1
117.01836	2.1
119.08598	5.5
121.06534	1.9
121.10153	10.5
123.11713	33.3
125.09598	2.7
125.13284	8.0
127.03922	28.9
127.11196	2.8
129.01817	2.8
129.12753	3.9
131.08563	2.5
133.06525	1.4
133.10138	3.7
135.08026	1.5
135.11722	9.8
137.13266	18.1
139.11179	2.1
139.14827	3.1
141.45131	1.2
143.14337	2.8
145.04965	11.1
145.10117	2.8
147.02924	2.4
147.11682	2.5
149.09554	1.5
149.13278	14.1
151.14821	13.3
155.14372	1.7
157.10042	1.8
159.02882	6.9
159.11716	2.2
161.09586	1.6
161.13223	1.7
163.14832	10.1
165.16367	8.6
169.15952	2.2
177.12758	1.5
177.16373	3.6
179.17960	5.8
183.17448	3.0
185.13368	1.5
187.14764	1.5
193.19528	2.9
199.20659	2.9
205.19569	3.4
213.04034	1.8
219.21014	4.2
223.20520	1.9
231.05095	8.0
237.22197	2.2
249.06050	2.4
249.25926	1.6
249.47725	1.4
263.27313	3.4
275.27472	8.5
281.28387	26.6
293.28394	34.3
311.29495	23.3
329.17395	1.4
329.30478	4.3
335.29355	1.7
371.29486	2.1
383.29419	3.5
389.30615	1.6
401.30423	6.6
467.67059	1.3
487.30316	3.7
505.31424	3.0
523.32111	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	577.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01870	5.8
55.05518	21.5
57.03429	5.6
57.07084	13.2
61.02920	4.0
65.03938	1.9
65.99745	1.2
67.05515	26.0
68.99785	3.5
69.03088	1.8
69.03439	22.6
69.07074	43.6
70.59568	1.4
70.96223	2.4
71.04991	3.9
71.08638	4.2
73.02908	4.6
79.05505	11.1
81.03428	16.2
81.07064	96.1
83.05002	1.4
83.08625	26.1
85.02912	57.0
85.06551	15.0
85.10197	2.2
87.00840	27.6
91.05473	5.6
93.07056	18.7
95.04955	2.5
95.08617	100.0
97.02374	1.9
97.02908	19.0
97.06531	4.7
97.10176	18.3
99.04465	8.6
99.08100	9.6
105.01879	21.9
105.07064	6.5
107.08602	19.8
109.02885	17.0
109.06602	1.8
109.10172	56.7
111.04489	1.9
111.08077	4.3
111.11741	17.2
113.09633	2.7
115.03938	2.3
117.01828	2.8
117.07030	1.7
119.08559	5.3
121.06446	1.7
121.10149	10.9
123.11716	29.4
125.09627	1.9
125.13287	6.5
127.03017	1.7
127.03940	32.2
127.11217	5.2
129.01840	2.6
129.12788	1.8
131.08589	3.6
133.06497	1.4
133.10104	3.2
135.11708	10.6
137.13263	16.7
139.14798	2.1
143.14351	2.2
145.04991	10.5
145.10083	3.1
147.04369	1.5
147.11749	2.2
149.13278	17.2
151.07520	2.0
151.14841	22.6
153.12820	2.6
155.14351	2.1
159.02884	5.8
159.11723	2.4
161.13187	2.1
163.03944	2.2
163.14850	9.0
165.09123	1.6
165.16441	6.9
166.00732	1.4
169.15903	3.1
171.11659	1.8
173.09613	1.6
173.13205	1.5
177.16348	4.4
179.17976	5.2
183.17505	1.5
189.03967	1.6
189.09114	1.5
191.17941	3.0
193.19598	2.1
199.20648	1.6
205.19618	3.8
213.04077	1.9
219.21092	3.2
223.20851	1.4
231.05092	8.5
237.22137	2.2
249.05898	2.1
275.27338	12.3
281.28427	3.4
291.26926	2.3
293.28397	21.9
311.29416	15.7
325.65109	1.5
335.29349	1.7
383.29462	3.6
401.30322	4.6
475.30838	1.5
487.30548	2.4
505.31406	4.5
559.18323	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.4
55.01874	10.5
55.05279	3.4
55.05515	46.1
57.03442	10.8
57.07073	4.8
59.04984	3.8
65.03933	4.2
67.05504	100.0
69.03413	7.8
69.07065	30.4
69.50937	13.5
71.05003	10.7
71.08645	3.2
72.41637	1.8
79.05496	62.1
81.03400	6.7
81.07055	95.9
83.04967	8.0
83.08616	30.1
85.06526	6.2
91.05475	50.6
93.07045	68.9
95.04976	13.3
95.08610	63.4
97.02889	2.2
97.06528	9.4
97.10169	40.3
99.00787	4.2
99.08070	4.2
99.10220	2.0
101.09640	2.0
103.05444	2.1
105.04469	2.0
105.07034	54.9
107.04915	6.2
107.08591	44.1
109.02842	6.1
109.06499	7.8
109.10160	32.0
111.04435	2.6
111.08057	10.9
113.09549	2.1
115.05443	3.7
117.07028	23.2
119.08582	39.2
121.06503	5.9
121.09348	2.3
121.10150	29.0
123.08043	5.4
123.11722	14.1
125.09631	25.3
128.06187	2.8
129.07004	12.9
131.08565	34.5
133.06482	2.3
133.10120	34.8
135.08026	6.9
135.11681	21.6
137.09615	2.8
137.13229	5.2
141.06979	4.4
142.07693	2.2
143.08559	20.5
145.10121	25.1
147.08020	3.5
147.11700	16.4
149.09607	4.6
149.13237	10.4
151.11151	6.7
153.12740	4.6
155.08566	10.0
157.10162	15.5
159.08018	2.9
159.11703	15.0
161.09587	8.4
161.13245	14.6
163.11165	5.3
163.14830	5.7
167.08557	4.0
169.10089	7.4
171.08084	3.4
171.10237	3.3
171.11613	16.4
173.09601	4.1
173.13266	15.7
175.11145	4.0
175.14807	9.2
177.12729	3.7
179.10695	4.9
179.14323	4.1
181.10155	3.5
181.12154	2.5
183.11615	9.0
185.13231	11.8
187.14806	7.9
189.09271	3.4
189.11191	13.0
189.12682	3.7
189.16393	5.6
191.14284	3.9
195.11578	2.9
197.13300	7.1
199.11208	3.0
199.13106	2.6
199.14787	7.9
201.16377	6.1
203.14102	3.2
203.18001	3.1
209.13362	4.1
211.14754	4.3
213.16371	4.7
215.17787	2.6
217.15869	2.5
223.14830	3.3
225.11191	7.6
225.16458	2.4
227.12759	25.8
229.14119	2.8
233.22719	2.4
235.14857	3.8
243.12332	2.2
243.21193	4.1
259.20630	6.1
261.22165	20.0
267.15894	2.8
275.20010	3.2
277.21542	7.7
279.23358	5.2
281.13821	3.3
283.15332	3.1
285.22040	3.7
287.23682	5.9
289.21588	3.3
297.22195	3.6
299.14853	18.3
299.20193	2.6
299.23648	3.5
301.25299	10.3
303.23022	2.2
305.24429	2.3
315.23203	9.4
317.24667	4.0
333.23956	2.5
335.25769	18.1
339.23364	2.9
361.62161	2.2
403.29568	3.0
417.31436	4.6
419.27988	2.2
420.22522	2.2
421.25964	3.0
421.31021	6.4
431.29031	2.4
435.32498	11.2
437.20865	2.1
439.32086	5.0
445.33353	3.7
449.30142	9.2
453.33606	10.4
457.33115	3.9
467.31412	15.2
471.34631	4.9
485.32419	10.5
495.34991	2.7
495.84119	2.3
501.35703	9.5
509.36066	4.7
513.35858	13.1
515.37384	3.0
517.38507	2.4
519.36798	29.0
521.42542	2.0
523.34003	2.7
527.30078	3.3
527.37311	41.6
531.36536	9.1
541.35211	37.3
545.38293	35.3
559.35864	46.6
577.41443	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	2.3
53.03934	7.0
55.01855	10.1
55.05270	3.5
55.05511	49.6
55.84868	2.3
57.03421	10.6
57.07065	8.3
59.04982	3.3
61.84832	2.0
63.31717	2.0
65.03928	4.1
67.05504	100.0
69.03424	3.9
69.07065	31.8
71.04984	9.2
71.08640	3.7
71.53150	3.3
73.02888	2.4
79.05491	55.1
81.03407	7.5
81.06598	4.8
81.07056	91.7
83.04964	9.9
83.08614	28.5
85.06527	7.1
90.87698	2.2
91.05487	56.6
93.07043	70.6
95.04951	8.2
95.08601	68.0
97.02903	2.9
97.06525	9.3
97.10168	37.4
99.00799	6.3
105.07027	56.4
107.04935	9.2
107.08588	47.0
109.02867	5.6
109.06506	7.3
109.10150	40.7
111.04440	3.3
111.08089	7.7
117.07003	19.9
119.08576	34.4
121.06507	6.6
121.10132	25.2
123.08042	3.8
123.11703	13.4
125.09624	25.7
128.06215	2.7
129.06963	11.3
131.08556	33.1
133.06454	3.8
133.10124	43.5
135.08047	7.0
135.11699	19.2
137.09587	3.3
137.13174	2.7
141.06972	2.5
143.08521	21.0
143.68726	2.4
145.10133	24.9
147.08047	6.2
147.11684	13.8
149.09579	6.5
149.13274	11.7
151.11209	13.1
153.09126	3.8
155.08508	9.4
157.10138	14.9
159.11679	16.3
161.09657	13.7
161.13303	13.7
163.11182	6.2
163.14764	5.5
167.08553	3.0
169.10095	8.4
171.11668	10.5
173.09671	3.6
173.13271	15.7
175.11133	2.6
175.14818	8.5
177.12714	4.6
177.16504	4.0
179.10692	3.8
179.14336	5.1
181.10155	6.6
181.12103	3.3
183.11700	8.0
185.13283	10.4
187.14806	9.7
189.09152	4.5
189.11174	11.5
189.16383	4.0
191.10579	3.3
195.11684	5.6
197.13246	6.4
199.14778	6.5
201.16357	6.0
203.14381	2.4
208.51674	2.5
209.13309	4.5
211.14825	6.1
213.16328	6.5
225.11235	8.6
227.12782	33.7
227.17894	2.6
235.14667	4.0
241.19511	3.9
243.21133	5.8
245.13707	2.8
259.20505	3.5
261.22177	18.0
277.21609	7.4
279.23132	7.1
281.13779	5.6
283.15305	5.6
287.23550	6.5
289.21664	2.6
297.22079	4.5
299.14914	21.4
299.20352	2.7
299.23584	3.3
301.16431	3.1
301.25290	11.3
303.23175	2.6
315.23221	8.6
317.24658	5.5
329.03333	2.4
331.22525	3.1
333.24133	4.9
335.25876	19.2
407.24432	5.3
421.25873	2.9
421.30920	7.1
435.32791	10.7
439.31833	4.5
449.30322	7.2
453.33661	9.2
457.32794	3.6
467.31326	13.2
471.34372	7.4
473.34717	3.0
485.32501	10.8
501.35593	9.0
506.39261	2.7
509.35767	6.4
513.35889	11.5
519.36957	25.2
523.34070	4.4
527.37292	35.9
531.36774	8.5
533.37592	2.9
541.35150	43.1
545.38342	38.7
559.35791	37.5
577.40936	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31275	5.8
53.03942	14.1
55.05517	48.9
57.03429	13.4
57.07062	7.8
61.85997	5.4
65.03927	10.1
67.05510	96.7
69.07076	32.9
71.04993	9.0
71.08637	10.4
71.53159	5.5
79.05499	66.0
81.03415	14.1
81.07056	95.8
83.04978	8.5
83.08627	26.2
91.05498	55.7
93.07050	69.2
95.04990	18.0
95.08613	76.4
97.02924	9.6
97.06525	10.7
97.10181	24.6
105.07050	60.3
107.04945	10.2
107.08595	52.7
109.02887	9.0
109.10167	32.5
111.08083	8.8
117.07021	26.3
119.08589	39.2
121.06489	7.9
121.10174	27.4
123.08057	9.9
123.11735	18.1
125.09631	18.9
129.06979	16.8
131.08585	31.3
133.10150	45.6
135.11717	22.3
143.08607	13.8
145.10152	28.6
147.11713	22.3
149.13264	9.7
151.11200	12.1
155.08517	6.6
159.08116	6.1
159.11714	30.7
161.09656	14.2
161.13275	10.6
163.11172	16.6
163.14815	6.4
171.11783	8.5
173.13303	18.4
179.14397	7.0
185.13219	6.8
189.11218	16.0
197.13332	8.0
199.14870	7.5
209.11699	8.7
225.11217	12.9
227.12811	15.6
243.20966	6.6
259.20627	7.0
261.22162	32.7
273.18643	10.6
277.21677	19.3
283.15253	13.0
291.19623	12.3
299.14908	32.5
305.05188	6.2
311.18454	6.0
315.23239	17.1
317.24808	11.2
322.74695	6.7
333.24374	6.4
335.25955	31.9
351.25668	9.4
439.31989	8.2
449.30365	10.4
457.32877	7.8
457.74670	6.3
467.31543	26.5
485.32623	17.4
495.34573	6.2
513.35620	25.1
523.34387	7.4
531.36768	20.7
534.74689	5.8
541.35315	71.7
559.36334	100.0
577.12921	7.8
577.37372	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	577.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	8.9
55.01858	8.2
55.05514	40.5
57.03440	12.4
57.07072	4.4
59.04985	2.2
60.72635	1.9
63.10910	2.1
65.03928	4.8
66.33967	1.9
67.05505	82.9
69.03439	2.1
69.07073	25.9
71.04999	13.5
71.08631	7.1
71.52935	2.2
71.53366	2.4
78.70650	2.0
79.05495	70.0
81.03429	25.7
81.07060	100.0
83.04989	9.9
83.08221	2.0
83.08628	21.3
85.06549	9.8
88.30205	2.0
89.06048	1.8
91.05483	57.3
93.07044	65.3
95.04968	18.3
95.08612	54.9
97.06549	9.9
97.10181	21.1
99.08098	7.9
103.05459	2.2
105.07030	54.8
107.04945	7.8
107.08594	40.1
109.06516	6.2
109.10158	27.8
111.04405	2.4
111.08059	6.6
117.07021	17.6
119.08590	39.5
121.06489	5.2
121.09345	2.3
121.10158	32.5
123.08055	6.9
123.11687	9.2
125.09627	13.6
128.06195	2.8
129.07022	13.9
130.75461	1.9
131.08574	34.2
133.06497	2.0
133.10121	26.2
135.08052	4.7
135.11684	14.2
137.09615	4.6
137.13210	2.4
139.11211	2.4
143.08539	12.2
145.10112	24.6
147.08044	3.9
147.11693	23.9
149.09634	9.0
149.13246	8.4
151.11163	7.5
155.08536	7.5
156.09241	2.2
157.10118	16.1
159.11664	18.2
161.09586	4.3
161.13300	12.5
163.11136	7.0
163.14819	3.8
165.12735	5.3
167.08485	2.4
169.10132	8.2
171.11667	11.4
173.09636	3.2
173.13217	12.7
175.11174	3.7
175.14792	6.4
177.12740	4.2
177.16350	1.9
181.10130	5.6
183.11703	8.0
185.13249	8.2
187.11194	2.2
187.14796	7.1
189.11160	9.6
189.16312	3.9
192.75783	2.2
193.12230	9.5
195.11665	4.2
197.13210	7.0
199.14859	7.6
201.16373	4.2
211.13264	3.7
211.15010	2.4
213.16388	2.4
218.53459	2.2
221.13138	2.2
225.11206	2.5
227.12779	19.2
227.16240	2.4
229.67162	2.0
239.16389	2.6
241.19473	2.6
259.20575	4.4
261.22128	12.2
267.15848	24.0
271.20853	2.2
275.20172	3.2
277.21735	6.0
283.15366	6.4
285.22311	2.1
287.23508	2.5
289.21567	2.4
291.19827	2.7
293.21103	18.7
299.14886	3.4
299.23636	2.5
301.21893	3.0
301.25009	10.0
303.23224	4.3
315.23166	6.2
317.24658	2.4
329.24768	2.1
335.26004	15.8
351.25238	3.9
359.25702	4.4
363.25449	2.4
365.23343	2.1
367.25043	2.8
417.31506	3.2
435.32486	12.3
436.24118	1.9
453.33847	13.5
471.34479	7.0
501.35825	2.5
509.36084	6.7
522.15570	2.1
527.37311	59.4
541.35089	3.7
545.38379	51.0
559.35724	16.1
577.37897	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09878	2.7
53.03947	5.3
55.01868	8.9
55.05514	44.2
57.03438	16.9
57.07064	5.0
59.04993	3.4
65.03921	5.8
67.05508	96.0
67.95729	2.7
68.72141	2.6
69.03437	5.4
69.07072	28.5
69.71439	2.7
69.72520	15.0
71.05009	17.2
71.08616	2.8
72.35332	2.4
79.05071	5.7
79.05499	74.9
81.03416	31.5
81.07063	100.0
83.04992	10.0
83.08624	23.8
85.06554	9.4
91.05490	61.4
93.07052	72.5
95.04960	14.9
95.08615	73.9
97.06548	10.8
97.10178	18.3
99.08103	5.4
105.07043	57.8
107.04966	6.8
107.08592	57.3
109.06524	6.9
109.10165	34.7
111.08072	8.1
117.07028	24.4
119.08585	50.1
121.06516	4.5
121.10152	40.6
123.08086	9.4
123.11739	11.0
125.09686	14.7
129.07034	14.8
131.08580	33.4
133.10155	37.2
135.08116	5.0
135.11699	21.8
137.09665	3.6
137.13275	4.7
141.06993	4.5
143.08563	14.6
145.10136	25.2
147.11696	24.4
149.09636	5.4
149.13239	11.3
151.11169	4.9
155.08586	8.5
157.10167	14.3
159.11703	24.4
161.09584	3.5
161.13272	11.2
163.11244	4.3
163.14888	4.7
165.12744	3.7
169.10188	10.2
171.11719	12.4
173.11873	5.1
173.13297	14.6
175.11211	3.3
175.14886	8.4
179.14357	2.8
181.10165	5.6
181.50937	3.0
182.79990	3.0
183.11723	10.2
185.13309	10.8
187.13301	3.0
187.14890	7.3
189.11237	8.9
189.12741	3.0
193.12268	11.0
195.11685	2.7
197.13261	6.5
199.14906	6.0
201.14792	3.7
209.13347	3.5
211.14890	4.6
213.16504	3.9
225.16571	3.4
227.12827	17.8
229.14317	3.4
237.16522	3.8
239.16356	6.0
243.21196	4.3
259.20569	5.9
261.22250	8.4
267.15924	30.3
273.22217	3.7
285.22070	4.7
287.23715	4.6
289.21707	3.8
299.23642	5.0
301.20059	3.5
301.25357	16.4
303.23111	3.3
335.25784	16.5
342.00211	3.0
363.25519	6.7
403.25043	3.4
417.31641	7.8
435.27457	5.3
435.32608	22.4
449.29080	3.3
453.33548	18.8
471.35071	13.5
509.36121	11.7
527.37347	88.9
545.30554	5.6
545.38434	77.0
559.40265	16.8
577.24701	4.6
577.41779	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	578.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26899	1.7
53.03937	4.1
55.01859	5.9
55.05511	17.6
57.03437	11.3
57.07064	2.7
58.87866	1.6
62.22872	1.5
65.03915	1.6
67.05507	42.1
69.07069	11.1
69.26260	3.7
69.26653	14.2
71.04992	2.8
79.05492	30.1
81.03416	7.8
81.06600	3.0
81.07057	47.1
81.07527	2.4
83.01344	5.2
83.04967	6.9
83.08621	12.9
85.02910	3.0
88.17194	1.5
91.05489	20.0
93.06488	2.9
93.07044	43.3
95.04955	6.0
95.08607	34.4
97.06521	4.5
97.10161	3.3
105.07035	14.9
107.04941	4.8
107.08595	22.3
109.06501	5.8
109.10155	11.2
117.06994	7.1
119.08577	12.0
120.00377	1.5
121.06494	3.6
121.10139	17.3
123.08064	6.6
123.11758	3.3
124.35164	1.6
125.05964	1.7
129.06972	2.1
131.08551	6.7
133.10176	8.4
135.11703	18.5
143.08546	2.5
145.10143	15.4
147.07991	1.8
147.11638	4.3
149.09583	1.7
149.13246	6.6
153.12683	3.2
159.11699	3.8
161.13277	2.6
163.11205	21.3
163.14949	1.7
173.09593	3.1
173.13220	4.5
175.14806	1.7
181.12260	2.3
209.11746	12.3
227.12791	4.4
243.21214	3.5
261.22205	11.5
283.15399	79.3
317.24835	2.4
335.25800	100.0
451.32422	1.9
456.55923	1.7
498.19299	1.7
543.36804	48.6
579.38251	2.4
581.29816	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2073
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03924	0.5
55.01850	0.6
57.03407	0.2
61.02896	0.5
65.03937	0.9
67.05499	0.4
69.03146	0.1
69.03430	1.5
69.37672	1.2
71.04978	0.3
73.02900	0.2
77.03923	0.2
78.04710	1.9
79.05489	1.1
81.03400	0.6
81.07053	0.3
81.36507	0.2
82.04177	0.3
85.02905	2.3
87.04443	0.2
91.05482	1.1
91.17352	0.2
93.03390	0.4
95.04949	0.6
97.02924	0.9
97.06499	0.3
103.05475	1.1
106.04166	1.6
107.04968	0.9
109.02849	0.5
110.03644	0.3
111.04385	0.2
115.04698	0.3
115.05453	2.9
117.06235	0.3
117.07019	5.4
122.03654	0.4
123.04433	5.0
124.05213	1.5
125.05993	0.3
125.71741	0.2
127.03925	0.2
127.05412	0.9
131.04892	0.3
134.03621	0.4
135.04395	0.2
137.06001	0.4
138.03101	0.2
142.02585	0.6
143.04932	0.4
145.06485	8.0
147.08054	0.6
151.03900	1.0
152.04677	1.7
153.05457	0.5
155.04924	0.2
155.06036	3.8
160.05205	0.2
161.05994	0.2
163.03885	0.2
167.07039	100.0
168.07436	0.2
171.06529	0.6
172.05112	0.2
173.05988	20.7
174.06450	0.1
175.07556	0.8
181.04959	22.3
189.05463	0.2
190.06194	0.3
191.07153	0.2
201.05510	0.8
203.07100	0.2
205.08627	4.1
207.10190	0.2
209.08038	0.2
218.05695	0.2
221.07880	0.3
233.08092	5.4
233.10423	0.3
235.09648	4.8
295.09619	0.2
327.12595	0.2
356.12354	0.2
369.13449	0.3
387.14398	14.6
388.14465	0.2
401.08444	0.2
417.15433	10.7
493.49319	0.2
548.41156	0.2
579.20734	63.5
580.21356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2078
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03936	0.5
55.01863	0.7
65.03928	0.9
67.05490	0.5
69.03446	1.8
71.51666	0.5
72.01776	0.3
78.04723	2.1
79.05486	1.0
80.48009	0.4
81.03407	0.5
82.04210	0.4
85.02900	2.0
89.31644	0.3
91.05479	1.2
93.03416	0.4
95.04970	0.6
97.02892	1.3
103.05463	1.7
104.69922	0.3
106.04172	1.4
107.04966	0.7
110.03670	0.7
113.69551	0.3
115.05466	2.8
115.68732	0.3
117.07027	4.9
119.08576	0.6
122.03595	0.4
123.04451	4.3
124.05228	1.8
125.05946	0.4
127.05440	0.9
133.06471	0.3
137.05997	1.4
142.02637	0.8
143.04849	0.4
145.05417	0.6
145.06499	8.3
145.07648	0.5
147.08046	0.6
149.66064	0.3
151.03900	1.1
152.04729	1.8
153.05501	0.5
155.06050	3.8
160.05199	0.3
161.05998	0.4
167.07059	100.0
168.07426	0.5
171.06592	0.5
173.06001	19.8
175.07565	0.9
181.04970	22.0
190.06297	0.4
201.05525	0.9
201.63672	0.3
205.08617	3.8
229.94530	0.4
233.08121	4.7
235.07497	0.5
235.09624	3.5
237.57739	0.4
310.15622	0.3
356.12466	0.4
369.13226	0.3
387.14435	14.1
417.15521	9.6
522.56567	0.3
579.20807	56.0
580.21252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52843	2.8
53.03936	5.5
55.01865	5.6
56.24892	2.6
56.96562	23.6
57.03421	11.6
57.65490	2.6
61.02924	15.1
61.66397	2.7
67.05502	5.6
69.03431	44.8
71.04971	6.8
73.02905	13.0
79.05490	23.9
81.03410	16.5
81.07051	9.0
83.04953	3.8
84.96021	9.2
85.02907	82.2
86.03223	4.4
87.04458	12.5
91.03944	9.4
91.05481	8.7
93.07026	6.0
95.08602	8.4
97.02893	45.4
98.03264	3.3
98.97586	95.1
99.04430	10.1
105.07021	12.3
107.04945	10.0
107.08599	12.5
109.02871	12.2
109.06493	9.3
110.97575	22.4
111.04440	3.2
111.31376	3.0
112.99104	9.7
115.03880	3.3
116.98617	28.7
117.03366	5.4
119.04950	6.9
120.82860	3.1
121.06517	9.0
123.08078	10.2
127.03935	25.2
128.02330	3.5
128.98647	19.4
131.00169	6.9
131.01765	2.7
134.99622	7.2
135.04402	6.6
137.05984	54.4
138.06337	5.2
140.02182	3.0
140.98625	2.9
141.09085	11.8
143.00142	12.0
143.10652	7.5
144.98058	3.1
145.01738	2.9
145.02849	4.6
145.04979	17.2
146.99608	4.9
147.03227	3.4
147.04399	12.2
149.05983	6.1
157.93977	3.2
158.99661	33.7
161.01208	4.6
162.99101	4.3
163.03932	31.5
165.05470	3.4
167.07092	15.4
168.07469	3.9
170.99611	10.6
172.05634	8.8
177.00772	18.8
177.05472	12.2
178.03825	8.0
178.05698	3.6
179.07022	7.1
180.05489	15.0
182.03329	6.8
182.99718	4.6
185.04927	3.4
187.04405	22.1
189.00677	7.4
189.05994	15.1
189.56055	3.4
191.03912	10.9
195.03279	4.1
196.04909	3.8
197.04883	7.2
201.00729	10.2
208.04825	3.5
209.08054	4.6
211.02754	4.1
213.00679	5.2
215.05907	6.8
219.01756	45.8
220.02293	5.5
223.05486	11.8
227.09137	3.1
229.03888	4.3
233.06934	4.0
235.02716	6.4
237.02782	38.4
239.05957	24.2
248.07588	3.6
253.03824	12.3
254.09050	5.5
257.06937	9.1
259.06528	100.0
259.56628	15.8
260.07214	7.4
261.02692	5.1
261.08167	22.4
265.03900	7.1
268.02530	3.2
271.04865	6.8
277.03708	3.8
279.03873	4.3
283.04797	8.0
285.02670	6.4
293.09485	5.2
295.04803	9.8
303.03897	8.0
307.04816	4.3
312.08371	5.4
313.08932	4.2
324.61734	2.8
325.06189	3.3
327.03766	9.7
329.04037	3.1
338.11203	9.4
340.12814	6.0
342.10638	12.9
343.11325	6.2
355.07104	3.9
359.10184	15.6
361.11749	4.8
369.04681	3.7
373.08090	6.9
374.12305	22.5
374.62540	36.2
375.12686	16.8
377.11166	10.6
378.10730	7.0
379.12405	4.3
383.12631	10.5
383.62875	13.6
384.13245	5.8
391.12924	4.0
393.11453	14.0
393.61368	8.7
401.11328	3.5
410.12961	3.0
415.09003	5.0
418.12900	8.8
418.63251	12.2
419.13821	75.3
419.63867	19.9
420.14545	16.7
420.64624	4.2
421.15329	9.1
445.10153	9.2
517.12854	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18862	0.9
69.99792	1.9
70.00175	2.2
79.42106	0.9
98.21505	0.9
103.82403	0.9
105.00450	0.9
137.88466	0.8
150.97108	0.9
166.72311	0.8
213.19933	0.8
314.85706	1.0
337.97885	0.9
346.87793	1.1
375.16489	0.9
378.18558	1.0
379.19214	2.3
391.19183	1.2
393.20755	2.5
403.19434	1.5
404.19800	1.4
405.20679	2.5
407.18134	2.0
407.22739	1.2
419.18207	1.4
420.15411	2.2
421.20068	9.3
421.24695	0.8
432.18918	1.2
433.16455	1.8
433.24155	1.7
434.16769	1.8
435.17087	4.4
436.22742	10.3
445.19940	1.5
445.74991	1.0
447.17224	1.0
447.22339	1.4
448.18597	2.1
449.19208	8.6
450.23944	1.7
452.22330	1.2
459.21735	1.6
460.22467	1.6
461.23975	1.0
463.21323	6.4
464.21713	1.3
473.23416	1.2
475.21054	12.3
477.23303	4.1
491.24274	3.4
492.21561	12.8
494.22852	1.2
494.67551	1.0
503.24268	1.7
507.27573	2.1
519.23590	1.8
523.27100	10.3
533.25244	1.3
535.27344	1.6
547.27484	2.0
551.18597	1.4
551.26593	23.7
579.25909	100.0
580.26300	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	2.2
67.05494	0.8
69.45652	3.1
69.46067	1.0
71.05001	0.8
71.08620	1.6
81.07061	1.9
81.34111	0.5
83.08607	0.9
85.10199	0.6
86.24885	0.6
86.25474	0.6
91.43081	0.5
93.07033	0.6
95.08634	1.5
109.10178	0.8
121.10087	0.6
132.91605	0.6
134.72836	0.7
143.44115	0.5
267.15659	6.0
313.27570	1.2
323.18262	4.0
538.47644	0.7
579.42346	100.0
580.42676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04535	100.0
67.05503	10.8
69.03414	9.5
69.57194	50.0
79.05511	7.9
81.03419	8.4
81.07054	15.8
85.02896	22.8
91.05461	7.9
93.06982	7.8
95.08620	10.2
98.19965	7.8
98.80145	7.6
109.02869	16.6
122.67635	11.1
127.03894	11.8
134.63780	7.6
137.05992	69.3
151.07536	21.0
167.07019	7.5
278.24799	10.3
296.25854	8.4
314.26883	27.3
315.27972	7.3
332.27972	63.4
337.14209	10.3
355.15302	22.9
373.16391	29.3
397.40976	8.5
548.20117	9.5
562.31964	8.7
580.34027	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04663	0.7
53.03946	1.9
55.01857	2.6
55.05513	18.6
56.27501	1.1
57.03441	7.0
57.07077	4.4
65.03916	1.0
67.05507	40.2
69.03410	1.0
69.06733	1.1
69.07074	18.1
70.77041	2.5
71.04984	1.6
71.08621	1.6
74.94554	0.7
77.86990	0.9
79.05494	19.9
79.47433	0.9
79.91190	0.8
81.03413	2.5
81.07059	40.6
82.07404	2.1
83.04970	2.7
83.08620	12.8
85.06525	1.1
91.04969	1.3
91.05484	12.8
93.07044	28.3
94.07364	1.1
95.05008	4.4
95.08608	42.8
96.08898	0.9
97.02898	1.1
97.06513	3.4
97.10164	5.2
99.04432	2.0
105.07040	10.7
106.07318	1.4
107.04976	5.1
107.08595	20.6
109.06499	2.3
109.10143	10.4
110.10502	1.2
111.04433	1.0
111.08067	2.2
117.07006	4.6
119.08589	10.3
121.06478	4.2
121.10147	11.9
123.11688	3.2
125.05923	1.8
129.68073	0.8
131.08540	1.8
133.10114	6.3
135.08081	1.0
135.11693	30.1
137.13242	1.5
139.07526	0.9
143.08528	1.0
145.09056	1.3
145.10127	15.5
147.11667	2.6
149.13275	1.7
157.10190	0.8
161.13243	1.0
163.11183	30.8
163.12566	1.6
163.14838	1.2
175.14917	1.0
181.12241	5.4
193.12282	1.0
209.11716	0.9
227.12787	45.7
245.22682	1.1
249.10954	1.3
250.11319	1.1
251.60986	0.9
263.23685	2.2
268.16156	1.0
283.15405	39.4
285.17126	1.2
313.27579	0.9
337.27377	100.0
338.27573	1.2
474.36462	0.9
530.39136	4.8
545.38379	59.5
548.40063	3.1
562.37360	5.3
580.38861	16.2
581.39966	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	580.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01865	2.8
55.05270	1.6
55.05515	19.4
55.31179	1.4
57.03444	16.8
57.07079	1.7
63.41064	1.3
67.05507	52.2
69.03416	2.4
69.07070	12.1
69.59379	8.4
71.04987	4.4
77.08844	1.2
79.05498	40.2
81.03418	50.1
81.07056	45.2
83.04985	11.4
83.08613	18.3
85.00621	1.4
85.02912	16.3
85.06546	2.0
91.04926	1.5
91.05482	31.2
93.07044	37.9
95.04970	18.9
95.08613	36.8
97.06530	4.8
97.10175	4.6
99.68829	1.2
105.04480	2.0
105.07024	19.4
107.04929	3.2
107.08595	21.8
109.06507	5.3
109.10154	13.5
111.08092	6.9
117.07019	4.7
119.08593	16.8
121.06490	2.5
121.10140	18.6
121.54401	1.4
123.08064	2.6
123.11681	4.8
129.07034	8.0
131.08562	11.3
133.10146	10.0
135.11707	8.1
137.09587	1.9
142.07805	1.8
145.10124	6.1
147.08102	2.8
147.11693	13.3
149.09583	4.8
149.13213	2.8
151.11214	2.1
157.10139	10.4
159.11700	3.8
161.13332	2.6
163.11235	2.5
163.14862	1.7
173.13286	3.4
175.11206	9.6
193.12260	34.4
199.45573	1.7
211.13309	46.5
215.97432	1.4
227.12842	1.5
243.21005	1.5
261.22070	5.2
267.15982	6.6
277.40634	1.5
285.16971	43.7
311.90796	1.5
335.25809	100.0
336.26239	3.3
337.26434	2.0
456.45081	1.5
469.24704	1.5
527.37164	5.5
545.38373	99.9
580.38940	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	580.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01865	4.9
55.05516	24.6
57.03201	2.0
57.03447	17.7
57.07066	5.1
65.03944	3.9
67.05509	64.8
68.32796	1.3
69.03426	4.7
69.07071	20.6
71.04984	4.6
71.17313	2.3
77.24786	1.3
79.05497	51.5
79.91760	1.5
81.02931	2.2
81.03424	62.8
81.07059	69.7
83.04986	21.0
83.08622	25.1
85.02912	20.8
85.06541	4.2
91.05486	48.0
93.07049	44.1
95.04970	28.1
95.08611	37.6
97.02883	3.4
97.06541	6.8
97.10188	4.5
98.38353	1.4
99.08076	2.0
105.04491	3.1
105.07032	29.1
107.04985	8.8
107.08587	24.4
109.06503	5.9
109.10162	15.3
111.04482	2.6
111.08086	13.7
113.05978	3.3
117.07031	5.9
119.07802	2.4
119.08595	26.4
120.28584	1.3
121.06499	2.0
121.10149	20.4
123.08091	3.1
123.11701	6.7
125.09673	3.4
129.07030	12.4
131.08577	19.5
133.06499	3.9
133.10141	17.1
135.11681	9.9
142.07819	3.2
145.10127	8.7
147.08075	3.0
147.11705	19.3
149.09659	6.4
149.13286	4.6
157.10146	16.3
159.11664	2.6
161.13240	2.9
163.14809	2.6
165.12788	3.0
173.13297	3.1
175.11188	14.8
187.14944	1.9
188.74603	1.4
193.12254	53.1
199.85933	1.4
211.13298	87.1
243.21161	2.0
249.14857	1.7
252.15962	3.5
261.22223	9.0
267.15939	18.6
277.21460	1.5
285.16977	89.5
286.17303	1.9
301.98590	1.5
317.24756	3.3
326.19458	2.3
335.25821	100.0
435.32382	1.8
527.37378	8.5
545.38397	79.3
562.40710	2.1
580.38641	8.1
581.24109	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	581.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82958	0.2
55.05503	0.6
57.03425	0.5
57.07075	2.1
67.05493	0.8
69.07081	0.6
69.47630	1.3
71.06366	0.2
71.08640	1.4
79.05481	0.6
81.03415	0.4
81.07056	1.3
83.08620	0.6
85.10181	0.8
91.05480	0.4
93.07033	0.5
95.08620	1.1
97.06581	0.2
97.10153	0.3
98.20788	0.5
103.65962	0.2
105.06989	0.3
107.08615	0.4
109.10178	0.5
111.35360	0.2
119.08590	0.4
121.10117	0.3
175.92326	0.3
193.12183	0.3
195.93369	0.2
225.10979	0.6
251.12521	2.7
269.13583	6.2
307.15170	1.4
313.27292	1.5
325.16220	2.8
400.30508	0.2
421.94626	0.3
489.36368	0.3
531.39703	0.3
537.37555	0.5
563.39166	4.1
581.40234	100.0
582.40710	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.7
57.07070	2.6
66.76624	0.6
67.05504	0.9
69.07076	1.4
70.16599	0.6
71.08621	1.7
79.05495	0.8
81.03412	0.8
81.07051	2.5
83.08604	1.2
93.07014	0.9
95.08601	2.1
105.07026	1.1
109.10142	0.8
119.08612	0.9
145.10086	0.7
193.12329	1.0
251.12637	0.9
269.13660	6.3
290.06711	0.7
298.85724	0.6
313.27402	1.2
325.16342	3.0
337.27478	1.4
356.67038	0.8
547.39972	0.8
563.39380	1.5
581.40271	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	582.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
57.03436	0.9
65.84678	0.5
69.03444	2.5
69.97186	2.0
73.02931	0.7
78.43118	0.5
81.03408	2.2
85.02906	8.8
91.05470	1.6
92.58045	0.5
94.04184	2.3
96.32562	0.6
97.02892	3.0
99.04494	0.6
109.02882	0.8
121.06493	1.4
122.03654	6.0
127.03955	1.9
131.04886	0.8
136.05225	0.9
137.05978	100.0
145.04924	1.6
145.06566	1.0
147.08031	0.8
148.05170	1.3
149.05995	1.7
151.07541	8.0
160.05113	0.5
161.06004	3.8
163.07578	1.6
165.05466	3.5
166.06271	4.4
167.07024	1.0
173.05954	1.0
174.06783	0.8
175.07570	7.1
176.08330	16.4
176.09883	1.0
177.05461	5.2
177.09114	1.6
179.07033	6.3
180.08707	1.5
181.08595	15.0
187.07500	1.7
188.08330	1.1
189.03700	0.5
189.09058	3.0
190.09978	1.0
191.07045	1.4
192.07800	2.3
201.09175	1.0
202.10030	0.7
203.07092	0.8
204.07819	1.4
205.08632	1.4
207.10165	26.1
217.08597	0.9
219.10100	2.9
221.11737	0.7
231.10072	0.9
235.09624	1.0
249.11185	3.0
261.09061	0.9
265.12198	0.9
267.09686	1.0
267.12308	14.8
277.08575	0.8
279.12280	2.0
291.06262	0.5
291.09946	0.6
293.11725	2.0
294.12445	1.2
304.10983	2.0
305.11621	1.9
314.11554	0.6
320.10471	1.0
321.11169	2.0
325.14410	3.2
335.12720	9.1
336.13638	3.3
353.13824	13.2
354.14429	0.6
355.15820	0.6
367.15384	4.9
385.16461	37.4
403.17511	42.9
404.17981	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.0
62.86584	0.8
67.05500	4.6
69.06651	0.8
69.07055	3.1
71.24301	0.6
71.53066	0.8
81.07050	2.4
82.56165	0.7
87.90551	0.7
89.76118	0.7
91.05477	1.3
93.07036	2.2
95.08607	24.7
97.10159	1.9
99.08038	0.7
103.56068	0.6
105.07018	1.4
107.04948	1.4
109.10164	1.1
111.08077	1.7
117.06947	1.0
121.06482	1.0
121.10086	0.8
127.21702	0.7
131.08557	0.7
133.06506	13.7
137.05997	2.3
145.06482	8.2
146.07234	0.8
147.08049	2.8
149.09598	2.4
151.07512	5.4
153.05501	1.2
153.06969	1.1
157.06476	19.5
159.08054	2.5
161.05995	0.9
161.09618	1.6
165.06969	1.6
169.06544	0.8
171.08046	3.6
173.09557	1.3
175.07758	1.5
175.11185	41.1
177.09093	2.2
179.08470	1.0
183.08058	13.9
184.07309	0.9
184.08797	1.8
185.09586	1.4
187.11182	4.7
189.09105	1.9
189.12758	3.5
196.08801	0.9
197.09637	9.6
198.10400	1.1
199.11177	35.7
201.12720	6.8
203.14281	1.2
211.11127	1.5
213.12752	2.0
215.14334	1.6
221.05994	2.2
225.09340	1.0
225.12773	4.4
227.14328	1.6
229.15935	2.4
238.13626	1.5
239.14322	33.4
241.15871	37.0
243.17523	0.8
253.08582	1.7
255.17285	1.1
257.15335	3.5
267.10126	1.6
271.20563	25.8
281.19006	30.0
281.22153	1.4
285.11215	7.2
299.20056	100.0
351.15942	2.8
369.16965	3.2
374.51663	0.7
397.16718	0.8
469.76550	0.7
503.20563	2.1
521.21741	13.6
523.04095	0.8
599.46912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.8
57.07074	6.3
62.91562	3.9
65.03941	5.5
66.46642	3.5
67.05502	14.0
69.03432	7.3
69.07063	14.0
70.80873	10.4
74.11510	3.5
79.05499	14.5
81.07066	26.4
83.04971	3.7
83.08617	5.2
91.05486	30.7
93.07057	31.6
95.04969	45.7
95.08624	17.1
103.05502	3.9
103.65643	3.6
105.07040	54.5
107.08614	31.0
109.06502	10.5
109.10160	11.4
117.07039	13.6
119.08597	50.4
120.09362	3.8
121.06492	4.7
121.10162	32.4
123.08054	13.7
123.11681	6.3
124.23490	3.5
128.06213	10.7
129.07021	10.6
130.07738	7.6
131.08583	36.0
132.09373	4.4
133.06548	4.2
133.10149	28.0
135.08034	10.6
135.11649	8.5
137.09608	6.9
141.06993	9.0
142.07773	13.3
143.08566	41.5
144.09363	4.1
145.10139	52.2
147.08031	9.4
147.11681	17.3
149.09637	9.0
152.11597	3.4
155.08566	16.4
156.09360	13.4
157.10153	39.5
158.10918	8.2
159.08040	10.1
159.11732	17.1
161.09608	15.7
165.07010	6.1
166.07880	5.4
167.08537	10.0
167.10692	12.0
168.09380	8.5
169.10159	25.6
170.10814	4.8
171.08047	6.9
171.11707	26.9
173.09650	11.6
173.13264	10.3
175.11246	5.8
178.07866	4.3
179.08540	9.9
180.09351	6.0
181.10155	18.2
182.10928	5.7
183.11710	21.6
185.09601	7.8
185.13300	9.0
187.11128	8.2
187.14909	7.3
188.11960	4.5
189.12735	6.5
191.14323	5.8
192.09303	5.3
193.10147	14.3
194.10924	7.9
195.11653	18.5
196.12526	5.6
197.09526	4.0
197.13266	17.4
199.11151	9.0
199.14868	6.4
201.12724	4.0
205.10149	5.1
206.10973	5.7
207.11807	16.9
209.13272	14.7
211.11201	9.2
211.14783	10.7
213.12720	4.5
217.10213	4.4
218.10942	5.3
219.11670	11.3
220.12408	4.8
221.13217	12.9
221.15141	4.5
223.11211	6.6
223.14828	11.2
225.12767	9.4
227.14362	11.9
229.18768	4.3
231.11668	9.0
232.12485	4.4
233.13251	7.7
233.15331	5.9
235.14818	8.9
236.11702	3.9
237.12740	5.7
239.14372	6.2
239.18034	5.3
241.16014	6.0
247.14938	6.9
249.16370	4.0
253.15977	6.5
257.13162	4.1
259.14804	5.5
261.16266	6.1
263.17981	5.2
265.16055	5.3
271.17126	4.8
273.18582	46.9
286.19220	4.2
289.15955	8.1
291.17328	4.6
299.20084	15.5
319.20471	5.2
325.21555	8.4
337.21716	20.6
351.23096	7.3
352.24014	100.0
363.23083	7.6
365.24661	6.7
444.30307	38.0
445.31113	6.0
490.34415	17.8
582.40399	89.2
582.50116	5.5
582.54712	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	582.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
55.05510	18.9
56.88428	1.5
57.03438	12.2
57.07068	4.1
67.05508	46.2
68.05847	2.5
69.03419	2.8
69.07070	21.8
69.19714	11.8
69.20127	3.1
71.04968	2.9
71.08636	3.3
71.31139	1.6
79.05492	18.2
81.03421	38.9
81.06598	2.8
81.07060	46.7
82.07381	1.7
83.04986	9.8
83.08621	22.3
85.02901	14.2
85.06530	3.5
87.04471	1.9
91.05489	19.4
93.07053	19.2
94.07421	2.2
95.04963	15.1
95.08607	34.0
96.08962	2.2
97.06519	5.1
97.10164	8.3
105.07035	15.8
107.04941	3.1
107.08614	11.7
108.08977	1.8
109.06517	4.2
109.10162	12.0
111.08058	5.2
113.06020	2.8
115.05389	1.6
117.06998	2.7
119.08572	13.1
121.10133	11.2
123.11683	5.1
129.06998	4.7
131.08569	7.2
132.44963	1.6
133.10152	8.9
133.91997	1.7
135.11682	5.0
136.12015	3.4
137.09608	2.9
145.10095	3.6
147.11679	7.3
149.09637	3.6
157.10123	7.8
163.11147	4.0
175.11186	9.0
190.88089	1.6
193.12254	23.6
211.13303	36.9
227.12805	6.5
228.13049	3.5
249.14964	2.0
263.23697	2.8
267.15997	6.0
283.15295	2.7
283.26334	7.1
284.15762	5.5
285.17001	41.4
298.69180	2.2
337.23206	3.1
337.27371	87.0
338.27847	9.0
339.28030	6.5
529.38629	7.0
547.39911	100.0
582.27917	3.6
582.40259	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	582.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
55.01880	2.5
55.05277	1.7
55.05517	24.9
57.03204	1.4
57.03448	15.3
57.07067	5.2
65.03937	2.1
67.05509	59.6
69.03436	3.6
69.07072	26.0
69.48048	3.2
69.48458	5.7
71.04989	3.7
71.08637	3.1
74.73316	1.2
79.05498	29.1
81.00417	1.4
81.03425	41.5
81.07063	66.4
83.04985	10.4
83.08633	26.4
85.02906	16.5
85.06573	1.8
91.05488	31.5
93.07063	21.9
95.04975	18.3
95.08612	39.8
97.06536	4.9
97.10157	6.4
98.20786	2.9
105.07041	23.5
107.04958	6.0
107.08597	9.2
109.06515	5.2
109.10157	12.5
110.79694	1.4
111.08096	9.0
111.11749	2.3
113.05975	1.6
115.79115	1.3
117.07010	2.7
119.08582	18.5
121.10156	12.3
123.01759	1.3
123.08092	2.2
123.11713	7.0
125.09661	2.2
129.07022	6.5
131.08591	8.2
133.06470	2.8
133.10155	12.9
134.83330	1.2
135.11716	3.5
137.09641	2.0
142.07771	1.9
145.10118	2.2
147.08064	1.6
147.11690	13.7
149.09639	3.3
149.13272	2.0
157.10136	10.7
161.13243	1.8
165.12891	1.7
169.07722	1.3
175.11169	8.3
193.12268	32.1
211.13297	44.9
245.22737	2.8
246.73247	1.4
252.16132	1.8
263.23657	2.9
267.15976	11.1
269.13605	1.9
285.16989	40.1
337.27380	100.0
338.27948	1.5
401.87732	1.4
455.35394	1.4
529.39001	14.7
547.39984	75.7
582.40601	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01876	2.5
55.05516	18.5
57.03438	11.8
57.07063	2.8
65.03914	1.5
67.05510	44.8
69.03433	3.5
69.07077	19.0
69.20848	6.4
69.21281	5.5
71.04984	5.6
71.08630	1.4
76.36514	1.3
79.05495	18.2
81.03425	38.5
81.06594	2.5
81.07063	46.0
83.04978	8.3
83.08626	22.6
85.02914	13.0
85.06539	2.5
87.79553	1.2
89.14897	1.2
91.05487	20.6
93.07057	19.3
94.07363	1.5
95.05008	13.8
95.08608	32.6
97.02901	1.9
97.06533	4.4
97.10204	6.8
105.07040	12.9
105.26751	1.5
107.04984	2.3
107.08608	9.1
109.06556	2.9
109.10181	11.3
111.04436	1.7
111.08109	6.4
115.36359	1.2
119.08585	14.1
121.06483	1.7
121.10127	10.8
123.08038	1.6
123.11745	6.4
125.09619	2.5
129.07011	6.1
131.08586	6.7
133.06505	1.6
133.10162	7.0
135.11673	3.4
137.09607	1.8
145.10164	1.8
147.11673	12.2
149.09613	3.2
157.10164	8.7
161.13231	2.2
163.11232	2.2
164.09445	1.3
165.12863	1.7
175.11208	6.5
182.16634	1.3
193.12257	24.8
206.68962	1.3
211.13281	35.7
227.12840	2.3
228.13022	1.6
245.22554	1.4
267.15988	8.0
283.26245	6.8
284.15607	2.7
285.16992	33.9
313.41220	1.5
337.27399	82.9
338.27695	5.3
339.28207	3.0
372.17694	1.4
529.38818	6.6
547.39917	100.0
582.27667	4.1
582.40326	11.3
591.60187	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
55.01863	4.6
55.05516	34.1
57.03441	22.7
57.07067	3.9
59.05001	1.4
65.03934	4.1
67.05508	75.3
69.03420	5.4
69.07071	30.7
69.47872	6.6
69.48281	3.4
71.04991	8.0
79.05499	40.8
81.03422	67.0
81.07061	79.9
83.04983	18.2
83.08627	30.1
84.57763	1.4
85.02907	25.3
85.06529	3.3
91.04907	2.6
91.05484	45.5
93.07053	31.5
95.04971	28.2
95.08609	49.6
97.02852	2.9
97.06525	6.4
97.10171	10.6
99.04470	1.5
99.08073	3.6
105.04434	1.5
105.07034	32.3
107.04924	6.9
107.08581	16.7
109.06517	6.3
109.10162	19.3
111.04459	2.1
111.08087	11.1
113.05984	2.9
115.79823	1.4
119.08590	24.9
119.09394	2.9
121.06419	1.7
121.10154	15.2
123.08039	4.2
123.11733	8.2
125.09616	2.3
129.07030	12.8
131.08583	13.2
133.06502	3.4
133.10124	19.5
135.11656	4.6
137.09624	2.1
137.13242	2.8
137.87059	1.6
137.88153	1.6
142.07832	3.0
144.97894	1.5
145.10052	3.5
147.08049	3.7
147.11708	18.4
149.09584	6.6
149.13290	1.9
157.10132	17.0
161.13261	3.1
163.14795	1.7
165.12762	2.5
175.11198	14.9
175.14789	2.3
193.10446	2.2
193.12241	54.8
211.13297	81.5
263.23657	3.9
267.15924	17.6
285.16974	86.9
337.27383	100.0
366.23898	1.9
437.34683	1.6
529.38855	14.5
547.39954	78.6
582.40704	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	583.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
63.96874	0.4
65.03923	1.1
67.05501	0.7
68.99747	0.4
69.03422	0.5
78.04696	1.1
78.60049	0.5
79.05484	1.3
81.03409	1.4
81.07048	0.8
85.02895	0.6
85.29788	0.4
91.05493	2.5
93.03374	0.7
93.07074	0.6
94.04196	2.3
95.04954	0.8
97.02935	0.4
97.06519	0.6
105.07024	1.1
106.04210	0.5
107.04919	1.9
110.03668	0.9
115.05457	3.3
116.06100	0.4
117.07020	2.6
119.04977	0.8
119.08572	0.7
122.03658	6.6
123.04434	2.2
124.05241	0.9
125.05968	0.6
127.03960	0.5
127.05412	0.5
131.04962	0.9
131.08546	0.5
133.06491	1.1
137.05981	100.0
138.03249	0.4
138.06340	0.5
143.04930	11.7
144.05699	0.4
145.06467	3.1
147.04420	1.4
147.08066	1.5
151.03920	9.4
151.05006	0.9
151.07516	1.0
152.04684	0.6
153.05466	1.5
155.06029	1.0
161.05994	2.0
167.07043	33.7
168.07373	0.5
173.05983	4.8
175.07547	2.8
177.05515	0.7
181.04968	14.3
181.06572	0.9
181.08543	0.6
190.06296	0.8
191.07014	0.8
193.08604	1.1
203.07065	2.5
205.08626	4.6
207.06581	1.1
217.08624	0.7
221.08080	0.9
233.08115	1.3
235.07521	0.9
235.09598	3.5
241.08763	0.8
247.09743	0.5
280.07147	0.5
295.09732	0.6
301.10764	0.5
307.09781	0.5
327.12396	1.0
329.10089	1.0
331.12018	0.6
337.10748	0.5
355.11749	4.2
357.13330	8.9
363.12231	0.5
385.12595	0.6
387.14389	49.5
411.14386	0.7
459.16809	1.9
553.20435	0.9
565.20538	2.0
583.21753	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	583.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00706	0.4
53.03946	0.6
55.01865	0.5
65.03938	1.6
67.05473	0.7
71.51808	0.7
78.04714	1.0
79.05496	1.3
81.03411	1.3
81.07063	1.0
85.02903	0.9
91.04958	0.4
91.05481	2.7
93.03417	0.5
94.04191	2.4
95.04942	0.9
96.29031	0.4
97.02911	0.5
103.05478	0.8
105.07021	1.1
107.04948	2.3
107.08553	0.5
110.03606	0.5
115.05444	4.0
117.07038	3.7
119.04950	1.4
119.08579	0.9
121.06538	0.4
122.03661	6.6
123.04455	2.2
124.05183	1.0
125.05952	0.9
128.06305	0.5
129.07002	0.7
131.04964	1.1
133.02876	0.5
133.06485	1.4
135.04449	0.4
137.05983	100.0
141.05502	0.5
143.04929	10.2
143.06006	0.8
145.06491	3.1
147.04424	1.3
147.08061	1.0
149.05984	0.8
151.03922	8.5
151.05026	0.9
151.07533	0.9
153.05479	1.1
155.06084	1.1
159.08110	0.5
161.05965	2.3
164.49207	0.4
165.05547	0.6
167.07053	29.7
173.06006	4.2
175.07561	3.0
177.05518	1.0
179.07033	1.2
181.04950	12.6
181.06509	0.7
187.07602	0.8
190.06267	1.0
191.07169	0.6
193.08627	0.7
203.07039	2.7
205.08574	4.5
207.06531	1.4
207.10210	0.7
211.07521	0.5
217.08650	1.0
219.10208	0.7
221.08110	0.5
233.08116	1.3
234.06505	0.5
235.07512	0.7
235.09641	4.6
241.08601	0.8
263.07199	0.5
265.08408	0.5
295.09503	0.7
307.09512	0.7
325.10727	0.6
327.12445	0.9
329.10205	0.9
331.11807	0.7
337.10773	0.5
343.11514	0.4
355.11688	3.3
357.13293	8.0
373.12271	0.5
381.13358	0.7
387.14404	53.6
426.10724	0.5
459.16489	1.6
553.20563	1.4
565.20734	1.9
583.21606	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	583.3607
Annotation	Camangeloyl acid
Peak:m/z	Relative Intensity
50.39022	0.6
55.05497	1.8
57.03413	1.2
67.05506	5.9
69.07066	2.3
78.89299	0.6
79.05485	3.0
81.07066	6.3
83.08628	1.3
90.04568	0.7
91.05468	3.5
93.07063	3.6
95.04957	0.8
95.08605	4.7
105.07005	2.8
107.08583	2.3
109.06517	0.9
109.10171	1.5
113.67711	0.6
117.06938	0.8
119.08590	2.8
119.74711	0.7
119.94863	0.6
121.10140	2.6
123.11708	0.7
131.08528	1.8
131.65451	0.7
133.10130	1.6
135.11699	1.0
145.10100	1.4
157.10129	1.3
159.11690	1.0
163.11218	1.3
165.09077	1.0
167.08557	0.7
171.11670	0.8
181.12244	1.0
187.11311	0.8
197.13199	0.8
209.13098	0.7
221.15485	0.9
249.11000	27.3
300.79648	0.6
305.13583	3.0
335.26120	1.4
548.40125	1.3
565.40759	0.9
583.35931	100.0
584.35815	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	583.4151
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
53.03952	1.6
54.74567	1.1
55.05518	7.8
57.07075	4.8
67.05508	13.6
69.03432	2.6
69.07062	6.0
71.53152	1.8
79.05502	9.0
81.03416	3.1
81.07060	14.2
83.04963	1.4
83.08621	2.1
85.06570	2.0
88.12726	1.2
91.05478	13.1
92.05745	1.3
93.07053	19.3
95.04970	4.4
95.08612	20.7
96.62707	1.2
97.06540	1.9
97.10194	1.6
101.95779	1.2
105.04533	1.3
105.07034	25.2
107.04952	1.9
107.08598	12.0
109.06534	3.1
109.10139	7.6
116.07094	2.0
117.07040	5.4
119.08593	23.7
121.06530	4.0
121.10162	15.5
123.08057	10.7
123.11691	2.0
128.06244	2.7
129.07022	4.9
130.07835	1.4
131.08549	9.6
133.06494	1.4
133.10124	12.6
135.08099	4.2
135.11707	3.5
137.09607	6.4
141.07034	2.2
142.07741	7.3
143.08571	13.4
144.09338	1.6
145.10133	13.3
147.08037	11.9
147.11705	4.9
149.09572	2.1
151.07550	10.6
155.08614	3.6
156.09308	6.0
157.10149	15.4
158.10895	2.5
159.08142	1.4
159.11737	9.3
161.09669	3.7
161.13319	3.5
163.11200	3.8
165.07066	2.2
165.09123	23.3
167.08527	2.7
168.09354	1.8
169.10133	7.7
170.10902	2.8
171.11700	9.5
172.12468	1.5
173.09666	1.9
173.13269	8.1
175.11292	1.8
175.14883	2.3
177.09081	1.5
179.08655	3.9
180.09415	1.6
181.10185	4.5
181.12344	2.7
182.10971	2.8
183.11732	8.3
184.08817	1.2
185.13248	8.5
187.14897	3.1
187.37347	1.4
189.12787	4.9
191.14287	2.3
193.10220	5.1
194.10973	2.9
195.11612	6.5
196.12454	1.7
197.13289	9.8
199.14836	3.1
203.14322	12.0
206.10960	1.6
207.11778	5.1
207.13858	5.6
208.12492	3.3
209.13284	8.7
209.15088	1.5
210.14024	2.2
211.14851	4.1
213.12700	1.5
213.16336	1.3
217.15895	1.5
219.11769	2.8
219.17494	2.4
221.13280	7.7
221.15324	36.8
223.14822	5.0
227.17966	1.3
231.11827	2.3
233.13298	2.0
233.15361	1.7
235.14894	4.1
237.16414	3.4
239.18018	2.4
245.13274	2.3
246.14218	1.5
247.14882	3.2
247.17133	1.9
249.16496	3.5
251.18030	2.0
253.19658	2.5
257.19083	1.8
259.14639	3.2
261.16406	2.9
263.17911	2.0
264.38345	1.4
265.19586	2.5
268.16098	1.6
275.18018	2.1
277.19531	2.6
279.21216	2.3
283.20575	3.5
287.20200	2.0
295.20636	2.0
297.22180	2.9
299.20175	1.8
315.21234	1.5
349.25226	2.2
357.25934	2.0
365.24683	2.1
375.26920	5.2
403.29712	7.5
503.35031	4.0
509.34329	1.6
530.39508	2.4
547.39453	1.8
565.40424	29.2
583.41553	100.0
584.42065	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.2
53.03940	4.1
55.01869	0.9
55.05516	11.9
57.07078	7.2
59.04999	4.1
65.03944	2.2
67.05508	15.8
69.03443	4.8
69.06727	1.4
69.07073	14.8
69.98370	2.2
69.98762	1.6
71.04991	0.9
77.03922	0.9
79.05498	16.7
81.03427	1.1
81.07065	23.2
83.04986	4.8
83.08624	7.0
85.06540	4.2
91.04910	1.2
91.05486	33.1
93.07055	37.8
93.56285	0.8
95.04971	6.7
95.08615	27.5
97.06531	5.2
97.10156	1.1
103.05471	1.7
105.04535	1.8
105.07040	51.2
107.04975	1.2
107.08607	33.2
109.06551	5.5
109.10162	15.7
111.08093	1.6
111.93224	0.9
115.05482	2.7
116.06257	1.4
117.07047	11.9
119.08595	50.2
121.06499	4.4
121.10161	29.7
123.08077	14.9
123.11719	3.9
125.06019	2.3
125.09647	1.2
128.06235	8.9
129.07031	10.4
130.07816	5.7
131.08582	22.8
133.06554	2.2
133.10143	24.8
135.08069	7.7
135.11700	9.9
137.09636	8.5
139.11214	1.4
141.07002	6.0
142.07794	15.9
143.08574	28.5
144.09358	5.3
145.10139	37.9
147.08073	13.8
147.11688	9.9
149.09662	5.3
149.13280	2.2
151.07571	12.5
151.11198	1.7
153.07025	2.9
154.07793	2.5
155.08577	12.5
156.09378	11.7
157.10153	37.2
158.10954	5.0
159.08054	2.5
159.11708	19.3
161.09671	6.3
161.13266	5.6
163.11165	4.8
165.07040	5.3
165.09134	24.7
166.07848	2.2
167.08589	6.2
167.10678	10.9
168.09343	5.5
169.10135	20.6
170.10905	7.0
171.11702	24.0
172.12503	1.1
173.09648	2.9
173.13278	16.2
175.11200	2.9
175.14886	5.9
177.12885	1.2
178.07848	1.1
179.08598	9.1
180.09393	4.5
181.10146	11.0
181.12115	4.5
182.10915	8.2
182.46259	1.0
183.11710	19.5
183.13242	1.4
184.12457	5.0
185.09662	1.4
185.13313	11.2
187.11186	2.3
187.14780	4.6
189.12750	5.7
189.16283	1.0
191.08707	1.2
191.14297	4.4
192.09338	3.7
193.10156	11.6
194.10925	8.2
195.11722	17.3
196.12498	5.9
197.13277	15.3
198.13972	1.2
199.11168	1.3
199.14847	11.2
201.12726	1.6
201.16464	2.4
203.08667	1.0
203.14351	13.4
204.09360	0.9
205.10156	2.8
205.15839	1.5
206.10884	5.0
207.11760	15.6
207.13850	6.1
208.12508	4.8
209.13287	21.5
209.15175	1.9
210.14020	2.6
211.11325	1.1
211.14807	8.1
213.12781	1.9
213.16440	3.3
215.14351	1.6
217.10139	2.6
217.15839	5.9
217.17738	1.0
218.10971	1.8
219.11813	5.2
219.13643	0.9
220.12514	5.5
221.13287	11.7
221.15437	44.5
222.14072	3.4
223.11421	1.1
223.14827	9.6
224.15643	2.5
225.12851	1.5
225.16425	4.8
227.14380	1.8
229.10201	2.0
230.10930	1.2
231.11752	3.9
231.13882	1.2
231.17488	2.7
232.12495	2.2
233.13275	9.4
233.15446	3.5
234.14084	4.1
235.14824	8.6
236.15671	1.7
237.12836	1.6
237.16425	6.4
239.14404	2.1
239.18044	3.9
241.15880	1.5
243.11714	2.2
244.12518	1.6
245.13269	5.5
246.14056	3.7
247.14885	7.1
247.17097	2.7
248.15651	2.5
249.16452	8.5
250.17227	1.5
251.18022	3.5
253.19598	1.1
255.17624	1.7
257.13403	1.6
257.19019	5.7
258.14151	2.7
259.14734	5.0
260.15671	4.4
261.16360	7.3
262.17136	1.3
263.18033	4.8
265.19638	6.6
265.25403	2.0
267.17514	1.0
269.19037	2.8
271.14798	1.2
271.20410	2.1
272.15555	1.2
273.16501	3.9
274.17007	1.8
275.17935	5.8
276.18808	1.3
277.19559	3.8
279.21198	1.4
281.19122	2.1
282.14011	1.2
283.20621	10.1
285.16315	1.8
286.19553	1.6
287.17676	2.1
287.20264	3.0
288.18784	1.2
289.19620	3.5
293.19016	2.0
295.20651	2.8
297.22171	3.0
300.21136	1.2
301.19357	1.8
303.21158	1.5
305.22556	1.1
307.20691	1.3
315.20874	1.2
317.22696	1.9
319.20508	1.1
329.22894	3.0
331.24252	5.3
333.22205	2.0
335.23901	1.2
339.29095	1.9
341.22766	1.2
343.24606	1.3
345.22162	1.1
347.23837	2.2
349.25290	5.0
352.23730	2.0
355.24280	1.3
357.25754	1.8
359.23517	1.0
361.25345	2.0
365.24631	1.9
375.26758	4.4
403.30090	5.9
485.34525	1.1
491.35233	2.9
503.35406	4.1
509.34488	1.7
547.39526	2.6
565.40387	21.5
583.41510	100.0
592.92841	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.05514	15.3
57.07076	12.0
59.05004	3.6
65.03944	3.5
67.05507	24.7
69.03426	8.5
69.07076	19.9
69.72713	8.2
77.03915	2.0
79.05497	24.7
81.07058	37.2
83.04980	7.8
83.08623	10.4
85.06555	7.9
88.76871	1.3
91.05482	53.1
93.07046	59.7
95.04962	12.1
95.08611	35.5
97.06542	4.9
103.05457	2.9
105.04566	1.4
105.07034	76.8
105.54548	1.3
107.08596	47.7
107.09309	2.5
109.06518	11.4
109.10159	20.9
111.08111	4.8
113.93697	1.7
115.05466	5.1
116.06267	3.9
117.07032	17.5
119.08586	85.7
121.06543	5.0
121.10144	47.9
121.11025	1.4
122.07315	1.4
123.08073	14.4
123.11721	6.1
125.06030	4.9
125.09612	1.8
128.06230	12.0
129.07013	19.5
130.07813	8.4
131.08568	36.1
132.09393	2.2
133.06538	4.8
133.10130	42.0
133.11101	2.3
135.08067	11.4
135.11688	15.7
137.09622	9.0
139.11218	3.1
141.06982	10.5
142.07790	23.6
143.08569	43.3
144.09326	8.7
145.06583	1.6
145.10124	57.3
147.08054	15.3
147.11682	19.3
147.12614	1.5
149.09653	7.0
149.13283	3.8
151.07530	12.0
151.11211	1.7
153.07040	4.4
154.07779	3.3
155.08528	18.6
155.09518	1.5
156.09354	19.2
157.10130	57.8
158.10944	9.1
159.08084	6.4
159.11702	25.9
160.08887	2.3
161.09644	5.1
161.13280	8.0
163.11169	11.3
163.14838	1.6
165.07039	7.9
165.09109	30.2
166.07831	3.1
167.08574	13.0
167.10674	14.7
167.95248	1.3
168.09386	9.6
169.10118	28.9
170.10915	9.1
171.08057	1.6
171.11688	32.0
172.12550	3.1
173.09650	4.1
173.13284	26.9
175.11244	4.2
175.14839	10.1
177.09187	1.6
178.07832	2.3
179.08557	13.8
180.09372	7.7
181.10152	19.0
181.12224	10.9
182.10890	9.2
183.11719	29.5
183.13242	2.5
184.12436	7.9
185.13275	20.6
187.11255	2.8
187.14867	10.2
189.12794	5.8
191.08698	2.8
191.14307	10.4
192.09322	7.1
193.10144	16.9
194.10925	13.0
195.11725	22.8
195.13469	2.5
196.12538	4.9
197.13251	23.8
198.14069	1.8
199.11237	2.3
199.14790	15.6
201.12820	2.6
201.16455	3.9
203.08655	1.7
203.14325	13.3
204.09477	2.2
205.10202	6.4
206.10947	8.4
207.11772	18.5
207.13887	7.8
208.12486	7.8
208.75122	1.4
209.13275	30.6
209.15126	2.4
210.14078	4.7
211.11142	1.8
211.14799	12.3
213.12837	2.3
213.16444	5.5
215.14288	2.2
216.09369	2.3
217.10214	3.6
217.15854	10.8
218.11015	3.7
219.11702	9.2
219.17500	2.1
220.12593	5.7
221.13312	19.7
221.15462	62.7
222.14131	3.7
223.14793	15.6
224.15660	2.5
225.12747	2.2
225.16461	7.7
227.14384	2.6
229.15800	1.7
230.10973	4.7
231.11766	8.5
232.12526	5.2
233.13321	11.4
233.15488	7.8
234.14069	5.6
235.14844	12.5
235.16936	2.1
236.15627	3.5
237.12775	3.1
237.16348	10.4
239.14401	2.3
239.18010	5.2
241.15929	2.9
243.11748	4.6
243.17519	2.5
244.12593	3.7
245.13231	7.1
246.14056	4.5
247.14854	12.7
247.17081	2.4
248.15639	2.5
249.16475	10.4
250.17232	3.1
251.18042	6.0
253.15912	2.4
255.11763	1.7
255.17503	1.7
257.13293	2.8
257.19009	10.9
258.14191	3.2
259.14932	6.3
260.15680	6.5
261.16278	11.1
262.17206	2.4
263.18112	6.2
265.17117	1.7
265.19476	9.4
267.17627	2.9
269.19107	4.3
270.76373	1.5
271.14844	3.1
271.17664	1.8
271.20685	3.3
272.15604	1.7
273.16193	7.0
274.17224	3.0
275.17920	14.5
276.18900	1.8
277.19547	3.4
279.21109	1.9
281.19019	2.7
283.15042	1.5
283.20563	15.7
285.18909	2.0
287.17987	4.3
287.20453	2.9
289.19504	4.1
291.21231	4.2
293.19107	3.3
295.20700	4.1
297.22272	3.8
300.21054	4.2
301.19272	1.9
303.21194	2.9
307.20959	2.3
309.22314	2.2
315.21274	1.9
317.23026	1.6
327.21268	1.6
329.22647	1.8
331.24002	7.6
333.22144	1.9
335.23599	2.0
347.23724	1.6
349.25333	8.6
351.23508	1.4
357.25891	2.4
361.25412	3.6
365.24869	2.7
369.26138	1.8
372.41452	1.5
375.26959	4.7
385.29178	1.8
391.25781	1.7
403.30295	3.4
427.30276	1.6
446.32043	1.7
463.32321	1.5
473.34476	3.1
491.35205	8.9
503.35342	4.4
547.39288	2.4
565.40259	21.1
583.41638	100.0
603.16925	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.05518	11.6
57.07077	6.2
59.04986	1.4
65.03945	2.6
67.05505	17.0
69.03427	5.7
69.07069	14.9
69.42825	3.3
69.43253	3.8
71.05006	1.1
75.72748	0.8
79.05499	17.4
81.07059	23.6
83.04985	6.0
83.08630	7.2
85.06566	4.7
91.05483	32.1
93.07048	41.0
94.04280	0.9
95.04969	6.8
95.08612	29.0
97.06548	4.6
97.10181	1.9
98.20818	2.1
102.86474	0.8
103.05495	2.7
105.04520	2.5
105.07036	51.7
107.08604	32.9
109.06517	7.2
109.10162	17.3
111.04379	0.9
111.08083	2.4
111.11731	1.5
113.09625	1.3
115.05460	4.4
116.06274	1.4
117.07030	11.0
119.08590	61.7
121.06506	3.5
121.10152	41.7
123.08073	11.7
123.11730	5.1
125.06004	2.8
125.09666	3.6
128.06212	7.6
129.07004	12.0
130.07811	6.1
131.08574	26.0
133.06554	1.5
133.10139	31.0
135.08058	6.6
135.11696	10.4
136.49837	1.1
137.09596	6.3
139.11215	2.8
141.07005	6.7
142.07785	19.3
143.08571	29.5
144.09343	6.1
145.10129	39.3
147.08055	8.4
147.11703	11.7
147.12791	1.3
149.09636	7.7
149.13269	3.3
151.07573	12.0
151.11150	1.3
153.07018	3.1
154.07771	2.5
155.08562	12.7
155.10625	2.0
156.09338	13.3
157.10144	36.9
158.10936	6.2
159.08121	4.3
159.11693	20.6
161.09630	5.3
161.13293	4.2
163.11208	5.5
165.07014	4.2
165.09128	12.3
165.12791	0.9
166.07816	2.6
167.08592	9.7
167.10683	18.9
168.09288	4.9
169.10130	20.9
170.10912	6.6
171.11707	24.3
172.12469	3.0
173.09633	4.3
173.13263	16.4
175.11224	3.1
175.14847	7.3
177.09155	1.8
177.12766	1.4
178.07796	2.2
179.08562	11.4
179.10057	1.1
179.10809	1.2
180.09410	3.7
181.10117	12.1
181.12088	5.2
182.10886	6.7
183.11708	21.2
183.13237	1.5
184.12431	4.5
185.09625	1.6
185.13287	11.3
187.11238	2.3
187.14857	6.8
189.12752	7.1
191.08669	1.2
191.14282	6.4
192.09282	4.5
193.10143	10.3
193.11899	1.3
194.10907	7.9
195.11688	18.3
195.13425	1.3
196.12411	5.2
197.13263	16.0
198.14040	2.2
199.11188	1.2
199.14844	10.4
201.16422	3.0
203.08504	1.3
203.14317	4.8
204.09311	1.5
205.10136	4.5
206.10919	7.0
207.11752	15.2
207.13820	7.2
208.12471	5.2
209.13281	19.8
209.15105	1.1
210.14099	4.0
211.14810	9.6
213.12828	1.6
213.16406	2.8
215.14386	3.5
217.10178	2.6
217.15872	5.7
218.11049	2.7
219.11711	6.4
219.17503	1.4
220.12546	4.0
221.13295	13.4
221.15445	25.9
222.14001	3.1
223.14828	11.6
224.15535	2.0
225.12823	1.4
225.16432	4.2
227.14337	2.0
227.18047	1.4
229.10121	1.5
229.15953	2.0
231.11769	4.9
231.13870	1.6
232.12503	3.2
233.13255	6.2
233.15460	7.8
234.14128	2.7
235.14906	8.2
235.17033	1.3
236.15614	2.7
237.12906	1.2
237.16411	6.1
239.14389	1.9
239.18066	2.7
241.15938	1.6
243.11809	2.2
243.17577	1.4
244.12480	2.5
245.13269	6.0
246.14088	3.0
247.14792	6.8
247.16969	1.1
248.15651	3.0
249.16360	8.1
250.17245	2.0
251.17915	5.4
253.15897	1.1
253.19572	1.9
255.17445	1.9
257.13278	2.2
257.19095	5.2
258.14090	2.6
259.14862	5.3
260.15628	2.5
261.16348	6.6
262.17212	1.2
263.17969	5.2
265.16315	1.0
265.19626	4.4
267.17657	1.6
269.13315	1.2
269.19077	5.8
270.14026	1.2
271.14761	2.0
271.20676	2.0
272.15540	1.1
273.16382	3.4
274.17001	1.5
275.15311	1.5
275.17899	7.4
276.18732	1.0
277.19571	3.6
279.17566	1.5
279.20966	2.0
281.18994	1.6
283.14972	1.5
283.20630	9.8
285.16382	2.8
285.19037	1.4
285.22162	1.1
287.17798	1.1
289.19492	5.0
291.17474	1.5
291.21191	1.3
293.19058	2.2
295.20581	3.5
297.22290	3.1
299.20352	1.5
301.19366	1.9
307.20609	2.2
309.22070	1.3
315.21271	2.4
317.22812	1.5
323.20190	1.1
331.24249	2.9
333.22031	1.6
335.23819	2.1
346.23141	1.0
347.23572	2.3
348.24335	1.2
349.21625	0.9
349.25275	5.9
357.26025	1.9
361.25327	2.9
375.26892	3.5
403.29788	5.8
413.28149	1.2
473.35019	1.4
481.35056	1.1
491.34805	3.1
503.35031	1.9
509.34055	1.7
547.39270	3.1
565.40552	21.4
583.41504	100.0
584.42322	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80408	2.0
53.03955	5.5
54.97739	2.6
55.05507	18.9
56.64446	2.5
57.07067	10.1
59.05003	4.2
65.03938	2.4
67.05510	30.5
69.03421	9.5
69.07066	21.3
71.04992	3.9
71.53194	3.9
79.05497	30.0
81.07057	43.2
83.04971	9.7
83.08627	15.4
85.06524	5.7
87.04468	3.8
89.27835	2.1
90.76107	2.2
91.05480	55.7
93.06490	4.0
93.07053	74.1
93.07642	5.3
95.04967	14.0
95.08618	44.2
97.06536	9.5
97.10183	2.6
103.05448	8.1
104.06241	2.5
105.07038	86.6
107.08607	63.5
109.06526	10.9
109.10156	30.9
111.08082	3.7
111.11777	2.8
113.09628	2.8
115.05447	5.1
116.06239	3.4
117.07034	16.8
119.08594	100.0
121.06500	6.7
121.10152	73.3
123.08067	16.0
123.11699	7.1
125.09620	6.8
125.37048	2.2
128.06239	10.2
129.07025	18.6
130.07785	6.5
131.08566	46.1
133.06490	4.1
133.10139	53.8
135.08055	10.6
135.11707	23.5
137.09596	12.5
139.07558	2.7
141.06993	13.1
142.07800	26.5
143.08568	54.3
144.09372	8.3
145.10135	71.0
147.08060	12.1
147.11722	22.1
149.09653	11.7
149.13257	5.3
151.07581	11.0
151.11172	3.1
152.30580	2.9
153.07083	4.9
154.07809	4.0
155.08548	24.1
155.10631	4.6
156.09361	21.4
157.10138	76.2
158.10922	12.8
159.08089	8.0
159.11713	38.1
161.09625	8.5
161.13281	9.6
163.11240	8.3
165.07037	5.9
165.09174	12.9
167.08600	12.9
167.10692	61.9
167.12122	3.8
168.09404	8.6
169.10138	35.2
170.10902	9.9
171.11691	33.8
173.09662	6.1
173.13280	36.6
175.11221	6.8
175.14876	18.9
175.16226	3.1
178.07823	4.3
179.08597	18.7
180.09364	6.9
181.10121	16.1
181.12279	6.0
182.10945	15.1
183.11705	36.6
184.12486	7.2
185.09746	3.5
185.13278	19.4
187.14774	13.6
189.12843	7.5
191.14371	10.6
192.09355	4.6
193.10226	17.1
194.10938	10.8
195.11697	28.2
196.12497	6.7
197.13277	29.1
199.14825	28.6
201.12828	4.0
201.16383	7.2
203.14389	10.2
205.10156	6.0
206.10953	10.0
207.11705	18.2
207.13596	4.6
208.12479	10.3
209.13251	32.1
209.15155	3.9
210.14110	5.0
211.11157	2.9
211.14830	15.5
213.16454	3.5
215.14389	3.5
217.10104	4.5
217.15884	21.0
218.10927	3.3
219.11717	7.1
220.12578	7.0
221.13289	16.9
221.15439	25.9
222.14015	4.6
223.11292	3.6
223.14822	17.2
225.16484	8.3
227.14330	4.3
231.11729	6.7
232.12538	5.1
233.13240	10.6
233.15442	22.3
234.14067	6.0
235.14812	11.6
237.16408	8.6
239.14296	3.5
239.18010	6.6
243.11528	4.1
244.12729	3.3
245.13303	7.2
246.14029	7.4
247.14865	11.1
247.17090	2.8
248.15712	3.7
249.16437	12.5
251.18025	4.7
255.17337	4.6
257.13348	4.2
257.18951	6.1
258.14059	4.5
259.14896	4.3
260.15628	4.7
261.16409	5.9
263.18024	7.4
265.19617	7.6
269.18991	3.8
273.16357	4.2
275.18011	10.2
277.19537	3.5
281.19101	4.1
283.20670	16.8
285.18781	4.1
287.20364	4.0
289.19507	3.0
295.20743	4.0
297.21976	3.7
314.17960	2.9
323.23740	3.1
331.24203	5.0
335.23773	3.4
347.23904	4.1
349.25327	7.4
359.23865	3.1
361.25354	4.4
375.26904	4.3
403.30087	2.6
473.34470	3.2
491.35214	7.2
503.35626	2.8
509.34442	2.9
547.39545	3.8
565.40112	17.4
583.41479	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15337	0.8
53.03943	2.9
55.01904	0.9
55.05517	5.5
56.15621	0.8
57.03431	1.2
57.07076	5.2
57.79923	0.8
59.04996	3.4
64.38775	0.9
65.03939	1.8
66.35084	0.8
67.05512	11.5
69.03425	7.4
69.07065	6.6
69.24716	5.2
69.25142	2.2
79.05498	12.9
81.03463	0.9
81.07059	15.4
82.11614	0.7
83.04996	2.1
83.08626	2.3
85.06544	2.4
91.05486	19.5
93.07049	28.5
95.04990	5.3
95.08613	17.8
97.06563	2.3
97.10141	0.9
103.05488	1.7
105.04518	0.9
105.07037	32.7
105.55607	0.9
107.04929	1.1
107.08601	19.3
109.06486	4.4
109.10165	12.4
111.08087	4.5
115.05436	2.6
116.06311	0.9
117.07051	6.3
119.08588	36.2
121.06535	4.3
121.10146	17.4
122.07351	1.2
123.08076	13.2
123.11742	2.3
125.06036	1.3
125.09653	1.3
128.06267	4.3
129.07024	5.2
130.07829	2.5
131.08580	15.7
133.06487	1.3
133.10143	19.5
135.08067	8.9
135.11691	10.9
135.85303	0.9
137.09619	17.0
137.10597	1.3
139.07565	1.0
141.07028	3.0
142.07785	7.4
143.08549	12.2
144.09351	3.1
145.10129	24.5
147.08060	21.5
147.11691	8.3
149.09625	4.6
151.07542	8.0
151.11264	1.7
153.07030	1.2
154.07729	0.9
155.08551	5.1
156.09354	5.9
157.10146	16.6
158.10936	2.5
159.08127	1.5
159.11691	12.9
161.09656	2.5
161.13257	6.2
163.11189	3.9
165.09126	43.2
167.08624	2.8
168.09415	2.4
169.10115	7.4
170.10902	2.5
171.11700	9.9
172.12378	0.8
173.09666	1.3
173.13272	7.6
174.10394	1.0
175.11198	2.4
175.14830	6.2
177.09077	1.7
177.12776	1.1
179.08624	3.7
179.10672	0.9
180.09399	1.3
181.10181	4.4
181.12262	4.9
182.10977	2.4
183.11688	9.7
184.12482	1.3
185.09631	0.9
185.13223	6.3
187.11237	1.0
187.14789	4.9
189.12798	2.8
191.10565	0.9
191.14383	1.2
192.09464	1.3
193.10182	3.8
194.10905	2.4
195.11722	6.3
196.12555	1.5
197.11707	1.4
197.13298	6.3
199.14862	3.3
201.16374	2.1
203.14313	15.7
205.10184	1.0
206.10933	1.1
207.11719	4.4
207.13855	3.8
208.12585	1.7
209.13303	6.4
209.15222	1.5
211.11284	1.6
211.14822	2.3
213.16495	1.4
219.11652	0.9
221.15376	100.0
222.14027	1.1
223.11095	1.1
223.14825	3.6
225.12892	1.3
225.16458	2.1
233.13339	1.1
235.14801	3.7
237.12851	1.0
237.16443	3.1
247.14825	1.2
247.17082	1.4
249.16441	2.2
251.18051	1.1
263.42578	0.8
265.19583	1.2
273.16443	1.1
275.17789	0.9
277.19614	1.2
278.29987	1.0
283.20596	1.2
286.19559	1.0
287.20264	1.3
297.22046	1.1
299.20108	2.8
315.20856	1.0
352.23843	1.6
357.25800	1.3
364.23990	1.1
365.24777	1.5
367.26224	1.5
375.26776	0.9
377.24747	1.1
378.25717	1.5
385.27786	1.3
411.29022	1.1
425.30273	1.0
437.30661	1.9
473.34250	8.9
480.84192	0.9
491.35211	11.6
503.35211	5.7
532.52863	1.0
548.40186	1.8
565.40247	5.9
583.41443	36.9
591.78516	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.7
55.05521	11.7
57.07081	10.6
59.05007	1.8
61.43133	1.4
67.05514	13.6
69.03426	5.4
69.07076	11.8
70.07506	3.2
70.07895	5.7
71.05000	1.5
71.08610	3.0
79.05500	16.6
81.03431	7.4
81.07062	27.6
83.04974	4.1
83.08634	9.2
84.52979	1.4
85.06538	6.5
85.10176	1.8
89.06026	9.3
91.05490	32.3
93.07053	36.2
94.07829	1.6
95.04988	7.0
95.08607	25.8
97.06538	3.2
98.20914	2.4
103.05454	1.7
103.73518	1.8
105.07041	47.1
106.07858	3.7
107.08604	27.7
107.17118	1.4
109.06528	7.1
109.10181	13.3
111.08086	2.6
115.05405	3.3
117.07038	15.1
119.08590	58.8
120.08784	1.8
120.09406	3.5
121.06483	3.5
121.10146	21.5
123.08051	10.4
123.11703	3.5
123.43893	1.5
125.05969	2.6
128.06233	7.3
129.07033	12.9
130.07788	4.9
131.08572	32.1
133.06511	1.7
133.08604	5.2
133.10143	27.8
135.08095	11.3
135.11691	11.9
137.05971	3.1
137.09624	9.3
141.06993	4.0
142.06810	1.7
142.07788	11.4
143.08578	26.2
144.09387	8.7
145.10141	43.7
146.10875	2.0
147.08067	14.2
147.11708	13.5
148.08701	1.8
149.09613	6.2
149.13232	2.6
151.07532	3.8
154.07822	2.9
155.08586	8.9
156.09341	12.9
157.10144	40.5
158.10887	7.1
159.08073	3.2
159.11710	25.2
160.12248	1.8
161.09648	6.8
161.13269	6.1
163.11160	7.5
165.07014	3.5
165.09131	22.9
167.08571	3.4
168.09355	4.6
169.10112	15.9
170.10904	6.4
171.11702	22.5
172.12418	5.7
173.09636	3.5
173.13261	14.8
175.11186	11.3
175.14807	9.7
177.11224	2.6
177.12703	3.5
179.08592	5.0
180.09285	2.7
180.11526	1.7
181.10146	10.8
181.12245	7.4
182.10898	4.4
183.11719	19.9
184.12354	3.8
185.09631	2.7
185.13293	12.8
187.11240	5.2
187.14799	6.7
189.12772	6.2
190.13560	6.7
191.10730	2.2
191.14272	2.6
193.10112	6.0
193.12146	7.5
194.10873	5.1
195.11734	15.9
196.12491	4.2
197.13280	12.7
198.13983	3.3
199.11127	3.5
199.14822	4.7
200.15579	1.8
201.12724	4.9
201.16373	2.9
203.14369	12.8
204.14758	2.0
205.10089	1.9
206.10968	2.1
207.11693	8.9
207.13844	8.2
208.12428	4.7
208.14554	3.7
209.13271	12.2
210.13994	4.4
211.11221	3.4
211.13049	2.1
211.14952	8.2
213.12753	4.3
213.16397	2.3
215.14325	2.0
217.15813	2.3
219.13795	3.8
220.12332	3.1
221.13269	7.0
221.15343	50.2
222.15813	2.8
223.14883	9.3
224.15752	2.2
225.12729	3.6
225.16374	5.6
227.17865	1.9
231.11574	1.8
233.13278	3.9
233.15439	2.8
234.14064	1.9
234.16306	7.7
235.14786	4.8
237.12877	3.9
237.16389	5.2
239.14502	1.8
239.17897	3.6
243.13699	2.1
245.15337	2.2
247.14777	2.3
247.17001	10.3
248.46422	1.9
249.16417	3.8
251.14354	2.5
251.18011	3.5
259.16989	2.7
261.16388	3.0
263.14594	1.6
263.17773	2.1
265.19629	3.2
267.15952	5.7
271.17020	3.3
274.19452	2.6
275.18021	2.0
283.20703	2.4
286.17044	1.9
286.19733	1.9
287.17456	2.6
291.20920	2.2
295.20474	2.3
299.19980	9.9
300.20709	1.8
311.20206	2.0
311.25891	1.7
311.29437	2.7
312.24326	2.6
319.20340	2.5
323.20322	1.6
325.21588	11.6
337.21487	7.1
337.27448	4.1
338.27829	2.2
339.28806	5.1
351.23581	2.2
352.23999	62.4
365.24719	11.5
371.22525	3.9
376.27438	2.1
378.25717	1.9
385.27362	2.9
391.26282	3.4
397.27283	2.4
398.28229	5.8
404.30630	6.6
411.28751	2.6
412.29700	12.3
423.28680	2.0
425.30551	4.6
438.31390	14.8
489.33655	3.7
490.34042	2.0
491.35141	13.3
492.35449	6.8
504.36053	100.0
531.40057	6.0
549.40637	6.7
566.40948	3.1
584.42114	26.9
584.55890	11.2
585.37683	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.05510	13.3
57.03431	6.1
57.07074	6.6
59.05003	2.8
65.03932	2.0
67.05508	91.8
68.81846	1.8
69.03439	2.6
69.07069	16.1
71.04993	17.6
71.08636	3.3
71.52824	2.5
79.05497	19.5
81.03429	3.8
81.07058	43.9
83.04975	4.4
83.08620	12.3
85.06541	4.0
85.10197	2.1
89.06046	14.0
91.05489	25.1
91.06040	2.7
93.07060	26.8
95.04961	4.0
95.08611	39.9
97.06542	6.7
97.10178	4.7
105.07027	14.3
107.08594	17.1
109.06544	1.6
109.10162	56.7
111.08099	4.0
117.07030	5.7
119.07811	2.1
119.08590	23.8
121.10138	11.3
123.08064	5.1
123.11716	5.4
129.07045	2.9
131.08565	7.8
133.08588	5.3
133.10130	11.2
135.08014	2.9
135.11732	10.6
137.09596	10.2
142.07774	2.0
143.08583	6.0
145.10168	11.0
147.08128	2.8
147.11685	5.6
147.49330	1.9
149.13264	2.9
151.07645	2.1
155.08508	2.3
155.10696	3.2
156.09357	1.6
157.10150	7.0
158.10822	2.3
159.11700	7.8
161.13269	2.0
163.11203	2.3
165.09090	4.7
167.08492	1.6
169.10147	3.1
171.11703	5.3
173.11783	5.0
173.13271	2.8
175.14813	3.1
177.11224	3.5
181.12292	4.5
183.11710	4.7
185.13260	2.5
197.13293	3.2
199.14868	2.5
203.14348	3.5
211.13171	2.7
221.15424	8.8
255.15947	3.3
259.52438	1.7
287.18552	22.1
300.29269	2.3
311.29550	4.1
325.21652	2.0
337.27411	23.6
339.29047	3.5
352.24167	4.1
355.08566	1.9
365.24377	2.4
371.22763	3.3
412.29221	2.2
491.37354	100.0
492.35794	2.8
495.92609	2.1
504.35962	7.4
505.39218	2.8
517.38794	4.2
549.41498	45.1
584.41437	8.9
584.56140	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	585.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01868	2.5
55.36619	0.6
57.03426	1.2
58.82025	0.7
64.84801	0.5
65.03945	1.2
68.99797	5.8
69.03427	3.3
69.59656	4.1
70.51864	0.6
71.04988	3.6
73.02924	1.2
74.59378	0.6
79.05481	1.2
81.03423	8.3
83.04990	0.6
85.02899	4.9
85.71539	0.6
87.00835	4.1
91.05498	5.5
93.03424	0.9
93.07072	0.9
94.04181	0.6
95.01350	0.8
95.04967	2.4
97.02882	2.8
99.04457	2.2
103.03995	0.6
103.05465	1.2
105.07019	1.2
107.04961	5.2
108.05721	3.2
109.02892	7.7
111.04454	13.9
113.06001	0.9
115.05434	3.4
117.05729	0.6
117.07030	3.5
121.06506	4.1
122.03665	1.3
127.03937	3.3
128.06216	3.4
129.06995	4.2
131.04915	3.3
131.08618	1.0
131.25967	0.6
132.05727	1.3
133.06503	1.5
135.04419	2.1
135.08067	1.3
136.05199	5.2
137.02365	1.0
137.05988	19.0
138.50519	0.6
139.03923	3.3
141.07021	2.6
143.04929	1.8
143.08580	1.2
144.05682	1.5
145.06474	5.2
146.07271	7.7
147.04422	1.2
147.08012	3.2
149.06020	4.3
150.06789	1.3
151.07555	100.0
152.06139	0.9
153.06970	0.7
155.06104	0.6
156.05779	0.8
157.06479	4.6
158.07285	1.8
159.08035	1.7
160.05174	3.5
160.08862	0.7
161.06010	5.7
162.06786	1.9
163.03928	1.0
163.07498	3.3
165.05496	2.6
165.06909	0.7
165.09138	7.6
167.07071	0.7
168.05832	1.0
169.06488	2.1
171.02896	4.3
171.04323	1.2
171.08060	2.7
172.05301	0.6
172.08826	1.0
173.05989	2.4
174.06767	6.3
175.04033	0.6
175.07561	15.8
176.08289	1.9
177.05501	3.0
177.09113	18.8
179.03346	0.8
179.07066	10.2
181.04987	7.6
181.06499	1.5
182.07352	0.8
184.05191	4.4
185.06013	3.1
186.06874	0.8
187.03984	0.9
187.07550	6.9
188.04688	1.3
188.08347	2.6
189.05525	1.6
189.09108	15.4
191.07008	4.6
191.10666	1.7
195.06497	0.8
195.08099	1.1
196.05286	0.6
197.04483	4.1
197.06041	2.0
198.06691	0.8
199.07549	5.4
201.05501	1.6
201.09142	5.0
202.06192	1.0
203.07059	12.1
203.10605	3.7
204.07880	1.3
205.08662	2.4
211.07602	1.7
212.04716	12.3
213.05534	2.2
213.09105	1.7
214.06372	0.7
215.06920	2.9
217.08644	9.3
219.06599	0.7
219.10136	4.0
225.05693	0.9
225.09033	0.8
226.06381	0.8
227.07047	50.6
228.07550	1.4
229.08629	4.3
231.06627	0.9
231.10272	1.8
233.08083	1.7
237.05324	0.7
239.07106	1.4
241.08611	3.1
243.06429	0.9
245.08080	16.9
245.10367	1.1
247.09595	3.7
249.11218	1.0
251.07077	1.2
253.08710	0.9
259.09842	0.9
265.08514	1.0
267.06595	1.4
269.08148	1.9
275.10654	1.7
297.11447	0.7
303.10413	0.6
305.11697	1.4
315.10324	0.7
317.11761	0.7
329.11789	1.0
335.13000	2.8
342.12796	0.7
349.14523	1.1
353.13919	1.3
359.12769	0.8
361.10599	0.8
367.15732	1.6
379.15482	1.5
381.13312	0.8
385.16333	2.8
393.13217	3.4
397.16595	2.0
399.14459	6.9
403.15390	3.3
407.14944	1.0
409.16559	1.8
413.14636	1.8
417.16138	4.8
421.16467	3.6
427.15253	1.0
431.14859	2.8
435.18076	3.6
439.17502	3.3
445.16531	7.6
451.17868	0.9
453.19153	1.2
463.17557	45.7
481.18631	32.8
481.25702	1.4
521.65851	0.7
549.17676	2.6
567.18701	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	585.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01872	9.2
55.05505	8.9
57.03423	5.7
65.03944	3.8
67.05511	39.6
69.03445	21.0
69.07050	11.5
71.04989	13.3
71.10344	3.5
71.10672	4.8
79.05498	37.9
81.03427	29.1
81.07063	70.8
83.04977	32.3
83.08605	14.9
85.02907	10.2
85.06564	4.8
91.05492	33.5
93.07052	49.4
95.04953	10.8
95.08598	29.8
96.37116	3.6
97.02896	26.9
97.06535	16.5
99.04478	6.7
99.08121	6.3
103.05466	3.7
105.07032	21.8
107.04954	6.2
107.08595	16.9
109.02895	6.7
109.06512	12.7
111.04440	17.3
111.08076	14.9
117.07018	15.6
118.00944	3.7
119.04940	10.4
119.08636	17.9
121.06482	13.8
121.10130	11.5
127.03979	16.4
128.06212	4.3
129.07002	8.0
131.08563	17.6
133.06468	7.2
133.10158	19.4
135.08032	6.5
135.11699	19.0
137.05971	7.1
139.07527	4.1
143.08586	5.5
145.06458	5.5
145.10133	5.2
147.04408	11.9
147.07997	3.8
147.11703	10.3
149.05951	3.4
149.09619	6.8
149.13335	16.1
149.76085	3.3
157.08644	6.4
157.10136	8.2
159.08032	5.5
159.11693	36.6
161.13332	3.7
163.07498	5.0
165.05463	6.1
165.12744	7.9
171.11752	3.4
173.13329	6.1
175.09682	5.6
177.12744	37.7
181.05023	6.8
183.11813	3.5
185.09610	6.0
187.07516	4.4
187.11212	6.6
189.12686	6.3
193.04982	5.5
193.12221	6.9
195.13849	22.0
201.09138	5.2
201.12769	5.3
205.12224	4.5
207.13928	6.9
209.04396	4.2
211.05992	6.5
217.12173	4.1
219.13808	6.9
223.13278	4.0
229.07101	3.7
231.13689	3.5
267.12097	17.5
273.14816	4.2
285.14822	7.7
298.38300	3.4
303.15927	25.9
321.16959	100.0
339.18048	26.6
357.19394	4.4
389.15741	6.2
454.60913	3.8
531.21973	5.0
549.23138	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23101	0.6
55.05518	3.9
57.03419	1.1
57.07067	0.9
67.05508	8.1
69.07082	5.2
69.83170	3.3
71.04969	0.7
71.08632	0.6
79.05506	3.2
81.03421	0.8
81.07065	8.1
82.07368	0.8
83.08614	1.7
89.06039	1.6
91.05484	2.3
93.07055	4.5
95.04971	1.0
95.08617	6.0
97.10187	1.4
105.07059	3.2
107.08623	2.9
109.06517	0.8
109.10177	2.5
112.96658	0.6
117.07014	0.9
119.08596	2.7
121.10157	1.5
123.11697	1.3
131.08612	0.9
133.08615	0.9
133.10123	1.3
135.11708	1.9
137.09587	0.6
143.08412	1.0
145.10115	1.2
146.10526	0.6
147.11710	0.8
157.10233	0.7
177.10999	0.6
195.98981	0.7
200.88548	0.7
221.15378	1.1
222.78514	0.7
249.08372	1.3
249.10985	25.8
275.19879	1.1
287.18427	1.0
293.57745	0.6
305.13675	2.9
317.28290	0.8
337.27393	1.6
338.27695	1.0
420.16367	0.7
425.40146	0.7
506.39496	2.8
532.40601	1.0
550.41302	1.4
585.37592	100.0
586.37848	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
54.22241	0.9
55.01878	1.4
61.02924	1.4
67.05507	9.8
67.44870	1.1
69.03430	3.4
69.48122	6.5
71.01354	3.0
73.02906	1.9
79.05495	9.3
81.03409	2.3
81.07053	6.9
83.04967	2.0
84.08151	17.8
85.02911	7.7
89.10432	1.1
91.05489	25.3
93.07051	13.9
93.07591	1.9
95.04966	4.7
97.02899	2.1
97.06523	1.4
98.20764	1.8
100.63335	1.1
103.05479	5.6
105.03370	1.1
105.07023	1.6
106.74854	0.9
107.04907	1.2
109.02882	3.5
109.06538	6.9
112.11245	7.0
115.03948	2.3
115.44327	0.9
119.04948	29.3
121.06511	26.1
123.04455	7.1
125.06023	1.4
127.03931	1.9
133.04970	3.4
137.05991	34.9
139.07547	4.4
145.05000	1.2
147.04420	28.6
149.05991	12.8
155.07092	1.5
157.08588	1.1
164.07108	3.4
165.05502	17.8
167.07030	18.6
175.03934	7.8
179.05527	3.1
183.06500	5.5
193.04976	100.0
203.07204	1.3
210.11313	1.3
211.06020	83.1
298.96967	1.1
325.09103	2.2
326.12219	1.5
334.29022	1.0
335.34937	1.1
353.08777	1.8
355.10092	1.3
371.09753	78.0
389.10751	25.4
407.11899	2.1
408.29083	1.1
423.21335	4.7
463.69467	1.0
586.19214	5.6
586.27393	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	587.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.6
55.01870	6.9
55.05519	23.6
57.03450	11.5
65.03940	5.6
67.05511	73.2
69.03430	3.4
69.07074	17.7
71.01350	5.3
71.04994	2.8
71.52965	3.8
79.05499	57.7
81.03423	29.6
81.07062	62.6
83.04992	6.5
83.08614	9.5
84.36951	2.6
84.99883	2.7
91.05487	37.8
93.07053	55.5
95.04977	61.6
95.08613	42.8
96.80453	2.1
97.10179	10.2
103.05506	2.7
105.07040	28.2
107.04952	15.0
107.08606	25.2
109.02902	11.6
109.06538	6.8
109.10169	16.4
111.08079	2.9
117.07056	14.3
119.08574	18.7
121.06514	6.8
121.10167	18.9
123.04444	74.5
123.08116	3.3
123.11682	3.3
125.09650	6.1
127.00105	2.2
129.06995	9.9
131.05029	2.5
131.08572	17.4
133.06526	2.7
133.10149	10.4
135.08014	5.9
135.11679	15.7
137.05949	2.6
143.08612	7.5
144.73595	2.7
145.06422	3.9
145.10139	22.4
147.08064	9.5
147.11705	8.3
149.06073	3.6
149.09569	2.5
149.13243	3.4
153.09093	5.2
157.10175	3.9
159.11722	6.8
161.13338	4.8
163.11188	19.1
171.11713	7.8
173.09636	10.8
173.13264	5.4
175.00682	2.3
189.12785	10.4
191.10612	5.5
207.13754	12.1
217.12312	10.1
227.12831	3.9
235.13290	82.0
243.21126	3.6
261.22128	10.5
304.45486	2.5
309.16965	50.1
335.25839	100.0
414.20636	2.3
475.53583	2.5
477.33624	2.8
537.08301	3.2
569.38385	67.0
587.39734	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	588.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01873	0.8
56.96558	2.7
57.03427	1.5
60.98070	0.4
61.02925	1.6
63.07998	0.3
67.05508	0.5
69.03429	3.8
71.04989	0.5
71.51909	0.5
73.02916	1.0
79.05492	1.6
81.03413	1.6
81.07044	0.6
84.08162	5.4
84.96009	0.7
85.02909	9.8
87.04469	0.9
89.03910	1.0
91.05491	0.5
93.07049	0.6
94.04073	0.5
95.08605	1.5
97.02894	5.0
97.38438	0.4
98.03148	0.4
98.97585	10.5
99.04467	1.0
105.07047	1.3
109.02882	1.0
109.06558	0.6
110.97579	2.6
112.11251	1.3
112.99147	0.5
114.36551	0.4
116.98618	2.2
119.03584	0.8
119.04973	0.4
121.06531	0.8
123.08067	1.6
123.89970	0.4
124.99155	0.6
125.02345	0.6
127.03919	2.7
128.98611	1.9
131.00140	0.5
135.04416	1.3
136.06192	100.0
137.05956	3.8
141.09093	1.5
143.00191	1.2
145.02873	0.5
145.04982	2.6
146.99695	0.5
147.04430	1.5
149.05956	0.8
158.99666	4.0
161.01253	1.0
163.03929	6.9
164.04245	0.9
167.07077	2.3
170.99635	1.4
171.04854	0.6
177.00763	2.2
177.05472	1.1
179.07053	0.6
180.05457	1.4
182.03363	0.7
182.99687	0.6
185.04872	1.0
189.00645	0.8
189.05956	1.7
191.03931	1.8
197.04878	1.9
199.06421	0.9
201.00717	1.2
203.05916	0.7
211.02768	0.6
215.05923	1.2
216.06229	0.5
217.07492	0.9
219.01791	4.9
220.02133	0.8
221.01233	0.5
223.02910	0.5
223.05495	0.4
227.09138	0.8
233.06812	1.5
237.02823	4.0
238.10832	0.5
239.05884	3.7
240.06290	1.1
244.43393	0.4
252.07571	0.7
253.03786	0.9
257.06989	1.6
258.07394	0.9
259.06607	2.9
259.56671	0.8
260.07324	1.1
261.02820	1.0
261.08188	5.8
261.58206	0.8
265.03699	0.5
268.10419	31.6
277.03885	0.5
279.03961	2.3
283.04935	0.8
285.02783	1.4
286.03391	0.5
295.04630	0.8
295.07700	0.6
297.08221	0.5
303.03925	1.6
304.04138	0.5
312.08670	1.6
321.05203	0.5
325.05939	0.8
327.03973	1.3
328.04257	0.9
328.14224	0.7
340.12988	0.7
351.11087	0.7
355.06931	0.5
359.10260	2.7
360.10617	1.0
370.05151	0.6
377.11340	2.0
378.11105	2.0
393.10904	5.5
393.61356	1.2
402.11783	1.9
408.11374	0.5
408.61984	0.5
409.61792	0.9
410.11874	1.0
411.12640	0.7
415.09409	0.6
419.13974	2.3
421.15457	2.9
421.65720	0.6
425.22754	1.3
427.13443	1.3
427.63266	0.7
428.14334	1.2
429.07144	0.7
445.10001	0.5
447.08118	0.7
448.08530	0.8
500.15292	1.8
521.15295	1.5
544.17767	3.9
588.19971	0.5
588.29352	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.4
58.06592	0.4
69.07072	6.9
71.03184	0.8
74.06063	2.7
84.04509	0.6
85.89999	0.4
86.09710	100.0
89.07186	0.6
102.05519	0.7
114.09138	0.4
116.07084	0.6
116.90231	0.4
126.05518	7.5
130.04985	1.0
132.13663	0.3
137.05992	1.0
138.06358	0.8
142.30292	0.4
144.06575	0.7
148.06046	3.3
153.06636	1.6
157.13379	4.4
169.09819	0.4
181.08525	0.6
185.12915	0.8
197.09236	15.7
199.18114	1.7
215.10292	5.5
227.17564	2.2
238.15506	0.5
243.13443	0.4
261.14456	8.7
277.67389	0.4
282.18268	0.9
300.19196	15.5
328.18686	35.4
373.19003	0.4
374.23001	1.0
379.23233	0.5
441.27051	3.8
445.26520	0.5
546.87531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05515	17.9
57.03439	11.8
57.07078	9.2
57.50253	1.5
61.02083	1.3
67.05511	8.3
67.29560	1.4
69.03408	1.8
69.07071	16.9
71.04995	2.2
71.08642	7.6
79.05509	9.4
81.03419	55.6
81.07063	10.5
83.04977	3.8
83.08623	21.8
85.06538	1.8
85.10191	2.1
91.05492	12.3
93.07024	7.1
95.04979	13.5
95.08616	7.1
97.02881	2.0
97.06551	2.7
97.10166	11.9
105.07035	8.5
107.04947	3.0
107.08590	4.7
109.10152	2.9
111.04452	1.5
111.08059	3.9
111.11726	2.8
117.07056	1.7
119.08614	7.6
121.06477	1.7
121.10172	5.4
129.06992	4.7
131.08571	4.8
133.06473	2.5
133.10104	4.0
135.11687	2.0
137.09615	2.2
142.07813	1.6
145.10059	1.9
147.11699	4.9
149.09612	4.1
149.13266	1.7
150.49252	1.4
157.10165	8.4
163.11234	3.0
165.21263	1.2
175.11203	6.6
193.12250	17.0
211.13239	1.7
223.13359	1.3
249.14857	3.0
267.15918	100.0
311.25812	51.9
313.27380	6.1
503.37338	45.9
503.43628	1.0
503.44830	1.8
521.38110	3.8
553.40692	3.0
588.39307	19.4
588.48010	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21445	1.1
53.03936	2.7
55.01865	2.2
55.05272	1.5
55.05511	16.6
57.03439	10.0
57.07085	8.5
65.03918	1.8
67.05510	11.9
69.03422	1.5
69.06733	1.5
69.07072	20.5
70.07516	4.1
71.05009	1.8
71.08636	5.7
79.05491	7.7
81.03422	53.3
81.07060	11.0
83.04968	3.7
83.08619	25.4
85.02927	1.0
85.10187	3.1
91.05505	8.8
93.07032	7.0
95.04964	12.7
95.08636	6.1
97.02880	2.3
97.06522	2.9
97.10172	13.3
103.42675	0.9
105.07048	6.9
107.04918	3.7
107.08585	3.2
109.06509	2.8
109.10143	1.8
111.04429	1.8
111.08067	5.8
111.11703	3.4
119.08575	7.4
121.10149	4.9
121.10841	0.9
129.07011	5.1
131.08559	5.7
133.06522	2.8
133.10127	3.2
135.11703	2.1
137.09613	1.5
142.07808	1.7
145.10110	1.8
147.08029	2.5
147.11684	4.6
149.09598	2.4
150.66243	1.3
154.68036	1.1
157.10168	5.8
160.77950	1.1
163.11148	2.4
175.11206	6.3
178.68291	1.0
193.12253	19.6
209.11923	1.1
239.23723	1.1
241.14259	1.9
249.14867	1.5
267.15921	100.0
311.25818	60.1
312.26080	1.5
313.27304	5.4
315.18073	2.9
349.52728	1.1
353.66470	1.0
418.28735	1.1
503.37308	47.2
521.37799	4.1
546.79083	1.1
553.40338	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	589.2296
Annotation	2,3-di-O-Acetylanthothecanolide
Peak:m/z	Relative Intensity
52.38680	0.8
52.98650	1.0
55.05510	2.9
59.95094	0.9
64.41276	0.8
67.05495	3.6
69.07082	1.5
77.83589	0.9
79.05497	3.6
81.07050	3.3
91.05480	3.1
93.07083	4.6
95.04950	1.9
95.08605	2.5
97.06534	1.2
105.07053	2.0
107.08575	2.0
109.10150	1.2
111.28609	0.8
117.06989	1.1
119.08596	1.4
133.10136	1.6
145.10182	1.8
147.08086	1.0
147.11703	1.6
171.11681	1.7
281.17438	1.9
291.19418	4.9
349.76993	1.0
365.23346	1.2
370.10471	1.1
371.11661	2.3
372.12207	1.0
384.12247	1.9
385.12866	9.0
386.13745	27.2
387.14575	2.7
398.13699	3.8
399.14590	16.3
400.15369	31.3
401.16003	23.8
412.15594	3.4
413.16187	12.1
414.16949	14.9
415.17743	4.7
427.13452	1.7
427.18344	2.5
428.18549	7.3
429.19293	19.5
430.19461	3.3
441.15253	2.8
442.16125	6.7
444.14142	1.6
445.15012	3.8
455.17194	4.3
456.17944	16.3
457.18738	1.3
460.17017	1.5
469.18680	1.5
470.19495	3.3
473.18054	3.5
474.18634	2.4
481.15527	1.4
484.21851	1.4
485.22275	5.9
488.20761	10.5
502.22424	1.1
511.19800	3.9
513.21417	6.8
516.23749	2.9
517.24451	6.6
532.19495	2.0
539.19421	9.7
543.22461	15.7
545.23932	1.8
560.22479	1.9
561.23547	11.7
571.21942	79.7
571.36560	5.4
572.22491	1.3
589.22888	100.0
590.23035	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	589.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54451	0.9
53.03938	3.0
55.01864	2.7
55.05513	19.1
57.03442	13.4
57.07079	43.7
65.03931	1.6
67.05509	43.5
69.06738	1.9
69.07076	19.7
69.30348	4.3
69.30772	3.7
71.04991	2.3
71.08635	28.6
72.08965	0.9
79.05497	36.3
81.07063	47.6
83.04987	2.2
83.08628	18.8
85.06538	2.6
85.10193	15.4
91.05483	53.4
93.07047	43.4
95.04965	3.4
95.08613	45.8
97.06518	3.5
97.10171	8.9
99.08112	2.4
103.05482	1.1
105.04552	1.3
105.07036	55.0
107.08599	26.1
109.06529	2.4
109.10163	18.2
111.08115	1.1
111.11687	2.3
114.98149	1.1
115.05466	1.7
117.07019	14.4
119.08588	43.1
121.06535	1.2
121.10149	18.3
123.08050	1.5
123.11717	6.6
125.09605	1.3
128.06181	2.0
129.07001	7.6
130.07784	1.5
131.08568	20.6
133.10136	35.7
135.11717	17.1
137.09612	1.1
137.13252	2.4
138.59641	1.1
142.07787	1.4
143.08603	6.6
145.10136	19.1
147.11697	37.7
149.09619	2.3
149.13263	11.5
151.11203	1.4
157.10149	7.2
159.11688	18.0
161.09547	1.6
161.13260	29.6
163.11197	1.6
163.14835	2.5
171.11691	13.1
173.13277	11.4
175.11136	1.2
175.14851	12.6
177.12669	1.2
185.13245	9.4
185.45142	1.1
187.14787	3.3
189.12653	1.4
189.16432	1.5
199.14883	5.7
201.16365	1.3
211.15309	1.0
213.16388	1.4
215.17963	2.2
231.21088	7.9
239.23740	4.2
241.19522	34.4
243.21092	1.2
257.24878	1.7
259.20596	92.8
261.22244	1.8
275.19977	1.8
277.21634	2.5
311.25845	3.0
313.27377	100.0
315.23138	7.8
333.24249	51.8
335.25766	2.7
497.43286	2.9
571.47131	12.6
589.48462	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01852	2.3
55.05509	14.3
55.80546	1.9
57.03437	8.3
57.07082	43.1
67.05508	34.7
69.07077	18.4
69.20727	3.4
69.21130	15.1
71.04986	4.5
71.08640	26.8
79.05497	28.2
81.03419	3.8
81.07066	36.8
83.08599	13.8
85.06559	2.6
85.10208	12.8
89.06024	2.5
91.05488	43.1
92.06403	1.9
93.07058	37.8
95.04947	3.9
95.08069	3.1
95.08614	37.8
97.10152	5.6
99.08082	2.8
105.07035	48.8
105.07697	3.7
107.08595	22.8
109.10165	15.5
110.70628	1.9
117.07026	12.9
119.08583	44.6
121.10147	14.5
123.11751	4.7
129.05441	1.9
129.07034	9.4
131.08560	19.1
133.10132	41.8
135.11699	16.2
137.09589	2.0
143.08516	9.0
145.10130	14.6
147.11685	36.5
149.13280	9.1
157.10129	11.5
159.11693	17.3
161.13255	35.9
161.14439	1.4
163.14783	3.0
171.11694	11.9
173.13310	11.7
175.14848	15.1
185.13257	9.7
187.14780	3.1
189.13065	2.2
199.14772	6.8
224.30309	2.4
231.21077	7.3
239.23692	7.2
241.19537	37.7
257.24493	2.4
259.20599	95.3
267.15851	3.8
277.21707	4.2
313.27393	100.0
314.27927	2.1
315.23053	7.2
320.58365	2.1
333.20416	4.0
333.24271	60.0
333.28311	4.1
505.38489	2.4
571.46796	9.0
589.48621	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	590.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30368	2.4
53.10114	2.5
55.01862	3.0
55.05274	3.8
55.05516	57.4
57.03442	19.4
57.07085	16.9
63.29354	2.8
67.05511	50.2
69.07074	39.7
71.08620	11.1
71.52909	3.8
79.05515	15.3
81.03395	2.9
81.07071	23.9
83.04980	3.9
83.08620	42.8
85.02900	10.5
87.04452	5.0
87.57692	2.7
91.05472	5.7
93.07037	8.0
93.43199	2.6
95.04990	3.4
95.08621	16.4
97.06583	3.0
97.10174	43.1
105.07030	4.3
107.08586	15.2
108.13026	3.0
109.10171	40.7
111.11718	8.0
119.08536	4.2
121.10155	7.4
125.09620	26.8
135.11674	5.9
135.51471	2.7
137.05907	2.9
143.10690	5.9
149.13237	2.6
173.11761	17.4
185.08176	3.4
194.92969	3.1
199.13310	20.1
201.52867	3.3
215.65829	3.2
227.12785	3.4
229.14346	62.4
283.15344	3.1
301.16370	16.0
311.25806	100.0
319.56494	2.7
421.81763	3.0
427.30536	3.4
435.34592	7.8
453.35760	11.0
465.35858	22.6
537.37500	6.6
590.43292	6.3
591.25885	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	590.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.4
55.01868	5.1
55.05517	88.8
57.03437	28.9
57.07079	37.5
59.04992	4.4
61.36954	3.3
67.05513	80.2
69.07076	56.1
71.01340	6.7
71.08628	22.6
71.53208	4.2
74.73750	2.9
79.05495	29.9
81.03415	9.2
81.07058	44.6
81.55032	3.3
83.04975	8.6
83.08628	50.0
85.02905	17.3
85.10186	12.9
87.04462	9.9
91.05494	17.4
93.07063	16.3
95.04975	4.6
95.08612	29.9
97.06528	13.2
97.10179	55.9
105.07018	6.3
107.08601	24.1
109.10168	42.5
111.08079	3.8
111.11717	7.3
119.08544	8.1
121.06564	4.0
121.10139	8.0
123.07999	4.7
125.09648	34.4
133.10167	5.3
134.06032	6.0
135.11775	5.0
137.09590	5.0
155.10641	3.5
161.09644	4.6
163.11168	4.6
173.11765	19.3
188.45003	3.4
193.12206	5.5
199.13286	22.1
223.13257	3.2
224.36504	3.0
227.12823	6.5
229.14336	48.3
267.15872	12.9
299.14883	40.6
301.16409	25.6
311.25797	100.0
313.27368	66.1
316.24911	3.8
435.34796	6.9
453.35715	18.5
465.35858	19.1
505.38507	8.7
531.24243	4.7
537.37781	32.0
555.38629	9.8
591.26013	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	590.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.05499	9.6
57.03449	12.0
57.07076	31.6
67.05506	16.8
69.07063	8.4
71.05001	2.7
71.08637	23.3
79.05514	11.8
81.03423	59.5
81.07050	20.0
83.08624	19.9
85.10197	12.9
91.05479	13.5
93.07037	6.6
95.04973	13.3
95.08613	17.5
96.05672	2.4
97.10172	5.6
99.61392	2.4
105.07022	8.7
107.04980	3.9
107.08577	3.1
109.10149	9.1
111.08092	3.7
111.21576	2.4
119.08557	10.1
121.10149	6.1
125.85383	2.4
129.06992	4.5
131.08595	5.7
133.10124	6.1
147.11693	5.6
148.84789	2.5
149.09602	3.6
157.10146	6.7
175.11237	6.9
193.12263	22.7
239.23660	3.7
257.24847	2.6
260.20917	5.4
267.15945	97.7
313.27377	100.0
314.27881	4.4
455.28296	2.9
505.31387	4.1
505.38913	74.1
510.74075	2.7
551.74530	2.7
575.34729	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	590.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75458	2.6
53.03945	3.6
55.05515	11.9
55.08588	2.0
57.03448	15.8
57.07082	47.4
62.32790	2.1
62.33089	1.8
66.74699	1.9
67.05506	26.8
68.05824	2.7
69.03445	2.4
69.07076	13.7
70.00379	6.4
70.00796	4.1
71.05002	2.5
71.08635	31.4
79.05497	14.9
81.03420	65.9
81.07058	38.5
82.07401	3.4
83.04990	4.4
83.08623	27.6
85.06535	2.2
85.10176	17.6
89.06034	4.9
91.05480	21.0
92.05814	5.2
93.07050	20.3
94.07363	2.7
95.04981	17.1
95.08605	29.8
97.10181	10.2
99.08080	3.1
100.35659	2.4
105.07033	22.8
106.07372	3.6
107.04959	3.3
107.08607	11.7
108.08935	2.3
109.10174	12.2
111.04461	2.3
111.08076	5.4
117.07009	5.1
119.08593	23.2
120.08952	4.1
121.10138	10.8
122.10484	3.4
123.11697	5.9
129.07018	9.5
131.08519	10.9
133.10120	12.1
134.10455	6.0
135.11717	3.8
137.09610	3.4
143.08597	2.2
145.10097	3.9
146.10527	2.9
147.11693	20.3
148.12056	5.4
149.09642	4.7
149.13368	2.0
155.94676	2.3
157.10141	8.7
159.11694	5.7
161.13239	11.3
162.13570	5.6
165.12726	3.6
171.11703	2.9
175.11198	6.2
175.14893	3.0
176.15117	3.1
185.13289	2.6
193.12245	19.2
239.23734	3.5
241.19450	9.9
242.19930	7.0
257.24854	2.9
259.20575	18.5
260.20944	17.1
267.15942	87.9
313.27390	100.0
314.27762	21.8
333.24234	8.1
334.24612	11.5
433.97827	2.3
505.31473	3.2
505.38934	57.9
553.26855	2.9
572.47455	4.9
590.48395	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	591.2604
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
55.05511	0.9
56.25879	0.4
62.62736	0.4
67.05499	1.1
79.05473	0.6
81.07056	0.8
93.07066	0.6
95.08590	1.1
106.59370	0.4
118.39700	0.4
140.27939	0.5
167.08649	0.5
171.09991	0.5
183.11893	0.6
223.59239	0.5
227.70590	0.4
262.25305	0.5
356.57620	0.4
401.17719	0.7
414.18390	0.7
415.19281	4.1
416.20248	1.1
417.20947	1.0
428.20316	0.7
429.20932	5.4
430.21704	3.4
431.22522	0.9
433.23962	0.5
443.22464	2.0
444.23590	5.6
445.24203	3.1
448.26291	0.7
457.19861	0.9
458.20163	0.7
458.25439	1.0
459.21213	1.9
459.25702	2.9
471.22232	1.0
472.22565	2.9
473.23599	4.3
474.24615	2.2
475.20474	0.6
485.23499	1.7
487.24966	17.7
488.25745	0.9
489.22821	1.8
503.24368	1.6
504.25620	0.5
513.23138	0.6
515.24561	1.6
531.23914	13.0
532.24664	4.6
563.26440	1.0
591.26044	100.0
591.44336	2.7
592.26428	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41039	1.9
53.03937	2.6
55.01864	3.0
55.05518	12.8
57.03437	2.1
57.07071	4.8
65.72482	1.7
67.05506	27.1
69.03419	10.4
69.07072	27.3
71.52426	3.3
73.02913	1.8
74.54250	2.0
79.05080	1.6
79.05495	12.5
81.03404	7.4
81.07056	77.6
83.08615	13.5
83.17104	2.2
85.02905	17.4
85.06545	4.9
87.00824	8.1
91.05466	4.6
93.07043	17.0
95.04954	4.0
95.08607	100.0
97.02892	8.9
97.06532	4.2
97.10162	13.6
99.04465	3.2
99.08108	4.2
105.01869	10.5
105.07035	12.3
107.08595	16.8
109.02875	4.4
109.10169	40.3
111.04458	2.3
111.08086	7.2
111.11726	8.4
119.08585	9.5
121.06505	2.6
121.10168	10.3
123.11701	23.1
125.09613	4.1
127.03935	12.8
131.08537	4.1
133.10129	6.5
135.04402	3.5
135.11720	11.6
137.05975	5.5
137.13217	11.5
139.11224	5.8
139.86769	2.1
143.10693	3.0
145.04930	1.9
145.10201	3.2
147.11697	6.0
149.09619	2.4
149.13287	7.3
151.11191	3.7
151.14815	22.1
153.12767	3.0
157.10211	3.4
157.12177	2.6
159.02834	1.7
159.11731	5.0
161.13243	7.2
163.03926	13.5
163.14795	4.8
165.12732	4.1
165.16397	3.3
167.14352	2.0
169.12227	2.3
171.11697	2.7
173.13266	4.3
175.14827	5.5
177.16365	3.7
179.14308	5.9
183.13792	1.9
189.16399	4.1
193.15901	3.9
195.13724	1.9
197.15331	2.1
207.17372	3.5
211.17000	2.5
215.17966	2.8
233.18999	4.6
237.18536	2.8
251.20029	4.2
271.24265	6.3
289.25241	18.7
295.25949	1.7
305.24753	2.0
307.26312	49.5
319.26346	2.2
325.27429	10.9
358.44913	2.0
366.17142	1.9
397.27377	3.7
397.85123	2.2
415.28424	6.8
492.05966	1.8
501.28458	3.6
511.81705	2.4
519.29272	5.4
537.30481	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18555	1.0
53.03941	1.8
55.05519	8.3
57.03442	9.5
57.07079	31.0
61.00760	0.9
64.02023	0.9
65.03931	2.0
67.05511	46.8
69.07074	13.8
71.04986	1.4
71.08239	1.4
71.08635	22.8
71.12121	1.9
79.05499	28.3
81.07064	56.6
83.08622	11.5
85.06539	1.0
85.10192	14.2
91.05485	15.2
91.30226	0.8
93.07051	35.0
95.04955	0.9
95.08612	44.5
97.06541	1.6
97.10189	6.6
98.97765	1.0
105.07040	12.6
107.08601	22.9
109.10166	26.1
111.11728	1.6
117.07015	6.1
119.08582	10.7
121.10159	17.6
123.08105	1.4
123.11710	10.5
125.09687	1.1
131.08583	12.2
133.10144	9.2
135.11705	14.6
137.13269	4.7
145.10129	6.8
147.11731	6.7
149.13274	9.1
159.11710	7.6
161.13269	5.6
163.00764	0.9
163.14850	7.6
173.13289	6.6
175.14786	2.1
177.16420	2.5
187.14828	4.2
201.16312	1.5
205.15898	1.2
209.28705	0.8
233.22719	2.1
239.23662	4.9
243.21107	13.3
257.24783	1.3
261.22153	55.9
279.23151	1.9
291.23215	1.3
299.23734	1.5
313.27386	100.0
314.27954	1.3
317.24750	11.6
335.25815	71.1
336.26160	1.4
358.99625	1.0
499.45053	2.2
573.48773	23.1
591.49994	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	591.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
55.05313	1.3
55.05519	14.8
57.03437	12.2
57.07079	41.4
65.03938	3.3
67.05506	48.7
69.07065	17.4
71.08640	25.0
72.04504	4.0
73.34569	1.6
74.24795	1.2
77.99677	1.4
79.05495	37.5
79.10516	1.3
81.07061	58.1
83.08625	14.8
85.06550	3.2
85.10188	13.1
89.06055	1.5
91.05482	19.3
93.07049	46.2
95.04984	3.7
95.08610	55.2
97.06532	3.5
97.10158	6.7
99.08087	2.3
105.07040	14.3
107.08600	29.8
109.10155	19.2
111.08144	2.3
111.87831	1.4
117.07032	5.6
119.08608	10.4
121.10154	20.1
123.11741	7.8
131.08571	12.4
133.10132	5.6
135.11703	15.9
137.09650	2.1
137.13254	4.2
145.10126	11.5
147.11655	7.7
149.13255	12.1
151.14757	1.4
159.11707	6.1
161.13248	5.5
163.11169	2.5
163.14850	10.2
170.31094	1.6
172.54355	1.4
173.13249	9.9
175.14874	3.5
177.16396	5.0
187.14828	5.7
201.16266	1.7
228.80193	1.4
233.22629	4.7
239.23668	2.7
243.21094	24.6
257.24808	2.0
261.22150	54.4
277.21823	1.3
281.13583	1.6
299.15051	2.4
299.23822	1.5
300.15372	2.4
313.27386	100.0
314.27670	3.2
317.24847	9.2
335.25800	66.7
336.25784	1.5
396.25244	2.8
459.21683	1.7
499.45322	2.2
531.23944	2.2
538.38367	2.9
573.48846	23.9
591.26227	13.1
591.38727	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	592.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
55.01883	11.0
55.05518	1.3
57.03429	2.2
57.07090	5.9
58.25263	1.0
59.04999	1.4
59.09708	1.1
63.80204	1.2
67.05513	7.8
69.03428	7.1
69.07081	8.1
70.02955	5.0
71.05001	3.6
72.04521	23.1
72.08164	1.9
73.02925	12.7
74.02431	1.4
79.05492	2.4
81.03429	14.6
83.04990	5.3
84.04491	1.4
85.02908	8.8
85.06554	10.2
86.09711	3.8
87.08106	2.7
90.05563	33.0
91.05489	12.5
93.07053	4.8
95.04964	8.8
95.08622	3.5
96.08128	2.3
97.02892	9.3
98.02426	18.7
99.04456	4.8
100.03981	6.4
103.03889	1.5
103.05481	2.1
103.07594	4.0
109.02886	29.1
112.07581	1.7
113.06013	6.5
115.03925	1.4
116.03463	20.7
119.04967	16.5
119.08627	1.7
121.06487	9.0
121.10113	1.2
123.08138	2.7
124.07607	28.4
124.08496	1.9
127.03912	15.0
131.04980	1.5
132.06569	9.6
132.10226	1.8
136.42371	1.2
137.05994	1.9
138.05519	4.3
142.08643	27.2
142.09735	1.6
145.05011	6.0
147.04414	17.9
149.06004	9.0
149.09660	1.5
156.10205	2.0
158.04568	2.1
160.09702	6.4
161.13239	1.4
163.03885	1.8
164.07092	1.7
165.05496	8.6
166.08652	5.1
169.05046	1.5
172.09755	5.7
174.11314	7.3
175.03952	2.5
180.06526	1.4
181.05014	1.6
184.09700	36.7
189.09067	1.5
193.04984	9.7
198.07651	5.3
199.05975	5.8
202.10759	100.0
203.11531	1.8
207.13821	3.5
211.06041	2.7
211.09692	9.3
216.08649	5.1
217.07056	4.0
220.11839	23.7
230.10287	13.8
234.09741	13.0
244.11905	2.9
262.12857	19.1
289.12854	2.4
290.13037	1.7
307.13870	2.5
310.12845	14.8
312.49957	1.3
317.66068	1.2
326.14734	1.3
328.13928	97.4
346.15009	33.2
349.14890	1.2
364.16040	55.0
398.18674	2.2
398.68771	5.5
399.18835	2.1
425.60239	1.3
462.16129	2.6
520.17975	2.2
538.19440	5.9
556.20105	10.1
574.21484	5.6
592.27820	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	592.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.05508	3.7
56.05046	2.9
57.07080	2.3
60.04517	3.3
64.42268	1.5
67.05499	18.2
69.03422	3.5
69.07066	2.9
71.04985	2.9
71.52569	2.0
73.47329	1.5
79.05489	11.6
80.05035	2.4
81.07047	14.9
82.06584	3.2
83.08611	4.1
85.02933	2.4
87.04459	2.8
91.05475	6.6
93.07056	24.8
94.06575	17.0
95.04982	3.9
95.08607	21.2
96.08142	2.3
96.61914	2.0
97.06524	2.6
97.10150	2.8
105.07054	12.5
107.07333	3.8
107.08620	2.7
109.10161	2.3
110.09693	8.3
111.08090	11.9
119.08582	2.0
122.09679	31.6
123.08070	30.1
123.11760	2.4
128.10719	35.0
131.08540	2.0
133.10078	2.5
135.11702	2.5
140.10706	100.0
141.09117	13.2
158.11798	6.4
163.11377	1.6
272.25790	5.7
336.26105	2.3
365.14401	2.0
382.33148	7.3
394.33218	18.5
409.37216	1.8
412.34192	67.8
467.44446	2.0
533.71887	1.8
574.33917	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	592.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57388	4.5
53.03921	5.4
55.05505	12.3
57.03416	5.5
57.07063	7.2
64.95934	4.8
67.05505	30.6
69.07062	9.6
69.31870	4.5
71.08617	15.2
71.52611	7.7
79.05491	44.5
81.07053	43.1
83.04974	7.1
83.08585	6.3
89.06043	5.7
91.05496	30.3
93.07050	48.5
95.04996	7.6
95.08616	25.1
97.10162	4.8
99.08102	9.4
101.89500	4.5
105.07033	25.8
107.08595	20.6
109.10194	9.6
119.08558	13.8
121.10116	14.7
129.06964	6.5
131.08559	7.1
133.10147	5.1
135.11696	22.5
145.10141	7.1
147.11665	13.0
149.13289	6.8
151.11177	7.5
161.13271	6.4
171.11739	8.5
179.14322	40.1
207.13838	9.1
277.21793	29.5
281.17471	42.7
313.27350	8.0
314.27728	8.9
335.25778	12.2
336.25980	9.1
351.25351	17.8
360.92670	5.0
381.71939	4.5
430.21500	5.5
430.51587	4.5
485.18808	5.3
486.23627	8.0
532.23889	16.3
538.23468	5.2
557.38464	100.0
592.26440	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65248	0.4
56.96548	0.6
60.54643	0.4
65.27544	0.4
66.65369	0.4
69.87846	1.6
69.88262	0.8
79.05486	0.7
82.99838	0.8
85.02886	1.3
91.05431	0.6
97.02885	0.9
98.97581	1.8
101.00287	0.6
101.00891	7.4
105.07031	0.8
113.00863	0.8
115.02423	1.0
116.98600	0.7
119.01936	5.6
119.04941	1.0
127.02441	1.1
131.01866	1.8
133.01265	0.4
133.03484	0.7
137.05969	0.6
139.02449	0.6
143.01909	17.4
145.03511	2.9
145.04945	0.6
147.01378	0.9
147.04367	2.9
153.03969	1.6
155.01872	2.2
155.05565	0.5
157.03432	1.0
158.99657	0.8
161.01749	0.6
161.02997	8.8
161.04355	1.0
163.02533	0.4
163.06036	4.3
164.07072	0.4
165.05437	1.6
167.01923	1.1
169.03508	0.6
170.99590	0.6
171.05017	1.8
173.03038	2.3
175.03905	1.1
177.00711	0.6
177.03983	0.6
179.01823	0.5
179.05574	1.3
181.03494	3.4
181.07059	3.2
185.02989	2.3
185.04480	0.7
189.03984	4.0
191.05617	0.5
193.04988	9.6
193.06776	0.8
195.05025	2.4
197.02876	0.9
197.06577	1.5
199.04564	2.5
199.08109	1.2
203.04002	5.9
203.05627	0.4
205.03461	2.5
207.05040	10.0
207.06978	0.6
209.06642	0.6
217.09320	0.5
221.04945	5.8
223.04538	5.2
223.08145	1.5
225.06058	5.4
229.03470	1.1
231.05122	2.4
233.03003	2.0
233.06593	1.2
235.04480	1.7
235.08133	1.1
237.02763	0.5
237.06085	1.0
239.06055	0.8
241.05659	2.1
243.07170	2.1
245.04947	3.0
247.04538	4.7
249.06218	3.1
251.04065	8.5
253.05606	0.8
255.07053	0.7
257.02966	1.2
259.04480	0.9
263.06171	0.9
265.03140	0.5
265.05493	3.0
267.07101	3.6
269.05072	1.6
272.06647	0.5
274.25327	0.4
275.03958	10.5
277.05557	0.6
279.06998	1.1
285.08206	1.5
289.05527	0.7
293.05051	28.7
293.07538	1.1
297.47055	0.5
303.07138	1.0
309.08273	0.9
311.06125	100.0
312.06342	1.2
316.06558	0.7
321.08191	0.5
325.07687	10.5
327.03909	0.5
329.07263	11.5
334.07700	1.1
343.08813	1.8
351.09262	4.5
353.07190	31.5
369.10242	2.8
371.08481	3.8
387.11295	0.9
395.08188	2.3
397.58002	0.6
413.09320	52.4
414.09488	0.8
431.10379	62.2
432.10397	1.2
454.11789	2.7
473.11432	15.9
503.12454	4.3
503.83405	0.6
514.26105	0.5
533.14069	0.6
549.16254	0.8
593.15955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2758
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
56.44355	0.3
57.33695	0.2
70.68002	0.8
77.29375	0.3
99.37542	0.3
116.89669	0.3
126.06569	0.3
190.21077	0.4
387.16348	0.4
388.16965	0.3
389.17599	0.4
390.18875	0.3
402.18536	0.7
403.19241	1.7
404.20129	0.5
405.20572	1.7
417.16437	0.7
417.21625	1.8
418.21750	1.0
419.22372	2.5
430.17700	0.6
431.18240	6.0
431.23572	0.5
432.19424	1.3
433.24216	4.4
434.24826	0.8
445.19885	5.9
446.20914	2.9
447.21707	4.6
459.21393	2.7
460.22620	7.9
461.23367	6.1
473.23618	1.5
474.24741	0.5
476.26233	0.5
477.22815	0.4
487.25259	0.7
489.19635	0.4
489.26712	0.4
491.24579	0.9
492.25146	0.8
505.22064	4.3
515.24133	0.5
518.23633	0.5
519.24133	0.7
533.25531	21.5
564.24036	0.4
565.28302	0.7
575.26550	0.5
593.27612	100.0
594.27826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02648	0.2
65.38717	0.2
69.22591	0.2
69.45228	1.9
74.22264	0.3
83.65479	0.3
93.06113	0.3
98.21574	0.6
140.51045	0.3
262.66864	0.2
277.74380	0.2
350.17041	0.3
375.16425	0.3
387.15936	0.4
388.17099	0.2
389.17697	0.6
392.21329	0.2
402.18521	0.7
403.19144	2.8
404.20145	0.7
405.20685	1.4
415.19537	0.5
416.19885	0.8
417.21329	4.0
418.21741	1.9
419.22424	2.6
430.17444	1.2
431.18259	7.7
432.18552	1.7
432.24344	0.4
433.24179	5.9
434.24789	0.7
444.19415	0.6
445.19955	9.0
446.20822	3.7
447.21710	4.2
448.23270	0.3
459.21442	3.0
460.22601	10.2
461.23361	9.4
463.21280	0.4
473.23758	2.1
474.24191	0.8
476.25882	0.9
477.22241	0.5
487.25092	0.8
489.26865	0.6
491.25128	0.4
492.25320	1.3
504.21524	0.3
505.21927	3.6
515.24579	0.4
518.23254	0.6
519.23785	0.7
533.25543	37.5
534.25665	0.6
547.27258	0.4
561.25281	0.5
564.23480	0.6
565.28540	0.7
575.26453	0.4
578.25488	0.4
593.27625	100.0
594.27643	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	6.0
55.01855	3.6
55.05516	13.6
57.03436	3.3
57.07075	5.7
59.05026	2.0
59.88806	1.0
61.02921	2.8
67.05508	24.3
68.99805	1.1
69.03427	14.1
69.07070	36.4
70.96725	2.7
71.05000	3.6
71.08625	2.8
73.02930	1.9
79.05495	15.6
81.03422	9.6
81.07057	100.0
83.04963	1.6
83.08620	14.7
84.59561	1.1
85.02909	26.0
85.06538	10.8
87.00826	12.9
91.05482	6.3
93.07049	23.7
93.37524	1.1
93.66799	1.4
95.08611	85.9
96.02000	1.0
97.02895	13.1
97.06522	3.6
97.10173	8.6
99.04469	4.0
99.08097	5.9
100.54581	1.2
101.74799	1.0
102.47945	1.4
105.01868	10.3
105.07034	7.7
107.04953	2.2
107.08599	30.1
109.02886	7.9
109.06510	1.9
109.10160	44.1
111.04394	1.5
111.08081	8.6
111.11728	8.0
113.09635	2.0
117.07014	1.5
119.08598	7.6
121.06531	1.6
121.10149	16.9
123.04452	1.5
123.08082	1.7
123.11717	35.4
125.09647	2.2
125.13281	3.1
127.03917	16.8
127.11199	3.6
131.08591	3.3
131.56558	1.2
133.10129	4.3
135.04443	3.2
135.11691	17.5
137.05992	2.0
137.13249	19.3
139.11208	2.1
143.08559	2.1
145.02872	1.8
145.04965	4.0
145.10095	2.8
146.03159	1.2
147.11690	6.3
149.13264	31.2
149.59106	1.1
151.11169	1.5
151.14845	7.0
153.12697	7.7
155.14314	3.4
157.10201	1.8
159.02943	2.1
159.11827	2.0
161.13245	3.0
163.03935	19.1
163.07507	1.5
163.14816	19.3
164.04248	7.9
165.12785	1.3
165.16432	3.0
167.14326	4.8
173.15419	1.5
175.14803	1.6
177.09174	1.7
177.16393	8.0
179.17958	2.0
185.13266	1.3
189.16379	2.2
191.17970	4.0
197.96205	1.1
203.17976	2.6
205.19563	1.7
209.19017	1.3
217.19484	3.5
231.04887	6.0
233.11717	3.4
234.12044	2.8
235.20680	2.6
239.23544	1.6
247.24129	1.3
249.05957	1.6
251.12723	1.2
273.25781	7.5
279.26810	5.8
281.82724	1.1
285.07620	5.0
291.26816	30.6
292.38913	1.3
297.27798	4.1
303.26733	1.7
309.27875	26.0
325.09247	2.5
326.09552	2.6
327.29129	6.0
345.30023	4.1
399.28989	2.6
405.54980	1.2
417.30252	2.4
485.29208	1.6
503.29926	3.4
521.30884	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	593.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18525	1.6
53.03944	3.9
55.01872	4.2
55.05515	20.1
57.03427	4.3
57.07084	12.0
59.05009	4.6
59.52749	1.7
65.03941	2.8
66.03165	2.0
67.05511	32.1
69.03434	15.7
69.07075	49.1
71.05000	8.2
71.08630	2.8
71.52240	2.3
79.05504	16.3
79.35069	1.7
81.03419	12.7
81.07066	65.6
83.08627	28.4
85.02908	21.0
85.06561	9.9
87.00842	10.8
89.06030	3.8
91.05504	9.4
93.07055	32.4
93.46529	1.8
95.04987	2.5
95.08618	100.0
97.02905	7.2
97.06528	8.1
97.10177	12.1
99.04480	4.6
99.08109	4.7
100.85174	1.9
105.01865	5.6
105.07025	12.8
107.08616	29.8
109.02878	7.9
109.06481	2.4
109.10168	34.4
111.08080	19.4
111.11727	8.1
117.03392	3.4
119.08600	9.2
121.10166	18.9
123.11727	32.1
125.09625	4.0
125.13285	4.3
127.03922	18.5
127.11256	2.8
131.08586	3.2
133.10143	5.4
135.04442	4.9
135.11707	14.2
136.04785	3.7
137.05923	2.0
137.09668	2.3
137.13263	15.4
139.11205	2.2
141.56911	2.0
145.02855	4.5
145.04979	2.8
145.10152	2.8
147.11803	4.4
149.13278	31.3
151.14835	4.6
153.12776	3.4
155.14371	2.0
159.02927	2.6
161.09650	2.1
161.13330	3.1
163.03920	44.7
163.14833	5.6
164.04242	19.7
165.09146	2.9
165.16458	2.0
167.14359	13.9
177.16394	3.8
185.15407	3.8
186.66122	1.9
191.17963	2.7
199.07489	2.6
221.22658	2.2
231.05217	2.2
239.23799	11.1
271.08041	1.8
273.25870	9.0
279.26877	24.7
291.26898	19.9
291.46805	2.1
297.27960	15.9
309.27914	77.7
309.72177	1.8
327.28946	24.4
344.76144	2.0
399.29221	2.2
521.31097	2.8
575.29388	4.4
593.30499	7.3
610.29974	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	594.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01874	4.7
55.05521	13.0
57.03431	4.1
58.43825	1.9
67.05506	23.6
68.45730	2.3
69.07074	5.8
71.04987	2.5
71.08643	16.3
71.53230	2.7
75.57673	2.3
79.05496	24.2
81.03410	8.9
81.07059	23.5
83.01305	2.9
83.04977	8.2
83.08607	8.3
91.05502	13.3
93.07051	34.7
95.04969	6.5
95.08616	18.9
97.06515	5.3
97.10180	2.7
99.08076	9.8
105.07058	11.7
107.04987	2.6
107.08609	20.5
107.83282	2.5
109.06512	3.7
109.10150	6.2
117.06993	4.0
119.08589	12.4
121.10154	14.1
123.08066	4.6
131.08514	2.9
133.10146	9.3
135.11707	19.0
141.09076	2.8
145.10138	6.7
147.11740	3.8
149.13264	4.8
150.98282	2.4
151.11186	4.1
157.35306	2.3
161.13219	6.3
163.11182	13.3
166.70406	2.3
179.14311	43.6
184.65881	2.2
209.11545	2.4
277.21674	34.6
283.15408	29.5
295.22632	2.7
351.25269	14.0
490.42160	2.5
559.36353	100.0
594.58801	3.9
620.73151	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	595.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.1
55.05502	0.2
55.16247	0.1
57.03439	1.4
61.02931	1.7
68.99816	0.4
69.03419	0.4
69.20718	0.5
69.21136	0.6
71.01338	0.2
71.04996	9.5
73.02910	0.7
75.04482	0.5
79.05467	0.1
81.03439	0.2
83.04987	0.4
85.02906	11.7
87.04465	0.3
88.29924	0.1
91.03954	1.1
97.02894	0.8
99.04485	0.2
103.03951	0.1
105.03392	0.2
107.04967	0.3
109.02863	0.2
111.00806	0.6
111.04441	0.5
121.02875	1.9
127.03873	0.5
129.05481	3.2
129.06956	0.2
133.02826	0.3
137.02335	0.6
145.04948	0.3
145.06465	0.1
147.04430	0.4
147.06482	0.9
147.19643	0.1
151.64465	0.1
153.01826	2.7
153.23151	0.1
157.06497	0.3
165.01855	1.5
171.04362	0.1
183.02933	0.7
185.06013	0.3
189.05539	0.1
213.05519	1.0
229.05185	0.1
229.94415	0.1
231.06581	0.6
241.04974	0.6
243.06532	0.1
258.05222	0.8
259.06067	0.3
269.04431	0.2
287.05496	100.0
288.05878	0.7
299.05582	0.1
329.06683	0.2
331.59503	0.1
431.09369	0.1
449.10690	0.6
525.59680	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03939	0.3
55.01854	0.2
55.05483	0.2
55.90360	0.1
55.91508	0.1
57.03439	1.7
61.02916	0.7
68.99791	0.4
69.03081	0.2
69.03427	0.9
69.40434	0.4
69.40845	0.8
71.04993	9.4
73.02906	0.3
75.04458	0.4
81.03406	0.7
83.04958	0.5
85.02907	13.7
87.04444	0.3
91.03941	0.2
93.10150	0.2
97.02890	1.1
109.02866	0.5
109.62170	0.2
111.00800	0.6
111.04414	0.3
121.02866	1.9
127.03921	0.8
129.05487	2.5
133.02846	0.4
137.02362	0.7
145.04941	0.6
147.04379	0.4
147.06474	0.9
153.01828	2.6
157.06473	0.3
161.05975	0.2
165.01849	1.3
183.02898	0.7
189.05667	0.2
203.06938	0.2
213.05453	1.0
231.06506	0.5
241.04912	0.8
258.05249	0.9
259.06012	0.4
263.24283	0.2
269.04453	0.2
287.05499	100.0
288.05869	1.0
349.73734	0.2
449.10803	0.5
509.46072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.9
55.01633	3.6
55.01875	46.9
57.03431	7.9
61.02923	9.3
65.03934	2.8
67.05499	4.3
69.03433	45.5
71.01335	2.9
73.02917	8.2
79.05497	16.5
81.03421	28.9
81.07063	2.7
83.01339	3.3
85.02908	85.9
87.04449	3.3
91.03943	3.6
91.05479	31.6
93.07043	11.4
95.01292	3.9
95.04959	17.2
97.02897	39.1
98.21525	5.7
99.04443	10.5
101.02371	7.3
103.05470	9.8
103.86198	2.4
105.07040	9.0
107.04965	41.5
109.02894	44.2
109.06502	4.3
110.03667	2.6
111.04427	3.7
115.05435	9.5
117.07020	10.5
119.04929	14.9
121.02887	7.0
121.06506	100.0
123.04420	15.0
127.03925	24.4
128.06209	5.3
129.06993	7.5
131.04915	6.9
131.08672	3.0
132.83487	2.5
133.06520	13.0
135.04456	16.5
135.08087	3.3
137.02353	9.4
137.05998	23.1
139.03882	5.8
141.06969	5.7
143.03403	5.2
143.08551	3.0
144.05794	2.9
145.04977	9.7
145.06467	21.2
147.04469	12.9
147.05876	2.9
147.08040	6.2
147.31345	2.6
149.02328	14.8
149.05994	16.4
149.07422	6.2
151.03899	5.4
153.05467	6.9
153.06993	4.5
155.08472	2.9
157.06468	32.4
158.07175	2.9
159.08047	15.9
161.05995	14.4
163.03879	15.7
163.07559	14.9
165.05516	5.2
165.06999	8.6
166.07816	2.8
167.07045	9.1
167.08580	6.9
169.06474	8.7
171.08073	7.6
173.05997	17.9
175.03902	7.4
175.07576	10.3
177.05444	15.3
178.07887	3.6
179.08527	5.1
181.04962	40.9
181.06493	10.6
182.07323	3.3
183.08040	7.2
185.05957	8.7
187.07552	5.3
189.05482	29.6
190.07758	4.8
191.07057	6.8
191.08548	5.4
193.05005	3.2
193.08487	3.2
193.10172	3.5
194.07301	5.7
195.08070	12.1
197.05995	6.0
197.09567	4.4
199.05936	5.3
199.07552	6.2
201.05463	8.9
202.07828	5.5
203.06981	12.2
203.08659	3.8
205.04935	4.0
205.06706	3.1
205.10213	3.6
207.08121	9.4
208.08701	3.1
209.09612	9.4
211.07542	7.2
213.05510	3.2
213.09129	4.4
215.07001	4.4
215.08775	5.3
217.05022	7.8
217.07085	18.1
218.07281	5.1
219.06505	21.4
219.08311	4.9
221.06126	3.3
221.08023	11.3
221.09828	6.2
223.07622	4.0
223.11092	6.2
225.09096	8.5
229.04990	18.4
231.06352	31.5
232.08827	3.1
233.07782	3.5
233.09824	6.0
236.08354	4.0
237.07567	9.6
239.10869	3.5
241.08617	3.8
248.08675	2.9
249.09348	6.1
251.07079	3.4
251.10689	9.6
252.07793	5.8
253.08662	11.9
255.10123	4.2
257.54446	2.8
261.07504	10.3
261.09622	4.3
265.08704	4.9
267.10172	11.7
271.09808	3.8
275.10657	2.9
277.06662	14.5
279.10355	16.5
281.08258	3.9
283.09573	7.4
287.05524	35.7
291.10080	3.7
295.09793	45.7
297.11191	9.8
303.13733	7.9
307.09634	11.3
310.14072	2.8
313.10593	26.4
321.11264	3.1
325.10693	25.2
337.10837	5.9
343.11768	15.7
349.10703	25.1
351.12338	8.7
355.11597	4.3
361.12769	4.1
367.11752	54.4
369.13330	4.8
379.11807	13.6
397.12906	23.3
403.13745	17.3
415.14035	15.4
433.14944	29.9
529.17017	14.5
559.18140	3.4
595.19794	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	595.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
53.94514	0.4
54.72249	0.5
55.01865	0.7
55.05516	0.5
57.03434	0.9
60.66773	0.4
61.02923	0.9
65.03944	4.6
67.05495	1.6
69.03433	3.7
69.51578	3.0
70.06589	0.5
73.02895	0.5
79.05496	9.5
81.03420	1.6
81.07069	1.2
82.04196	1.5
83.08611	0.7
84.08118	0.5
85.02908	7.6
91.05470	1.5
93.03397	0.9
93.07045	0.7
95.04973	4.4
97.02884	2.0
97.06523	1.9
98.20731	0.7
99.04455	0.6
103.05470	1.1
105.04522	1.1
105.07040	4.6
105.07726	0.7
107.04958	24.0
108.02101	0.9
109.02858	0.9
109.06450	0.6
110.03655	2.7
111.04433	1.0
115.05458	1.9
117.07039	2.4
119.04924	0.7
121.02894	0.5
121.06499	1.1
122.03663	0.5
123.04441	3.8
124.05217	2.7
125.05994	3.2
127.03885	2.0
129.09123	1.0
131.04910	1.2
133.06512	5.7
135.04482	0.6
137.05952	1.3
138.03133	1.1
140.04677	1.2
142.02615	3.4
145.04984	0.7
145.06480	3.6
147.04396	2.3
149.05972	0.9
152.04700	1.7
153.05464	1.9
155.05962	1.0
155.07033	1.8
161.05975	9.9
163.03899	2.5
164.07025	0.6
167.07051	37.8
171.06520	3.4
173.06023	2.5
173.15649	0.4
177.05359	0.5
181.04959	100.0
182.05284	0.6
182.07225	0.5
183.06522	1.8
187.07516	0.5
189.05447	1.7
190.06303	0.5
191.07010	1.1
193.08612	10.8
201.05460	1.2
205.08571	2.4
206.05760	1.3
207.06534	1.3
217.08652	0.7
218.05733	0.7
221.08096	25.6
233.08093	13.5
235.07555	0.5
249.07576	7.5
259.43997	0.5
261.07611	5.7
265.08713	1.1
279.08636	1.8
287.05463	2.5
293.08084	0.6
323.09030	0.9
325.10211	0.6
337.10812	1.2
355.11874	0.5
369.13370	0.7
373.12811	0.6
382.10587	0.6
383.11172	1.3
387.14252	1.2
397.12881	1.6
403.13892	45.2
415.13885	32.5
433.15027	20.4
433.20859	0.6
550.87158	0.5
564.57678	0.5
565.19055	7.4
595.19867	5.1
595.26685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
58.99594	1.1
61.01141	4.5
69.03425	3.2
70.73698	1.8
71.06121	8.8
72.04511	5.7
73.02929	1.4
77.00635	12.0
78.03790	10.6
79.05512	1.0
81.03426	1.3
81.07048	3.5
84.94185	0.8
85.02915	5.3
86.06069	24.9
88.02242	2.0
89.67704	0.9
91.05489	2.2
95.04956	2.4
97.02876	2.3
98.02380	0.9
98.06065	5.4
102.03772	14.8
104.14166	0.8
107.04961	3.2
109.06526	5.4
113.06007	1.3
115.08706	5.9
118.03245	24.1
119.04953	2.3
120.04784	3.2
120.66454	0.8
124.07587	1.5
125.07101	1.3
127.03958	1.5
130.03236	3.7
131.06364	9.5
132.04781	7.1
137.05981	23.0
138.76071	0.8
139.02094	1.2
140.18958	0.9
142.08629	5.0
147.04639	1.4
147.05870	56.5
149.07448	74.3
151.02132	16.1
155.06985	2.1
169.03166	2.9
179.05254	4.1
183.11261	0.9
184.09677	3.5
191.08492	1.3
197.06328	10.3
213.12303	1.4
215.07445	1.7
259.11142	1.9
261.12671	4.1
277.12372	1.5
285.12653	5.2
287.05542	13.3
303.13730	100.0
304.14352	0.9
345.14862	3.0
415.18994	13.9
429.17139	1.3
465.19025	54.2
577.24188	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	595.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
61.01141	3.2
65.05889	1.0
69.03442	5.3
70.06588	1.0
71.06122	11.3
71.06956	2.0
72.04518	7.3
73.02908	1.4
76.02216	1.9
77.00633	9.1
78.03804	10.4
79.05482	2.2
81.07047	4.4
83.04976	1.1
84.04504	1.8
85.02919	10.3
86.06073	31.0
88.02205	1.2
91.05476	2.7
92.59589	1.1
95.04972	1.3
97.02910	3.6
98.06074	5.3
102.03777	14.5
107.04951	4.4
109.02856	2.1
109.06520	5.2
113.06005	2.5
115.08715	6.3
118.03249	20.5
119.04967	2.6
120.04792	1.6
121.06552	2.5
124.07626	1.1
125.07101	1.6
127.03866	2.1
130.03215	4.8
131.04901	1.4
131.06421	9.3
132.04805	7.6
137.05989	25.5
139.40839	1.3
142.08630	4.5
147.05878	57.5
149.07452	73.1
151.02138	14.6
155.07098	1.7
167.07036	1.6
169.03210	3.0
175.05388	1.1
179.05255	3.5
181.04993	3.4
184.09689	3.9
197.06325	9.1
215.07370	2.2
221.08057	1.5
259.11102	3.0
261.12619	5.5
277.12250	1.4
285.12729	6.4
287.05539	43.9
303.13751	100.0
345.14813	2.7
397.18045	1.4
403.13766	2.2
411.15668	1.6
415.18973	15.4
429.16830	1.5
442.76596	1.3
465.19073	57.5
531.35266	1.4
577.24274	17.3
595.16803	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.05516	8.6
57.03440	7.8
57.07064	1.0
65.03934	1.5
67.05511	29.9
69.03452	1.3
69.07082	9.0
71.04980	1.0
71.52309	1.6
73.29759	1.0
79.05496	16.8
81.03420	5.2
81.07064	28.8
83.08624	3.3
85.02912	2.6
91.05479	8.4
93.07047	16.0
95.04961	1.3
95.08620	21.5
97.06547	2.0
97.48579	1.1
98.98475	11.0
105.07038	5.1
107.08594	6.6
109.02899	3.3
109.10136	7.5
117.07047	2.2
119.08584	3.5
120.07371	0.9
121.10144	9.2
123.11768	1.6
125.09447	0.9
131.08588	2.9
133.10150	2.8
135.11737	4.0
145.10170	2.9
147.11716	1.3
149.13274	1.8
155.01082	2.2
159.11751	2.8
161.13318	1.0
163.14801	1.3
173.02153	1.2
173.13306	1.0
187.14832	1.1
243.21143	1.5
261.03735	3.9
261.22058	2.5
287.05576	11.0
335.07471	1.2
335.25821	100.0
595.30920	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01868	2.5
55.05511	19.1
57.07079	12.9
57.61009	2.2
67.05178	2.8
67.05512	27.3
69.03441	10.0
69.07074	67.6
71.08635	9.4
79.05498	15.1
81.03422	5.7
81.07062	94.8
83.08625	47.3
85.02917	24.7
85.06563	10.6
87.00838	12.0
91.05476	5.6
93.07052	24.5
95.08616	100.0
97.02888	8.9
97.10168	23.7
98.20705	5.1
99.08077	8.5
105.01869	21.7
105.07044	3.9
107.08605	25.1
109.02885	8.3
109.10164	62.5
111.08086	5.1
111.11728	22.6
113.09684	2.5
117.07086	2.5
119.08556	3.0
121.10168	13.7
123.11714	40.1
125.09676	3.3
125.13294	14.3
127.03902	17.8
127.11221	3.3
131.08585	2.7
135.11713	14.4
137.13248	25.8
139.11211	3.7
139.14833	3.3
145.04973	7.4
149.13271	47.1
151.14828	11.0
153.12781	3.1
155.14278	3.9
159.02882	3.1
159.11575	2.4
163.14824	13.0
165.16429	13.6
167.14313	12.6
176.10733	5.3
177.16463	2.9
179.17995	8.9
183.17419	2.8
191.18010	5.1
193.19554	6.6
205.19525	6.5
206.08170	7.3
207.20700	2.3
219.21143	4.6
222.11201	11.3
231.05043	4.9
247.19167	2.6
249.06062	10.2
249.25937	6.8
275.27356	26.9
287.05585	7.4
293.28387	65.6
311.29370	16.4
363.19376	4.1
383.29819	3.0
595.30017	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	595.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54141	3.2
53.03944	4.6
55.01868	5.8
55.05509	21.0
57.07073	13.7
59.73399	3.3
67.05521	33.1
69.03434	25.8
69.07076	54.2
71.08631	4.9
71.37904	4.1
72.24839	2.9
73.02930	5.4
79.05504	8.2
81.03423	16.6
81.07066	98.7
83.08631	27.3
85.02917	47.4
85.06543	12.3
87.00844	41.0
89.22766	3.6
91.05524	4.3
93.07060	22.9
95.04968	5.9
95.08619	100.0
97.02909	23.9
97.10159	21.2
99.04462	6.3
99.08108	6.2
105.01910	20.2
105.07060	8.0
107.08608	21.5
109.02872	15.2
109.10173	62.9
111.11733	19.8
119.08580	5.7
121.10165	11.2
123.11716	33.2
125.13297	9.4
127.03931	45.2
135.11684	8.7
137.13292	19.3
143.14322	8.2
145.04979	11.5
149.13275	20.8
151.14830	21.1
159.02927	6.4
163.14861	10.6
165.16460	8.1
177.16446	5.8
179.18004	6.0
205.19586	3.4
219.01634	3.7
231.05008	11.2
249.25920	4.1
275.27335	14.6
281.28467	12.3
291.26929	4.2
293.28403	35.8
305.28394	4.1
308.14587	3.4
311.29562	26.3
374.17484	4.5
383.29361	4.8
401.30484	5.1
505.31763	6.3
595.32727	4.6
614.16632	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	595.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01871	6.7
55.05511	25.3
57.03436	6.2
57.07077	11.9
61.02924	2.9
62.93190	2.1
67.05511	30.7
69.03440	18.3
69.07073	40.0
71.04993	8.0
71.08634	6.1
71.52788	2.4
73.02917	4.0
73.10384	2.0
79.05487	12.9
81.03434	17.5
81.07056	100.0
83.04967	4.4
83.08627	28.0
85.02904	42.8
85.06542	8.5
87.00832	15.9
87.84854	2.0
91.05472	9.7
93.07039	19.8
94.15938	2.3
95.04964	7.5
95.08609	81.8
97.02895	22.2
97.06533	5.6
97.10160	25.7
98.32056	2.0
99.04456	6.8
105.01861	24.5
105.07034	11.0
107.04956	3.4
107.08586	16.0
109.02868	12.8
109.06519	2.5
109.10158	58.5
111.08079	4.9
111.11710	18.9
115.03963	2.3
115.27292	2.0
117.06956	2.5
119.08598	8.2
121.10132	11.8
123.04512	3.3
123.08171	2.3
123.11703	41.2
125.09648	4.2
125.13258	7.7
127.03922	27.3
131.08574	5.2
133.06525	2.5
133.10129	7.1
135.04442	2.0
135.08073	2.8
135.11702	8.7
137.05984	4.0
137.13280	15.0
145.04979	9.6
145.06473	2.8
145.10101	4.1
146.44002	2.1
147.11668	3.1
149.13281	14.2
151.14810	8.7
157.10117	2.6
159.02913	4.1
163.03922	6.0
163.14810	8.4
165.16438	9.1
171.08060	2.6
173.09549	2.2
175.07533	2.6
175.11238	2.9
177.16420	5.5
179.17979	4.3
181.05070	2.2
183.08034	4.1
183.17554	4.0
183.31177	1.9
185.05956	2.5
191.10664	3.0
191.17941	3.0
193.19550	6.9
199.11279	2.1
231.05019	7.0
243.10110	2.0
249.06097	4.5
270.89008	2.1
275.27368	16.6
287.05542	29.3
291.26926	2.4
293.28387	35.4
305.28262	3.0
311.16687	2.7
311.29361	6.5
317.28262	2.7
329.28668	2.6
332.46005	2.2
335.29391	4.5
383.29660	4.5
401.30460	11.9
419.31683	9.9
434.99545	2.2
487.30121	3.1
493.31226	2.8
503.28000	3.4
505.31851	12.4
523.32648	8.4
550.54431	3.0
577.30511	5.3
595.31909	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	596.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.1
67.05499	9.8
69.03394	4.7
69.07069	7.0
69.16138	45.2
72.34579	5.1
74.42768	4.2
79.05445	4.5
81.03413	6.3
81.07049	15.2
83.08631	5.7
85.02911	8.7
85.15237	4.8
91.05459	8.1
95.08601	15.2
98.20797	9.2
105.06971	6.3
107.08591	8.3
109.10144	12.3
125.06020	6.1
127.03936	7.0
137.05975	17.7
145.06512	5.8
146.07310	6.7
149.54147	5.0
151.07538	41.4
153.05492	8.8
156.39322	4.2
163.03925	6.0
163.07489	4.7
165.07137	4.2
175.07552	5.8
177.09094	19.8
189.09169	11.9
208.62160	4.2
221.05989	14.7
225.09100	9.5
241.15889	5.9
253.08565	16.8
267.10141	6.4
285.11206	50.8
288.05804	7.4
299.20041	13.4
351.15875	10.1
369.17020	18.2
395.98456	5.2
397.16519	15.6
411.55029	4.6
503.20459	12.4
521.14319	7.5
521.21759	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	596.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75870	3.9
53.03936	4.3
55.01875	11.0
55.05520	24.0
57.03442	17.0
57.07068	5.3
67.05510	52.1
69.07079	14.2
71.04996	4.1
71.52973	8.5
75.05414	4.5
79.05502	57.9
81.03429	15.4
81.07063	71.5
83.01357	9.9
83.04989	11.2
83.08611	17.6
84.36501	3.9
85.02910	4.8
85.06578	5.7
91.05486	41.2
93.07049	71.5
95.04962	9.2
95.08608	39.5
97.02909	5.0
97.06534	7.0
97.10190	12.6
105.07016	23.6
107.04946	10.5
107.08608	34.9
109.06554	8.3
109.10153	15.6
117.07019	17.8
119.08565	14.4
121.10172	18.9
123.08076	6.3
125.09661	11.0
129.07004	5.2
131.08574	19.4
133.10193	12.2
134.00441	4.2
135.11720	20.7
143.08653	4.7
145.10124	29.9
147.11705	8.5
149.13243	9.5
161.13373	5.1
163.11214	20.1
163.14793	10.9
173.13231	6.1
175.14771	6.7
187.14833	6.9
189.11273	8.6
199.88333	4.5
201.16484	5.4
209.11787	5.6
227.12852	24.2
233.89729	4.6
243.21170	12.0
258.08841	4.7
261.22217	21.7
283.15424	65.6
299.23621	15.2
317.24771	10.1
328.88885	5.5
335.25769	43.3
359.59546	4.7
509.09225	4.8
525.35596	13.7
543.24219	5.0
543.36969	100.0
561.37750	9.6
590.20398	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	596.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.8
55.01865	3.8
55.05505	22.5
57.03429	14.9
58.56042	3.0
64.94074	3.3
67.05512	64.7
69.03455	3.9
69.06732	3.5
69.07072	20.8
69.81896	15.2
71.04990	4.8
71.08643	36.7
79.05499	62.2
79.86197	3.2
81.03426	50.2
81.06590	6.0
81.07057	71.4
83.04990	26.7
83.08623	22.7
85.02907	20.6
85.06569	5.6
91.05488	52.8
93.07044	72.1
95.04974	28.8
95.08611	43.6
97.06523	17.1
97.10149	4.6
98.21520	3.6
99.08098	24.3
105.07037	41.6
107.04952	15.4
107.08591	37.9
109.06514	8.9
109.10164	14.8
111.08089	7.9
113.06062	3.7
117.07019	4.2
119.08588	32.5
121.10158	30.1
129.07013	12.2
131.08606	16.3
133.10132	23.3
135.11707	30.9
137.09579	3.4
145.10144	6.2
147.11688	15.5
149.09634	3.7
149.13232	10.8
151.11183	13.3
157.10136	12.6
159.11700	4.1
161.13274	9.0
167.68211	3.5
175.11166	10.4
177.12746	4.6
179.14323	99.4
193.12262	24.9
196.94351	3.3
211.13292	38.1
221.15492	3.5
234.48434	3.4
267.15961	38.5
277.18860	6.7
277.21680	72.8
285.16953	100.0
295.22809	4.7
351.25339	50.5
543.36853	57.2
561.37909	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04195	7.7
53.03954	11.2
55.01871	8.2
55.05508	30.7
57.03431	18.2
57.07087	10.4
61.61700	7.2
65.03959	8.4
67.05225	8.3
67.05515	77.8
69.07076	15.8
70.70054	11.7
70.70409	16.0
72.60616	7.2
79.05502	96.8
81.03423	71.1
81.07059	71.8
83.04976	22.9
83.08620	33.4
85.02916	31.1
91.05492	100.0
93.07056	74.2
95.04971	35.6
95.08620	45.2
97.10153	12.6
98.52274	7.3
105.07043	98.0
107.04973	12.5
107.08588	46.0
109.06499	11.2
109.10190	14.8
111.08083	11.6
117.07008	23.6
119.08588	72.0
119.87405	7.7
121.06541	7.6
121.10174	30.5
129.07001	22.5
131.08583	49.3
133.10150	60.7
135.11697	18.8
143.08556	11.4
145.10139	24.5
147.11697	37.6
149.09576	8.3
157.10121	30.7
159.11716	28.0
161.13298	16.6
171.11771	16.8
175.11166	22.4
175.14934	8.0
185.13181	11.3
193.12231	58.6
199.14864	9.1
201.20506	7.7
211.13257	63.1
224.13237	7.8
241.19498	29.9
259.20575	61.0
267.15887	22.0
275.19876	8.6
285.17023	58.4
314.64206	8.3
333.24219	70.9
355.26462	8.5
433.30963	9.5
479.35126	9.8
525.35498	16.0
543.37213	45.7
596.48499	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	596.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01878	3.6
55.05519	26.2
57.03453	20.1
57.07064	5.7
61.96929	2.2
65.03921	2.8
65.27203	2.1
67.05513	66.9
69.06738	2.3
69.07081	28.5
69.67046	9.8
69.67478	3.2
71.04984	5.8
71.08627	3.2
72.47962	2.1
79.05499	31.3
81.03429	78.8
81.06604	3.9
81.07069	64.0
83.04972	6.4
83.08632	26.5
85.06531	3.3
91.05486	31.0
93.07056	27.0
95.04979	24.9
95.08073	3.1
95.08622	48.5
97.06528	6.8
97.10178	11.0
98.20846	3.6
102.09212	2.6
105.07050	23.5
107.04948	8.4
107.08620	16.0
109.06544	4.4
109.10155	21.2
111.08090	9.4
117.06995	4.3
119.08601	22.4
121.06495	2.8
121.10136	16.9
123.08088	3.6
123.11686	10.1
129.07031	9.9
131.08554	7.9
133.10167	15.1
135.11693	5.5
137.13277	2.9
145.10097	4.5
147.11653	10.2
149.09622	5.1
149.13301	2.8
151.11150	2.8
157.10135	10.6
159.11707	2.4
163.14905	3.0
165.12817	2.1
175.11214	9.0
175.14957	2.7
193.12262	24.0
211.08992	2.2
227.12857	4.6
245.22737	3.2
263.23700	5.1
267.15942	100.0
311.29373	4.0
312.32755	2.7
337.27402	95.1
365.26819	2.4
420.11047	2.6
437.33780	4.3
455.35089	8.6
503.37183	3.0
529.38971	76.5
547.40039	29.4
561.41125	4.7
595.57208	2.3
596.28235	5.6
596.59546	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	597.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	20.7
57.03435	3.1
61.02935	2.4
69.03428	10.7
69.66086	10.7
73.02916	3.1
79.05495	10.6
81.03442	3.0
81.07065	1.7
84.96043	3.9
85.02925	13.0
91.03965	1.6
91.05479	2.7
97.02894	12.3
97.06525	1.8
98.20727	1.9
98.96941	3.7
98.97593	77.0
99.04468	2.1
100.99142	2.8
101.00884	4.7
107.07952	1.6
107.08596	8.9
109.02863	1.7
109.06535	2.9
110.97588	21.2
112.65879	1.6
112.99146	51.3
116.98627	21.5
119.01906	6.2
121.06576	3.1
124.99122	14.3
126.97027	2.0
127.02388	1.8
127.03924	6.1
127.18446	1.6
128.98604	20.1
130.93289	3.0
131.00179	36.4
131.01872	4.5
134.99606	2.1
136.06233	1.8
137.05974	4.4
140.02411	2.0
140.98654	2.9
143.00201	20.6
143.01941	8.2
143.10698	1.7
144.98132	1.9
145.01682	4.1
145.03554	2.5
145.04901	2.1
146.44370	1.7
146.99655	5.3
149.01215	8.3
152.98639	2.2
153.02200	2.4
154.93350	5.3
155.00151	3.2
155.01877	5.1
156.96606	1.9
157.01724	3.3
158.99673	33.8
161.01259	11.5
161.02928	7.4
163.02763	1.8
164.05922	2.5
164.07195	2.1
167.00269	2.1
169.03474	5.7
169.05423	8.4
170.99635	13.8
171.03291	5.0
172.05777	3.6
172.94394	4.3
173.01262	58.7
173.02931	9.7
174.97652	2.0
175.02838	2.7
177.00725	17.1
177.04292	2.1
183.03239	1.9
183.08635	2.7
185.01244	3.7
185.03012	2.3
187.02809	5.5
187.04506	4.9
187.06389	5.9
189.00783	12.5
189.06024	2.3
190.95618	2.1
191.02313	24.6
191.03902	3.6
193.03777	4.0
195.03314	9.0
195.04903	2.1
196.94386	2.2
199.04613	2.3
199.06453	6.4
201.00697	8.9
202.46999	2.0
203.02295	7.6
203.03990	3.6
205.03873	4.2
210.97607	2.0
211.02757	4.2
213.04361	30.8
213.06317	2.8
214.95395	4.4
215.02299	3.1
215.04082	3.8
215.05971	2.3
216.98698	3.1
217.07513	2.9
218.99817	3.5
219.01801	44.4
220.02396	2.2
221.03281	3.3
221.05130	9.3
225.09821	3.7
226.04170	2.3
226.95374	3.0
228.98700	2.9
229.03882	2.7
231.05405	10.5
232.96478	2.9
233.03358	9.8
237.02788	28.6
238.03226	2.8
239.07736	9.5
243.05763	2.0
244.96548	2.6
249.06320	3.0
253.03816	2.9
254.09093	8.2
254.59229	2.9
255.05470	24.0
256.96277	2.0
261.02905	5.4
263.04422	5.4
268.07028	2.3
271.05042	2.7
272.06671	5.0
273.06473	5.7
274.99481	2.1
275.04297	2.5
279.03885	7.8
279.09216	2.0
281.05438	12.3
293.05417	3.7
295.07129	1.8
296.99539	2.4
297.11942	1.9
307.00046	2.3
309.04849	5.3
315.07565	4.1
321.04993	5.3
321.10303	2.1
325.01697	2.5
330.08786	2.0
337.08087	37.9
343.10861	1.9
345.13904	2.9
347.08957	2.2
349.09647	2.6
350.10477	2.6
353.07138	4.2
355.09018	13.6
359.10840	2.1
361.11612	14.3
363.13669	6.0
369.11221	1.9
375.09680	9.2
379.12778	22.7
393.10529	4.6
402.14337	2.3
412.98727	4.4
417.14966	6.8
421.14105	14.3
423.08545	2.4
429.06564	2.4
435.16373	2.1
436.13470	4.0
445.00076	2.5
449.08060	2.2
477.02451	8.0
477.12552	9.4
505.06918	4.8
507.17300	3.1
521.15472	100.0
537.14404	3.3
597.21680	31.8
597.30096	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	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
56.80753	0.8
58.97298	0.9
61.02923	1.4
69.03416	2.2
69.53239	5.8
78.04696	1.0
79.05491	4.8
81.03426	14.1
85.02911	9.5
91.03973	1.0
91.05469	2.8
97.02882	2.9
103.05455	3.3
105.07030	1.7
107.04398	0.8
107.04973	8.8
115.05457	5.8
117.07025	14.3
117.83810	0.8
123.04414	4.2
124.05217	1.2
127.03918	3.0
128.06311	1.2
129.07011	1.8
131.04933	1.7
131.08571	2.9
133.06458	1.8
141.07018	1.5
144.05652	3.3
145.04988	3.1
145.06491	33.0
147.04372	1.1
147.08105	1.3
153.05493	1.0
155.06001	5.2
156.05748	7.9
157.06494	2.2
159.08098	4.8
160.05199	1.0
161.05980	3.3
167.07051	49.0
172.05176	1.7
173.05995	65.2
175.07545	0.9
176.04549	1.2
177.05405	1.5
180.08644	4.1
181.04857	1.4
184.05142	2.9
187.07574	7.4
190.06265	37.9
191.07039	3.2
193.08578	2.9
202.06313	4.6
203.06981	6.8
205.08617	100.0
206.09061	1.0
207.06477	1.5
215.06998	1.7
217.08603	41.0
219.08173	1.5
219.10052	4.4
223.09654	2.4
234.08357	1.2
235.09674	33.5
247.07475	1.4
247.09660	7.5
248.08374	1.8
256.07156	1.1
263.10696	1.3
264.07861	1.3
265.10745	36.8
269.08133	1.1
271.09732	1.4
271.66168	0.8
291.10193	1.2
308.10419	1.3
309.10983	1.3
315.08582	3.6
319.09723	1.0
323.12698	1.4
330.10950	5.0
331.11862	2.0
337.10712	1.1
339.12094	1.3
351.12292	3.1
366.29193	1.1
371.14987	3.8
383.14920	11.3
401.15991	14.4
602.47229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
56.80753	0.8
58.97298	0.9
61.02923	1.4
69.03416	2.2
69.53239	5.8
78.04696	1.0
79.05491	4.8
81.03426	14.1
85.02911	9.5
91.03973	1.0
91.05469	2.8
97.02882	2.9
103.05455	3.3
105.07030	1.7
107.04398	0.8
107.04973	8.8
115.05457	5.8
117.07025	14.3
117.83810	0.8
123.04414	4.2
124.05217	1.2
127.03918	3.0
128.06311	1.2
129.07011	1.8
131.04933	1.7
131.08571	2.9
133.06458	1.8
141.07018	1.5
144.05652	3.3
145.04988	3.1
145.06491	33.0
147.04372	1.1
147.08105	1.3
153.05493	1.0
155.06001	5.2
156.05748	7.9
157.06494	2.2
159.08098	4.8
160.05199	1.0
161.05980	3.3
167.07051	49.0
172.05176	1.7
173.05995	65.2
175.07545	0.9
176.04549	1.2
177.05405	1.5
180.08644	4.1
181.04857	1.4
184.05142	2.9
187.07574	7.4
190.06265	37.9
191.07039	3.2
193.08578	2.9
202.06313	4.6
203.06981	6.8
205.08617	100.0
206.09061	1.0
207.06477	1.5
215.06998	1.7
217.08603	41.0
219.08173	1.5
219.10052	4.4
223.09654	2.4
234.08357	1.2
235.09674	33.5
247.07475	1.4
247.09660	7.5
248.08374	1.8
256.07156	1.1
263.10696	1.3
264.07861	1.3
265.10745	36.8
269.08133	1.1
271.09732	1.4
271.66168	0.8
291.10193	1.2
308.10419	1.3
309.10983	1.3
315.08582	3.6
319.09723	1.0
323.12698	1.4
330.10950	5.0
331.11862	2.0
337.10712	1.1
339.12094	1.3
351.12292	3.1
366.29193	1.1
371.14987	3.8
383.14920	11.3
401.15991	14.4
602.47229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.1
53.03944	7.1
55.01873	3.2
55.05509	4.5
57.03434	2.7
57.07076	0.6
60.45853	0.7
61.02924	3.6
65.03939	1.9
67.05495	3.9
69.03430	14.8
69.07067	3.3
70.06573	1.5
71.01366	0.8
71.04996	2.2
71.52336	0.9
72.08793	0.6
73.02914	2.7
77.03912	1.6
79.05494	12.6
81.03422	15.0
81.04540	2.3
81.07057	7.1
83.04974	1.7
85.02906	44.2
87.00832	14.5
87.04453	1.2
91.03934	1.1
91.05483	20.8
92.53035	0.7
93.07045	87.4
94.07845	0.8
95.04958	4.2
95.08607	9.0
95.31732	0.6
97.02893	18.8
97.06536	1.8
99.04445	7.1
105.01870	29.0
105.04493	1.8
105.07040	7.9
107.08595	100.0
109.02880	14.1
109.06501	1.8
109.10149	2.8
115.03920	1.6
117.01874	1.2
117.04204	0.7
117.07025	1.0
119.06071	1.0
119.08599	3.0
121.06560	0.7
121.10136	1.6
121.74249	0.6
123.11697	0.7
127.03922	34.9
129.01820	1.5
131.08585	1.2
133.10112	2.1
135.04422	1.2
135.11696	86.2
136.12042	0.9
137.13266	3.2
145.03030	1.2
145.04967	18.6
145.10165	0.9
147.02838	1.0
147.07999	0.7
147.11691	1.7
151.11209	0.9
153.12766	9.1
157.10139	1.0
159.02919	7.9
159.11682	1.5
160.91812	0.6
163.03934	7.8
163.06082	0.9
163.07561	0.7
165.12758	1.1
175.11227	1.1
177.12791	0.8
187.07661	0.7
189.03946	1.6
207.13863	0.6
210.11295	0.7
213.03925	2.4
226.06125	1.2
231.05023	14.2
241.08392	2.2
242.09290	1.2
243.13803	1.8
244.10739	0.9
249.06061	8.9
256.10760	5.0
261.14874	1.7
274.11838	12.4
279.15912	0.9
297.17010	0.9
347.14902	1.4
365.15964	1.5
383.16891	2.4
598.34705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.0
53.42700	2.1
55.01864	3.7
55.05316	2.1
55.05516	22.1
57.03438	21.9
57.07063	5.0
63.36464	2.1
67.05511	71.3
68.08431	2.5
69.07077	19.2
70.10597	9.5
71.04966	6.0
72.21632	2.1
79.05498	46.6
81.03426	85.7
81.07061	63.8
83.04977	8.6
83.08612	22.4
91.05487	41.2
93.07054	51.3
95.04983	24.6
95.08060	3.8
95.08617	43.5
97.06525	6.6
97.10152	6.2
105.07041	29.2
107.04957	4.1
107.08608	30.6
109.06522	5.7
109.10193	20.0
111.08094	3.4
111.69613	2.7
117.07004	6.3
119.08611	26.4
121.06553	2.8
121.10175	29.8
123.08035	3.0
123.11686	6.2
125.09585	3.4
128.06148	2.8
129.06990	9.1
131.08580	24.3
133.06493	3.7
133.10138	16.0
135.11755	11.7
139.11237	2.8
143.08577	3.9
145.10132	12.2
147.08083	4.0
147.11725	12.7
149.09647	7.2
149.13272	5.6
157.10179	12.6
159.11690	8.3
161.13199	3.7
163.11137	3.0
163.14822	3.1
173.13289	6.4
175.11212	10.8
175.14781	2.5
183.11670	2.3
185.13219	3.7
187.14888	2.9
189.11223	3.9
193.12280	18.5
227.12811	6.3
243.21039	5.4
249.14832	4.0
261.22156	16.1
267.15927	100.0
285.16766	2.4
301.25253	7.1
317.24741	3.7
335.25812	91.9
435.32513	5.1
453.33502	9.3
471.34610	2.9
527.37408	46.2
545.38306	27.9
598.38043	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80828	3.4
53.03932	9.3
53.47084	2.8
55.01859	4.2
55.05522	21.0
57.03433	15.4
57.07046	3.5
65.03933	4.1
67.05505	64.3
69.03436	5.5
69.07085	16.6
69.32224	22.6
79.05135	3.5
79.05496	37.4
80.07168	2.8
81.03424	80.9
81.07059	61.6
83.04980	5.1
83.08608	22.1
84.04513	4.5
85.06499	3.4
88.03329	3.2
91.05488	36.8
91.13055	3.2
93.07053	49.5
95.04959	25.3
95.08609	42.9
97.02885	3.9
97.06555	3.4
97.10166	6.9
101.14647	3.2
105.07031	28.1
107.04951	8.7
107.08601	21.8
109.10141	22.5
111.08105	7.7
114.39684	2.8
117.07018	5.8
119.08582	24.0
121.06530	3.7
121.10143	24.5
123.08059	3.6
123.11713	7.7
125.09640	3.3
126.10972	2.8
129.07022	11.5
131.08568	25.1
133.10097	17.2
135.11702	11.5
137.09662	5.0
145.10150	13.1
147.08098	4.3
147.11737	15.5
148.15096	3.1
149.09590	10.4
149.13266	7.0
157.10100	9.9
159.11710	7.0
161.13216	4.9
163.14742	4.2
173.13237	3.9
175.11197	8.7
175.14874	4.1
187.14793	3.4
193.12277	21.2
214.88301	3.0
227.12689	3.4
243.21149	3.7
246.75093	2.9
261.22150	14.2
267.15927	100.0
301.25226	5.2
317.24670	6.2
335.25797	82.0
339.27170	2.8
359.32373	3.2
390.14319	3.5
407.56735	3.3
435.32440	4.5
453.33795	5.1
471.34991	4.1
527.37378	40.1
545.38617	32.7
563.39099	5.5
598.37622	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	598.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.8
55.05503	30.0
57.03427	16.3
57.07069	17.3
57.11613	5.7
65.03942	7.1
67.05505	98.1
69.03434	5.8
69.07074	32.5
70.06625	4.6
71.04961	8.4
71.08626	7.7
71.26159	9.1
77.45155	4.5
79.05497	70.3
81.03420	45.5
81.07061	100.0
83.04971	17.5
83.08624	31.9
84.04509	43.0
85.02895	20.7
85.06564	5.4
85.10177	6.0
91.05483	56.0
93.05470	4.8
93.07041	80.5
94.50045	4.6
95.04974	26.1
95.08613	73.1
97.02889	6.1
97.06512	9.2
97.10183	7.9
105.07035	35.7
107.04958	6.5
107.08607	41.7
109.02876	5.6
109.06541	5.3
109.10155	37.9
111.08072	11.2
117.07021	9.7
119.08595	36.6
121.10121	46.6
123.11710	19.6
129.07007	10.8
131.08588	30.9
133.06448	4.7
133.10152	24.8
135.11684	19.1
137.09586	6.3
137.13252	10.0
143.08640	4.8
145.10109	17.3
147.11687	23.1
149.09564	6.2
149.13243	19.8
151.14838	6.6
157.10097	14.5
159.11620	9.4
161.13228	13.6
163.14804	15.1
165.16362	5.9
171.11707	4.5
175.11171	10.5
175.14769	11.9
189.16463	5.1
193.12254	27.3
211.13278	40.6
227.12772	6.5
243.21068	15.3
245.22638	40.3
250.14447	5.7
261.22180	20.1
263.23694	56.5
267.15869	21.2
284.29495	6.2
285.16934	41.1
285.22269	5.3
297.18826	4.7
308.32367	5.3
313.27570	8.8
317.24683	7.4
318.19293	4.4
335.25842	55.1
337.27249	23.6
435.32678	7.1
435.72906	5.1
441.85901	4.8
453.33890	8.6
471.35004	5.9
509.36252	5.0
527.37250	26.6
545.38293	49.4
598.43622	10.0
599.40686	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	598.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
53.68233	3.6
55.05309	3.2
55.05513	32.8
57.03455	17.3
57.07072	5.4
65.03947	3.0
67.05510	92.1
69.03417	4.4
69.07065	23.7
70.96667	8.8
71.05003	3.9
71.08638	7.2
79.05503	58.1
80.44544	3.8
81.03425	31.8
81.06599	6.2
81.07059	100.0
82.00763	3.5
83.04975	12.4
83.08616	30.7
84.04482	5.2
85.02903	9.6
85.06537	6.1
91.05492	49.7
93.06499	5.7
93.07051	89.1
95.04954	15.3
95.08603	41.5
97.06524	14.5
97.10155	10.5
99.08097	10.2
104.00345	3.5
105.07025	38.3
107.04961	4.6
107.08611	36.1
109.06507	6.6
109.10140	11.3
111.08064	12.5
117.07007	11.4
119.08580	27.6
121.10165	33.6
123.11716	4.6
125.09708	5.0
126.23739	3.7
129.07011	8.0
131.08582	20.1
133.10121	20.7
135.11684	13.8
137.09608	7.2
142.07877	3.2
143.08543	6.0
144.17484	2.8
145.10104	8.8
147.11682	9.0
148.47968	3.1
149.09590	5.4
149.13284	24.8
151.11166	13.9
157.10129	9.8
159.11798	15.4
161.03839	3.2
161.13237	6.3
163.11172	11.5
165.12769	4.0
171.11621	5.9
173.13278	5.6
175.11250	6.7
177.08144	4.0
193.12334	18.3
195.13812	12.0
196.69630	3.6
211.13293	30.0
213.14844	3.3
227.12753	9.3
243.21013	8.4
259.20667	3.6
261.22168	8.0
267.15961	5.6
269.17484	60.9
277.21616	13.9
278.56921	3.8
285.16974	25.1
335.25836	23.9
351.25281	13.4
367.24832	3.7
375.23779	3.7
447.31219	6.4
463.30585	80.4
466.11203	3.7
527.37097	24.1
545.38397	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2507
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
55.05511	1.6
57.03437	0.7
57.07083	1.0
59.27225	0.5
62.72752	0.5
64.85976	0.6
65.40509	0.5
67.05508	3.7
69.07087	1.2
69.14899	1.1
69.15301	4.6
72.26525	0.5
79.05508	1.2
81.03413	1.0
81.07064	4.1
83.05000	1.0
83.08631	1.4
85.06537	0.8
89.06056	0.9
91.05500	2.5
93.07042	3.0
95.05020	0.7
95.08639	3.1
97.10146	0.6
105.07059	2.3
107.04924	1.0
107.08590	1.8
109.10198	1.6
111.08109	0.6
119.08591	2.6
120.08068	0.7
121.10164	2.0
125.06042	0.7
129.07002	0.5
131.08603	1.4
133.10118	1.9
135.11710	1.1
143.08546	0.9
145.10159	2.0
147.11748	0.9
153.12685	0.7
157.10196	0.7
159.11681	1.1
161.13300	0.6
163.11182	1.3
165.09172	1.1
169.10239	0.6
171.11713	0.9
173.13229	0.6
175.14885	0.6
181.12227	0.8
187.14886	0.6
196.20956	0.6
207.09181	0.7
221.10945	0.8
221.13428	0.7
221.15488	2.1
223.12360	1.4
233.10664	0.8
235.12517	0.9
237.13918	1.5
238.14682	0.9
249.10281	0.7
249.14122	1.1
251.11996	0.6
251.15486	1.0
261.13989	1.4
264.12665	1.3
276.15213	0.8
279.14957	1.8
283.15433	0.7
298.79190	0.6
313.16132	0.5
314.16638	1.7
324.15021	0.7
325.14789	0.8
328.18054	1.2
329.18945	1.2
330.19699	1.9
336.15112	0.8
337.15637	0.7
337.27658	0.8
338.16205	2.1
338.27917	1.1
339.16214	3.2
340.17709	1.7
349.15378	0.6
350.16281	1.0
351.16415	1.8
352.17859	2.3
353.17899	3.9
354.18515	6.1
356.17569	0.6
358.19180	1.9
363.16003	1.7
364.17276	2.4
365.17749	2.2
366.18790	1.6
367.19583	2.2
368.20401	1.3
369.20786	15.7
369.25168	0.9
370.21573	1.6
374.16794	0.8
375.16223	0.6
376.17728	1.0
377.17776	1.1
379.15131	0.8
379.19342	7.4
380.20490	0.7
381.17227	1.8
381.20959	1.8
382.17960	1.9
389.17963	1.3
391.19672	1.2
393.17062	1.6
393.21332	1.1
394.18042	1.6
395.18668	1.0
395.22986	0.7
396.19379	0.9
397.20389	5.9
398.20770	1.0
401.17145	0.6
405.21237	1.0
407.18460	1.2
409.20303	1.8
410.18234	1.3
419.18713	1.7
421.20514	1.4
423.22028	2.0
424.22995	0.8
425.19788	22.9
426.20947	1.8
433.20389	1.5
433.71426	0.6
436.18997	0.9
437.19717	2.8
438.21762	0.7
439.21304	1.8
440.22336	0.9
441.23074	2.2
444.22906	0.9
448.19186	0.8
450.21600	0.7
451.21481	12.9
452.22342	2.8
453.19049	3.7
455.25061	3.0
456.25546	4.7
461.19940	1.3
462.20609	4.1
463.21533	0.8
465.23026	2.0
466.21338	1.1
467.24500	2.2
468.21957	2.1
469.22540	1.4
479.20804	1.2
480.21780	1.5
483.24170	3.7
484.24738	7.0
489.19250	0.8
493.22394	1.6
495.23761	1.9
497.22089	2.1
511.23538	5.4
512.24280	34.9
521.22168	2.9
539.22925	37.8
540.23004	0.7
549.42328	0.6
555.25830	0.8
567.22180	0.9
571.26111	0.8
581.24481	1.0
582.22491	2.4
599.25073	100.0
599.40717	2.4
600.25665	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.01868	0.9
55.05511	3.3
55.39008	0.4
57.07076	5.9
59.04971	1.8
60.21133	0.5
65.03925	0.6
67.05508	6.8
69.03430	5.6
69.07065	2.7
71.04971	0.6
71.16666	0.5
77.03916	0.6
77.45424	0.4
79.05500	7.2
81.03397	0.7
81.07063	12.2
83.04988	2.8
83.08593	0.8
85.06553	2.4
91.04914	0.7
91.05483	12.9
93.07046	18.0
95.04975	5.4
95.08614	10.7
97.06550	3.6
103.05445	1.0
105.07030	23.0
107.08594	12.4
109.06513	5.1
109.10155	4.1
111.08072	1.3
115.05426	1.1
117.07006	3.6
119.04903	0.8
119.06088	0.6
119.08588	24.3
121.06517	3.7
121.10150	13.2
122.07243	0.7
123.08074	10.1
123.11696	0.9
125.06008	2.3
128.06265	2.6
128.07040	0.5
129.06999	4.0
130.07797	1.3
131.08582	8.0
133.06491	1.7
133.10136	11.1
135.08063	9.6
135.11711	3.5
137.05972	1.0
137.09622	12.2
139.07535	2.4
141.06990	2.8
142.07780	5.7
143.07494	0.9
143.08566	10.2
144.09308	1.7
145.06470	0.8
145.10124	15.7
147.08049	22.4
147.11658	3.3
148.08835	0.8
149.09621	4.0
151.07544	8.9
151.11127	1.1
153.06966	1.2
154.07791	0.8
155.08563	4.8
156.09323	4.9
157.10143	16.0
158.10895	1.0
159.08081	2.9
159.11714	7.8
160.08890	0.5
160.12498	0.5
161.09644	4.7
161.13281	4.9
163.11201	7.7
165.09119	48.6
166.07704	0.6
167.08615	2.3
167.10678	1.9
168.09329	2.2
169.10136	8.2
170.10889	2.5
171.08131	0.6
171.11691	9.9
173.09604	3.9
173.13225	3.5
174.10371	0.8
175.11147	2.5
175.14786	1.9
177.09105	1.7
177.12729	1.0
178.07932	0.4
179.08559	1.5
179.10698	0.6
180.09297	1.0
181.10233	3.1
181.12225	7.0
182.10936	2.7
183.11714	10.6
184.12506	1.0
185.09598	2.2
185.13264	7.2
186.10335	0.7
187.11192	2.8
187.14841	2.5
188.11916	0.6
189.12750	4.3
191.10693	3.8
191.14343	1.4
192.11525	0.6
193.10143	2.2
193.12215	0.7
194.10895	1.7
195.11678	4.6
195.13683	1.4
196.12520	2.6
197.09621	0.8
197.13275	5.3
198.10368	0.7
198.14012	0.6
199.11168	2.9
199.14790	1.2
201.12691	1.7
201.16504	0.5
203.14323	16.9
206.10768	0.7
207.11710	2.8
207.13805	6.3
208.12599	0.6
209.13234	4.0
209.15227	0.9
210.14087	0.7
211.11201	2.2
211.14810	5.0
213.12828	2.4
213.16411	0.9
215.14339	0.9
219.11728	0.9
219.13808	0.8
221.15369	100.0
223.11169	1.0
223.14784	2.4
225.12704	1.8
225.16339	1.1
227.14386	1.1
227.18021	0.6
229.12302	1.0
229.15826	1.8
231.11662	0.7
231.13791	1.2
232.12540	0.6
233.13278	1.2
233.15387	3.0
235.14893	1.5
235.17027	0.6
237.12747	0.8
237.16417	0.8
239.14149	0.7
239.17836	1.1
247.14853	0.9
247.16940	16.4
249.12662	0.7
249.16296	1.2
251.14316	1.1
251.17995	0.9
253.15883	0.6
255.17477	0.7
257.15509	0.8
261.16284	0.7
261.18668	1.1
263.18033	0.7
265.15851	1.0
267.17545	0.6
269.18961	1.0
271.16876	0.9
273.16269	0.7
275.14761	0.5
275.17819	0.6
281.18988	1.8
285.18646	1.0
286.19177	1.3
287.20145	6.4
291.17517	0.7
291.20767	0.5
293.19052	1.1
299.20105	6.1
301.21689	1.1
311.20114	1.5
312.21017	0.7
313.21631	1.8
325.21646	1.6
327.23502	2.4
335.20016	0.8
347.67880	0.5
365.24744	4.5
373.25375	0.7
391.26312	10.0
413.26880	1.7
419.29489	2.8
427.28381	6.0
441.29944	0.9
453.30164	1.8
459.25305	0.6
493.33759	0.7
507.34775	8.5
519.27655	0.5
519.34399	2.6
543.34149	0.6
581.39575	2.3
599.40955	79.4
600.41370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.0
55.01876	8.4
55.05497	5.5
57.03429	9.2
57.07055	3.6
61.02917	6.1
62.90363	1.4
67.05511	9.2
68.99796	3.3
69.03429	35.2
69.07072	20.7
69.57972	6.5
69.58389	3.1
71.04994	4.2
73.02905	4.4
78.91014	1.7
79.05502	9.5
81.03424	25.7
81.07058	100.0
83.04994	1.7
83.08625	12.2
85.02908	94.9
85.06535	6.3
87.00321	1.9
87.00832	35.1
91.05481	6.4
93.07045	12.2
95.04965	1.9
95.08002	1.7
95.08611	36.6
97.02888	36.9
97.06524	2.6
99.04456	13.6
99.08080	10.4
105.01209	3.5
105.01865	47.6
105.07028	12.4
107.04868	1.7
107.08584	10.0
108.91530	1.5
109.02878	27.3
109.06495	2.4
109.10180	1.9
111.08076	3.4
111.11711	5.5
115.03932	16.8
119.08551	6.3
121.10126	5.8
123.04419	2.3
123.08047	2.8
123.11679	5.5
125.02343	2.9
125.05938	3.1
127.03914	49.3
129.01819	2.1
129.06944	2.8
130.85406	1.5
131.08575	4.4
133.04961	2.9
133.10182	3.2
135.08031	3.8
135.11668	3.4
137.13257	45.4
139.11211	2.3
143.08543	3.5
145.04974	23.0
145.10156	2.9
147.02872	1.9
147.08064	1.8
147.11739	9.5
149.05991	1.9
149.09576	3.1
149.13269	10.6
151.07578	3.3
155.14302	22.1
157.10133	3.3
159.02917	11.5
159.08075	2.6
159.11690	7.4
161.04491	19.8
161.09618	3.3
161.13304	9.7
165.09058	2.7
165.12752	5.2
167.07051	24.0
167.14302	5.9
173.13174	3.0
177.12737	2.7
179.05562	1.8
179.14252	5.1
185.09669	1.6
185.13216	1.7
187.07494	1.8
187.11128	1.9
189.03932	2.8
189.12822	1.7
191.14308	7.6
197.13330	1.8
197.15250	2.2
201.03938	3.0
203.14285	6.5
209.15338	2.8
213.03894	3.2
217.15900	3.9
219.04961	7.1
219.13821	2.2
221.15324	3.3
227.14301	5.9
231.05009	19.0
245.15376	15.5
247.04546	8.7
249.06117	13.2
249.11191	7.6
263.16418	23.1
265.05460	6.2
281.17484	6.0
331.15182	2.3
349.16431	15.2
367.17468	16.1
385.18259	6.2
396.86517	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.0
55.01869	3.1
55.05515	14.3
57.03444	3.4
57.07074	11.7
59.05001	3.1
60.52289	2.0
65.90910	1.9
67.05503	21.0
69.03434	6.0
69.07070	16.8
70.06591	3.0
72.88166	2.4
79.05502	23.3
81.03428	5.0
81.07056	31.9
83.04994	10.9
83.08624	8.0
85.06550	5.1
89.06027	8.4
89.21286	2.0
91.05487	30.7
93.07046	40.7
93.07571	3.9
95.04971	13.3
95.08603	33.1
97.06560	4.5
97.10153	4.0
98.21520	7.3
102.59223	2.0
105.07037	49.0
107.04934	5.2
107.08601	24.6
109.06510	11.1
109.10160	11.7
111.04446	2.5
111.08097	4.5
115.05465	2.4
117.07026	12.4
119.08579	49.4
121.06522	6.9
121.10139	29.0
122.07256	2.3
123.08068	14.8
125.06007	10.9
128.06216	5.4
129.06993	10.5
130.07779	4.1
131.08592	25.5
132.09375	2.6
133.06479	4.3
133.08598	6.7
133.10146	21.3
133.52156	2.1
134.10902	2.1
135.08038	17.9
135.11717	11.5
137.09616	18.7
141.06976	5.3
142.07771	7.9
143.08565	24.4
144.09337	6.6
145.10129	47.5
147.08060	28.2
147.11722	7.5
149.06004	2.8
149.09630	12.9
149.13318	2.4
151.07549	9.1
153.12788	2.4
155.08595	11.4
156.09340	9.6
157.10127	31.5
158.10907	4.7
159.08058	5.0
159.11690	21.0
160.08862	3.2
160.12465	3.1
160.21999	2.3
161.09613	12.3
161.13258	4.6
163.11189	21.2
165.07057	3.6
165.09125	44.5
166.09422	4.8
167.08592	4.2
168.09369	4.9
168.21245	2.1
169.10112	13.5
170.10951	6.1
171.11696	17.4
172.12372	2.6
173.09644	6.9
173.13277	7.4
175.11200	19.0
177.09119	2.4
178.09877	4.0
179.08665	3.0
179.10822	2.3
180.09283	3.5
180.11496	2.9
181.10196	6.1
181.12241	17.7
182.10956	7.1
183.11691	14.2
184.12230	2.5
185.09695	4.1
185.13257	10.3
186.13795	2.3
187.11267	7.4
187.14812	4.8
189.12737	10.7
190.13550	7.8
191.10689	7.4
191.14352	3.1
193.10205	4.2
193.12253	12.4
195.11725	8.8
196.12422	3.7
197.09749	2.8
197.13260	12.6
198.13968	2.2
199.11226	3.7
201.12755	5.9
203.14288	18.5
207.11661	6.4
207.13818	9.9
208.14629	6.9
209.09856	3.2
209.11684	5.6
209.13306	9.3
211.11084	2.9
211.14809	8.3
212.15390	3.9
215.14482	3.1
219.13802	7.3
221.15373	100.0
222.15738	9.5
223.11217	4.0
223.14900	3.1
225.12793	2.9
225.16469	3.2
229.15811	3.1
231.13896	2.5
233.15402	3.6
234.16173	15.4
237.12714	3.7
239.14546	2.6
243.13843	3.9
247.14780	3.1
247.16994	29.5
248.17609	3.0
253.15909	2.6
256.26447	3.3
259.17007	4.1
271.16931	3.9
274.19412	14.7
276.44431	2.4
283.15366	4.2
283.26389	6.5
285.18594	4.6
286.19250	3.2
287.20056	12.9
297.18692	3.3
299.20166	18.4
300.20621	3.6
301.16345	12.4
311.20020	4.9
312.20895	11.5
313.21469	4.7
319.20450	2.5
325.21472	16.7
337.21619	5.2
339.23218	3.4
339.28955	26.7
340.24030	17.3
344.31631	2.6
352.23959	34.4
365.24725	8.5
366.25385	3.0
379.26340	3.5
387.25333	5.9
391.26483	4.3
392.27200	4.9
400.26395	3.6
413.26749	4.9
415.25250	2.8
419.29367	7.9
420.30203	4.6
425.26968	9.6
427.28546	13.5
440.29224	51.6
442.30777	4.1
454.30801	4.2
493.33716	3.0
502.74667	2.0
505.33237	2.4
507.34796	4.2
508.35065	6.0
520.35504	48.4
547.39697	8.4
565.41101	17.6
585.39587	4.2
600.41595	40.0
600.55493	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.6
53.81098	1.9
55.01880	2.6
55.05508	9.3
57.07089	14.5
58.18402	2.1
59.05013	3.3
60.05659	2.4
66.61700	2.4
67.05505	19.8
69.03426	9.0
69.07057	8.1
71.04979	2.4
71.52957	4.0
78.77464	2.2
79.05506	20.4
79.97756	2.2
81.03408	3.5
81.07060	25.3
83.04990	9.5
83.08627	6.6
85.06552	4.9
85.83984	2.3
87.04464	2.8
89.06038	9.4
91.05488	34.1
93.06489	3.7
93.07049	40.7
95.04974	9.2
95.08604	23.9
97.06536	9.9
103.05484	2.3
105.07047	52.8
106.37556	2.7
107.08614	29.8
107.91084	2.4
107.94680	2.4
109.06532	13.3
109.10169	10.0
115.05472	4.8
117.07023	16.1
119.04955	2.5
119.08591	63.4
121.06490	6.6
121.10152	28.4
123.08060	18.8
123.11739	2.9
125.06016	11.3
128.06288	4.3
129.07004	9.7
130.07809	6.7
131.08569	26.4
132.09390	5.5
133.06485	4.3
133.08624	5.7
133.10132	29.5
134.10945	3.7
135.08076	21.7
135.11710	9.2
137.09602	13.2
141.06993	5.4
142.07829	12.3
143.08583	27.9
144.09337	7.3
145.06494	5.2
145.10146	39.3
147.08051	33.4
147.11713	10.8
148.08583	2.7
149.09604	15.6
151.07567	16.5
155.08582	15.9
155.10625	3.0
156.09358	8.9
157.10152	43.6
158.10866	7.2
159.08076	7.5
159.11685	29.4
160.08862	9.2
161.09630	10.7
161.13269	8.1
163.11180	20.9
165.07056	3.2
165.09140	48.2
166.09534	3.0
167.08649	3.5
168.09367	3.3
169.10135	13.8
170.10889	5.0
171.11703	24.3
172.08727	2.1
172.12514	5.0
173.09666	8.7
173.13292	10.9
174.10371	4.4
175.11208	24.8
175.14859	5.8
177.09122	4.7
177.11220	3.2
177.12758	2.4
178.09891	3.6
179.08644	3.6
179.10741	2.7
180.11490	3.8
181.10115	4.8
181.12250	22.0
182.10854	6.0
183.11707	16.5
184.12431	3.1
185.09589	5.6
185.13292	8.0
186.10379	2.7
187.11229	5.8
187.14815	4.5
189.12791	9.5
190.13538	8.7
191.10712	3.7
193.10204	5.6
193.12253	12.9
194.10941	3.2
195.11729	13.8
195.13618	2.8
196.12399	3.4
197.09637	2.8
197.13277	17.0
198.14093	2.6
199.11227	5.5
199.14787	5.2
201.12785	7.6
203.14360	17.5
207.11819	4.7
207.13805	13.1
208.14584	7.9
209.13405	11.6
210.14032	3.4
211.11212	3.7
211.14832	8.7
213.12776	7.9
213.16423	3.1
219.13878	9.1
220.14638	3.0
221.13383	6.8
221.15375	100.0
222.15758	9.6
223.11061	3.0
223.14842	6.8
225.12819	4.5
225.16397	2.8
229.15784	3.1
233.13240	4.4
233.15446	5.4
234.16104	22.6
237.12791	3.3
237.16446	5.1
239.14429	3.7
241.15953	4.8
243.13779	3.6
247.17029	27.6
248.17712	5.1
249.16429	5.2
253.16023	5.1
257.15503	3.2
259.16916	5.3
260.17975	2.4
265.15808	4.3
269.15408	3.3
271.17053	4.3
273.18646	3.8
274.19312	13.1
281.18945	4.0
286.19278	3.5
287.19977	12.5
293.19220	3.4
299.20078	16.7
300.20508	4.3
309.18384	3.1
310.19305	2.7
311.20175	5.0
312.20667	11.8
313.21609	7.6
325.21539	18.3
327.23160	3.5
337.21613	6.4
339.23294	6.8
339.28864	5.0
340.23972	19.9
351.23273	3.4
352.23981	35.6
365.24707	8.3
379.26025	3.8
387.25986	3.5
391.26340	2.8
392.26996	5.1
400.26270	2.9
413.26831	7.2
419.29507	7.9
420.30289	4.9
425.27087	8.6
426.27731	5.9
427.28543	16.6
440.29288	58.2
454.30557	2.7
507.34766	3.5
508.35330	9.3
520.35535	53.4
568.73676	3.3
582.40271	3.6
585.39862	3.1
600.13574	3.2
600.41675	33.8
600.55493	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.05513	14.1
57.07079	12.7
59.05004	4.1
60.04511	2.1
65.03918	4.1
66.92266	2.1
67.05506	27.8
69.03443	14.2
69.07072	12.9
69.79170	10.1
70.06596	12.8
71.04995	3.5
77.03915	2.5
79.05506	32.3
81.03407	4.5
81.07067	38.3
81.61526	2.3
83.04996	13.4
83.08602	6.9
83.09058	2.0
85.06532	8.4
87.04455	2.0
89.06052	9.5
91.05489	53.3
93.06487	4.0
93.07052	66.1
95.04971	20.0
95.08615	37.2
97.06528	9.5
99.08134	2.7
103.05453	2.1
103.99364	2.1
105.06325	4.3
105.07037	88.2
106.07886	2.1
107.04961	3.8
107.08607	49.0
109.06514	17.2
109.10163	18.5
110.07294	2.6
111.08093	4.5
114.68933	2.0
115.05443	4.3
116.07092	19.4
116.07927	3.0
116.08118	2.5
117.07047	20.2
119.04920	3.8
119.08589	77.1
120.09366	3.6
121.06493	13.5
121.10149	43.8
122.07288	2.5
123.08077	28.7
123.11719	3.5
125.05989	5.0
125.09638	10.2
128.06215	12.2
129.07013	23.8
130.07808	10.9
131.08571	43.3
132.09413	3.7
133.06483	7.9
133.08568	5.5
133.10136	47.9
134.10878	2.2
135.08069	27.1
135.11723	17.9
135.87727	2.0
137.09648	13.2
139.07622	3.6
139.11208	3.4
141.06996	10.2
142.07802	27.1
143.08577	52.0
144.09363	16.4
145.06537	4.3
145.10136	64.8
147.08069	29.6
147.11696	18.6
148.08762	2.3
149.09645	19.1
149.13289	2.6
151.07549	16.3
151.11208	3.3
152.08249	2.5
153.06979	4.5
155.08577	19.9
155.10596	2.9
156.09360	20.2
157.10139	79.2
158.10936	10.8
159.08075	20.3
159.10454	3.3
159.11694	38.1
160.08826	6.5
161.09622	23.3
161.13278	9.8
163.07468	3.4
163.11197	17.8
165.06996	7.4
165.09122	40.6
166.07681	4.2
167.08545	9.2
167.10718	13.8
168.09323	7.0
169.10127	25.2
170.10941	10.8
171.08035	2.9
171.11687	33.9
172.08817	2.8
172.12480	6.1
173.09657	12.6
173.13272	15.6
174.10400	2.4
175.11189	24.8
175.14832	5.7
177.09052	5.3
177.12706	5.5
179.08560	8.9
179.10706	4.9
180.09315	6.0
180.11443	3.5
181.10144	15.4
181.12146	10.4
182.10913	11.9
183.11693	27.7
184.08867	3.7
184.12468	4.2
185.09625	6.0
185.13286	22.0
186.14070	3.2
187.11214	11.4
187.14845	4.9
189.12787	13.1
190.13527	13.1
191.10745	3.2
191.14342	5.6
192.09325	3.6
193.10146	13.6
193.12222	7.9
194.10901	9.1
195.11707	24.5
195.13512	3.2
196.12434	5.8
197.09683	5.1
197.11678	4.6
197.13289	16.1
198.14006	2.9
199.11253	9.6
199.14801	10.1
201.12723	7.5
203.10631	3.7
203.14334	28.1
205.10059	3.7
205.12061	2.3
206.10905	5.8
207.11682	16.1
207.13820	18.7
208.12486	7.9
208.14612	10.2
209.13255	18.2
209.15189	4.3
210.14001	4.3
211.11183	6.9
211.14821	13.5
213.12801	9.5
213.16397	4.2
215.10681	3.4
215.14302	7.6
217.10110	4.9
218.10844	3.6
218.16679	4.1
219.11900	3.7
219.13806	7.1
221.13277	14.0
221.15363	94.3
222.13994	4.3
223.11095	3.9
223.14755	13.3
225.12723	5.6
225.16429	6.9
227.14253	7.1
228.15155	2.6
229.12187	3.0
229.15912	3.0
231.11729	5.0
231.13821	3.0
233.13257	6.3
233.15364	25.2
234.14114	2.1
234.16061	10.8
235.14871	11.8
235.16910	2.9
236.15639	2.7
237.12642	5.7
237.14684	37.2
239.14337	4.7
239.17967	3.7
241.15855	5.9
245.13206	3.1
246.13916	3.7
246.16261	2.8
247.14861	4.2
247.16934	10.5
248.14008	16.5
249.16324	6.7
250.15639	4.7
251.14240	4.8
251.18166	3.7
251.78848	2.1
253.15858	8.5
253.19080	2.2
255.17453	25.7
257.13077	2.5
257.18878	2.2
259.14658	4.9
259.17084	4.4
261.16370	9.4
263.18005	4.0
265.15826	5.4
265.19473	2.2
267.17438	2.4
268.18271	6.0
269.15530	2.4
269.19003	2.4
270.19760	8.7
271.14481	2.6
271.16959	7.5
273.16141	2.5
274.19345	12.9
275.14355	2.5
275.17636	2.1
277.19409	4.1
279.17462	4.9
281.18970	6.0
285.18420	5.7
286.19318	22.6
287.20206	12.0
289.19434	2.9
291.21042	2.6
294.19659	9.7
295.20456	3.4
297.18475	3.7
299.20239	16.1
303.19574	53.8
309.18759	2.7
311.20035	3.0
312.20779	6.0
313.21628	17.5
319.20654	2.5
325.21771	17.7
337.21570	11.6
339.29080	3.8
347.23648	3.6
351.22726	2.8
352.23999	100.0
361.83887	2.1
363.23077	2.2
365.24841	23.2
377.24734	7.5
383.25797	8.1
454.30911	3.6
485.34390	2.7
487.32315	2.7
502.34372	14.8
503.35220	4.6
505.33026	5.4
507.34781	6.7
508.34875	4.0
520.35559	58.5
529.37280	2.3
582.40350	3.7
583.41455	4.0
585.39233	5.1
600.41736	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23063	1.6
53.03946	3.5
55.05506	6.0
57.07071	11.7
59.04994	5.0
65.86824	2.1
67.05516	10.5
69.03434	9.4
69.07064	8.0
69.79942	9.5
71.08602	1.9
71.11708	1.7
79.05502	13.5
81.07074	17.7
83.04988	5.7
85.06543	8.0
88.08720	1.8
89.06033	7.0
91.05488	21.3
92.06293	2.0
93.07043	31.5
95.04955	5.8
95.08614	22.5
97.06555	4.8
98.21516	2.2
105.07038	41.0
106.07327	2.5
106.80794	1.7
107.05025	1.7
107.08598	20.2
108.08934	1.9
109.06537	12.2
109.10159	8.0
111.08107	2.3
117.06999	10.2
119.08587	55.7
120.09085	1.6
120.56164	2.1
121.06503	8.0
121.10148	21.7
122.07366	2.1
123.08074	14.2
125.05997	11.9
128.06248	5.5
129.06979	9.7
130.07790	3.4
131.08594	19.7
133.06436	2.6
133.08636	3.8
133.10126	18.7
135.08055	17.9
135.11703	6.6
137.06081	1.8
137.09622	13.6
139.07611	2.1
141.06998	2.8
142.07793	9.3
143.08568	21.7
144.09344	5.4
145.06493	2.9
145.10129	35.1
147.08051	27.6
147.11714	6.5
148.08701	2.8
149.09612	13.7
151.07559	12.5
152.08028	1.8
154.07672	2.8
155.08583	7.9
156.09363	6.6
157.10146	28.1
158.10880	7.1
159.08104	3.9
159.11696	22.6
160.12297	2.2
161.09666	8.5
161.13283	6.7
163.11183	24.4
165.09138	44.4
166.09492	7.4
167.08653	2.1
168.09378	3.1
169.10156	13.8
170.10934	5.5
171.07991	2.8
171.11702	20.9
172.12393	3.7
173.09671	9.4
173.13286	7.1
174.13747	3.3
175.11189	21.6
177.09111	2.2
177.12737	2.6
178.09911	2.8
180.09229	2.0
180.11423	4.1
181.10257	4.1
181.12259	16.8
182.10887	3.4
183.11700	12.9
184.12254	3.5
185.09657	5.3
185.13255	10.3
186.13936	2.2
187.11226	5.3
187.14893	4.4
189.12730	7.2
190.13448	10.0
191.10695	6.5
192.09309	2.3
193.10330	3.9
193.12279	11.2
194.11003	4.8
195.11659	8.8
196.12338	3.4
197.09766	2.3
197.13254	10.5
198.13701	1.9
199.11240	6.9
199.14833	1.8
201.12823	7.4
203.14323	21.2
204.14819	2.6
207.11801	4.2
207.13850	12.0
208.12630	3.3
208.14616	6.7
209.09703	2.3
209.13335	5.2
211.11201	3.7
211.14882	6.5
213.12721	5.7
215.14270	3.6
217.10155	2.1
219.11858	2.3
219.13812	9.2
221.13362	6.0
221.15363	100.0
222.15726	18.3
223.11345	2.8
223.14886	3.0
225.12871	4.5
225.16379	2.7
226.13414	1.9
229.16019	2.3
231.13823	3.6
233.13264	3.7
233.15431	5.8
234.16164	17.3
235.14771	4.0
237.12851	2.6
237.16457	3.1
239.18126	2.3
240.18787	2.1
241.15833	2.6
247.16960	26.8
248.17583	3.9
251.14459	2.5
251.18053	2.5
257.15311	2.7
259.17032	3.0
265.15936	2.9
269.15366	2.1
271.17004	2.7
274.19379	11.8
281.18991	3.2
283.26443	2.6
285.18619	3.7
286.19260	3.8
287.20078	12.2
297.18518	2.9
299.20065	19.2
300.20810	4.3
310.19052	2.6
311.20050	3.8
312.20981	6.8
313.21588	9.3
325.21729	10.9
326.22250	3.0
339.23312	7.3
340.23984	18.7
352.24048	21.3
365.24960	4.1
366.25479	5.2
379.26294	2.5
387.25562	2.8
391.26508	4.9
392.26953	5.3
402.28076	2.2
413.26904	3.6
419.29523	6.9
420.30386	4.1
425.26981	9.1
426.27972	4.0
427.28424	15.3
440.29245	44.2
442.30835	3.6
454.30853	2.4
489.59735	2.0
494.08014	2.2
501.62787	2.2
507.34802	2.9
508.35376	7.4
519.33771	2.0
520.35608	39.4
521.35724	2.3
585.39362	4.4
600.41431	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60637	3.3
53.03948	5.9
54.74349	4.3
55.05501	14.1
57.07064	17.7
59.04993	4.7
67.05507	33.1
69.03442	21.6
69.07075	19.3
69.46877	14.6
69.47282	9.0
75.43672	3.9
79.05496	37.6
81.03401	5.6
81.07063	45.3
83.04984	26.1
83.08614	11.0
85.06540	12.0
86.11563	3.8
89.06032	10.5
91.05489	58.1
93.07046	81.7
93.07629	5.5
95.04986	26.9
95.08616	45.0
97.06524	16.5
98.20727	3.9
105.07034	100.0
107.08607	69.1
109.06528	21.3
109.10165	27.8
111.08091	10.6
115.05478	8.4
117.07043	29.2
119.08585	97.1
121.06499	14.3
121.10163	53.6
123.08094	36.4
123.11662	8.7
125.05975	9.6
125.09649	6.7
128.06216	17.9
129.06999	27.9
130.07779	12.3
131.08577	56.5
133.06508	8.9
133.08583	8.4
133.10147	61.3
135.08080	29.7
135.11694	15.3
137.09642	14.0
141.06996	14.4
142.07800	34.2
143.08569	62.1
144.09331	17.6
145.06493	7.1
145.10126	78.6
146.07317	4.0
147.08066	49.0
147.11711	23.8
147.63409	3.7
149.09625	29.9
151.07529	27.2
151.11249	4.5
153.01828	5.7
153.06960	4.9
154.07787	7.0
155.08557	25.7
155.10622	5.9
156.09349	32.3
157.10141	95.1
158.10884	11.7
159.08075	22.7
159.11729	46.3
161.09627	21.2
161.13239	9.6
163.11197	23.0
165.06979	11.5
165.09123	50.9
167.08566	6.4
167.10645	19.5
168.09351	11.4
169.10136	39.0
170.10887	18.1
171.08157	8.1
171.11697	54.3
172.12500	9.1
173.09627	15.0
173.13246	18.0
175.11198	30.5
175.14816	7.3
176.12004	4.8
177.09145	5.2
177.12692	5.6
179.08582	13.7
179.10674	7.3
180.09302	9.8
180.66676	4.3
181.10150	19.3
181.12267	21.9
182.10930	10.8
182.12407	4.3
183.11687	32.0
184.12473	7.4
185.09601	12.8
185.13190	22.0
186.10374	4.0
186.14066	4.5
187.11201	13.2
187.14771	7.3
189.12709	18.8
190.13493	10.2
191.10602	5.4
191.14249	8.1
192.09344	7.9
193.10156	20.8
193.12172	9.1
194.10905	10.3
195.11707	29.2
196.12471	10.9
197.09673	4.6
197.13268	34.8
199.11171	13.6
199.14841	13.9
201.12761	10.5
203.14322	28.3
205.10193	5.5
206.10867	9.7
207.11720	21.7
207.13809	25.7
208.12515	5.5
208.14546	9.4
209.13249	26.3
209.15251	6.7
210.13991	7.2
211.11130	8.1
211.14824	21.2
213.12740	16.2
213.16368	8.2
215.14337	5.4
217.15971	6.0
218.16631	9.4
219.11758	7.1
219.13863	11.1
220.12415	4.9
221.13286	14.1
221.15356	96.9
222.13922	6.8
222.15921	5.0
223.11317	5.4
223.14777	19.0
225.12775	14.0
225.16310	7.7
227.14320	12.7
231.11766	9.6
232.12469	6.0
233.13222	13.4
233.15416	32.4
234.16109	16.3
235.14841	13.3
235.16989	6.5
237.12630	7.7
237.14651	39.8
239.17851	5.2
245.13155	7.3
246.13965	5.9
247.14909	9.9
247.17035	10.2
248.14114	14.4
249.16360	11.3
251.14233	5.7
253.15941	11.0
255.17474	29.2
259.14719	7.5
261.16394	7.3
263.18182	4.5
270.19760	9.6
271.17062	12.2
273.18640	7.8
274.19247	13.1
275.17865	6.4
277.15787	4.7
277.19235	5.0
279.17526	4.8
281.18970	13.0
285.18625	10.5
286.19312	22.8
287.20154	10.2
294.19778	7.5
295.20557	6.3
297.18680	6.7
299.20056	17.9
303.19565	42.6
307.20743	4.6
309.18433	4.7
311.20053	7.9
312.20813	11.2
313.21686	23.0
314.98206	4.2
319.20679	6.0
325.21735	36.3
337.21582	8.4
351.23093	4.9
352.23950	68.5
359.23669	5.6
365.24847	44.0
377.24857	6.0
383.25778	12.9
419.28934	5.2
502.34296	8.3
505.33295	7.2
507.34735	36.0
520.35498	39.2
567.38440	6.6
582.40515	6.7
583.40808	6.2
585.39404	6.5
600.40356	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.05516	28.0
57.03434	6.3
57.07078	10.8
67.05511	53.0
69.07076	32.9
71.05004	17.5
71.08635	5.0
72.56977	1.6
79.05151	1.6
79.05499	18.5
81.07065	90.5
83.04973	2.5
83.08629	22.3
85.06532	7.1
89.06014	6.1
91.05479	15.2
93.07045	20.7
95.08064	2.8
95.08613	26.0
96.09007	1.8
97.06524	5.4
97.10160	10.1
105.07018	7.4
107.08590	12.4
109.10155	15.2
111.11738	3.2
117.07033	2.2
121.10188	12.9
123.11728	15.5
125.09570	1.9
131.08582	3.5
133.08618	3.9
133.10130	12.2
135.11691	10.4
149.13257	5.9
151.11201	4.4
175.65776	2.3
183.13806	2.6
193.37733	2.2
265.25598	2.2
269.17365	3.5
301.20056	17.2
339.28979	37.7
415.25409	2.9
507.40500	100.0
512.09778	2.1
521.41803	5.5
533.41766	7.0
565.44727	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	3.5
53.03936	6.7
55.01868	2.9
55.05521	17.9
57.01592	2.8
57.07085	14.0
59.04975	3.6
62.76109	2.2
65.03944	3.8
67.05508	29.4
69.03446	15.9
69.07079	18.7
69.56196	15.1
71.04995	5.9
77.03922	3.8
79.05079	3.1
79.05501	34.0
80.05836	2.5
81.03419	3.9
81.07062	49.0
83.04986	19.6
83.08633	14.7
85.06535	6.6
87.04494	3.7
89.00616	2.4
91.05487	58.8
91.06037	5.6
92.05759	3.4
93.06490	5.3
93.07053	86.3
94.07416	5.0
95.04973	24.9
95.05536	3.8
95.08060	4.0
95.08611	43.4
97.06523	12.3
103.05460	4.1
105.04517	2.9
105.07041	100.0
106.07336	7.8
107.05000	3.2
107.08607	70.4
108.08868	2.7
109.06514	14.4
109.10159	31.0
111.08096	7.8
113.09675	3.0
115.05461	7.5
117.07030	26.4
118.07272	2.5
119.08591	94.3
120.08936	4.9
121.06474	9.6
121.10155	71.9
122.10480	5.2
123.08070	23.4
123.11726	11.4
124.08429	2.5
125.05990	4.2
125.09607	8.5
128.06233	16.6
129.07007	21.8
130.07756	11.0
131.08582	43.5
132.09189	2.5
133.06490	5.5
133.10141	57.7
134.10471	2.9
135.08060	21.6
135.11705	19.8
137.09647	13.6
139.11157	6.6
141.06981	8.5
142.07790	25.3
143.08575	43.9
143.82118	2.4
144.09262	11.1
145.06471	3.1
145.10135	66.8
146.10539	5.1
147.08041	24.8
147.11685	23.3
148.08516	3.1
149.09622	18.6
149.13219	4.4
151.07526	10.4
151.11169	2.9
153.01859	4.3
153.07018	5.6
154.07843	3.9
155.08591	19.5
155.10669	4.8
156.09358	20.7
157.10141	50.0
158.10725	11.5
159.08086	17.7
159.11702	43.5
160.08835	3.2
160.12044	3.3
161.09645	15.6
161.13260	9.7
163.11208	17.4
165.07039	6.6
165.09114	28.2
166.07678	3.6
166.09447	4.1
167.08556	8.9
167.10684	39.7
168.09334	4.7
169.10143	30.6
170.10851	9.9
171.08095	2.7
171.11725	41.7
172.12202	7.1
173.09624	10.0
173.13220	21.7
175.11208	14.4
175.14812	12.5
177.12798	4.5
179.08614	11.9
179.10669	3.1
180.09290	7.9
181.10213	19.1
181.12228	9.9
182.10771	10.5
183.11723	28.1
184.12190	3.8
185.09647	2.7
185.13268	24.9
186.13692	6.1
187.11206	6.7
187.14783	7.2
189.12729	8.8
191.14326	6.1
192.09309	2.9
193.10164	11.8
193.12114	3.4
194.10884	9.7
195.11702	28.4
196.12350	9.0
197.09738	3.0
197.13239	23.5
198.13680	5.6
199.11169	4.4
199.14850	16.6
200.15437	3.4
201.12689	6.2
201.16371	3.2
203.14334	15.5
204.14705	6.8
205.10161	3.1
206.10901	6.3
207.11632	12.8
207.13747	7.3
208.12341	7.3
208.14281	4.3
209.13257	24.1
209.15189	4.9
210.13919	3.8
211.11127	4.1
211.14874	16.6
212.15178	3.0
213.12759	8.0
213.16322	3.6
214.13023	3.0
215.14291	7.1
217.10167	3.0
217.15829	5.9
219.11714	5.5
220.12439	4.0
221.13242	13.6
221.15318	64.0
222.13820	4.7
222.15744	13.7
223.14723	16.3
224.15422	4.4
225.12796	6.3
225.16367	6.1
227.14276	5.7
229.15918	3.1
230.10936	2.7
231.13800	3.4
233.13206	8.5
233.15402	28.1
234.13899	3.7
234.15977	5.9
235.14812	13.6
236.15416	2.9
237.12747	3.5
237.14621	5.7
237.16647	5.9
239.18028	3.6
241.15900	3.3
245.13188	4.6
246.13933	4.7
247.14769	6.6
247.17097	4.5
248.14061	3.2
249.16521	5.6
251.17914	7.6
252.18486	3.4
253.15741	2.8
253.19586	4.0
255.17400	5.9
256.17838	4.8
257.15710	2.7
257.19003	3.2
259.14697	3.3
261.16385	7.4
262.17087	3.6
263.17944	4.5
264.18515	2.5
265.19553	6.8
267.17493	2.6
269.18961	9.8
273.16281	4.9
275.17801	5.0
277.19519	4.3
281.19022	7.7
283.20547	6.3
285.22134	2.6
286.19424	3.9
287.20160	6.8
293.19162	2.6
295.20483	7.4
297.22006	4.3
299.20151	6.8
300.20688	4.7
301.21774	4.3
303.19540	7.7
304.19910	8.3
312.20847	3.6
315.20941	3.3
317.22513	3.7
325.21597	4.5
326.22198	3.2
333.21869	3.9
349.25354	4.9
352.24005	14.0
353.24225	21.6
361.25012	3.2
367.26321	6.1
375.26855	3.9
503.35342	2.8
508.35229	4.4
509.34421	2.5
521.35992	13.9
565.40222	8.2
583.41339	13.0
601.42773	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94829	1.8
51.02391	1.8
53.03948	3.4
55.05515	23.5
57.07071	7.2
59.04988	5.0
65.03925	5.7
67.05508	27.2
69.03435	15.8
69.07077	19.7
69.60183	10.9
69.60591	3.4
71.04978	4.9
79.05501	35.6
80.06286	3.1
81.07059	38.8
82.07393	2.3
83.04988	18.0
83.08639	14.5
85.06535	6.4
87.04469	3.0
91.05487	55.8
92.05798	2.5
93.07051	74.3
95.04973	18.6
95.08611	40.5
97.06534	12.9
98.48797	2.3
103.05452	2.4
105.04520	4.2
105.07039	100.0
106.07355	4.8
107.04928	3.4
107.08599	76.0
108.08909	3.2
109.06531	11.8
109.10165	31.8
111.04471	1.9
111.08081	7.1
113.09648	5.1
115.05466	6.7
116.06274	2.4
117.07041	20.9
119.08591	82.9
120.08925	5.0
121.06507	12.4
121.10154	82.6
122.10455	3.3
123.08055	13.5
123.11691	8.7
125.09650	15.8
128.06227	12.0
129.07045	21.9
130.07788	8.1
131.08582	45.4
132.08932	2.2
133.06506	5.1
133.10146	60.2
135.08069	20.2
135.11703	20.8
137.09578	11.3
139.11166	6.4
141.07014	10.1
142.07800	20.2
143.08588	48.5
144.09369	9.6
145.06454	3.8
145.10130	74.4
146.07356	2.8
146.10501	7.7
147.08038	12.2
147.11685	23.0
149.09636	20.4
149.13203	3.8
151.07623	4.6
151.11160	2.1
153.06995	3.2
154.07785	3.0
155.08577	21.1
155.10643	6.1
156.09351	22.0
157.10143	62.4
158.10864	10.5
159.08081	14.1
159.11703	42.9
160.08803	3.1
160.12120	3.6
161.09587	15.1
161.13257	8.6
163.11188	7.6
165.07019	8.0
165.09128	9.1
165.12846	2.9
166.07516	2.6
167.08635	12.1
167.10693	58.0
168.09286	6.7
169.10149	28.9
170.10832	7.3
171.11711	37.4
172.12227	3.8
173.09653	6.7
173.13277	27.5
175.11166	12.0
175.14838	8.7
177.12845	3.1
179.08606	10.3
180.09303	6.9
181.10124	15.7
181.12254	4.8
182.10901	11.8
183.11684	21.2
184.12308	5.6
185.09641	2.6
185.13280	18.7
186.13652	2.4
187.11211	5.3
187.14865	10.5
189.12753	7.1
191.14339	4.0
192.09515	3.2
193.10181	12.9
194.10887	10.1
195.11732	22.1
196.12317	8.8
197.09529	3.2
197.13272	23.3
198.13785	4.6
199.11234	3.0
199.14839	16.8
201.12791	6.6
201.16385	6.6
203.14275	8.3
205.10165	3.6
206.10889	6.8
207.11742	14.7
207.13428	3.2
208.12410	9.2
209.13319	25.5
209.15204	3.8
210.13924	5.6
211.11232	2.6
211.14764	14.6
212.15515	2.5
213.12775	6.0
213.16344	6.2
215.14336	4.4
215.32555	2.1
217.10101	3.0
217.15843	4.7
219.11719	5.8
219.17180	3.0
220.12401	2.8
221.13194	15.8
221.15376	19.3
222.13899	7.5
222.15808	3.0
223.14790	16.5
224.15338	3.3
225.12708	4.2
225.16370	7.8
227.14232	6.2
229.15755	2.5
231.11676	5.7
231.13840	2.9
231.17445	2.5
232.12509	4.0
233.13258	5.5
233.15369	30.2
234.13879	5.4
234.16025	3.4
235.14795	8.9
236.15215	2.5
237.16331	9.6
239.17989	5.0
241.19710	2.3
243.11827	2.6
245.13344	4.8
245.15613	2.1
247.14778	7.6
248.15491	3.0
249.16449	5.9
251.17986	6.1
253.19543	3.6
255.17520	4.5
256.17767	5.0
257.18939	5.8
259.14807	5.2
260.15506	3.6
261.16315	6.2
261.18845	2.4
263.17938	5.8
265.15982	2.5
265.19464	7.4
269.18958	9.0
270.19507	3.2
271.14722	2.6
271.20453	3.2
273.18640	3.9
275.17831	4.2
277.19568	3.9
281.19043	5.1
283.20483	4.6
285.18671	4.4
287.20282	3.9
289.19376	3.0
293.18784	2.6
295.20480	4.9
297.22079	2.3
299.20129	6.0
301.21793	3.9
311.20047	2.6
343.24066	2.4
347.23801	2.4
349.25168	3.3
361.25119	2.9
365.24734	5.6
367.26501	3.5
473.34036	2.6
487.36880	2.9
491.34592	2.9
546.28760	2.5
565.39630	4.3
583.41205	7.2
601.42737	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	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78035	1.9
53.03940	5.8
55.01862	3.6
55.05521	18.0
55.82445	1.7
57.03430	2.1
57.07066	6.2
61.16833	1.9
61.66283	2.1
65.02967	1.9
65.03939	5.4
67.05506	30.7
69.03431	8.8
69.07068	23.8
69.98231	9.1
71.05006	3.6
77.03959	2.2
78.69382	1.8
79.05493	35.6
81.03416	3.5
81.07062	45.5
83.04990	21.7
83.08630	12.7
85.06544	8.2
87.04469	4.2
89.06023	9.2
91.05486	58.2
92.05833	2.6
93.07051	63.3
94.07391	4.9
95.04978	25.3
95.08604	38.0
97.06541	12.1
97.10178	4.8
103.05463	6.5
105.07039	100.0
107.05007	4.5
107.08607	69.7
108.08914	4.1
109.06532	15.9
109.10175	29.0
111.08062	3.9
111.18561	1.9
113.09679	3.9
115.05470	6.2
116.06241	3.4
117.07042	17.0
119.08590	82.3
120.08865	5.1
121.06533	13.9
121.10155	69.0
123.08085	20.1
123.11729	7.9
125.05962	4.8
125.09656	14.2
128.06247	11.9
129.07033	16.6
130.07797	6.1
131.08575	43.5
132.08861	3.3
133.06538	6.6
133.07678	2.1
133.08640	3.4
133.10143	57.5
134.10512	2.6
135.08064	16.9
135.11714	18.5
137.09627	10.3
138.09816	2.9
139.11227	5.2
141.06984	10.5
142.07794	23.3
143.08575	40.8
144.09384	12.4
145.06499	4.9
145.10146	65.6
145.11305	3.3
146.10548	6.0
147.08061	13.3
147.11723	20.2
149.09622	16.7
149.13254	3.3
151.07570	7.7
151.11185	4.6
153.07014	5.5
154.07736	2.8
155.08554	17.1
155.10706	6.2
156.09357	13.6
157.10150	49.6
158.10655	10.1
159.08080	16.6
159.11699	40.0
160.08714	4.6
160.12038	4.7
161.06097	2.2
161.09653	15.0
161.13300	9.7
163.11232	9.0
165.07004	5.7
165.09174	11.9
166.07686	4.3
167.08537	8.2
167.10677	44.8
168.09308	4.6
169.10130	26.9
170.10921	11.1
171.11716	34.8
172.12198	6.7
173.09686	9.7
173.13266	20.7
175.11191	9.7
175.14799	11.3
177.12808	2.3
179.08636	13.6
179.10600	2.1
180.09328	5.9
181.10115	15.8
181.12207	6.6
182.10901	11.2
183.11690	27.8
184.12262	7.1
185.09631	4.3
185.13243	16.1
186.13757	4.1
187.11185	7.3
187.14848	11.0
189.12781	8.6
191.14301	6.6
192.09322	7.1
193.10124	15.0
194.10890	7.5
195.11729	21.2
196.12289	8.3
197.13254	25.9
198.13930	4.6
199.11154	3.1
199.14766	12.5
200.15227	2.8
201.12692	7.1
201.16475	5.2
202.13271	2.6
203.14345	8.0
205.10208	3.3
206.10896	3.3
207.11690	14.1
207.13655	4.1
208.12415	7.6
209.13271	22.6
209.15170	2.8
210.13907	5.2
211.11217	3.2
211.14861	13.2
212.15318	3.7
213.12738	7.1
213.16415	7.2
215.14265	8.9
217.10295	3.4
217.15805	4.3
219.11620	6.0
219.17346	2.5
220.12463	4.9
221.13284	10.8
221.15399	25.6
222.13916	5.4
223.11327	2.6
223.14835	17.6
224.15317	2.5
225.12785	5.7
225.16370	8.5
227.14391	2.9
229.15894	5.5
231.11639	2.3
233.13240	6.6
233.15408	30.7
234.13728	3.5
234.15880	4.5
235.14790	9.2
235.16902	2.9
236.15361	2.9
237.16298	9.6
238.16978	2.4
239.14432	3.4
239.17973	4.1
241.15759	3.5
241.19446	2.7
245.13298	3.7
246.13895	4.0
247.14861	9.5
247.17079	3.5
249.16396	8.1
251.17976	4.2
253.15868	4.1
255.17470	6.9
256.17871	6.7
257.19000	2.5
259.14731	3.4
260.15344	3.3
261.16394	5.3
262.17041	2.8
263.18018	4.5
265.15625	2.5
265.19519	5.1
267.17505	2.3
269.19067	9.3
271.13422	2.7
271.20297	4.4
273.18649	3.4
275.17856	4.1
277.19501	2.7
281.19012	4.7
282.19452	2.9
283.20526	4.4
285.18793	3.9
286.19263	2.3
287.20291	4.0
289.19504	4.0
291.20987	2.5
295.20322	3.9
297.21954	3.7
299.20142	5.1
300.20782	2.3
301.21719	3.5
313.21954	2.2
349.25146	3.8
361.25174	4.0
367.26178	3.1
384.26373	2.9
565.40350	5.0
583.41772	10.4
601.26910	2.3
601.42273	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.05509	20.4
56.86198	2.2
57.07080	15.4
57.63748	2.1
59.04992	3.3
65.03943	4.6
67.05507	33.6
69.03421	15.7
69.07072	23.9
69.72691	12.5
71.04999	7.0
71.08610	4.4
77.03922	2.7
79.05493	41.7
80.05811	3.2
81.03405	8.2
81.07056	49.5
83.04990	17.3
83.08609	19.5
85.06523	5.5
86.90987	2.3
87.04470	6.9
89.06024	8.8
91.04913	3.3
91.05484	64.0
92.05783	3.7
93.07047	78.4
95.04971	22.0
95.08000	2.6
95.08611	50.5
97.06541	14.4
103.05446	6.1
105.04512	4.6
105.07036	100.0
107.04958	5.3
107.08595	75.8
109.06530	23.9
109.10148	27.6
111.08082	7.7
113.09637	6.3
115.05460	9.3
117.07027	24.4
119.08585	95.3
120.08911	4.9
121.06498	13.2
121.10152	82.1
123.08056	17.5
123.11684	8.6
125.05968	2.5
125.09624	14.9
126.10217	2.6
128.06181	14.9
129.07018	16.8
130.07765	5.7
131.08577	43.3
133.07669	2.6
133.08571	6.6
133.10133	60.4
135.08043	18.3
135.11717	22.2
137.09621	8.6
139.11200	9.6
141.06946	10.4
142.07799	26.0
143.08559	45.6
144.09406	12.2
145.06502	3.4
145.10126	70.4
146.10600	4.2
147.08057	16.8
147.11688	25.4
149.09637	20.9
149.13232	3.2
151.07561	8.0
151.11229	3.2
154.07701	3.4
155.08578	21.2
155.10651	6.5
156.09373	19.1
157.10132	62.6
158.10590	4.6
159.08086	15.0
159.11702	40.0
160.08749	3.8
160.12138	3.0
161.06007	3.1
161.09601	13.6
161.13272	11.3
163.11160	10.6
165.06982	8.5
165.09125	12.3
166.07640	4.3
167.08649	13.8
167.10680	58.7
168.09302	6.0
169.10118	28.3
170.10828	8.8
171.11671	36.8
172.12091	5.7
173.06009	4.0
173.09637	9.0
173.13287	21.0
174.13533	2.6
175.11153	13.2
175.14848	13.6
177.11256	3.8
179.08585	13.1
180.09309	4.5
181.10129	20.6
181.12286	7.7
182.10840	9.5
183.11690	23.4
184.12331	4.9
185.09689	4.1
185.13228	23.0
186.13809	4.8
187.11157	6.3
187.14871	12.6
188.15340	3.2
189.12668	12.6
189.16331	3.2
191.14308	7.5
192.09317	3.8
193.10176	12.6
193.11823	2.8
194.10776	10.6
195.11707	26.3
196.12320	9.7
197.13271	21.6
198.13715	5.0
199.11217	7.2
199.14847	15.2
201.12636	4.9
201.16403	7.4
203.14359	8.8
205.15932	3.1
206.10777	6.2
207.11745	15.5
207.13550	3.6
208.12389	7.5
209.13268	24.9
210.13699	5.2
211.11188	4.3
211.14796	14.1
212.15092	6.2
213.12672	5.5
213.16302	6.6
215.14267	9.0
217.15874	4.7
218.10942	3.0
219.11702	5.6
220.12486	4.5
221.13235	17.2
221.15370	29.9
222.13838	5.8
223.14828	15.8
224.15428	5.1
225.16412	8.3
227.14244	6.3
231.11488	4.6
232.12367	4.0
233.13129	7.2
233.15401	33.2
234.13947	5.9
234.16058	3.2
235.14705	10.4
235.16853	3.4
236.15530	3.4
237.16412	7.6
238.16743	4.3
239.17966	3.3
245.13287	5.2
246.13922	3.8
247.14673	7.3
247.17020	4.3
248.15521	3.8
249.16338	8.2
251.17935	5.1
255.17462	9.2
256.17813	5.0
257.18988	3.1
259.14658	5.0
261.16400	5.6
263.17786	5.1
265.19547	4.9
269.18942	7.9
273.16064	3.3
273.18698	3.8
281.19144	3.7
283.20609	4.5
286.19177	3.2
287.20248	4.5
289.19519	3.1
293.18707	3.7
295.20386	3.8
299.20062	6.9
301.21643	5.1
342.24835	2.5
361.25458	4.3
491.34933	3.9
565.40662	6.4
583.41956	11.8
601.25708	9.4
601.41711	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	601.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
55.01872	3.9
55.05516	50.0
56.74259	2.8
57.03431	8.9
57.07094	15.4
58.39080	3.0
67.05241	2.9
67.05511	29.7
69.07072	43.1
69.22458	11.8
69.22884	19.3
71.08618	9.0
76.68509	3.1
79.05511	25.7
80.36230	3.1
81.07062	32.9
83.04993	4.7
83.08624	33.0
85.10176	3.2
89.06022	5.0
91.05488	60.1
92.10337	3.2
93.07055	32.4
95.04963	5.1
95.08615	25.6
97.06517	6.5
97.10170	27.6
105.07044	46.2
107.04957	5.9
107.08589	14.4
109.06509	3.1
109.10162	7.7
111.11720	4.2
113.17578	3.3
115.05446	9.6
116.06304	3.2
117.06998	23.3
119.04977	4.0
119.08595	23.6
121.06484	3.8
121.08147	3.9
121.10138	9.4
123.08047	8.7
123.11665	4.7
125.22721	3.0
128.06241	17.4
129.07005	26.0
130.07787	11.3
131.08575	59.1
133.06471	3.5
133.10129	12.0
135.11707	5.0
141.06982	12.2
142.07855	3.2
143.08568	76.3
145.10136	63.3
147.08041	8.6
147.11682	4.9
155.08534	5.0
157.10132	11.3
159.11707	10.6
161.09616	9.5
169.10156	18.6
171.11685	11.3
175.11252	4.4
177.12761	3.8
181.10126	9.7
183.11702	6.4
185.13211	8.4
188.68129	3.4
195.11639	15.9
199.11128	3.2
213.12819	3.2
221.15482	3.7
227.17955	7.0
237.16359	14.3
237.22054	7.0
241.14410	4.3
245.18904	4.1
251.97389	3.1
255.17485	10.1
271.16846	3.8
273.18527	38.5
311.25833	100.0
329.21140	10.0
347.22186	23.5
347.28510	3.6
518.80005	3.2
583.43555	35.8
601.43811	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	602.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	4.5
58.06593	1.4
65.03942	0.7
67.05506	1.3
69.03429	0.7
69.07057	0.6
70.06594	16.0
71.08631	2.7
71.52529	1.0
74.06044	0.7
79.05476	0.8
81.07050	1.7
88.07635	18.3
91.05454	0.7
93.07066	1.3
95.08606	1.2
97.02903	0.9
102.09185	14.1
105.07018	1.1
107.08615	1.0
121.10101	0.7
127.03893	0.6
131.04994	1.0
133.10129	0.9
149.02347	29.9
149.03342	1.4
161.13416	0.7
175.03941	1.1
177.05467	0.9
193.04964	37.5
200.20102	44.0
219.06555	1.3
231.24918	0.7
237.07578	12.4
239.89879	0.6
244.22765	1.0
269.04291	1.1
272.18546	0.6
297.03922	1.8
313.07214	2.3
341.06577	7.4
359.07510	5.3
385.09161	15.8
429.11810	23.7
520.98260	0.6
584.28571	1.6
602.29602	100.0
603.29736	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27728	0.9
53.03944	4.5
55.01862	3.6
55.05513	10.6
56.66778	1.0
57.03444	4.9
57.07080	12.9
61.02928	5.2
63.32259	1.1
68.99766	0.9
69.03430	33.9
69.07066	13.1
69.57813	3.1
69.58238	3.3
70.38098	1.2
71.04986	3.8
71.08626	2.4
73.02905	3.1
81.03421	28.2
81.07047	4.3
83.08623	50.0
84.66679	1.2
85.02907	82.1
87.00831	31.0
95.08619	1.7
97.02892	22.1
97.10171	11.1
98.21497	1.3
99.04455	11.9
105.01867	43.2
109.02880	47.7
117.01847	2.0
127.03922	100.0
129.01868	2.3
137.13275	2.5
139.14815	3.1
145.04958	15.6
147.02882	1.6
155.14349	1.6
157.15891	23.6
159.02911	7.0
171.03029	1.1
175.16937	35.5
189.04037	1.5
213.01988	1.5
213.03940	16.4
231.05008	61.6
249.06096	9.9
253.07121	1.1
265.18042	4.7
283.19080	4.2
343.21161	6.6
351.17813	1.1
369.19089	13.0
387.20148	19.1
405.21146	7.6
603.20068	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
57.03436	0.6
58.68725	0.5
68.05855	0.6
69.07066	1.3
69.25278	5.8
79.05493	2.5
81.07068	3.8
83.08620	0.7
90.10156	0.6
91.05495	1.3
92.05833	0.6
93.07031	3.2
95.08598	3.4
95.71725	0.7
97.06560	0.6
105.07031	1.4
106.07377	0.9
107.08602	1.7
109.10119	1.5
117.07013	1.3
119.08574	2.3
121.10148	1.8
131.08629	1.2
133.10164	0.6
145.10101	1.4
146.10576	0.7
157.10107	0.7
160.67770	0.6
168.74770	0.6
173.13391	0.7
225.11018	0.8
251.12643	2.5
269.13599	9.1
283.20596	0.7
305.25778	0.7
307.14993	0.8
325.16275	2.5
335.25912	0.8
454.71292	0.6
471.46210	0.6
474.88187	0.6
585.37476	3.0
603.38678	100.0
604.39227	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02847	1.8
50.55070	2.1
53.03938	5.6
55.01869	4.1
55.05273	3.3
55.05514	38.0
57.03443	11.7
57.07077	35.1
67.05508	38.8
69.03426	3.4
69.07070	19.9
70.66255	1.8
71.04978	3.5
71.08633	22.6
72.04507	7.0
79.05498	33.8
79.11742	1.9
81.03436	2.3
81.07063	45.3
83.04974	2.9
83.08634	16.8
85.06544	3.6
85.10189	12.3
91.05483	70.5
93.07049	33.0
95.04958	4.7
95.08609	47.4
97.06514	4.7
97.10188	14.3
98.21516	5.0
99.08106	3.6
103.05467	2.1
105.07040	50.5
107.04939	6.6
107.08615	20.8
109.06495	5.7
109.10197	12.9
111.08080	3.5
111.11791	2.4
115.05437	10.6
116.06222	6.9
117.06232	3.2
117.07022	43.1
119.08582	25.5
121.06486	5.4
121.10155	7.3
123.08070	5.8
123.11742	4.0
125.09624	3.9
128.06239	28.8
129.07016	30.8
130.07793	12.9
131.08575	85.6
133.06502	4.8
133.10159	14.9
135.08072	4.6
135.11707	8.0
137.09576	2.0
137.13206	2.3
141.07033	12.9
141.09164	2.7
142.07796	5.9
143.08571	100.0
144.09332	2.8
145.10135	90.7
147.08060	7.0
147.11688	7.6
149.09642	4.0
153.06912	2.8
155.08531	9.8
157.10162	26.4
159.08080	4.9
159.11688	16.3
161.09596	11.2
163.11162	3.2
163.91525	2.3
165.06940	4.9
166.07729	2.1
167.08568	2.9
169.10165	15.7
171.08020	3.0
171.11687	16.3
173.09663	3.4
173.13310	3.3
175.11166	4.8
177.12711	6.2
180.09312	3.3
181.10074	13.6
183.11723	12.5
185.13277	7.3
195.11705	22.5
199.11227	3.3
201.12733	3.9
211.14720	2.3
213.12727	3.9
226.79225	2.1
227.17964	7.3
237.16428	20.2
239.23660	3.8
241.14255	5.0
245.19101	4.3
255.17464	22.1
273.18494	60.9
291.19543	4.0
293.21509	1.9
313.27365	93.9
329.21100	5.3
347.22141	25.8
435.07843	2.1
585.45245	35.7
603.45801	6.7
633.50507	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	604.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01851	0.8
55.05510	3.0
56.05008	0.6
57.03427	1.0
58.91869	0.6
61.02905	1.0
62.06094	1.0
67.05505	5.5
69.03437	4.7
69.07079	3.4
70.06580	1.6
71.04989	1.0
71.08636	3.0
71.22866	0.8
71.23193	0.6
72.08163	3.0
79.05482	2.2
81.03411	2.6
81.07058	10.8
83.04986	0.7
83.08603	1.2
84.08127	1.6
85.02907	5.4
85.06518	1.5
86.06070	24.1
87.04453	0.7
91.05489	4.5
93.07075	3.0
95.04971	1.0
95.08612	4.2
96.08124	3.6
97.02890	2.7
97.06512	2.2
97.10143	0.7
98.06027	0.9
98.09701	7.0
99.04446	1.4
99.08097	3.7
105.07034	4.4
107.08597	2.9
108.08139	2.7
109.02854	1.5
109.06516	1.3
109.10191	3.1
113.06038	0.6
114.09136	1.1
116.10735	52.7
119.08581	3.7
121.06493	0.7
121.10168	2.9
122.09651	1.4
123.08100	0.8
123.11701	2.0
123.68281	0.5
124.07610	1.2
127.03919	1.9
127.11200	1.0
129.07016	1.3
131.08539	1.4
133.10144	3.3
135.11676	0.9
137.05930	0.6
137.13216	0.7
142.08629	2.4
142.12262	1.5
143.10699	5.9
145.10117	1.1
147.11702	6.6
149.09567	0.6
151.11214	0.9
157.10086	2.0
163.03857	1.0
165.12727	1.9
173.13222	0.8
175.11203	1.7
187.14697	0.7
193.12294	1.1
196.17056	0.7
214.18048	10.1
234.22186	0.6
236.20064	0.9
237.14850	0.7
255.15868	0.8
261.13330	0.8
264.23178	1.6
266.21194	2.2
267.42767	0.6
282.21487	0.6
282.24362	7.4
284.22256	2.8
285.22134	0.7
303.23196	2.2
308.22217	7.2
321.24332	1.6
326.23267	9.4
344.24319	100.0
345.24472	1.0
424.30682	2.5
442.31662	30.5
470.27020	0.8
488.28607	0.9
506.29654	19.5
586.35297	1.9
604.37238	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	605.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43918	0.4
55.91081	0.4
56.96301	0.9
56.96567	11.3
56.96849	0.6
57.03440	1.0
61.02931	2.1
61.39116	0.4
69.03440	2.3
71.51594	0.8
73.02913	1.9
74.97601	0.9
79.05503	2.4
81.03456	1.1
81.07068	0.8
81.49790	0.4
84.96045	2.7
85.02909	7.5
86.03236	0.4
86.97598	0.5
87.04483	0.8
91.03972	0.7
91.05491	1.2
95.08593	0.6
97.02911	2.9
98.97588	26.3
99.04450	0.5
100.97221	0.6
101.00875	0.8
102.96922	0.5
107.08579	1.0
109.02865	0.8
109.06496	1.1
110.97562	5.8
112.99126	1.0
113.00929	0.5
116.98624	8.0
119.01917	1.7
119.04945	0.9
121.06513	0.5
124.99123	3.2
127.03974	2.3
128.98605	4.7
131.00200	1.0
131.01921	1.4
134.99661	1.4
135.04471	0.7
136.99106	1.1
137.05997	5.7
140.98610	0.5
143.00180	7.7
143.01917	1.3
144.98088	1.0
145.01694	0.8
145.03513	0.6
145.04968	2.1
146.99661	1.7
147.04416	1.7
151.00620	0.4
151.04318	2.0
152.05656	1.5
153.02240	2.6
155.00156	2.5
155.01913	0.9
155.03891	0.7
157.01718	0.6
157.03473	0.5
158.99666	12.3
161.01247	3.0
161.02962	1.3
162.99193	0.6
163.03902	1.3
167.00191	0.5
169.01715	0.6
169.05380	18.5
170.03442	0.7
170.99669	1.3
171.03294	9.7
171.04710	0.8
173.01234	2.5
173.02817	0.7
177.00764	6.5
177.02269	1.2
179.00133	0.5
179.03819	0.5
179.07057	0.7
181.05328	0.9
181.07039	0.6
182.99612	0.6
183.08675	1.6
185.01262	3.1
185.02803	0.8
185.04822	0.5
187.04568	1.7
187.06416	19.0
189.00740	1.2
189.04326	5.9
189.05890	0.7
191.02220	0.5
191.03868	0.9
193.04970	0.8
194.04831	0.4
195.03310	1.3
197.01271	1.4
197.04926	2.3
199.04755	0.5
199.06448	13.0
199.08130	0.7
200.04366	0.5
201.00697	1.3
201.09781	0.5
203.02332	8.3
203.04031	1.5
205.07599	0.9
207.08676	0.7
208.05023	0.5
211.02818	0.8
211.06229	1.1
213.04335	6.4
215.02296	0.9
215.05898	1.1
217.05498	0.5
217.07455	6.9
217.09433	0.5
219.01790	3.9
221.03322	7.8
221.05154	5.0
223.02809	1.5
223.06406	1.2
225.09697	2.9
227.05873	0.7
229.03740	0.8
229.07304	0.9
231.05373	5.9
232.08626	0.5
235.02815	0.6
235.08524	5.2
237.02814	2.7
237.09760	1.4
239.02213	0.9
239.06155	0.7
241.03804	1.4
241.07556	2.8
243.10760	1.4
245.07185	0.5
249.00832	0.9
249.09886	0.7
252.05728	0.5
253.03841	1.3
253.07527	0.8
255.10710	1.2
257.03317	0.9
257.06952	0.8
259.06580	0.9
259.08658	7.9
261.02704	0.9
261.09863	0.5
262.08838	0.6
262.59088	0.7
265.03885	0.6
267.01617	1.3
271.08575	3.8
272.06604	1.2
273.06580	0.7
273.11795	0.6
277.09573	6.0
280.07104	0.6
283.01202	0.9
285.02850	9.1
285.09808	4.9
289.09851	3.5
293.05124	1.0
297.11789	1.6
299.08151	1.8
303.03894	8.9
303.11136	2.6
309.02930	1.9
309.08420	0.6
311.06079	3.6
315.10880	2.4
317.09030	2.1
321.04886	0.6
327.03891	11.7
327.12631	0.7
340.09286	0.6
345.05011	1.6
345.12024	14.3
349.09756	0.5
353.07391	1.7
355.07288	0.8
357.10403	1.2
363.13239	30.9
366.10831	1.1
369.04959	4.8
373.08154	1.5
386.14871	1.1
387.06171	1.1
413.09439	1.2
425.12427	0.6
429.06998	3.9
431.10291	1.3
433.14417	0.7
438.12970	1.0
440.07620	0.5
447.07974	3.2
447.13257	3.1
485.16971	18.1
511.18732	1.9
517.20990	0.6
529.19672	100.0
530.20081	1.0
573.18750	1.0
613.14923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02729	0.3
57.07079	0.4
67.05492	0.6
69.07050	0.3
71.08629	0.3
75.30386	0.3
78.21101	0.2
81.07039	0.7
83.08622	0.4
91.05463	0.5
93.07045	0.4
95.08619	0.8
96.75327	0.2
101.43833	0.2
105.07035	0.4
119.08603	0.3
126.09039	0.3
126.68133	0.2
188.82462	0.3
275.20084	0.7
302.90027	0.3
313.27460	0.4
349.23679	0.4
399.16388	0.5
400.17160	0.5
401.17722	0.8
402.18802	0.4
412.18082	0.5
413.17694	0.7
414.18625	1.5
415.19254	4.9
416.20062	1.5
417.20886	0.7
427.19162	0.9
428.20242	1.4
429.20886	8.5
430.16251	0.5
430.21628	4.5
431.22403	1.2
433.24197	0.4
442.21695	0.8
443.22763	4.1
444.23495	6.5
445.24329	3.8
448.26169	0.6
455.18738	0.6
456.19443	0.8
457.19843	1.0
457.24393	1.1
458.25208	2.5
459.21655	2.8
459.26016	2.0
460.22156	0.3
470.21326	0.6
471.22189	1.2
472.22598	3.9
473.23593	5.2
474.24609	1.8
476.21921	0.4
483.18518	0.4
485.23523	4.3
486.24466	1.9
487.24991	19.2
488.25699	0.8
489.23059	0.9
490.23560	0.4
501.23816	0.4
502.23724	0.6
503.24744	2.4
513.22577	1.1
514.23193	0.3
517.26117	3.0
518.23157	0.6
531.24286	0.9
532.24249	0.6
545.25507	21.1
546.26227	3.4
573.25165	2.5
577.28131	0.4
605.27606	100.0
606.27832	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26918	0.3
62.91455	0.3
67.05439	0.5
67.34822	0.3
70.85767	0.3
71.53001	0.6
75.05164	0.3
79.05411	0.6
81.06949	0.8
82.93011	0.3
91.05399	0.3
95.08508	0.3
107.08521	0.4
188.95988	0.3
190.27463	0.3
213.94910	0.3
215.31313	0.3
244.09590	0.3
259.27481	0.3
275.19922	0.4
277.94266	0.3
326.27771	0.4
374.16525	0.4
385.14835	0.4
386.15912	0.7
388.17874	1.0
389.18704	0.7
398.16013	0.4
399.16068	2.2
400.16791	2.2
401.17776	1.8
402.14075	0.3
402.19443	0.9
403.19815	0.3
404.21094	0.8
411.16135	0.3
412.17365	1.4
413.17709	4.0
414.18448	5.3
415.19275	5.9
416.20200	0.9
417.20810	0.6
427.19360	3.6
428.20071	4.9
429.20834	17.0
430.21799	2.3
431.22430	0.8
441.21622	1.7
442.21918	2.6
443.22543	10.6
444.23383	5.8
445.19662	0.9
445.25003	0.4
455.18576	1.3
456.19772	2.2
457.24796	6.4
458.24902	9.5
459.21649	8.2
460.22345	0.9
462.20142	0.7
470.21252	2.3
471.22577	2.4
472.22656	8.7
473.23813	3.4
476.22098	2.3
483.18381	0.4
484.19193	0.7
485.23517	17.4
486.19742	1.2
486.24039	4.2
487.20923	0.6
488.22232	1.1
490.23947	0.5
498.20148	0.5
499.21207	1.5
500.22156	2.0
502.23535	1.3
503.24637	2.4
513.22888	3.3
514.23529	1.5
516.24225	0.4
517.26056	9.9
529.25916	1.0
530.23413	0.6
545.25513	100.0
546.25824	2.1
561.25073	1.4
573.25006	18.7
574.25171	0.6
577.23773	0.3
605.27637	71.7
606.27954	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05376	0.8
67.05672	0.8
67.32745	0.6
70.07988	1.8
91.05309	0.9
95.08410	0.6
98.68407	0.6
174.20657	0.6
285.09000	0.8
374.91782	0.7
381.04672	0.7
383.94958	0.7
385.14343	0.7
388.18048	0.9
389.18433	0.8
399.15952	2.0
400.16797	2.2
401.17712	1.4
404.20987	0.8
413.17615	3.4
414.18564	4.7
415.19427	5.6
427.18994	2.8
428.20190	6.0
429.20871	19.2
430.21466	1.7
441.21295	1.1
442.21759	3.5
443.22565	12.1
444.23529	6.1
445.20129	1.0
455.18539	1.6
456.19360	1.8
457.23727	4.9
458.24982	8.5
459.21786	7.0
470.20963	2.2
471.21695	2.9
472.22632	9.6
473.23914	3.5
476.22040	2.2
485.23508	17.6
486.23929	3.9
488.21811	1.0
499.21460	1.2
500.22076	2.1
502.23810	1.1
503.24408	2.3
513.22839	4.4
514.23541	2.4
517.26099	10.8
529.26740	0.7
530.22876	0.9
545.25531	100.0
546.25977	1.9
573.25055	16.4
605.27679	72.9
605.38739	3.8
606.28101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	18.7
57.07066	9.3
67.05515	23.0
69.03413	3.4
69.07073	42.9
71.03649	3.0
71.03986	4.5
71.04989	3.5
71.08620	6.1
79.05507	11.5
79.77087	2.2
80.53740	2.2
81.03424	4.2
81.07062	73.4
83.04971	4.1
83.08629	29.2
85.02896	9.2
85.06534	9.8
87.00850	2.6
87.47460	2.2
91.05484	6.5
93.07044	21.2
95.04949	3.6
95.08613	59.3
97.02873	3.1
97.06498	6.9
97.10165	19.4
99.04444	2.5
99.08124	2.7
105.07029	9.6
107.08598	18.1
109.02818	3.3
109.06579	2.7
109.10159	36.1
111.08067	3.1
111.11720	15.0
115.07581	5.1
119.08617	10.8
121.06554	2.6
121.10146	17.0
123.08053	5.1
123.11713	20.1
125.13255	10.6
127.03972	3.0
127.07577	4.2
131.08582	4.1
133.10117	9.8
135.04472	2.1
135.11719	12.8
137.05954	3.9
137.09610	5.0
137.13269	15.6
139.14854	3.6
145.06404	2.1
145.10074	4.0
147.11668	9.0
149.09525	2.4
149.13229	8.7
151.07439	2.6
151.11176	5.6
151.14815	5.8
155.10648	3.4
159.11673	6.7
161.13277	9.0
162.16925	2.6
163.11203	2.3
163.14793	6.4
165.09145	3.1
165.12767	6.5
165.16432	2.9
173.13182	2.6
175.14804	5.1
177.12749	5.5
179.14343	5.2
181.12204	3.6
183.13792	2.8
193.15822	2.8
195.13794	8.2
197.15382	6.0
207.21056	4.8
209.15343	3.1
211.16820	2.7
221.19031	4.1
239.20168	2.3
261.25726	4.5
265.21643	3.8
266.95889	2.1
285.25851	6.9
299.59995	2.3
303.26706	14.1
309.50031	2.1
321.27914	45.4
324.03528	2.3
337.40070	2.0
339.28964	100.0
340.29160	3.5
357.29913	7.1
438.55801	2.4
614.80627	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	607.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
57.03424	2.7
58.24014	1.7
61.02913	1.8
62.81368	1.8
64.59705	1.7
65.03949	1.6
67.05478	2.2
69.03428	9.0
70.98783	1.8
71.04981	2.1
71.53349	2.7
73.02940	3.6
79.05473	3.1
81.03423	9.3
81.07044	5.0
85.02908	20.5
87.00822	9.9
91.05486	5.9
94.04182	4.2
95.04975	2.3
97.02906	19.8
99.04452	5.1
103.05473	2.4
105.01865	6.0
105.07034	2.1
107.04961	3.7
109.02880	8.5
109.06503	2.9
115.03933	5.9
122.03629	5.9
123.07994	1.8
125.02379	1.9
125.21995	2.0
127.03930	13.1
128.06172	2.1
129.07001	5.9
131.04968	4.0
134.06288	1.9
137.05989	100.0
143.04904	5.8
144.05716	2.0
145.04968	5.2
151.03902	2.8
151.07501	5.3
157.06523	4.4
160.05188	9.3
161.04552	3.9
161.05946	2.9
163.07530	7.6
165.05490	2.5
173.38135	1.8
175.07565	47.4
187.07558	27.7
189.09102	7.4
201.09131	3.2
205.08652	9.5
211.07567	2.8
217.08533	3.8
219.10179	5.5
231.08122	2.3
235.09644	5.8
247.07927	2.2
263.10706	4.3
270.08893	6.2
271.09637	8.3
283.09677	2.7
291.10141	8.0
311.12820	3.9
323.12817	12.9
325.14395	7.1
341.13907	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	607.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01881	3.0
57.03442	2.8
57.06013	1.1
59.06461	1.2
61.02937	1.7
69.03429	9.9
71.04991	2.6
71.52353	1.2
71.52758	2.2
71.75119	1.4
73.02905	3.2
79.15009	1.2
79.75521	1.3
81.03420	9.7
81.07044	2.1
85.02899	17.7
86.68923	1.3
87.00843	9.5
87.04433	1.4
91.05489	3.2
94.04198	3.1
97.02893	14.9
99.04446	4.1
103.05469	2.3
105.01873	5.7
107.04953	2.4
109.02856	6.5
109.06494	1.9
114.49773	1.2
115.03951	5.5
115.05434	3.2
117.07021	1.9
121.06534	2.0
122.03665	4.5
124.65554	1.4
125.02358	2.1
125.06010	2.2
127.03912	12.6
129.07019	3.3
131.04951	2.4
131.08611	1.4
133.05011	1.3
137.05983	100.0
138.06358	1.5
143.04936	4.6
143.08440	1.3
145.04979	6.0
145.06413	1.8
151.03961	1.9
151.07539	5.6
157.06506	4.9
159.02892	3.7
160.05222	9.2
161.04515	2.6
161.05905	1.8
163.07480	6.0
165.05399	1.5
168.46504	1.6
175.07553	52.2
175.09061	2.9
177.48779	1.4
187.07567	24.2
189.09111	8.6
199.07562	1.7
201.04077	2.5
201.09091	2.3
205.08658	9.3
217.08675	3.3
219.08086	2.5
219.10149	5.5
227.07065	2.2
231.08136	3.6
235.09717	7.7
239.07016	1.5
240.07869	2.3
247.04604	1.4
248.08211	3.5
263.10742	2.8
270.08893	4.6
271.09677	5.5
276.07846	2.5
279.10141	2.9
291.10114	11.0
308.10553	1.5
311.12784	4.5
323.12814	11.2
325.14368	4.3
341.13889	12.9
543.94275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01875	3.0
56.96569	15.8
57.03437	5.3
57.46476	1.1
61.02918	4.3
64.17781	1.1
69.03432	13.6
69.22770	6.3
69.23184	3.7
71.04986	3.9
73.02937	6.6
79.05499	5.2
81.03428	6.4
81.07051	3.5
84.96030	4.6
85.02914	33.8
87.04460	2.9
89.03854	1.7
91.03966	1.4
91.05482	4.9
95.08616	3.7
97.02901	16.6
97.96799	2.3
98.97591	100.0
99.04465	2.9
106.21077	1.1
107.04959	2.0
107.08581	4.6
108.78526	1.1
109.02882	2.9
109.06519	3.2
110.97576	17.5
112.99159	2.3
116.98631	27.7
116.99454	1.6
119.04945	4.2
121.06529	3.0
121.29800	1.2
123.08067	2.1
124.99105	1.5
127.03924	9.7
128.98615	11.3
130.04933	1.4
131.00200	2.4
134.98795	1.1
134.99680	5.5
135.04433	3.3
137.05977	24.5
138.06361	2.8
140.00217	1.6
140.98610	3.7
141.09132	2.5
143.00174	5.2
144.98151	1.8
145.04982	6.6
146.99658	5.0
147.03418	1.1
147.04445	8.6
147.07671	2.0
148.04710	1.6
152.98557	1.4
158.99660	21.4
161.01285	2.7
161.02777	1.6
163.03932	13.3
165.05495	2.1
167.07083	5.7
170.03421	1.7
170.99716	6.5
177.00717	11.3
177.05579	2.8
178.03868	1.7
179.00174	2.3
179.07057	3.2
180.05466	2.2
182.03383	3.1
182.99693	1.8
185.05017	1.5
187.04413	9.1
187.06152	2.6
189.00699	4.1
189.05971	3.2
191.03896	3.2
193.01724	1.2
194.99734	2.4
195.03377	1.5
197.01280	1.5
197.04913	1.8
199.04523	2.3
199.06407	1.6
201.00697	6.4
206.99489	1.2
208.04987	4.1
209.08241	1.6
211.02808	2.0
214.04945	2.0
217.05527	2.7
219.01779	36.2
220.00446	3.1
223.02896	1.6
223.05139	1.2
227.02255	2.5
227.09338	1.9
229.03917	1.5
233.06731	1.5
234.99283	1.7
235.02805	13.7
237.02791	35.8
238.01436	7.6
239.05902	3.9
241.03944	3.7
243.05339	1.4
247.70776	1.2
250.05803	1.4
251.02190	2.4
253.03854	19.2
254.09128	2.3
255.05695	1.8
256.02600	1.5
257.06995	1.6
259.06537	28.1
259.56757	4.1
260.02112	2.5
260.07132	2.0
261.02817	3.2
261.08109	3.1
265.03882	2.1
269.03397	2.4
271.04788	6.5
277.03845	19.5
279.05765	2.0
280.07047	6.8
285.02798	1.7
287.04099	1.7
287.11124	2.7
295.04849	21.6
295.07578	1.8
296.05374	1.3
299.04526	1.5
307.04660	1.8
309.08426	1.7
311.04562	1.4
312.08667	2.5
313.05923	2.9
331.06284	1.1
337.05957	5.7
339.07465	1.5
340.08920	1.5
341.13583	2.3
342.64459	1.3
349.09824	2.0
355.06824	2.2
357.10226	7.5
357.60522	1.4
359.10278	2.4
361.09973	7.9
361.59897	3.9
366.10699	3.4
370.10159	4.0
373.08087	3.8
377.11230	1.3
379.07864	1.6
379.12732	7.8
393.11176	4.7
393.61420	10.0
394.11465	4.9
402.11557	2.9
402.61920	5.1
403.11777	2.1
411.62836	1.4
415.09152	39.0
433.10214	8.4
437.62396	1.5
438.12958	17.3
438.62918	4.2
439.13300	1.8
439.63193	2.0
440.14215	2.7
443.08411	1.9
447.13464	20.8
447.63425	5.0
448.14133	1.9
449.14764	2.8
491.10663	4.8
531.13959	25.9
531.21100	1.5
545.59668	1.5
589.10846	1.8
607.15094	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	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
62.59759	0.2
67.05494	0.3
70.66903	0.2
70.67229	0.4
76.53568	0.1
78.58334	0.1
81.07041	0.2
91.05455	0.3
98.20903	0.2
106.06570	0.2
185.05821	0.2
196.09988	0.2
207.09175	0.2
209.10797	0.3
221.10812	0.3
223.12344	0.3
233.10770	0.2
235.12297	0.4
247.24054	0.2
251.11832	0.2
286.60294	0.2
287.14484	0.2
300.14868	0.2
310.13242	0.2
326.12891	0.3
326.16348	0.2
336.14948	0.3
340.14429	0.2
352.14511	0.2
373.14575	0.3
374.15341	0.3
375.16132	0.7
376.17349	0.4
386.16656	0.3
387.16388	0.5
388.16760	0.8
389.17627	2.6
390.18356	1.3
391.19211	1.0
392.20105	0.2
401.13324	0.2
401.17767	0.6
402.14145	0.4
402.18893	1.1
403.15625	0.5
403.19556	3.5
404.20114	1.9
405.20871	3.4
406.21518	0.3
407.21982	0.2
414.19061	0.2
415.14758	0.3
415.19351	0.5
416.15363	0.9
416.20511	0.5
417.16245	3.7
417.21182	1.9
418.17783	1.0
418.21765	0.8
419.22482	5.6
420.23169	1.0
429.16592	0.2
430.17053	0.8
430.22690	0.2
431.18307	8.2
432.19150	3.1
433.20071	3.5
435.21655	0.5
443.18408	0.3
444.19775	0.3
444.71179	0.2
445.20197	5.5
446.21045	6.8
447.21814	7.9
448.17932	0.2
448.22910	0.3
457.20319	0.3
458.21182	0.3
459.17252	0.7
459.21927	1.7
460.18134	0.5
460.22806	0.8
461.19342	1.7
462.24313	0.5
463.20270	0.4
463.25284	0.7
473.19482	0.9
473.23807	0.7
474.13474	0.3
474.20380	5.2
474.26584	0.3
475.21002	4.5
476.22360	0.2
477.23663	0.9
478.23499	0.8
479.24786	0.2
487.21384	1.7
488.22086	0.4
490.23315	0.6
491.19980	2.6
501.23193	1.3
503.24933	0.3
504.21033	0.2
505.21902	1.1
506.23026	0.2
518.22699	0.2
519.24109	17.8
520.24933	0.4
529.22589	0.4
532.21625	0.2
547.23328	13.0
548.24127	0.5
551.26678	0.3
561.25104	0.6
564.23615	0.2
575.22803	0.2
579.26074	6.5
589.24634	0.2
607.25507	100.0
608.25867	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	607.2552
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
51.74566	0.4
55.05524	0.7
67.05524	1.1
68.36253	0.3
69.07089	0.9
71.52868	0.5
74.23901	0.3
79.05502	0.9
79.84032	0.4
81.07082	1.5
85.10178	0.4
88.29314	0.3
91.05486	1.9
91.61278	0.4
93.07047	0.9
95.04962	0.5
95.08640	1.2
105.07014	2.0
107.08627	0.5
109.10221	0.4
117.07067	0.4
119.08612	1.2
131.08597	1.1
133.10152	1.0
135.11674	0.5
145.10188	0.4
147.11729	0.5
147.20114	0.4
176.18588	0.3
208.09975	0.4
219.17458	1.0
222.49695	0.4
227.87932	0.4
235.12355	0.4
267.85794	0.4
275.20093	1.3
375.16238	0.7
376.17377	0.4
387.15976	0.5
388.16922	1.1
389.17630	2.3
390.18359	1.0
391.19376	0.8
401.17935	0.6
402.18509	1.0
403.19321	4.3
404.20276	1.9
405.20779	2.2
415.19501	0.8
416.16190	1.2
416.20773	0.7
417.16077	3.6
417.21060	2.2
418.21820	1.0
419.22498	7.5
429.21219	0.7
430.17993	1.2
431.18277	8.1
431.23489	0.7
432.19022	2.6
433.20151	1.6
444.19742	0.6
445.20200	6.7
446.20966	6.7
447.21817	7.9
459.17261	0.9
459.22955	1.9
460.18152	0.5
460.23077	0.7
461.19330	1.1
463.24683	1.2
473.19223	1.0
473.24307	0.5
474.20474	8.0
475.21167	10.0
478.23550	0.5
484.77472	0.4
487.21326	1.9
488.21835	0.7
490.23560	1.4
491.20105	1.0
491.25558	0.5
501.22733	1.5
505.22198	0.8
519.24103	10.7
529.21930	0.4
532.21100	1.3
547.23364	52.5
548.23694	1.0
561.24744	1.0
579.26031	3.5
589.24347	1.0
607.25464	100.0
607.42950	3.1
608.25830	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2555
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.05494	0.6
67.05515	2.4
69.07050	1.0
69.23064	1.7
69.23488	2.4
71.05022	0.5
79.05494	1.3
81.03452	0.9
81.07069	2.0
91.05476	0.9
93.07053	1.7
95.08610	1.2
105.07047	0.6
107.08607	0.6
109.02956	0.4
109.06525	0.4
109.10149	0.6
119.08588	0.5
128.75877	0.4
129.06946	0.5
135.11751	0.5
145.10104	0.6
149.13252	0.6
209.10881	0.5
222.11559	0.5
300.16934	0.4
341.57007	0.5
354.30069	0.5
375.16400	1.0
387.15897	0.4
388.16861	0.6
388.27646	0.5
389.17737	2.8
390.18271	1.2
391.19360	1.2
401.17929	0.5
402.18842	0.8
403.19775	3.4
404.19989	1.9
405.20776	2.9
416.16031	0.7
417.16238	3.6
417.21185	2.0
418.17474	0.8
418.22141	0.9
419.22623	4.6
420.23160	0.7
430.17691	0.7
431.18423	7.4
432.19022	2.5
433.20239	3.9
437.25592	0.9
445.20108	4.4
446.21027	6.9
447.21750	8.6
448.22974	0.5
459.17191	0.8
459.22281	1.3
460.18396	0.6
461.19818	1.2
462.24445	0.6
463.25800	0.6
473.19061	0.6
473.24457	0.6
474.20380	4.9
475.21057	4.5
477.23126	0.7
478.23941	1.0
487.21326	1.8
490.23914	0.6
491.21149	2.2
501.22961	1.4
503.23993	0.5
504.21802	0.6
504.72165	0.5
505.22424	0.6
518.80231	0.4
519.24109	16.1
529.22394	0.7
547.23389	13.5
551.26471	0.5
575.22986	0.6
579.26196	4.4
589.80090	0.5
607.25580	100.0
608.25800	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2913
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
54.97170	0.2
63.30256	0.2
69.17194	1.9
69.17585	0.3
73.84390	0.2
77.20553	0.2
82.16850	0.2
87.76826	0.2
98.20784	0.3
106.94210	0.2
130.72632	0.2
202.51944	0.2
242.99628	0.2
261.74652	0.2
263.99542	0.2
310.13474	0.3
328.18088	0.2
387.15860	0.2
388.16788	0.3
389.17526	0.6
390.18723	0.3
401.18045	0.4
402.18494	0.7
403.19305	2.5
404.19901	1.0
405.20767	1.3
415.19263	0.8
416.20081	0.9
417.21179	3.3
418.21713	1.8
419.22336	2.8
429.16641	0.5
430.17908	0.9
431.18204	6.9
432.18777	1.6
433.24130	6.3
434.24878	1.2
444.18887	0.4
444.23853	0.4
445.19775	8.2
446.20660	3.7
447.21790	4.5
457.19946	0.4
458.21176	0.3
459.21500	4.1
460.22531	9.8
461.23361	10.1
462.24030	0.3
473.23721	3.2
474.24136	0.6
477.22974	0.6
487.25351	1.6
488.25458	0.5
489.22971	0.3
491.19855	0.5
491.25098	0.3
492.25067	0.9
504.25107	0.3
505.21875	3.0
506.26770	0.4
515.17236	0.3
515.24591	0.6
518.23352	0.4
519.24304	1.4
519.27332	1.4
531.24536	0.2
532.24457	0.8
533.25684	0.4
547.27087	28.4
548.27625	0.8
575.26288	1.0
578.25476	0.4
579.29572	0.7
607.29163	100.0
608.29565	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
65.22886	0.3
69.62564	1.5
112.51988	0.3
188.99374	0.3
207.60277	0.3
208.28281	0.3
221.10625	0.4
300.15381	0.4
387.16074	0.7
388.17007	0.5
389.17422	1.8
401.17963	0.5
402.18439	1.3
403.19254	3.6
404.19839	1.2
405.20776	1.8
415.19482	0.5
416.20145	1.1
417.15936	0.5
417.21286	4.0
418.21591	2.5
419.22299	3.0
429.21161	0.5
430.17007	0.4
430.22086	0.8
431.18237	8.0
431.23520	0.7
432.18460	1.7
433.23981	10.1
434.24603	0.9
445.19815	10.2
446.20810	4.8
447.21515	4.1
458.20856	0.6
459.21359	4.8
460.22516	10.5
461.23404	14.2
462.24185	0.5
473.23636	3.0
474.24399	1.6
476.21509	0.4
477.23026	0.8
487.25195	1.8
488.26059	0.4
489.22964	0.6
491.24307	1.0
492.25272	0.9
504.25079	0.5
505.21500	2.2
506.26935	0.6
515.24396	0.4
519.28644	1.7
532.25171	0.8
533.25171	0.5
547.27075	48.2
548.27417	1.3
575.26581	1.0
579.30005	1.2
607.29163	100.0
608.29602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13437	2.2
51.02380	2.9
53.03933	10.6
55.01860	5.5
55.05518	24.7
57.03422	7.5
57.07070	2.5
58.86725	2.5
63.92032	2.5
65.03941	5.9
67.05508	70.1
69.03429	15.2
69.07071	23.7
70.96165	4.8
70.96519	3.5
71.04977	7.3
79.05075	3.5
79.05497	50.4
81.03422	71.9
81.07058	89.0
83.04984	15.2
83.08635	14.0
85.02904	7.3
85.06538	4.4
91.05486	40.0
93.07047	57.2
95.04959	10.2
95.08607	27.9
97.02927	12.2
97.06535	13.3
97.10173	3.8
99.04458	4.8
99.08086	3.5
105.07035	24.2
107.04932	6.4
107.08588	36.6
109.02881	12.1
109.06528	5.4
109.10152	5.9
111.04433	9.9
111.08068	6.4
113.53816	2.4
116.01727	2.4
117.07014	15.8
119.08576	10.0
121.06491	6.1
121.10128	18.9
123.08035	5.7
123.11674	4.9
127.03889	10.1
129.06982	7.1
131.08575	19.9
133.10143	13.8
135.08043	5.3
135.11685	10.3
137.16277	2.3
141.06978	3.6
143.08571	3.3
145.06471	4.5
145.10106	4.9
147.08073	3.9
147.11705	11.6
149.09572	2.7
149.13255	24.8
150.13550	2.2
157.10098	3.2
159.11705	11.4
161.13191	3.2
165.12730	4.6
167.08594	3.0
173.04408	2.9
173.13275	2.9
175.11168	4.2
177.12708	7.6
183.06601	3.0
183.11693	3.2
193.12280	2.8
195.13818	19.9
201.12645	2.4
213.14827	4.5
219.13692	3.8
267.15961	5.5
269.17444	12.6
303.15802	4.0
321.16956	9.1
339.18115	12.9
371.25803	3.2
377.19562	5.5
395.20621	14.4
424.35699	2.4
433.23737	4.8
445.20035	5.7
445.29462	9.8
460.22650	4.0
463.30423	10.6
469.31067	2.7
529.31830	3.5
547.26715	10.1
562.12933	2.5
589.33575	8.8
607.26703	13.2
607.36047	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	609.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96310	1.0
56.96563	7.5
64.17234	0.7
69.03403	0.9
71.51324	1.0
79.98188	0.5
84.96024	1.8
85.02880	2.5
87.21413	0.7
91.03967	0.6
97.02867	1.0
98.97591	42.6
105.00183	1.2
110.97572	2.3
116.98630	9.3
123.01188	0.7
124.99058	0.7
128.98607	1.4
134.99637	0.8
137.05960	1.5
143.00156	1.4
145.04907	0.8
147.01085	0.7
151.00671	1.5
158.99670	24.2
160.99107	0.9
161.02800	1.0
163.00743	0.7
167.06873	0.6
169.01733	1.1
170.99689	1.4
177.00700	8.4
177.02238	6.5
179.00150	2.8
179.03777	1.4
181.01816	0.9
182.99594	1.8
185.01120	0.6
189.00775	1.2
193.01799	1.0
193.04984	0.8
195.03316	5.3
197.01222	4.6
197.04942	1.1
201.00717	2.0
205.01797	2.8
205.03564	0.7
215.02298	2.3
219.01836	4.5
221.01253	5.0
223.02811	7.1
231.01753	0.8
237.02838	1.3
239.02313	5.6
241.03911	5.8
243.06157	0.6
246.99117	0.7
249.00629	4.6
257.03189	1.1
259.05081	1.6
261.02866	2.7
265.00208	3.9
265.03769	1.8
267.01743	13.4
267.04538	0.9
272.06458	1.0
279.03934	1.4
283.01218	5.0
283.04837	1.9
285.02829	67.4
290.03378	0.7
295.04831	0.7
303.03885	59.2
304.04425	0.8
308.04510	1.4
309.02768	16.4
311.06271	0.9
313.06082	1.3
321.04886	1.7
326.05563	0.8
327.03891	100.0
328.04578	0.8
341.05673	0.7
345.04913	18.4
346.33664	0.6
350.05466	1.9
353.07074	0.8
355.07193	0.9
362.09424	0.7
369.04950	19.0
382.77350	0.6
385.08118	1.1
387.05969	5.0
403.09286	1.2
415.09372	0.7
421.07971	0.7
429.07071	67.2
430.07413	0.8
447.08130	81.7
448.08673	0.8
470.09647	4.2
489.09152	16.5
519.10242	2.1
565.14520	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	609.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22150	0.2
54.13504	0.2
61.51328	0.2
64.84155	0.2
67.05499	0.3
70.64063	0.3
70.64405	0.3
75.04121	0.2
79.05512	0.3
81.07071	0.4
91.05500	0.3
93.07076	0.2
95.08596	0.2
105.07028	0.4
106.46032	0.2
107.08596	0.2
117.07056	0.3
119.08512	0.3
127.16495	0.2
131.08578	0.3
161.16234	0.2
171.70023	0.2
195.09134	0.2
209.10831	0.3
210.11494	0.3
211.12524	0.3
221.10886	0.3
224.13184	0.4
225.10269	0.2
237.13931	0.4
238.14627	0.4
239.15514	0.2
251.15479	0.2
312.14786	0.2
314.16861	0.2
367.61722	0.2
374.16394	0.2
375.17053	0.4
376.16925	0.4
377.17764	0.8
378.18622	0.4
388.17975	0.3
389.18567	0.5
390.18668	0.8
391.19220	1.5
392.20020	1.2
393.20807	0.5
396.83569	0.2
399.16138	0.2
400.16843	0.3
401.17773	0.8
402.18896	0.3
403.19727	0.7
404.20636	0.8
405.17545	0.3
405.21011	2.4
406.21628	1.7
407.22272	2.3
414.18506	0.7
415.19159	1.7
416.20126	0.3
417.16635	0.3
417.21417	0.5
418.22217	0.3
419.18488	0.8
419.22473	0.9
420.23492	0.9
421.23898	3.6
422.24838	0.7
427.19229	0.7
428.20203	0.3
429.21072	1.8
430.22229	0.9
431.18060	1.0
432.19223	0.9
433.20255	1.4
433.24585	0.6
435.21939	0.5
443.22687	0.5
444.23526	1.1
445.15308	0.3
445.20319	0.8
447.18298	2.0
448.18588	0.5
449.24094	0.9
452.22098	0.6
456.19507	0.3
457.24637	1.3
458.24741	0.4
459.22305	1.5
460.23392	1.5
461.19070	4.7
462.20328	1.8
463.20889	1.3
465.23267	0.4
470.21112	0.3
471.18265	0.3
472.22641	0.6
473.18942	0.9
474.20474	0.8
475.21088	7.2
476.21872	5.4
477.22363	4.1
478.23602	0.6
479.24420	0.6
485.23621	5.7
486.20206	2.7
487.20816	0.5
487.25049	0.9
488.22440	1.0
489.23038	5.2
490.19870	0.3
493.21362	1.0
494.27008	0.9
497.23151	0.7
499.21274	3.8
500.21982	1.7
502.23947	0.4
503.24609	7.0
504.21823	0.7
505.21939	1.0
507.24030	0.7
513.22961	1.1
515.24487	5.5
517.22260	2.0
518.23279	0.4
521.26093	3.2
531.23981	8.9
533.25476	0.3
535.23676	0.7
541.22437	0.8
548.24701	0.4
549.25055	1.8
550.25854	4.5
559.23462	4.9
563.26636	1.2
577.24719	1.6
591.26111	11.3
609.27081	100.0
610.27502	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.55411	0.4
51.22260	0.4
69.16465	4.0
75.58159	0.3
91.71338	0.4
168.92647	0.3
223.12381	0.5
239.15712	0.6
251.15465	0.5
376.17242	0.9
377.17511	0.9
388.17923	0.4
389.18149	0.6
390.18671	1.1
391.19324	2.3
392.19943	1.5
393.20886	0.4
400.17078	0.6
401.17508	0.8
402.19299	0.6
403.19720	1.4
404.20853	0.8
405.20908	4.2
406.21640	2.5
407.22382	3.3
413.18204	0.7
414.18387	0.8
415.19147	2.6
418.22192	0.5
419.18286	1.1
419.22623	1.3
420.23453	0.9
421.23871	4.5
422.24475	0.8
427.19604	0.8
428.20050	0.8
429.20935	3.2
430.21808	1.5
431.23001	0.8
432.19525	1.1
433.20581	2.1
441.21152	0.6
442.21692	1.4
443.22607	1.3
444.23218	2.1
445.20474	1.4
446.21069	0.5
447.17331	2.5
449.24039	0.9
451.21786	0.5
457.24457	2.6
459.21930	3.5
460.22626	1.7
461.19171	6.2
462.20590	2.0
463.21460	1.2
470.21503	0.9
471.18384	0.6
472.22684	1.4
473.19495	0.8
474.20560	0.7
475.20917	6.9
476.21948	5.5
477.22455	4.1
478.23849	0.7
479.24481	1.2
485.23749	8.7
486.20313	3.5
487.25815	0.9
488.22360	0.9
489.22971	4.7
493.22287	0.8
494.26956	0.9
497.23376	0.9
499.21432	2.6
500.22208	1.8
502.23953	0.9
503.24454	6.3
504.25577	0.7
505.22617	0.5
507.24106	0.5
513.22797	1.6
515.24408	8.2
517.22473	1.0
521.26080	2.9
531.23981	14.3
535.23407	1.1
541.22205	0.9
549.24933	2.3
550.25909	4.3
559.23370	6.5
577.24231	1.1
591.26068	27.0
592.26990	0.6
609.27087	100.0
610.27448	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.02322	0.4
55.05508	0.9
57.50154	0.4
67.05498	1.6
69.07061	0.5
69.38323	2.9
72.40517	0.4
76.41970	0.4
78.96823	0.3
79.05499	1.3
79.38258	0.5
81.07054	1.7
82.72894	0.4
83.08599	0.4
83.20509	0.4
85.08377	0.4
91.05483	1.3
92.90682	0.4
93.07044	1.4
95.08618	1.1
96.04596	0.4
98.21587	0.7
105.07025	1.4
107.08594	1.2
109.10177	0.5
117.07019	0.8
119.08617	0.8
121.10136	0.6
133.10228	0.9
145.10153	1.2
147.11707	0.4
157.10233	0.4
159.11726	0.8
173.13283	0.7
183.11777	0.6
187.02950	0.4
197.13391	0.4
236.80052	0.4
237.13846	0.4
257.18884	0.4
275.20099	0.6
311.15146	0.4
314.94919	0.4
329.24899	0.4
404.21078	0.5
405.20779	1.4
407.22977	0.4
414.18649	0.5
415.19318	1.2
416.20349	1.0
419.18134	1.0
419.23077	0.6
420.23639	0.5
429.21024	2.2
430.21393	1.3
431.18570	1.1
433.19507	0.7
433.23978	1.5
434.20886	0.7
443.22662	0.9
444.23074	1.8
445.19467	0.7
445.24603	0.8
447.17859	1.3
447.22617	1.0
448.22717	0.9
457.19318	0.4
458.25052	0.8
459.21359	4.0
460.22885	2.4
461.19254	1.7
461.23651	2.6
462.20047	2.8
463.21423	0.8
471.22183	0.8
472.22653	2.3
473.23468	1.2
474.24643	0.5
475.20667	0.9
476.22037	2.8
477.22797	2.1
485.23630	1.6
487.24841	3.2
489.23053	1.3
503.24442	1.9
508.25598	0.5
519.23901	2.2
521.21478	2.7
531.23938	24.4
532.24567	1.4
549.25000	15.6
563.26666	1.3
581.27362	0.6
591.26538	3.6
609.27087	100.0
609.44391	3.0
610.27734	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.2
55.01874	6.1
55.05518	22.6
57.03439	12.3
58.06586	2.5
61.02922	1.4
65.03948	3.6
67.05514	44.6
69.03436	18.6
69.07075	15.4
71.01339	2.2
71.04975	6.7
71.52610	2.6
75.59528	1.4
79.05499	48.2
81.03426	79.5
81.07058	33.9
83.04993	22.2
83.08629	18.3
85.02911	15.1
85.06570	4.0
87.04548	1.7
91.05486	33.1
93.07055	42.1
95.04967	15.5
95.08621	16.5
97.02898	16.3
97.06554	6.6
97.10162	10.1
99.04472	7.6
99.08082	2.4
105.07042	21.2
107.04962	8.5
107.08606	24.9
107.09287	1.7
109.02885	15.7
109.06528	4.9
109.10155	11.5
111.04452	11.9
111.08072	7.5
115.05486	2.7
117.07026	8.3
119.08589	17.8
121.06519	4.2
121.10155	12.6
123.04434	1.7
123.08125	2.2
123.11726	3.0
125.05984	1.9
125.09649	4.9
127.03918	11.7
128.06252	2.5
129.05502	1.9
129.07030	6.3
131.04897	2.4
131.08586	11.3
133.06496	3.3
133.10152	8.0
135.08076	3.4
135.11707	26.6
137.06026	1.9
137.09631	1.9
142.07767	1.7
143.08617	5.2
145.06522	3.0
145.10123	9.9
147.08069	3.8
147.11684	8.6
149.06012	2.6
149.09630	2.8
153.12814	3.5
155.08537	2.3
157.10168	6.1
159.11684	2.7
161.09644	1.5
163.11157	9.6
165.12772	3.5
169.10225	2.1
173.04579	2.4
173.09712	2.1
175.11220	7.5
181.12228	12.2
183.11757	2.0
185.13303	3.6
187.11273	1.9
189.11252	1.8
191.10788	2.9
193.12248	26.2
197.13274	1.4
199.07527	1.6
211.13281	36.8
227.12730	7.3
255.15903	13.2
267.16028	5.4
283.15671	2.5
285.17062	3.2
289.14496	1.6
308.26773	1.8
325.16629	2.5
335.07431	1.4
337.16592	2.9
355.17621	8.5
355.22549	2.6
363.18195	2.3
381.19238	3.0
411.20236	4.9
421.25870	2.1
429.26437	2.1
432.83749	1.4
447.27408	17.5
447.33130	1.7
465.28503	13.9
561.47437	1.7
591.32104	6.6
609.32788	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	609.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94395	3.3
53.03939	4.0
55.05513	15.9
57.07072	5.3
67.05504	22.0
69.03420	12.0
69.07069	34.9
69.77359	15.4
79.05476	12.6
81.03430	12.7
81.07058	73.6
82.05148	3.4
83.08608	17.4
85.02905	16.5
85.06536	4.9
87.00836	8.8
91.05482	8.2
93.07050	18.5
94.97333	3.1
95.04960	4.4
95.08610	100.0
97.02883	9.4
97.10181	15.1
99.04510	3.5
99.08099	6.1
105.01871	9.7
105.07085	7.4
107.08588	18.4
109.02911	4.7
109.10162	44.6
111.08083	4.3
111.11707	6.8
119.08563	13.8
121.10135	13.4
123.11720	25.1
127.03912	9.8
133.10182	4.8
135.11682	13.2
137.05978	6.8
137.13266	7.9
139.11194	4.9
145.05032	3.3
147.11702	5.2
149.13257	10.7
151.11183	4.3
151.14810	29.1
157.12183	5.0
161.13263	6.3
163.14824	7.0
165.16347	5.5
175.14780	5.5
177.16345	3.6
179.14268	8.1
193.15901	6.7
197.15404	4.6
207.17557	6.4
215.17836	6.3
220.44800	3.6
225.18494	3.6
231.05077	3.7
233.19063	5.4
237.18396	5.3
271.24326	8.3
289.25247	19.4
307.26306	55.4
325.27496	8.7
397.21783	3.4
397.27106	3.2
415.28323	5.8
519.29718	4.7
537.30237	4.1
565.29291	5.0
609.28943	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	609.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94395	3.3
53.03939	4.0
55.05513	15.9
57.07072	5.3
67.05504	22.0
69.03420	12.0
69.07069	34.9
69.77359	15.4
79.05476	12.6
81.03430	12.7
81.07058	73.6
82.05148	3.4
83.08608	17.4
85.02905	16.5
85.06536	4.9
87.00836	8.8
91.05482	8.2
93.07050	18.5
94.97333	3.1
95.04960	4.4
95.08610	100.0
97.02883	9.4
97.10181	15.1
99.04510	3.5
99.08099	6.1
105.01871	9.7
105.07085	7.4
107.08588	18.4
109.02911	4.7
109.10162	44.6
111.08083	4.3
111.11707	6.8
119.08563	13.8
121.10135	13.4
123.11720	25.1
127.03912	9.8
133.10182	4.8
135.11682	13.2
137.05978	6.8
137.13266	7.9
139.11194	4.9
145.05032	3.3
147.11702	5.2
149.13257	10.7
151.11183	4.3
151.14810	29.1
157.12183	5.0
161.13263	6.3
163.14824	7.0
165.16347	5.5
175.14780	5.5
177.16345	3.6
179.14268	8.1
193.15901	6.7
197.15404	4.6
207.17557	6.4
215.17836	6.3
220.44800	3.6
225.18494	3.6
231.05077	3.7
233.19063	5.4
237.18396	5.3
271.24326	8.3
289.25247	19.4
307.26306	55.4
325.27496	8.7
397.21783	3.4
397.27106	3.2
415.28323	5.8
519.29718	4.7
537.30237	4.1
565.29291	5.0
609.28943	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	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
52.14446	0.5
53.03949	1.9
55.01878	1.4
55.05516	11.5
57.03452	2.7
57.07078	1.4
58.60604	0.5
65.03942	1.6
67.05510	21.7
69.07075	10.3
71.05006	0.8
71.12623	0.8
71.12935	0.7
72.89938	0.6
79.05501	16.0
81.06593	1.2
81.07064	20.6
81.07536	1.3
82.46728	0.5
83.04985	1.2
83.08621	4.7
85.06570	1.0
91.04914	0.6
91.05485	14.2
93.07052	16.1
95.04964	1.6
95.08617	18.0
97.06548	2.5
97.10184	3.2
97.10713	0.5
103.05518	0.7
104.29808	0.5
105.04567	1.0
105.07037	17.1
107.05036	0.5
107.08607	10.7
109.06513	0.8
109.10165	7.4
111.08086	1.4
115.05470	1.6
117.07020	9.9
119.08589	13.6
121.10153	7.6
123.11703	1.4
125.09636	0.8
128.06235	2.2
129.07016	9.4
130.07877	0.6
131.08574	13.3
133.10141	9.1
135.11699	4.7
141.06989	3.1
142.07784	2.4
143.08572	11.0
144.09433	0.9
145.10127	12.4
147.11713	5.6
149.09654	0.6
149.13266	1.9
153.06958	1.3
154.07819	1.0
155.08565	9.1
155.09724	0.8
156.09346	1.1
157.10143	12.3
159.11714	8.3
161.13219	2.9
163.11243	1.1
163.14891	1.5
165.07050	1.0
166.07881	0.9
167.08546	2.6
168.09354	2.0
169.10129	10.9
170.10942	0.7
171.11696	11.0
173.13286	4.9
175.14841	2.1
179.08604	1.6
179.14369	0.6
180.09300	0.9
181.10139	6.4
182.10966	0.7
183.11693	10.9
183.13240	0.8
185.11703	0.9
185.13255	7.5
187.14841	4.0
189.16414	1.2
193.10179	1.8
195.11687	5.1
196.12456	0.8
197.13269	8.4
199.14841	5.0
201.16490	1.6
203.18083	0.8
205.10088	0.7
207.11780	1.7
209.13278	5.4
211.14894	4.8
213.16348	2.7
215.17880	0.8
218.09964	0.5
219.11824	1.0
221.13300	2.2
223.14766	3.9
225.16495	3.0
227.18004	1.8
229.19441	0.7
233.18958	0.5
235.14923	0.9
237.16426	1.7
239.18028	2.0
241.19760	0.8
249.16347	1.1
251.18036	1.7
253.19632	0.7
257.19040	1.2
261.22128	0.6
261.64120	0.6
263.18054	0.7
265.19629	1.5
267.21112	0.9
271.20477	1.0
275.20148	3.5
279.21121	1.0
283.20618	0.8
287.23941	0.8
291.21204	0.9
293.22519	0.5
311.23816	1.3
321.22208	1.1
323.23572	0.9
325.25482	0.9
337.25412	0.9
341.24652	0.7
349.25406	1.2
351.26907	1.8
353.24597	0.7
363.26813	1.2
365.28491	0.9
367.26303	0.8
377.28287	0.9
379.30151	0.7
391.19064	0.8
393.31726	0.8
405.31775	0.6
407.28796	0.6
433.20392	0.9
435.21750	0.9
435.32660	0.6
447.32587	1.7
463.20950	1.1
472.51767	0.6
475.21204	0.9
475.35135	1.1
485.23462	1.1
489.23184	0.7
499.39914	1.1
501.35611	0.9
503.24109	0.8
517.40588	7.2
521.36591	1.1
531.23822	1.2
535.41473	4.0
539.37622	0.9
549.25189	3.8
550.25385	1.0
573.43988	0.9
591.26080	2.4
591.44110	9.7
609.28308	15.6
609.45160	100.0
610.27667	1.1
610.45477	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.02393	0.4
53.03938	1.0
55.01889	1.5
55.05514	10.9
57.03436	3.1
57.07071	1.8
59.05009	0.6
65.03938	1.1
67.05508	21.5
69.03407	0.3
69.07071	9.5
69.44544	0.6
69.44949	1.5
71.05000	1.1
71.08658	0.4
79.05497	14.4
81.03394	0.6
81.07059	21.2
83.04985	1.0
83.08623	6.0
85.06537	1.2
91.04900	0.5
91.05482	12.6
93.07048	14.2
95.04966	1.1
95.08612	17.8
97.06543	1.9
97.10172	3.0
103.05537	0.4
105.07034	12.8
107.08599	9.8
107.09312	0.6
109.06550	0.3
109.10165	8.1
111.08086	0.7
111.11711	0.6
115.05459	1.1
117.07027	6.5
119.08585	13.0
121.06535	0.4
121.10155	6.8
123.08070	0.8
123.11691	2.1
125.09666	0.9
128.06207	2.3
129.07008	9.3
129.07927	0.6
130.07805	0.7
131.08580	10.8
133.10133	8.7
133.11102	0.6
135.11684	4.3
137.09612	0.5
137.13342	0.4
141.07005	4.6
142.07765	2.2
143.08568	12.3
144.09404	0.5
145.10129	11.3
147.08067	0.4
147.11690	5.6
147.12799	0.5
149.09645	0.5
149.13264	1.8
153.07036	1.5
154.07790	1.5
155.08556	9.4
156.09363	1.4
157.10133	11.1
158.10933	0.5
159.11699	8.5
161.13268	3.0
163.14871	0.5
165.07068	1.1
166.07814	0.6
167.08572	5.2
167.09908	0.5
168.09326	1.5
169.10130	13.3
169.11568	0.7
170.10837	0.6
171.11700	10.8
173.13275	5.2
173.14684	0.4
175.14864	1.7
179.08528	1.8
179.14255	0.3
180.09378	0.9
181.10136	7.2
182.10965	1.3
183.10056	0.7
183.11690	12.9
184.12413	0.5
185.13258	8.0
185.14865	0.4
187.14816	3.7
189.16429	0.8
191.08502	0.4
192.09352	0.4
193.10115	2.3
194.10889	0.7
195.11710	8.6
196.12450	1.2
197.11478	0.7
197.13261	10.0
198.14105	0.4
199.11191	0.3
199.13228	0.4
199.14844	5.6
201.16438	1.1
203.17970	0.7
205.10188	0.7
207.11755	2.3
208.12607	0.6
209.13269	6.5
209.15118	0.6
210.14075	0.6
211.14838	7.6
211.16757	0.5
213.12933	0.4
213.14697	0.5
213.16431	3.1
215.17938	0.7
219.11743	1.2
219.17406	0.5
220.12395	0.3
221.13254	2.9
223.14818	5.2
224.15540	0.3
225.16403	5.9
225.18527	0.5
227.18062	2.7
229.19611	0.4
233.13268	0.9
233.19087	0.5
235.14833	2.6
236.45882	0.3
237.16432	2.9
238.16608	0.3
239.17966	3.3
241.17841	0.9
241.19638	1.2
243.17445	0.4
247.14890	0.7
248.15651	0.3
249.16409	1.7
251.17941	2.4
253.19571	1.3
255.17386	0.4
255.21300	0.7
257.19089	0.9
259.20670	0.4
261.16330	0.6
263.17929	0.7
265.19464	1.6
267.21252	0.7
269.18985	0.6
271.20718	0.4
275.17828	0.4
275.20523	0.4
277.19476	0.9
279.21094	0.8
281.19022	0.5
283.20688	0.9
285.22183	0.7
291.20941	0.5
293.22659	0.6
295.20694	0.8
297.18695	0.5
297.22192	1.0
299.20197	0.6
299.23553	0.5
305.22574	0.5
307.20352	0.6
309.22125	1.0
311.20227	0.6
311.23724	0.8
313.21875	0.7
313.25259	0.4
321.22150	0.8
323.23804	1.3
325.21640	0.4
325.25296	0.4
327.23145	0.8
333.25577	0.4
335.20142	0.4
335.23654	0.8
337.25259	2.0
339.23190	0.6
339.26855	0.5
341.24963	0.7
349.25217	1.4
351.27011	1.4
353.24670	0.7
355.26559	0.5
361.25308	0.6
363.26697	1.2
365.28412	1.6
367.26321	0.8
369.28214	0.7
377.28186	0.6
379.30078	0.9
381.28021	0.7
383.29373	0.5
388.35056	0.3
389.28073	0.4
391.29962	0.9
393.27484	0.4
393.31927	0.6
395.29346	0.4
405.31946	0.5
407.29340	0.9
409.31000	0.5
417.31284	0.6
419.28610	0.4
421.31213	0.9
429.31677	0.4
433.30765	0.4
435.32263	0.5
447.32632	1.7
449.34454	0.8
457.33411	0.4
461.34122	0.6
473.32709	0.6
475.35416	0.6
487.34848	0.5
499.39740	1.7
501.35971	0.6
507.35031	0.5
513.22455	0.3
513.36743	0.6
515.37738	0.4
517.40430	11.4
521.36243	0.4
525.35760	0.5
535.41553	5.8
539.37463	1.5
540.38556	0.3
541.38770	0.7
553.42346	0.5
555.41931	0.6
565.42462	0.4
567.41138	0.5
573.43073	2.1
591.44116	14.9
609.45154	100.0
610.45233	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	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.8
51.02367	1.7
53.03951	7.1
55.01874	5.1
55.05515	20.1
57.03441	9.7
57.07077	2.2
65.03944	5.2
67.05508	60.0
69.03440	2.0
69.07072	25.8
71.04994	2.2
71.08633	1.3
77.03937	2.7
78.71976	0.9
79.05498	60.7
81.03426	6.7
81.07062	64.7
81.97525	0.9
83.04991	5.7
83.08614	8.5
85.06547	4.2
89.52502	1.0
91.05486	67.7
93.07050	68.4
95.01332	6.4
95.04970	11.2
95.08612	42.0
97.06533	13.4
97.10173	2.6
99.04469	2.7
99.08104	2.0
100.11148	0.8
103.05506	2.2
105.04556	2.1
105.07034	59.8
107.04952	11.7
107.08602	28.4
109.06517	7.2
109.10168	11.8
111.08075	4.0
113.09576	1.0
115.05474	2.4
117.07021	19.0
119.08590	38.2
121.06525	2.3
121.10146	19.1
122.41554	0.9
123.08083	3.7
123.11745	2.7
125.09669	1.0
129.07011	2.8
130.07791	1.0
131.08575	25.9
133.06448	1.1
133.10141	33.0
135.08052	4.7
135.11697	12.8
137.09668	3.1
137.13226	0.9
141.07007	2.2
143.08578	4.5
145.06503	1.2
145.10132	21.9
147.11699	14.2
149.09605	5.4
149.13222	5.0
151.11224	1.6
153.12737	2.4
157.10153	3.2
159.11697	14.2
161.09644	1.4
161.13245	6.4
163.11229	1.6
163.14731	1.3
165.09084	1.7
169.10152	2.5
171.11745	3.6
173.13252	5.1
175.11310	1.4
175.14824	2.1
177.12805	1.9
179.14314	10.6
183.11702	1.4
185.13252	3.8
187.11201	1.9
192.96175	0.9
197.13327	0.9
201.12875	1.0
201.16437	4.0
203.14349	2.8
205.12236	2.0
219.17451	88.1
229.19673	1.2
239.18005	2.5
247.20674	2.6
257.19000	8.6
275.20068	66.8
288.55560	1.2
293.21204	4.6
331.22760	1.2
335.25592	1.6
336.50980	0.9
349.23932	2.6
440.87146	1.0
505.35056	2.3
543.06769	1.4
549.26422	1.3
609.28558	5.6
609.45197	100.0
610.45648	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	609.4522
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.02386	1.0
53.03948	2.7
53.98951	0.9
55.01888	1.1
55.05515	14.4
57.03431	4.2
58.02827	1.1
67.05510	22.8
69.06735	1.1
69.07073	12.9
71.04982	1.9
71.52148	1.3
73.41653	1.0
79.05499	17.1
81.03422	1.5
81.07066	23.1
83.04965	1.4
83.08633	6.4
85.06532	1.1
91.05480	12.4
93.07050	17.0
95.05004	1.3
95.08608	17.2
97.06526	2.0
97.10180	3.6
105.07047	14.0
107.08604	11.6
109.06531	1.0
109.10168	10.1
111.08083	1.8
117.07041	7.1
119.08602	10.9
121.10149	7.6
123.08088	1.4
123.11749	2.1
125.09673	1.2
128.06241	2.3
129.07022	9.2
131.08568	11.6
133.10147	9.8
135.11702	4.7
141.06990	6.5
142.07861	2.4
143.08572	13.5
145.10127	13.5
147.10658	0.9
147.11650	5.3
149.13304	1.8
153.07016	1.5
154.07826	1.6
155.08560	10.9
156.09274	1.5
157.10141	11.2
159.11711	9.6
161.13283	2.9
163.14929	1.4
167.08600	6.1
168.09366	2.2
169.10135	13.8
171.11710	9.8
173.13295	4.9
175.14813	2.3
179.08562	2.3
181.10135	10.2
182.10890	2.0
183.11745	14.5
185.13268	8.0
187.14893	3.0
193.10135	2.5
195.11714	9.7
197.13277	11.3
199.14864	7.0
201.16536	1.6
207.11752	3.4
208.12248	1.4
209.13339	6.7
210.13748	1.4
211.14832	7.9
213.16397	3.7
215.17986	1.7
221.13359	2.9
223.14886	5.4
225.16425	5.5
227.17999	3.3
233.13309	1.5
235.14882	3.1
237.16391	4.0
239.17941	3.8
241.19652	1.8
251.18083	3.4
253.19658	1.5
261.16528	1.4
265.19577	2.2
279.21240	1.2
295.24194	1.4
297.22305	1.2
304.94061	1.1
337.25220	2.4
343.16162	1.1
351.27124	1.8
365.28595	2.2
379.30286	1.2
381.28345	1.3
447.32523	1.3
461.34283	1.4
499.39273	2.3
517.40424	14.1
535.41718	6.7
539.36804	1.4
549.26868	1.3
553.41833	1.3
573.43134	2.7
591.44128	17.6
609.28131	6.2
609.45154	100.0
610.45251	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	610.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44642	0.2
56.96593	0.3
57.03440	0.2
65.03941	0.7
69.03422	0.7
70.06592	0.6
71.04987	0.5
71.28851	0.2
71.51569	0.4
79.05497	0.4
81.03412	1.1
84.08199	0.3
85.02916	1.8
87.04462	0.7
89.03897	0.3
91.05476	4.9
97.02895	0.8
99.04452	0.5
105.05489	0.4
107.04944	0.7
109.02885	0.4
119.04945	16.3
120.05314	0.4
123.06554	0.6
127.03916	0.5
135.04379	0.8
137.05968	0.9
138.75450	0.3
145.02843	0.5
147.04413	100.0
148.04749	2.9
153.05420	0.3
155.77170	0.2
163.03923	5.2
164.07086	0.3
165.05489	2.3
167.07137	0.3
181.05096	0.3
207.11322	0.2
269.10214	3.4
286.09286	0.5
287.05438	0.4
291.08609	0.9
303.05084	0.3
309.09677	5.5
325.09161	0.6
355.07306	0.3
399.71948	0.4
433.72150	0.3
487.96878	0.3
564.18640	0.3
610.18250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01871	2.6
55.05307	1.6
55.05510	16.4
55.54686	1.7
57.03437	2.2
57.07078	10.4
59.04998	3.9
67.05509	21.1
69.03419	2.4
69.07076	39.0
70.06617	1.8
71.04996	11.7
71.08633	4.4
71.52024	2.6
73.04760	1.6
79.05511	10.8
81.03412	2.5
81.06590	3.4
81.07059	57.5
83.04972	3.0
83.08625	26.9
85.02898	6.4
85.06543	4.8
85.10178	2.2
89.06049	15.6
91.03992	1.8
91.05494	6.1
93.07058	28.6
95.04981	2.8
95.07996	4.3
95.08611	80.8
97.02892	2.4
97.06530	7.3
97.10184	8.5
99.08115	2.6
105.07043	10.7
107.08606	28.3
109.09476	3.2
109.10162	40.2
111.08082	25.3
111.11724	10.4
119.08602	8.3
121.10162	21.3
123.11713	28.3
125.09650	1.8
125.13244	4.3
127.03900	4.1
131.08582	2.2
132.00375	1.7
133.10130	8.2
135.11719	14.0
137.06007	3.6
137.13249	17.5
139.11169	3.0
147.11696	6.9
149.13271	23.7
151.07468	1.7
151.14836	5.1
153.12781	3.3
161.13271	7.5
163.03915	10.3
163.14856	14.0
165.12732	2.0
165.16374	5.3
167.14313	3.0
175.14847	2.9
177.16377	9.3
179.17958	1.6
184.36328	1.6
189.16391	2.8
191.17978	5.7
203.17955	4.4
205.19525	2.4
209.19022	2.5
217.19510	3.6
229.73550	1.6
235.38268	1.6
261.25735	12.6
273.25803	24.9
279.26889	25.5
291.26843	80.1
292.83890	1.6
303.05011	7.9
309.27893	100.0
327.29019	8.3
503.29996	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	610.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	14.3
55.01860	25.0
55.05518	70.5
57.03425	25.9
60.20500	8.8
67.05509	78.1
69.07068	59.5
71.04992	19.9
71.52409	12.3
73.04761	11.4
74.54659	8.1
74.56010	9.2
79.05135	9.6
79.05501	95.5
81.03419	56.9
81.07058	86.5
83.04972	16.2
83.08617	34.7
85.02886	14.8
91.05446	64.3
93.07030	80.7
93.71003	8.2
95.04967	28.2
95.08616	46.7
97.06565	16.6
97.10181	28.6
105.07047	68.7
107.04944	23.3
107.08601	69.1
109.06544	24.0
109.10157	29.9
111.08066	13.2
115.40242	8.2
117.07014	21.9
119.08598	54.5
121.10145	29.1
123.08069	17.7
125.09634	35.9
129.07076	12.1
131.08565	36.0
133.10130	24.7
135.08078	16.0
135.11696	24.1
138.76259	8.7
143.08467	11.6
145.10138	24.1
147.08046	13.2
147.11659	22.5
149.09642	13.1
150.09163	22.8
157.10089	10.7
158.09537	8.6
159.11710	13.6
161.13271	8.5
163.11194	37.8
171.11768	13.6
176.10725	90.6
177.35434	8.6
189.11220	19.0
193.12234	22.3
194.11792	100.0
211.13287	35.8
227.12770	74.8
267.15854	9.9
273.18469	9.2
274.08340	63.0
275.20108	42.4
283.15372	68.5
285.16995	44.5
291.19595	82.5
303.04968	52.7
304.26282	8.7
306.92886	7.7
324.16251	8.5
349.23694	48.0
355.06964	15.0
365.23248	29.8
379.20953	10.5
391.58951	9.3
453.24658	15.7
477.28409	22.9
557.34650	56.3
566.72150	9.4
575.35663	30.4
610.35333	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.0
55.01869	14.7
55.05510	34.6
57.03439	18.6
63.44497	3.5
65.03922	8.3
67.05512	98.7
68.05835	6.6
69.07077	36.8
70.46735	10.0
71.05010	8.9
74.14198	3.5
79.05082	5.6
79.05505	87.0
79.05962	4.8
81.03426	37.0
81.07067	95.7
83.04994	21.2
83.08621	13.1
85.02915	6.1
85.06570	7.8
91.05487	64.3
91.89667	3.6
92.05857	5.1
93.06487	6.2
93.07053	91.0
94.07392	5.0
95.04980	14.3
95.08618	73.3
96.08916	6.7
97.02905	13.9
97.06544	21.7
97.10131	5.7
98.23201	3.5
105.07049	49.4
106.07410	3.7
107.04946	18.1
107.08606	48.1
109.06523	19.0
109.10175	32.7
111.04476	32.0
111.08098	7.9
117.07063	21.8
119.08598	44.2
120.08913	5.0
121.06506	11.1
121.10168	34.4
123.08074	12.6
123.11687	6.7
125.06001	14.6
129.07048	8.4
131.08563	41.4
132.08908	7.6
133.10129	28.7
135.11703	25.2
137.09633	5.4
139.52155	4.6
143.08589	8.4
145.10139	45.5
146.10513	3.8
147.08099	4.5
147.11705	15.3
149.13251	7.0
153.12761	11.5
155.08556	6.9
159.11700	14.2
161.13260	5.2
163.11188	36.4
163.14810	4.0
171.11754	5.2
173.09575	9.8
173.13260	4.4
179.14299	3.6
181.12331	6.4
183.11713	4.4
191.10646	10.3
195.13834	3.8
209.11720	19.1
219.17450	10.8
220.17758	9.2
223.13353	37.4
225.16467	4.9
227.12840	14.8
241.14375	54.9
257.19110	6.8
261.22266	8.1
275.19894	11.2
276.20538	8.0
283.15411	23.1
315.18115	59.3
317.04953	4.5
335.25867	100.0
336.26331	4.1
337.77084	4.3
525.35284	10.1
543.36938	59.6
575.39508	54.2
592.26440	5.1
610.27118	11.5
610.45618	75.4
611.45105	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	610.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	6.2
55.01869	5.0
55.05513	18.5
57.03427	6.4
65.03928	3.7
65.12270	2.6
67.05189	3.6
67.05513	60.5
68.29755	2.7
69.07076	15.4
69.22656	3.0
69.22959	29.2
71.08652	15.6
73.04723	4.8
73.06579	3.1
79.05077	5.5
79.05499	66.5
81.03409	10.3
81.07059	60.1
83.04964	12.3
83.08617	10.6
89.17023	3.2
91.05482	59.4
93.07051	70.9
93.08952	3.4
93.79534	3.4
95.04973	14.9
95.08616	34.3
97.06529	9.1
97.10178	3.2
99.08083	9.1
105.04554	3.2
105.07045	42.6
107.04968	8.0
107.08593	24.1
109.06514	6.3
109.10146	8.7
111.47920	3.2
117.07018	9.6
119.08589	22.8
121.10148	11.4
123.08100	4.1
125.09642	4.2
129.06999	8.8
131.08554	10.4
133.10136	14.8
135.08025	3.1
135.11690	7.1
143.08560	10.7
145.10114	12.9
147.11710	27.2
149.13240	8.8
151.11215	19.7
157.10161	3.9
159.11693	8.2
161.13268	13.8
163.11176	13.3
171.11684	22.1
175.14801	3.6
179.14265	8.2
183.11781	3.8
189.12695	9.4
195.13847	4.0
207.13803	20.6
227.12689	5.0
259.20560	6.5
269.17526	11.1
277.21741	16.5
281.17526	50.3
303.05066	19.1
333.24432	4.6
335.25861	3.9
351.25369	21.5
379.24506	3.2
459.31104	5.1
475.30566	100.0
543.36841	7.3
557.38470	34.3
610.45551	23.3
611.27606	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	611.1607
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03936	0.5
55.05504	0.3
57.03440	2.0
61.02919	0.7
68.99797	0.3
69.03439	1.3
70.92263	0.3
71.04998	10.8
71.18337	0.4
73.02908	0.7
80.08559	0.3
80.66322	0.3
81.03410	0.6
81.07047	0.3
83.04986	0.5
85.02910	15.6
87.04443	0.3
91.03985	0.2
91.05464	0.3
93.07071	0.3
97.02890	1.5
99.04477	0.3
109.02861	0.6
111.00786	0.4
115.63997	0.2
121.02882	0.5
127.03912	0.9
129.05490	3.2
135.04475	0.3
135.08087	0.3
137.02316	2.3
137.05936	0.3
145.04985	0.6
147.06554	0.8
149.02354	0.3
153.01859	2.4
161.06024	0.3
163.03900	1.0
165.01869	1.6
173.05870	0.3
183.02892	0.7
184.47729	0.2
201.05473	1.0
213.05713	0.3
213.30531	0.3
229.05025	2.8
247.05988	0.4
257.04486	2.3
274.04697	0.5
282.16388	0.3
285.04019	1.3
303.05005	100.0
304.05466	0.7
465.10455	0.6
611.30438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Rutine
Peak:m/z	Relative Intensity
51.48388	0.2
57.03439	1.2
61.02937	0.4
62.84093	0.2
64.73231	0.2
68.99797	0.3
69.03448	1.1
69.62914	1.3
71.04998	9.5
75.04478	0.5
81.03410	0.5
83.04993	0.6
85.02910	12.5
87.04476	0.3
88.95456	0.2
91.74512	0.2
97.02908	1.5
109.02884	0.5
111.00790	0.5
111.04500	0.3
121.02890	0.6
127.03928	0.7
129.05484	3.0
137.02357	1.8
145.04942	0.8
145.67711	0.2
147.06516	0.9
149.02325	0.3
153.01849	2.4
163.03932	0.5
165.01863	1.3
165.84657	0.2
173.06000	0.4
183.02863	0.6
186.37584	0.2
201.05417	1.1
219.06470	0.2
227.61572	0.3
229.04977	3.0
242.98517	0.2
247.06187	0.6
257.04431	2.2
274.04822	0.4
285.04050	0.8
303.05005	100.0
304.05374	0.7
428.85251	0.2
465.09985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2866
Annotation	Humilinolide C
Peak:m/z	Relative Intensity
54.03098	0.6
67.05505	1.5
71.04973	1.0
71.52654	1.0
76.87266	0.5
81.07053	1.4
85.02907	1.7
91.36184	0.6
93.07040	0.6
93.83920	0.6
95.08611	0.8
131.08623	0.7
138.68820	0.5
303.05069	9.0
338.94406	0.6
356.06927	0.7
379.19067	0.6
391.19119	0.9
405.16629	1.1
405.21283	1.0
407.22726	2.7
418.17758	0.7
419.18851	2.4
420.19461	1.7
421.20175	1.4
423.21951	0.7
433.20200	6.6
434.21191	2.5
435.17664	2.0
435.22031	3.4
436.18643	1.0
437.23471	3.9
438.24176	1.0
446.21268	1.3
447.21869	1.9
449.19547	3.7
450.20834	2.4
451.21298	2.8
461.24033	0.7
463.21027	3.9
464.21988	5.9
465.22852	5.2
477.22919	2.4
491.24777	1.1
509.22198	2.0
521.25574	5.8
522.22760	0.6
523.26385	0.7
551.26526	23.9
552.26526	1.1
581.27588	1.0
593.27789	0.7
611.28650	100.0
612.28961	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32404	1.8
50.61879	1.9
51.17387	1.8
52.56330	1.8
53.03939	7.0
55.01873	5.0
55.05512	15.6
57.03429	6.7
57.07066	8.4
59.04994	2.2
61.02918	3.4
65.03941	3.5
67.05504	30.3
69.03425	15.2
69.07064	34.6
69.44656	5.6
69.45072	10.0
71.04987	11.2
72.13954	1.9
73.02921	2.7
79.05141	1.8
79.05506	15.2
81.03430	14.4
81.07058	97.6
83.08616	16.2
85.02908	40.9
85.06538	13.1
87.00819	14.3
91.05471	9.7
93.06467	3.6
93.07040	32.1
95.04960	3.2
95.08605	100.0
97.02888	18.0
97.06525	5.2
97.10165	9.1
98.20739	2.1
99.04485	5.6
99.08105	9.8
105.01858	14.8
105.07027	11.1
107.04956	3.9
107.08591	30.0
107.15328	1.9
109.02871	9.8
109.10161	45.9
111.04448	3.0
111.08080	8.6
111.11709	10.2
113.06019	2.2
117.06983	3.0
119.04958	2.8
119.08578	9.1
121.10161	21.0
123.04398	2.4
123.11705	38.5
125.09624	3.3
127.03919	22.7
127.11138	3.7
129.05484	2.5
131.04933	3.8
133.10094	6.6
135.11700	18.7
137.05974	7.1
137.13242	17.8
145.04982	5.7
145.10075	4.3
147.04449	2.8
147.07974	2.1
147.11674	4.7
149.13263	30.0
151.14796	11.7
153.01784	2.4
153.12672	3.9
159.02888	4.6
161.05962	1.9
161.13249	4.1
163.03891	2.9
163.14807	27.1
165.16344	4.4
167.07103	11.5
167.14284	3.7
175.14857	3.1
177.16351	10.1
181.04980	9.7
181.15927	2.6
189.16368	2.8
191.17914	7.7
201.05482	2.6
201.16496	2.2
203.18074	4.1
205.51910	2.3
217.19608	3.7
229.04956	2.6
257.04510	2.2
261.25858	2.6
273.25775	15.0
279.26788	3.0
287.83432	2.1
291.26801	51.9
297.27924	4.0
303.04977	83.6
304.05240	3.0
309.27869	37.1
327.28961	8.9
381.27655	3.2
399.28928	4.1
417.29807	2.9
503.29968	4.0
521.30945	4.7
611.21088	3.4
611.30481	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	611.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
54.08321	0.7
55.01877	1.1
55.05267	1.4
55.05514	17.3
55.05767	1.7
57.03441	5.1
57.07074	2.7
57.38941	0.8
65.03939	2.5
66.93374	0.8
67.05508	44.2
69.07070	14.8
71.05003	1.8
74.09726	1.2
79.05497	32.7
79.94167	0.8
81.07058	48.0
83.04990	2.7
83.08616	6.4
85.06563	2.0
85.51389	0.9
91.05482	28.7
93.07050	36.5
93.07645	1.9
95.04990	1.7
95.08613	33.7
97.06520	2.4
97.10190	2.6
98.21545	1.9
103.05460	1.0
105.04508	1.7
105.07034	30.2
107.08591	23.5
107.09312	1.3
109.06535	2.2
109.10156	14.0
109.10856	1.4
111.08101	2.8
113.98133	0.8
115.05467	1.7
117.07024	11.0
119.08582	27.6
121.10152	19.5
123.08090	1.6
123.11703	4.9
125.09667	1.2
128.06218	1.9
129.07007	9.5
131.08572	22.6
133.10143	21.2
133.11105	1.7
135.11705	12.1
137.13290	1.6
141.07011	2.3
142.07861	1.6
143.08562	14.1
144.09409	1.3
145.10133	18.8
147.11687	16.5
149.13278	6.8
151.11234	1.0
155.08563	5.2
156.09380	1.4
157.10114	11.6
158.10951	1.1
159.11707	17.6
161.09642	1.3
161.13261	13.0
163.14830	2.5
169.10104	5.2
171.11705	10.9
173.13277	10.8
175.14861	5.6
177.16373	0.9
181.10080	2.1
183.11699	4.6
185.13277	7.7
187.14830	4.8
189.12744	1.1
189.16441	2.3
195.11739	1.8
197.13260	5.9
199.14842	6.3
201.16461	2.8
209.13327	2.1
211.14870	3.4
213.16432	3.0
215.17981	2.9
223.14764	1.4
225.16570	1.7
227.18005	2.1
229.19600	1.3
231.21030	2.0
235.14647	0.9
237.16565	1.5
239.06586	0.8
239.17955	1.5
241.19600	9.9
243.21179	1.4
245.03191	0.7
251.17921	1.2
257.19049	3.5
259.20590	19.5
261.22202	3.1
269.19061	0.9
269.92950	0.8
271.20831	1.3
285.22314	1.0
297.22174	1.2
299.23746	1.0
313.25256	1.2
315.23425	1.9
331.22754	0.9
333.24240	11.6
335.25854	21.0
337.27530	1.8
339.27014	1.1
353.28577	1.3
365.28610	1.0
409.31152	1.0
449.33539	1.1
489.59402	0.8
501.35217	1.1
519.42371	5.1
527.37085	0.9
533.57770	0.9
537.42950	3.6
541.38690	1.1
593.45636	10.3
599.74640	0.8
611.46716	100.0
612.47809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.4
53.03938	1.2
55.01863	1.3
55.05515	14.1
57.03441	3.1
57.07083	3.4
62.39180	0.4
62.53531	0.3
65.03945	1.5
67.05509	25.3
69.07071	11.2
69.20551	3.1
69.20958	0.5
69.47621	0.3
71.05000	1.0
71.08639	1.9
74.59673	0.4
75.28991	0.3
77.03947	0.7
79.05496	17.0
81.03434	0.5
81.07060	25.2
83.04978	1.2
83.08625	7.1
85.06558	0.5
91.04911	0.5
91.05483	14.9
93.07052	17.7
93.07645	0.9
95.04967	1.2
95.08613	21.3
97.06541	2.3
97.10178	3.2
98.20737	1.0
99.08096	0.9
103.05472	0.9
105.04527	0.6
105.07038	17.9
107.04963	0.4
107.08600	11.4
108.62952	0.4
109.06507	0.6
109.10172	9.2
111.08094	1.1
111.11758	0.5
115.05444	1.2
116.06178	0.4
117.07029	9.8
119.08589	15.1
121.06548	0.4
121.10153	7.7
123.08070	1.5
123.11700	2.4
125.09647	1.4
128.06198	2.1
129.07008	10.2
130.07767	0.9
131.08571	18.3
133.10135	9.1
135.08073	0.9
135.11696	4.6
137.09669	0.6
137.13229	0.9
139.11197	0.7
141.06985	2.8
142.07799	2.7
143.08569	11.4
144.09375	0.7
145.10132	15.9
147.11707	6.3
149.13258	2.2
151.14819	0.6
154.07829	0.7
155.08571	7.3
156.09370	0.9
157.10139	13.0
159.11714	10.3
159.13062	0.6
161.13275	4.2
163.11153	0.6
163.14932	0.9
165.16420	0.5
167.08568	2.6
168.09363	0.6
169.10133	8.1
170.10896	0.4
171.11700	9.7
173.13287	6.8
175.14882	1.8
177.16377	0.6
179.08607	0.9
179.14316	0.7
180.09334	0.4
181.10158	4.3
182.10930	0.5
183.11697	7.3
185.09558	0.4
185.13257	7.0
186.14110	0.5
187.14833	4.2
189.12823	0.6
189.16371	2.5
191.17966	0.6
193.10193	1.1
195.11649	3.1
197.13260	5.7
199.13246	0.5
199.14824	5.5
201.16435	2.6
203.17981	1.6
205.16103	0.4
205.19580	0.8
207.11737	1.3
209.13254	3.6
211.14825	4.3
213.16428	3.6
215.17966	2.8
217.15968	0.5
217.19664	1.1
221.13316	1.4
223.14824	2.6
225.16394	3.1
227.18060	2.7
229.19499	2.4
233.13379	0.6
235.14838	1.4
237.16502	1.3
239.18045	3.2
241.19942	1.9
243.21198	1.4
247.20775	0.5
249.16505	0.8
251.17993	1.7
253.19603	1.2
255.21098	1.2
257.22693	0.6
259.20721	0.5
261.22122	0.5
263.18033	0.7
265.19568	1.0
267.21027	1.2
269.18994	0.4
269.22678	0.9
271.20648	0.6
275.17685	0.4
275.20358	0.5
275.23386	0.4
277.21817	0.8
279.21170	0.9
283.20557	0.9
293.22876	0.6
295.24136	0.5
297.22113	1.0
297.25473	0.6
303.04953	0.8
309.22299	0.6
311.23782	0.7
323.23920	0.7
325.21835	0.4
325.25290	0.8
327.26901	0.4
339.26981	1.0
341.24808	0.7
341.28461	0.5
347.26550	0.5
351.26889	0.5
353.28555	1.2
355.29871	0.6
367.30078	0.8
369.27756	0.5
369.82956	0.5
381.31656	0.6
393.31458	0.7
395.33389	0.7
407.28842	0.7
431.33414	0.7
437.34372	0.7
449.34146	0.9
451.35989	0.8
463.35385	0.9
487.35400	0.4
499.34433	0.6
501.41214	1.3
519.01367	0.4
519.42017	7.1
523.37848	0.6
527.37555	0.7
537.43298	5.0
541.39099	1.1
543.40015	0.5
557.42798	0.5
575.44684	1.5
593.45734	10.0
593.55188	0.7
611.46753	100.0
612.47113	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	611.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01869	0.7
55.05512	13.4
57.03444	4.3
57.07064	2.1
62.58981	0.6
65.03926	1.8
67.05507	36.4
69.07066	11.9
71.04993	1.2
71.08622	1.0
71.38117	1.3
79.05496	25.2
81.07058	37.4
83.04975	1.0
83.08615	7.3
85.06533	2.2
91.05481	22.6
93.07048	29.2
95.04969	2.1
95.08611	27.7
97.06533	2.8
97.10180	2.8
99.08112	1.0
103.05522	1.2
105.07036	24.0
107.08591	17.6
109.06499	1.0
109.10158	11.1
111.08076	1.4
111.11739	1.4
115.05406	0.8
117.07022	10.7
119.08588	21.3
121.10148	13.6
123.08105	0.9
123.11731	3.2
125.09613	1.2
128.06245	1.6
129.05493	1.0
129.07021	6.7
131.08566	17.6
133.10136	17.3
135.08113	0.8
135.11708	12.1
137.13240	1.1
138.85393	0.7
141.06987	1.9
142.07785	1.4
143.08559	9.4
145.10120	18.8
147.11697	14.3
149.09576	0.9
149.13223	5.9
153.07027	1.0
155.08565	3.9
156.09373	0.8
157.10109	9.4
159.11700	14.8
161.09642	0.7
161.13255	10.8
163.11165	1.1
163.14861	3.1
167.08623	1.7
169.10089	4.7
171.11687	7.9
173.13258	10.0
175.11275	0.6
175.14832	6.2
177.16370	2.1
179.14355	0.8
181.10185	1.7
183.11722	5.2
185.13268	9.4
187.14748	3.5
189.16423	1.4
195.11737	2.2
197.13275	5.0
199.14771	6.0
201.16403	3.2
207.11690	1.1
209.13412	1.6
211.14848	2.9
213.12617	0.7
213.14656	0.7
213.16457	3.5
215.18022	2.7
217.19640	1.0
221.13385	0.7
225.16447	1.9
227.18179	1.4
229.19711	1.3
231.21130	1.6
235.14919	0.9
237.16330	1.2
239.17953	2.0
239.20201	0.7
241.19588	9.2
243.21115	1.2
251.17897	1.0
257.18900	3.4
259.20590	15.4
261.22192	2.8
275.20090	0.9
277.21939	1.1
283.20441	0.9
299.23837	0.9
311.23669	1.3
313.25555	0.7
315.23282	1.2
325.25311	0.8
331.22720	0.8
333.24219	10.1
335.25806	16.8
337.27325	0.8
339.26709	1.1
343.16110	0.7
347.25528	0.7
353.28568	1.0
367.30188	0.8
400.79468	0.8
409.30878	0.7
445.73184	0.7
449.34073	1.2
489.35501	0.9
501.34949	0.9
501.41367	1.9
519.41992	6.0
523.38019	0.8
529.38361	0.7
537.43317	3.2
541.39001	1.8
542.39209	0.7
593.45697	8.9
611.46704	100.0
612.47107	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.1
55.01855	1.1
55.05276	1.2
55.05519	17.1
56.26255	0.8
56.61588	1.0
57.03449	8.0
57.07077	3.8
65.03947	3.3
66.29449	0.9
67.05512	50.0
69.07078	19.6
71.04974	1.4
71.53242	1.1
74.23895	0.9
79.05502	41.1
81.07067	50.6
83.05014	2.1
83.08632	9.6
83.58916	1.1
85.06548	1.8
88.52387	1.0
91.05483	36.7
93.07054	43.9
93.07648	2.2
95.04986	3.0
95.08619	40.1
95.80024	1.0
97.06551	2.2
97.10185	4.5
99.08033	0.9
103.05474	1.9
105.04574	1.2
105.07044	36.5
107.08611	26.6
109.06552	1.7
109.10172	15.9
111.08100	2.5
115.05458	1.4
117.07037	13.8
119.08591	28.1
121.10166	18.9
123.08100	2.1
123.11712	4.6
128.06238	1.8
129.07016	9.8
130.07585	1.0
131.08574	24.9
133.10143	23.6
133.11115	1.8
135.08125	0.9
135.11705	12.4
137.13303	1.4
141.07039	3.6
142.07823	2.0
143.08591	14.7
144.09320	1.2
145.10138	23.5
147.11707	19.0
149.13268	6.6
151.14917	1.3
155.08533	5.6
157.10141	13.7
159.11725	18.1
161.13281	11.8
163.14908	2.2
167.08569	2.4
169.10144	9.4
171.11708	14.1
173.13266	11.3
175.11244	1.2
175.14844	6.0
177.16422	2.5
181.10168	2.7
183.11682	6.2
185.13266	9.7
187.14828	6.4
189.16454	2.4
193.94548	1.2
195.11734	2.1
197.13248	6.0
199.14862	6.8
201.16411	4.0
209.13234	2.3
211.14885	3.3
213.16454	4.2
215.17953	1.9
223.14992	1.4
225.16457	1.8
227.18123	1.9
229.19493	1.8
231.21106	1.5
237.16319	1.1
239.18056	2.4
241.15732	1.0
241.19684	7.4
243.21112	1.4
253.19698	1.3
257.19095	4.4
259.20605	15.8
261.22211	3.6
271.20645	1.2
275.20245	2.0
285.22290	1.8
287.20102	1.1
289.21848	1.1
297.21976	1.6
303.04980	1.1
315.23370	2.0
325.25369	1.9
329.24350	1.1
333.24261	11.2
335.25848	20.9
337.27444	1.3
339.23141	1.6
339.26944	1.4
353.28485	1.4
355.07611	1.1
367.30011	1.3
382.77188	1.1
390.37057	1.1
411.32706	1.1
501.41122	2.1
519.41791	5.7
537.43115	3.4
541.39008	1.6
541.69421	1.2
541.76953	1.0
593.45660	7.9
611.30573	3.5
611.46747	100.0
612.47211	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
54.84254	0.7
55.01872	1.5
55.05270	1.3
55.05515	14.6
57.03432	4.8
57.07082	4.1
57.17416	0.8
58.16722	0.7
65.03944	1.2
67.05141	2.0
67.05508	41.3
68.05830	0.8
68.50185	0.7
69.06729	1.5
69.07072	14.5
69.79549	4.8
71.04996	2.6
71.08645	1.9
75.93651	0.9
79.05497	29.4
81.03429	2.3
81.07061	42.3
83.04983	1.6
83.08633	7.9
85.06552	1.4
89.06039	1.5
91.05486	29.8
93.07053	35.6
93.07646	1.8
95.04984	3.2
95.08612	34.8
97.06557	2.7
97.10180	3.5
99.08115	2.3
105.04549	1.0
105.07042	28.7
107.08595	19.1
109.10159	14.7
111.08097	2.8
113.09682	1.2
115.05496	0.9
116.06244	1.0
117.07025	9.9
119.08590	23.3
121.10148	16.2
123.08087	1.3
123.11726	4.9
125.09656	1.4
128.06223	1.9
129.06990	10.4
130.07816	1.2
131.08574	21.6
133.10150	18.8
135.11714	11.1
137.09621	1.4
137.13266	1.9
138.93147	0.8
141.07004	2.7
143.08572	9.3
145.10132	21.6
147.11708	17.2
149.13260	7.7
155.08600	3.9
156.09271	1.0
157.10133	13.4
159.11705	15.3
161.13261	10.8
163.11182	1.1
163.14822	3.8
167.08638	1.7
169.10143	5.8
171.11713	10.1
173.13277	10.7
173.48105	0.9
175.14815	5.3
177.16452	1.2
179.08615	0.8
179.14368	1.0
181.10158	3.1
183.11719	7.4
185.13290	8.6
187.14818	5.5
189.12845	1.0
189.16420	1.7
191.18092	1.0
193.10410	1.0
195.11732	2.7
197.13278	4.8
199.14903	5.8
201.16473	3.2
209.13383	2.7
211.14984	3.9
213.14696	1.0
213.16446	3.3
215.17990	3.2
223.14882	1.5
225.16432	3.0
227.18130	1.9
231.21082	1.2
237.16510	1.2
239.18028	1.6
241.19568	6.7
242.82840	0.9
243.21185	1.9
253.19841	1.0
257.18951	3.9
259.20621	17.5
261.22162	3.3
297.22281	0.9
303.04962	4.0
311.23926	1.1
313.25320	1.6
315.23361	1.5
324.47278	0.9
325.25208	1.1
327.26947	0.9
333.24240	11.8
335.25766	21.3
337.27478	1.9
339.27032	1.0
353.28714	1.4
366.40921	0.9
381.31912	1.5
395.14417	0.9
423.32391	1.0
501.41428	1.4
519.42108	6.2
527.37341	1.1
537.42950	3.7
541.38824	1.2
593.26666	2.8
593.45490	7.0
611.28558	9.6
611.46686	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	612.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.4
55.01870	8.3
55.05515	24.6
57.03443	11.4
57.07078	2.0
59.04993	1.1
64.46100	0.9
65.03941	2.8
67.05508	43.1
68.79058	0.9
69.03423	2.1
69.07067	12.6
71.01367	1.2
71.04988	6.1
71.08639	13.8
71.52945	1.0
77.03915	1.1
79.05498	40.5
81.03423	15.8
81.07059	45.5
83.01353	6.0
83.04985	17.0
83.08619	19.6
85.02895	7.3
85.06533	2.9
91.04909	1.3
91.05482	32.2
93.07049	50.4
95.01314	1.5
95.04965	13.4
95.08613	23.3
96.08884	1.1
97.02908	2.3
97.06538	9.6
97.10184	8.9
99.04461	1.8
99.08096	8.5
105.04505	1.5
105.07037	20.1
107.04967	7.2
107.08601	24.4
108.08904	0.9
109.06532	8.5
109.10156	5.9
110.79224	1.1
111.04425	3.5
111.08096	6.6
113.09644	1.0
115.05537	1.1
117.07035	10.1
119.04973	1.0
119.08591	15.2
121.06530	6.6
121.10147	11.4
123.08066	8.0
123.11636	1.9
125.05978	1.2
125.09651	7.9
128.06195	0.8
129.07027	4.8
130.07779	1.6
131.08588	8.4
133.06432	1.3
133.10141	9.5
135.08051	3.4
135.11687	13.0
137.09563	2.0
139.07515	1.3
139.11188	1.6
143.08542	2.6
145.10124	12.9
147.04373	3.3
147.08064	1.2
147.10625	1.2
147.11664	5.7
149.02393	1.2
149.09637	2.6
149.13301	5.8
151.11191	9.2
153.12718	1.7
155.08549	1.3
157.10136	2.8
159.11700	6.3
161.13286	4.2
163.11185	22.4
165.12827	1.8
165.47458	0.9
173.09647	2.0
173.11826	1.2
175.11165	1.8
177.12737	2.8
179.14337	3.1
181.12167	2.4
189.11278	3.7
191.10703	2.0
193.12305	4.9
195.13811	4.4
209.11792	5.8
211.13303	6.0
213.14941	1.3
227.12796	16.9
233.15451	1.4
241.19626	1.7
251.16464	2.8
259.20612	4.3
260.13660	2.8
267.15927	3.0
269.17444	7.8
275.20142	2.1
277.21661	10.4
283.15417	38.5
285.16901	6.7
293.21106	22.2
295.22769	1.5
303.04926	2.1
304.05325	3.2
333.24170	1.8
351.25247	16.2
367.24677	4.8
381.22614	5.8
437.25330	1.9
439.21185	1.1
451.17429	1.3
453.24817	3.7
459.27484	2.3
461.28992	4.9
463.26654	1.1
477.28513	100.0
478.28745	1.7
525.24860	1.6
552.27026	1.3
553.24176	3.9
559.36218	13.8
577.37134	4.8
612.28235	3.4
613.26605	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	612.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.2
55.01865	6.9
55.05518	35.7
57.03424	19.7
65.03925	6.4
67.05513	74.4
69.07088	40.8
71.04997	10.9
71.52959	9.7
72.38753	4.9
77.00914	5.6
79.05503	79.3
81.03423	67.9
81.07063	93.7
83.04974	23.6
83.08627	28.3
85.02900	38.5
87.24893	5.2
91.05478	100.0
93.07051	78.4
95.01319	7.2
95.04973	38.6
95.08614	39.0
97.06523	17.0
97.10160	10.2
99.08022	5.4
105.07039	62.6
107.04960	19.3
107.08604	41.2
109.06522	12.9
109.10172	15.3
111.08063	14.8
117.07017	13.3
119.08575	38.5
121.06499	8.2
121.10157	24.8
123.08074	7.1
123.11717	7.4
125.09667	5.2
129.07005	17.0
131.08578	38.7
133.10149	29.6
135.08020	6.3
135.11720	11.6
137.27733	4.9
145.10112	13.0
147.04413	7.8
147.11697	17.5
149.09627	24.7
149.13255	8.2
157.10126	18.7
159.11719	14.7
163.03938	9.4
163.11189	15.3
165.12756	7.6
175.11185	13.9
177.12737	6.3
189.11281	6.2
191.07091	6.4
193.12250	51.3
211.13298	74.8
230.65456	5.1
255.15968	12.5
257.19061	10.8
260.13651	5.7
267.15939	19.8
269.17416	17.3
275.20151	31.7
285.16910	62.4
293.21155	6.7
294.77979	5.8
299.18478	9.0
300.18689	12.1
303.04922	22.1
304.05338	22.9
317.19589	13.1
318.19867	24.2
336.21066	10.4
349.23898	27.8
447.27039	5.6
461.28723	14.9
465.28360	20.9
479.29919	66.3
507.24826	5.9
531.49176	5.7
559.36243	14.9
576.39539	9.2
612.34869	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	612.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01868	2.7
55.05513	20.2
57.03444	19.7
57.07070	1.9
58.82809	1.7
60.18527	1.6
65.03934	2.1
65.19987	1.7
67.05508	55.3
69.03418	4.5
69.07063	14.6
70.08829	4.3
70.09220	2.8
71.04984	4.8
71.08675	2.1
77.96155	1.7
79.05499	37.2
81.03423	83.5
81.06600	3.5
81.07060	65.2
83.04967	4.1
83.08620	20.4
85.06535	2.2
91.05477	34.6
93.07050	46.6
95.04973	25.1
95.08606	42.9
97.02888	3.2
97.06541	5.2
97.10152	4.5
99.08121	2.1
105.07033	25.2
107.04927	5.0
107.08599	27.0
109.06487	3.3
109.10176	19.1
111.08076	7.1
115.05486	2.6
117.07018	7.0
119.08579	19.4
121.06492	4.1
121.10152	22.7
123.08073	2.6
123.11695	5.4
125.09620	3.9
129.07036	9.8
131.08589	19.6
133.06464	2.0
133.10124	13.5
135.11700	13.0
137.13220	4.1
142.07771	2.6
143.08517	3.3
145.10176	9.2
147.07971	2.1
147.11710	12.8
149.09584	5.7
149.13235	5.6
157.10144	13.7
159.11693	7.5
161.13231	5.8
163.11130	2.4
163.14716	2.2
165.12744	2.0
169.10075	2.2
171.11627	2.6
173.13268	5.8
175.11186	7.7
175.14877	2.8
183.11797	2.5
185.13187	2.5
187.14778	4.9
189.11143	4.0
193.12248	21.5
202.15897	2.0
211.13292	2.2
227.12782	7.3
243.21074	4.6
249.14902	3.4
261.22113	18.1
267.15921	100.0
301.25232	5.7
304.05020	3.0
317.24692	6.0
335.25800	81.1
435.32578	4.3
438.22699	1.9
453.33453	5.3
471.34821	2.8
524.26105	1.9
527.37402	53.1
527.45392	2.5
545.38409	27.4
550.24902	2.0
552.25446	6.5
559.39288	2.1
565.91260	3.3
612.18372	2.1
612.27966	36.6
612.46997	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	612.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.0
55.01865	7.5
55.05275	3.1
55.05514	33.7
57.03449	17.1
57.07067	6.7
59.04993	2.4
64.00402	1.7
65.03933	4.5
67.05508	98.4
69.03436	2.5
69.07072	34.8
70.07427	2.0
71.01353	3.4
71.04990	5.7
71.08608	2.6
79.05497	63.0
80.05816	4.1
81.03423	26.8
81.07060	91.0
82.07366	6.9
83.01338	2.8
83.04993	15.5
83.08622	20.8
84.08995	1.9
85.02898	6.1
85.06534	8.0
87.04505	2.0
91.05486	48.9
92.05801	4.0
93.07050	62.1
93.21014	2.2
94.07380	4.4
95.04961	14.3
95.08614	66.5
96.08971	4.4
96.45084	2.2
97.02893	9.2
97.06525	16.4
97.10203	10.0
98.21641	3.4
99.04427	2.2
105.07030	39.2
106.07381	3.6
107.04963	15.5
107.08592	35.0
108.08910	3.2
109.06526	16.3
109.10161	27.0
110.10458	2.3
111.04440	37.7
111.08053	6.8
111.11696	1.8
113.06023	1.8
117.07008	17.9
119.08579	36.8
120.08905	5.4
121.06511	11.3
121.10152	24.6
122.10526	2.8
123.08047	9.0
123.11692	7.1
123.64865	1.9
125.06012	11.4
125.09616	5.0
128.06213	2.3
129.07025	8.7
130.07764	3.9
131.08580	22.7
132.08957	3.2
133.10144	19.5
134.10428	4.7
135.08029	3.8
135.11700	25.5
137.05968	19.5
137.09596	3.2
137.13319	3.5
138.06320	4.0
139.46550	1.7
143.08543	8.2
145.06471	2.4
145.10135	33.9
146.10480	2.2
147.08057	5.2
147.11740	12.0
148.12044	3.9
148.59151	2.1
149.09618	3.3
149.13345	2.7
153.12785	9.2
155.08551	6.6
157.10152	5.5
158.10516	2.1
159.11679	8.9
160.12033	4.1
160.20099	1.9
161.13271	9.3
163.11188	32.2
169.10081	4.8
171.11667	6.4
172.11873	2.8
173.09573	9.6
173.13222	7.8
175.14816	6.2
177.12650	2.7
177.16269	1.9
181.12206	4.7
183.11652	3.8
185.13318	4.3
186.13600	2.4
189.16342	2.6
191.10715	11.7
199.14760	2.3
201.16241	2.3
209.11687	15.2
209.58238	1.8
223.13237	29.2
227.12660	10.1
241.14352	53.4
242.19780	2.5
259.20535	7.7
260.20883	8.6
263.23749	4.7
265.14362	5.1
277.18079	9.0
278.18268	5.8
278.21863	2.1
283.15442	20.1
315.18030	53.6
333.24249	3.7
334.24536	3.4
335.25793	7.1
336.26218	6.4
337.27374	100.0
338.27686	3.1
402.37540	2.2
435.32401	2.1
453.33844	3.2
520.42322	3.1
527.37317	9.1
542.38123	2.2
545.38397	61.9
565.90497	3.3
577.40997	61.9
594.45367	4.1
612.47284	66.7
613.48260	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01870	0.9
57.03440	0.5
61.63673	0.4
65.03946	2.5
66.04739	0.4
67.05493	1.6
69.03416	1.6
69.07054	0.7
71.05010	0.5
71.52743	0.5
74.15961	0.4
78.04717	3.0
79.05515	2.5
81.03410	1.3
81.07047	1.2
85.02913	3.0
85.06496	0.4
91.05488	5.3
92.07140	0.4
93.03420	1.2
93.07038	1.0
95.04958	2.0
95.08600	1.0
97.02896	1.1
97.06534	1.9
97.07096	0.4
97.10163	0.4
103.05472	3.5
105.07007	1.3
106.04174	1.7
107.04936	2.3
107.08571	1.0
109.02866	1.1
109.06544	0.6
110.03649	1.1
111.04447	0.5
115.05468	5.5
116.07879	0.5
117.07023	9.3
119.04952	4.6
121.06560	0.5
122.03680	1.0
123.04433	8.6
124.05238	2.6
125.05979	1.3
127.03909	1.2
127.05422	1.2
130.04167	0.4
131.04962	2.1
131.08580	0.5
133.02797	0.6
133.06523	0.7
135.04390	0.7
135.07983	0.4
137.05997	8.6
138.03123	0.9
142.02631	1.4
143.04930	0.7
144.36281	0.5
145.06494	12.5
145.10135	0.8
147.04419	4.7
147.08047	1.2
148.05194	0.9
149.06010	0.4
149.09576	0.6
151.03946	5.0
151.05031	0.8
151.07530	1.4
152.04675	2.4
153.05472	3.7
155.04889	0.6
155.06062	6.4
159.08092	0.7
160.05191	0.9
161.05984	1.3
163.03870	0.6
163.07538	1.5
165.05507	0.6
167.07053	100.0
171.06548	1.1
173.06006	22.0
175.07529	1.8
176.04738	0.5
177.05537	0.8
179.07037	1.6
181.04971	37.8
187.07481	0.6
189.05630	0.4
190.06262	0.5
191.07054	5.9
193.05005	0.6
203.07088	1.9
205.08588	6.1
207.08174	0.5
208.07254	0.6
209.08055	0.5
212.66864	0.4
219.06427	0.6
231.06580	0.7
233.08102	5.1
234.06650	0.5
235.07448	0.5
235.09657	5.9
263.09338	0.6
264.07870	0.4
265.08694	0.7
267.06503	0.6
283.09598	0.7
289.09265	0.4
310.08597	0.7
323.09058	0.5
325.10764	0.9
329.13873	0.8
355.11960	0.9
357.13385	3.4
375.30911	0.5
385.12836	18.4
386.13306	0.7
387.14404	7.9
417.15457	12.6
464.33368	0.5
474.10388	0.6
583.21875	3.3
594.60876	0.5
595.32477	0.5
613.22845	56.4
614.23303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2284
Annotation	PROTOCHLOROPHYLLIDE
Peak:m/z	Relative Intensity
53.03934	0.7
55.01862	0.8
65.03941	2.6
67.05513	1.4
69.03402	1.1
69.07036	0.3
70.39232	0.3
71.04977	0.4
71.39763	0.4
78.04716	3.2
79.05494	2.0
81.03410	1.0
81.07045	1.0
81.86540	0.3
82.04189	0.6
85.02900	1.7
91.05488	5.2
93.03384	1.0
93.07056	0.7
94.04205	0.4
95.04962	1.4
95.08616	0.7
97.02882	0.9
97.06506	1.0
99.04455	0.4
102.04691	0.4
103.05470	2.0
105.07043	0.6
106.04166	2.1
107.04956	1.9
107.08576	0.5
109.02900	0.5
109.06496	0.5
109.10156	0.5
110.03651	1.2
111.04441	0.9
115.04697	0.5
115.05460	5.9
116.06235	0.3
117.07021	8.3
119.04954	4.1
119.08588	0.5
121.06500	0.5
122.03632	0.8
123.04435	7.1
124.05221	2.6
125.05960	1.2
127.03904	0.3
127.05447	1.3
128.06180	0.5
129.06996	0.7
130.04161	0.4
131.04916	0.8
131.94357	0.3
133.02800	0.7
133.06514	0.5
134.03600	0.3
135.04395	1.4
135.11711	0.3
137.02412	0.3
137.05981	6.4
138.03088	0.5
142.02603	1.0
143.04933	0.8
144.05714	0.6
145.06494	11.0
147.04430	4.5
147.08046	0.8
147.11716	0.4
149.05965	0.5
151.03947	2.7
151.07532	0.9
152.04688	2.6
153.05478	2.6
155.04854	0.6
155.06033	6.5
159.04329	0.3
160.05186	0.3
161.06017	0.9
163.03908	3.0
163.07504	0.7
164.04305	0.9
165.05501	1.1
167.07047	100.0
171.06499	1.3
172.05252	0.3
173.05997	22.8
175.03920	0.4
175.07558	1.1
177.05605	0.3
179.07022	1.9
181.04964	32.9
190.06348	0.4
191.07030	1.6
193.08527	0.3
201.05452	0.8
203.07057	1.2
205.06813	0.5
205.08632	5.2
207.06459	0.4
213.13083	0.3
219.06599	0.6
220.07191	0.4
221.08003	0.3
231.06578	1.0
233.08076	5.0
235.07542	0.2
235.09648	5.0
250.06212	0.3
265.08664	0.5
288.08719	2.7
289.08960	1.9
297.11218	0.5
303.05002	0.5
304.05460	0.3
307.09900	0.4
310.08423	0.3
325.10712	0.9
327.12552	0.4
342.11093	0.4
353.10114	0.3
357.13367	2.8
369.13629	0.3
385.12820	18.1
386.13614	0.5
387.14407	5.9
411.14609	0.5
417.15463	12.1
453.53500	0.3
515.17657	0.3
583.21594	2.7
613.22833	50.3
614.22778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2284
Annotation	PROTOCHLOROPHYLLIDE
Peak:m/z	Relative Intensity
51.02367	0.3
51.18848	0.4
53.03937	0.6
55.01871	0.7
63.70877	0.3
65.03940	2.7
67.05487	1.4
69.03418	0.6
69.07065	0.3
71.52266	0.5
78.04717	3.1
78.16928	0.4
79.05508	1.6
81.03402	0.8
81.07037	1.0
82.04190	0.6
85.02931	1.7
91.05482	4.6
93.03388	1.1
93.07021	0.8
94.04173	0.6
95.04951	0.9
96.05730	0.4
97.02890	0.8
97.06524	0.6
103.05482	1.7
105.07078	0.7
106.04182	1.7
107.04967	1.9
107.08562	0.4
110.03667	1.6
111.04489	0.4
115.04733	0.3
115.05470	5.3
117.06231	0.6
117.07023	8.5
119.04944	4.5
119.08582	0.8
119.38900	0.3
121.06503	0.6
121.10123	0.6
122.03677	0.5
123.03597	0.4
123.04440	8.5
123.08060	0.5
123.11745	0.5
124.05214	2.4
125.05989	1.6
127.05435	1.3
129.07013	0.3
131.04893	0.9
133.02856	0.3
134.03574	0.4
135.04408	0.7
135.08063	0.8
135.11685	0.4
137.05984	5.6
138.03078	0.4
142.02634	0.8
143.04919	0.7
144.05617	0.6
145.04848	0.6
145.06497	12.7
147.04424	5.2
147.08026	0.6
149.05988	0.6
151.03963	2.2
151.04933	0.4
151.07567	0.9
152.04709	2.1
153.05486	3.3
155.04893	0.7
155.06049	6.3
155.07169	0.6
160.05203	0.4
161.05998	0.8
162.62758	0.3
165.05450	0.7
167.07047	100.0
168.07448	0.3
171.06567	1.1
173.05992	25.4
175.07556	1.1
177.12788	0.8
179.07059	1.1
181.04965	33.7
190.06242	0.6
191.07086	0.6
201.05502	0.9
203.07074	1.5
205.08635	5.5
207.06506	0.3
219.06488	0.8
220.07230	0.5
223.13231	0.5
231.06590	0.6
233.08110	4.9
235.09679	4.6
236.08171	0.4
265.08569	0.5
267.06500	0.4
278.14728	0.3
279.06555	0.3
280.07303	0.5
293.08044	0.6
297.11203	0.7
310.08420	0.4
325.10715	0.7
326.11594	0.4
334.34744	0.4
357.13354	3.3
385.12842	20.0
386.13132	0.7
387.14420	4.0
417.15479	11.9
532.69287	0.4
583.21643	3.1
604.75323	0.4
613.22827	57.5
614.23242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4828
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.73447	0.5
51.02380	0.7
52.46886	0.6
53.03936	1.6
55.01869	1.2
55.05280	0.9
55.05517	11.7
57.03441	3.7
57.07067	2.8
58.15177	0.7
65.03944	1.8
67.05509	40.7
69.07072	15.2
69.67499	1.8
69.67915	1.7
71.05015	0.7
71.08629	1.1
74.43456	0.6
79.05502	20.0
81.07062	42.0
83.04942	0.7
83.08618	7.1
85.06541	1.7
91.05487	16.2
93.07050	26.5
95.04971	1.4
95.08614	35.5
97.06535	2.2
97.10177	4.1
99.08127	1.0
105.04556	0.9
105.07037	19.4
107.08601	17.8
109.06525	1.1
109.10166	16.6
111.08074	1.5
111.11730	1.1
117.07027	7.4
119.08592	18.5
121.10153	16.6
121.11035	0.8
123.08041	1.2
123.11716	6.7
125.09644	0.8
128.06178	0.7
129.07024	2.5
131.08577	14.3
133.10147	16.3
135.08136	0.8
135.11700	12.6
137.13271	2.6
141.07040	0.9
143.08574	4.5
144.97948	0.7
145.10138	13.3
147.11690	10.3
149.13248	6.7
151.14861	0.8
155.08582	1.6
157.10130	4.5
159.11700	11.4
161.13287	7.3
163.14813	3.7
165.12764	0.7
169.10179	2.3
171.11710	4.8
172.12627	0.7
173.13269	7.9
175.14827	5.3
177.16415	1.7
181.10023	0.9
183.11748	1.9
185.13266	3.8
187.14850	5.3
189.16425	2.3
191.17926	0.6
197.13400	1.0
199.14894	3.6
201.16397	2.5
203.17972	1.9
211.15015	0.8
213.16476	1.8
215.17935	1.5
217.19608	1.3
225.16466	0.9
227.18010	1.1
229.19566	1.0
231.21104	1.4
241.19621	2.3
243.21143	2.2
245.22739	0.7
257.18985	1.0
259.20575	7.1
261.22137	7.7
263.23740	1.0
269.22821	0.7
273.22156	1.3
279.23181	1.0
281.21463	0.9
285.22104	1.2
287.23651	1.0
297.24533	0.8
299.23682	1.2
301.25232	0.7
309.24063	0.7
313.25079	0.6
315.23288	1.0
317.24942	1.7
323.26059	1.1
327.26883	0.9
333.24261	4.9
335.25812	13.3
337.27411	8.4
341.28592	1.0
347.26163	0.7
349.23630	0.7
355.30154	0.9
361.27661	0.8
363.29034	0.7
375.29480	0.7
415.32401	0.9
424.67346	0.6
429.33823	0.8
489.36105	1.5
503.36844	1.4
515.37195	0.7
517.39148	1.3
521.43622	4.4
529.39453	1.3
531.40594	0.9
539.44739	2.4
543.40527	1.7
557.42493	0.9
595.47211	11.2
613.48297	100.0
614.48682	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	613.4829
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03933	2.3
55.01866	1.2
55.05277	0.8
55.05516	12.7
57.03452	4.0
57.07070	2.5
65.03952	1.3
67.05511	37.8
68.40637	0.6
69.07072	13.1
69.80520	3.6
71.04993	1.5
71.08611	1.0
75.63505	0.6
79.05497	23.1
81.07063	43.4
83.04990	1.4
83.08630	7.6
83.94212	0.8
85.06542	1.8
91.05486	16.1
93.07048	26.6
95.04960	1.5
95.08614	33.7
97.06527	1.9
97.10184	3.9
99.08115	1.2
105.07040	18.9
107.08604	20.7
109.06485	1.1
109.10158	19.7
111.08099	2.4
111.11718	1.4
115.05643	0.7
117.07014	6.7
119.08595	18.1
121.10149	16.9
123.08106	1.3
123.11711	7.3
129.07004	3.7
131.08583	14.6
133.10136	14.2
135.08099	0.8
135.11703	11.1
137.13281	2.5
141.06943	0.7
143.08546	4.7
145.10126	12.7
147.11707	11.2
149.13266	6.8
151.14847	1.5
155.08546	2.5
157.10161	5.3
159.11714	12.2
161.13266	8.4
163.11284	0.9
163.14845	3.9
169.10172	2.3
171.11703	4.9
173.13295	8.8
175.14870	4.0
177.16393	1.3
179.18010	0.9
183.11713	2.3
185.13251	4.0
187.14833	4.9
189.16367	2.5
191.14334	1.1
197.13243	1.2
199.13208	0.7
199.14873	3.3
201.16435	4.0
203.18044	1.3
211.14726	1.2
213.16409	2.5
215.18053	1.1
217.19528	1.6
225.16487	1.0
227.18089	1.0
231.21159	1.4
233.18977	0.8
241.19611	3.0
243.21138	1.7
252.80276	0.7
255.21185	0.9
257.19049	0.9
259.20584	7.3
261.22186	9.0
263.23840	1.2
273.21964	0.9
275.23828	0.9
285.22229	0.8
287.23917	0.8
299.23489	1.6
301.25485	1.1
311.23584	0.9
313.25275	1.6
317.24872	1.7
319.22433	0.8
333.24280	4.9
335.25839	16.4
337.27396	8.6
345.01401	0.9
349.27338	1.3
355.30429	0.9
361.27414	0.9
369.31845	1.1
387.28928	0.9
475.34467	0.8
489.35947	1.5
503.36987	1.0
521.43756	4.4
529.38867	1.9
531.40527	0.9
539.44470	2.7
543.40387	1.6
577.46515	0.9
595.47211	11.4
613.48285	100.0
614.48627	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	614.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70361	0.3
55.05501	0.4
57.07082	5.3
58.06603	1.6
61.95276	0.2
64.53123	0.3
65.03920	0.7
68.05002	0.4
69.07064	0.4
70.00770	1.1
70.06598	15.1
71.08639	2.5
74.06068	0.7
74.50581	0.3
83.60247	0.3
85.10181	0.5
88.07638	18.4
96.60722	0.3
98.21579	0.4
102.09190	13.9
105.03368	0.5
105.07078	0.3
119.08634	0.4
121.02898	0.3
131.04910	0.5
147.04411	0.5
149.02354	33.1
175.03922	0.6
193.04979	43.6
194.05290	0.4
208.29607	0.3
212.23714	0.6
219.06532	0.8
225.05478	1.1
256.26370	37.8
269.04575	1.8
297.03961	2.3
313.07108	2.4
341.06564	8.7
359.07620	6.9
385.09198	41.2
386.09598	0.8
596.32147	0.7
614.33264	100.0
615.33655	2.2
640.87329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01871	5.6
55.05276	2.6
55.05513	29.4
57.03441	18.7
57.07076	4.9
65.03938	5.3
67.05506	73.3
69.03408	5.0
69.07072	23.3
70.06558	2.8
70.69954	4.4
70.70332	3.9
71.05005	5.2
71.08623	10.3
74.41516	2.6
79.05086	4.2
79.05496	59.8
81.03423	64.0
81.06599	4.6
81.07059	87.8
83.04991	24.6
83.08207	3.5
83.08630	30.8
85.02916	21.5
85.06545	7.1
91.05487	68.6
93.06487	5.1
93.07043	69.3
94.07230	2.4
95.04969	30.9
95.08619	37.9
97.02905	3.7
97.06525	12.2
97.10160	7.4
99.08102	15.9
100.11246	2.6
105.06396	4.2
105.07040	50.0
107.04970	8.9
107.08598	26.2
109.06523	12.8
109.10154	10.8
111.08097	13.6
113.06076	3.0
116.06222	2.8
117.06996	11.4
118.58780	2.3
119.08582	32.2
121.06464	3.9
121.10149	25.2
123.08074	3.4
123.11713	7.8
125.09608	4.8
129.07005	13.3
131.08589	26.2
133.06503	4.3
133.10138	28.0
135.11690	7.0
137.09639	4.4
142.07805	3.0
145.10124	8.9
147.08054	4.7
147.11670	22.1
149.05980	6.1
149.09598	9.4
149.13239	18.3
151.11189	24.3
157.10158	15.6
159.11743	8.3
161.13243	5.3
163.11191	10.9
165.12779	4.8
171.11714	3.5
175.11201	16.0
177.12685	5.8
179.14362	4.6
185.13255	2.8
189.11176	3.1
193.12260	46.5
195.13821	9.0
211.13293	67.8
221.15352	3.1
227.12820	4.2
233.45239	2.8
241.19386	2.9
259.20609	4.6
267.15878	27.1
269.17459	42.7
277.21533	9.0
285.16959	66.3
341.10126	3.6
351.25317	17.7
361.41998	2.3
363.44382	2.7
374.15341	2.4
383.33661	2.5
461.29044	33.6
463.30124	3.9
479.30090	100.0
539.19141	4.2
543.36536	7.4
561.38202	17.7
571.21948	4.5
614.36810	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.3
55.01870	9.2
55.05514	36.6
57.03442	20.0
57.07089	5.7
59.04964	3.2
65.03951	3.3
67.05511	81.5
69.03435	5.9
69.07075	28.0
69.50617	18.0
71.05003	11.3
71.08636	26.0
79.05499	76.8
81.03430	66.1
81.07062	100.0
83.04991	30.6
83.08629	34.8
85.02919	24.5
85.06559	8.4
91.05492	74.4
93.07055	70.2
95.04980	36.7
95.08620	37.0
97.06547	11.2
97.10163	16.9
99.08096	22.2
101.88354	2.5
105.04562	2.7
105.07043	51.2
107.04951	12.2
107.08598	32.5
109.06546	7.9
109.10153	11.1
111.04417	4.5
111.08080	14.3
113.06025	3.1
113.09671	4.1
117.07050	16.0
119.08589	38.5
121.06506	4.9
121.10178	24.1
123.08051	4.1
123.11714	3.5
125.09645	11.0
129.07034	18.5
131.08582	28.6
133.10133	26.4
135.08099	2.9
135.11703	10.8
137.09631	4.0
139.11119	2.7
142.07826	5.8
145.10161	11.2
147.08076	4.8
147.11681	21.6
149.06009	6.1
149.09647	8.4
149.13260	13.7
151.11188	31.5
157.10139	21.7
159.11719	9.9
161.13312	11.1
163.11250	17.3
163.14796	3.4
165.12755	7.4
171.11726	2.7
175.11209	18.4
177.12762	2.4
179.14345	11.3
185.13297	3.6
189.11226	6.7
193.12260	48.4
195.13911	6.7
199.49979	3.0
211.13307	81.6
211.15311	3.9
221.15378	3.8
227.12813	27.3
241.19537	4.9
259.20544	7.7
267.15988	30.9
269.17505	25.5
277.21664	25.0
285.16983	61.1
341.10321	4.2
351.25409	47.7
352.26337	2.9
383.24265	4.7
439.26645	4.2
443.28653	2.8
445.30472	2.9
455.26306	3.8
461.29089	28.8
463.30646	5.5
477.12051	2.7
479.30093	98.3
543.36627	9.0
561.38086	25.5
614.37103	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	614.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01875	2.8
55.05519	20.6
57.03436	16.6
57.07070	4.1
65.03939	2.1
67.05508	46.5
69.03419	3.0
69.07078	20.4
70.08802	7.0
71.05000	2.5
79.05495	22.4
81.03419	72.2
81.07060	52.6
83.04993	3.2
83.08624	21.7
85.06552	2.7
89.06019	2.5
91.05489	21.7
93.07050	19.8
94.00744	1.4
95.04969	19.9
95.08613	40.2
97.06534	4.7
97.10173	8.4
99.08144	1.5
100.13139	1.6
105.07031	13.7
107.04958	3.9
107.08588	11.5
109.06558	2.5
109.10159	14.1
111.08106	7.9
111.11697	1.5
117.07059	2.9
117.47047	1.6
119.08604	15.0
121.06490	2.3
121.10151	11.6
122.71779	1.5
123.08092	2.3
123.11715	5.7
125.09655	2.0
129.07008	9.8
131.08565	6.6
133.06445	1.7
133.10129	8.5
135.11691	5.0
137.09613	3.9
137.13274	3.0
145.10199	3.1
147.08105	3.6
147.11707	11.3
149.09641	3.8
149.13258	1.9
157.10089	8.9
159.11671	2.5
161.13292	3.2
162.00182	1.6
163.11198	2.0
168.61116	1.7
175.11217	5.5
175.14862	1.8
189.11203	2.3
193.12227	19.0
211.13290	1.7
215.17920	1.8
227.12819	3.6
245.22673	3.5
249.14882	1.7
263.23801	6.3
267.15930	100.0
303.26819	3.0
337.27380	91.8
338.27734	1.7
348.30264	1.7
423.45578	1.6
437.34125	3.2
455.35068	7.1
473.36383	2.4
529.38885	73.8
547.39978	30.0
582.27740	2.2
614.30579	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	615.499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.8
55.05518	16.9
55.06809	1.8
57.03433	5.1
57.07075	6.1
59.12412	1.6
67.05511	41.9
69.07082	21.4
70.87315	1.8
71.08639	3.1
79.05502	25.2
81.07065	48.0
83.08632	13.8
89.06049	2.2
91.05492	16.2
93.07056	27.5
95.08617	32.2
97.06546	2.9
97.10179	6.8
105.07031	15.1
107.08595	18.9
107.57947	1.8
109.10173	18.4
117.07045	5.1
118.81351	2.0
119.08612	15.9
121.10148	15.9
123.11715	6.7
129.07019	3.3
131.08591	9.0
133.08630	2.5
133.10149	15.9
135.11708	9.6
137.13295	4.6
140.46719	2.0
143.08580	2.2
145.10139	10.6
147.11714	7.2
149.13261	6.1
157.10217	3.7
159.11711	6.3
161.13310	7.8
163.14821	4.4
169.47089	2.1
171.11726	2.0
173.13310	5.8
175.14880	5.8
185.13287	3.3
187.14795	2.4
189.16460	2.6
199.14908	2.6
205.15944	1.9
227.94417	2.1
229.19572	2.1
243.21117	3.6
259.20547	4.1
261.22113	10.2
276.11871	2.4
317.24832	2.1
335.25757	10.8
337.27264	10.2
339.29105	3.9
429.76343	2.1
597.48883	9.9
605.68085	2.4
615.49835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
54.17096	1.3
55.05506	15.6
55.96079	1.4
57.03442	2.5
57.07066	5.0
65.03951	1.4
67.05181	2.5
67.05509	32.8
67.18936	1.4
69.07067	13.6
71.52460	1.9
74.03537	1.5
78.00099	1.4
79.05505	15.3
81.07059	36.4
83.04974	2.5
83.08628	11.5
84.84243	1.5
85.43014	1.5
89.06041	1.8
91.05478	10.7
93.07053	20.9
95.08611	32.6
97.06577	3.8
97.10190	4.3
105.07049	13.1
107.08594	12.5
109.10173	15.3
117.07052	4.0
119.08581	16.0
121.10148	13.8
123.07965	1.4
123.11733	4.4
131.08623	9.2
133.08601	2.0
133.10129	11.2
135.11699	11.0
137.13281	3.3
143.08592	2.3
145.10146	8.0
147.11714	7.7
149.13278	6.3
151.11259	1.9
159.11752	6.0
161.13284	6.0
163.14833	4.7
171.11778	4.2
173.13278	6.7
175.14848	3.8
177.16449	2.1
185.13326	2.3
187.14859	1.9
189.16467	2.0
201.16437	2.4
238.20129	1.7
259.20605	2.9
261.22131	3.0
263.23871	1.6
295.80981	1.8
335.25900	6.0
335.84479	1.7
337.27386	6.5
339.28891	2.4
459.24759	1.6
465.43405	1.6
491.37329	2.0
523.44983	5.6
541.46497	2.7
597.48468	8.3
615.49872	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	616.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77096	2.7
53.03941	6.8
53.81392	2.6
55.01855	3.0
55.05516	55.2
57.03446	16.9
57.07064	3.9
59.04995	5.9
65.03926	4.0
67.05510	100.0
69.03426	3.5
69.07071	33.7
71.04985	5.8
71.12675	5.7
79.05497	40.2
81.03414	4.4
81.07065	61.7
83.04986	7.5
83.08617	23.9
85.02903	14.1
85.06538	9.6
87.04479	8.4
91.05488	23.1
93.07049	33.0
95.04978	7.1
95.08615	52.5
97.06507	4.0
97.10162	23.2
105.07043	27.3
107.04937	3.9
107.08617	27.4
109.06519	9.5
109.10157	52.7
110.10493	3.5
117.07034	5.7
119.08595	21.9
120.08909	5.4
121.10153	16.3
122.10428	4.1
123.08063	12.1
123.11700	10.0
125.09624	25.3
131.08556	5.4
133.10147	16.6
134.10429	4.6
135.08150	3.1
135.11682	6.9
137.09639	4.3
137.13269	3.3
143.10620	6.1
145.10143	12.8
147.11676	8.2
149.09601	3.2
155.10667	3.3
157.10149	8.6
159.11717	6.5
161.13237	6.5
163.11180	7.7
165.09184	2.6
171.11725	6.0
173.11751	11.9
174.13585	3.9
175.14789	5.2
176.15225	3.1
181.12091	3.1
183.11696	3.0
187.14743	3.8
199.13263	15.7
207.13817	3.8
219.17320	3.3
221.15399	6.3
227.12880	4.3
229.14310	38.9
232.40408	2.9
263.23810	6.4
270.19839	2.7
301.16409	15.3
337.27374	85.7
435.28952	3.6
471.65683	3.3
479.37204	12.1
491.37482	19.4
563.39227	5.4
584.41632	3.9
616.44061	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	617.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
55.05496	0.4
57.03936	0.3
67.05513	0.9
69.03429	0.7
69.07073	0.6
71.03165	0.5
75.78123	0.2
76.38014	0.3
79.05501	0.8
81.03413	0.6
81.07045	1.4
83.04998	0.3
85.02924	1.0
91.05499	0.7
93.07036	1.5
95.04980	0.4
95.08610	1.4
97.02905	0.3
97.06510	0.3
99.04406	0.3
105.07037	1.0
107.04987	0.4
107.08608	1.0
109.02889	0.3
109.06522	0.5
109.10179	0.7
109.96832	0.3
119.08613	0.8
121.06522	0.4
121.10161	1.2
123.11710	0.4
127.03954	0.4
131.08630	0.5
133.10129	0.6
135.08131	0.4
135.11688	0.5
137.05978	0.6
145.10103	0.5
157.10110	0.4
159.11720	0.4
161.09758	0.3
163.03885	0.3
163.11197	0.3
163.77608	0.3
165.09216	0.4
173.13251	0.3
185.04274	0.3
185.09731	0.2
199.14804	0.4
201.16487	0.4
227.05200	0.3
245.06418	0.8
289.05215	1.4
351.28696	0.6
369.29694	2.9
381.18784	0.3
411.30292	0.4
483.32574	0.5
513.33923	2.0
525.34247	0.8
531.34882	4.5
537.34088	0.4
555.35126	2.7
569.33185	0.5
573.36090	16.7
595.87659	0.3
599.34149	4.0
617.35101	100.0
618.35150	1.6
643.26721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93539	2.0
58.81076	2.4
65.03961	2.8
67.05495	7.2
71.01344	2.9
71.50246	2.3
71.51876	2.9
79.05487	5.0
81.07053	5.4
85.02924	4.0
88.44601	2.1
91.05479	16.7
93.07030	9.1
95.04966	4.7
103.05466	4.4
109.06522	3.0
119.04945	42.6
121.06535	12.3
123.04403	2.8
134.84964	2.3
137.05994	17.2
147.04405	35.6
149.05965	6.9
165.05496	28.2
167.07054	5.7
175.03905	7.3
183.06552	24.0
193.04951	13.6
211.06029	60.2
221.94601	2.3
228.58188	2.5
229.07097	100.0
609.16034	3.1
620.64856	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	619.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.4
56.96410	1.3
57.07062	2.2
65.03937	2.2
67.05511	9.2
69.07059	7.1
69.22903	14.4
79.05479	7.4
81.07059	17.4
83.08631	9.3
87.04446	8.6
91.05481	20.1
93.07050	14.2
95.04961	2.4
95.08613	29.1
97.10150	1.9
105.07035	20.1
105.50416	1.5
107.08592	26.8
109.10166	15.3
117.07066	2.7
119.04944	29.5
119.08581	32.4
119.48588	1.5
121.10149	23.8
123.04424	1.6
123.11700	12.8
130.52266	1.4
131.08548	7.1
131.61417	1.4
133.10132	25.4
135.11703	16.2
137.13283	1.9
143.08575	4.3
145.10124	14.1
147.04414	100.0
147.11679	17.4
149.13289	8.5
151.86638	1.5
157.10123	4.6
159.11700	12.5
161.13263	10.4
163.14799	5.5
164.91106	1.8
165.05472	20.6
165.09113	1.7
171.11697	4.3
173.13300	7.4
175.14856	14.4
177.09154	3.1
177.16391	16.1
185.13321	2.4
187.14784	6.6
189.16385	24.7
191.17953	6.1
192.16183	1.7
199.14679	2.0
201.16412	20.7
203.17972	30.4
205.15852	8.1
207.17413	4.9
213.16351	6.4
215.17966	21.3
217.19585	2.7
221.15526	2.2
221.18962	1.5
227.18036	1.8
229.15907	1.6
229.19443	2.9
235.16879	4.7
241.19542	2.9
247.17007	8.5
249.18495	4.0
255.21065	3.8
261.18494	17.7
391.33783	7.7
394.28680	2.8
409.34650	12.5
411.32443	10.4
413.17633	1.8
414.18292	2.7
415.19293	3.5
428.20044	2.9
429.20602	2.7
430.21896	1.7
437.34177	43.1
457.20813	3.4
467.56161	1.5
471.21860	3.6
472.22385	2.5
473.19870	2.5
486.19971	3.0
499.21170	2.5
503.23935	1.8
531.23907	3.4
559.23486	44.3
560.23450	1.8
587.22565	6.6
619.25604	24.4
619.42981	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	619.3999
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
53.03940	0.7
55.05518	4.4
57.07069	2.7
65.03934	1.4
67.05508	6.2
67.27135	0.5
68.73316	0.4
69.07072	6.5
70.63436	0.8
70.63783	1.1
77.03912	0.5
79.05506	3.9
81.07064	11.4
83.08632	6.1
87.04482	5.1
88.04806	1.2
91.05491	15.5
93.07049	10.5
95.04977	0.6
95.08615	22.2
97.10168	0.8
105.07042	12.5
107.08607	18.8
109.10168	11.1
111.11705	0.7
117.07034	1.6
119.04955	22.9
119.08594	24.9
121.10161	17.8
123.04488	0.8
123.08076	0.6
123.11720	8.4
125.09570	0.5
128.06262	0.6
129.06996	0.9
131.08575	4.6
133.10139	18.4
135.11710	9.9
137.13266	2.3
143.08571	2.3
145.10126	10.6
147.04422	100.0
147.11696	13.4
149.13274	8.0
151.14790	0.8
153.09105	1.8
157.10161	1.8
158.10925	1.4
159.11707	9.7
161.13263	8.1
163.14832	5.6
165.05493	28.7
165.12576	0.5
171.11690	1.8
173.13303	5.6
175.14832	11.9
176.77713	0.5
177.09103	0.7
177.16389	11.7
183.11711	1.3
185.13274	1.3
187.14847	5.0
189.16402	23.1
191.17975	5.0
199.14835	2.0
201.16399	21.9
202.16846	0.5
203.17976	27.3
205.15918	1.9
205.19572	1.1
207.17471	5.6
211.14859	0.9
213.16411	7.7
215.17973	18.2
217.19621	3.0
219.17413	1.4
221.15308	0.9
221.18802	0.6
225.16528	0.8
227.18007	1.5
229.19482	3.1
231.17418	0.7
233.15318	1.1
235.17021	2.6
237.21590	0.5
239.18042	1.0
241.19571	3.9
243.21089	2.8
247.16940	4.4
249.18510	2.4
253.19637	1.3
255.21097	2.6
257.22620	0.7
259.17041	2.6
261.18518	6.3
267.21176	1.5
269.22668	1.9
287.20023	0.8
289.21616	0.6
299.20129	0.9
301.21637	1.1
311.26352	0.6
313.21970	0.7
315.23215	0.9
335.27322	0.8
343.26624	0.6
346.51553	0.5
348.28400	0.6
355.26501	0.6
365.32089	0.7
383.29865	0.5
391.33624	7.6
394.28690	0.8
404.97284	0.5
409.34665	13.0
411.32523	8.1
411.37399	0.7
419.33167	0.9
427.35620	0.8
437.34186	32.8
455.35056	1.0
559.23444	1.0
559.93616	0.5
619.42657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.6
56.58209	1.2
57.07064	2.2
58.67966	1.4
63.08722	1.5
65.03918	1.8
67.05511	6.6
69.07082	7.8
69.22736	4.4
69.23156	8.3
79.05488	2.8
81.07058	15.5
83.08622	7.4
91.05475	18.0
93.07043	12.7
93.21305	1.2
95.07990	1.6
95.08606	30.4
97.10125	2.0
105.06391	1.8
105.07029	16.2
107.08592	20.3
109.10149	12.6
117.07004	2.7
119.04945	30.6
119.08577	27.7
121.10139	21.1
123.11693	8.9
125.34301	1.4
129.07063	1.6
131.08537	6.2
133.10129	20.7
135.11700	14.4
137.13254	4.5
138.06270	1.5
143.08498	2.6
145.10129	11.4
147.04411	100.0
147.11676	15.2
149.13257	15.1
153.09064	2.4
157.10081	4.5
159.11743	8.4
161.13293	9.6
163.14778	7.7
165.05479	22.4
171.11649	3.8
173.13263	5.7
174.13902	1.3
175.14830	16.1
177.16411	17.7
184.74344	1.3
185.13164	3.1
187.14827	5.2
189.16376	25.4
191.17896	5.4
196.00639	1.3
199.14857	3.0
201.14603	2.0
201.16391	24.7
201.68726	1.3
203.16049	2.0
203.17963	37.1
205.15926	3.0
207.17426	6.1
213.16364	7.9
215.17973	14.4
217.19469	4.5
227.17888	2.4
229.19498	3.4
235.16830	1.7
239.17992	2.8
241.19537	5.7
243.21138	2.8
247.16963	2.8
249.18495	3.3
253.19447	2.7
255.21011	2.9
259.16943	4.6
261.18481	6.1
267.20926	1.7
284.17810	1.5
380.37769	1.6
391.33688	11.2
393.34982	1.4
409.34750	15.6
411.32727	8.1
437.34158	35.7
455.35291	2.0
559.23297	6.2
597.82550	1.7
619.24939	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	619.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
53.90313	0.6
55.05513	3.2
57.01873	0.6
57.07063	1.9
65.03932	1.5
67.05511	4.6
69.07068	6.1
79.05502	4.2
81.07050	11.7
82.90722	0.6
83.08614	6.9
87.04462	2.6
91.05483	14.4
93.07055	9.8
95.08612	23.0
97.10174	1.1
105.07045	13.2
107.08598	20.7
109.10159	11.0
113.90040	0.7
117.07004	1.1
119.04948	25.5
119.08591	23.8
121.10150	18.9
123.11713	8.6
129.07001	1.2
131.08556	4.5
133.10135	17.2
135.08092	1.1
135.11699	11.5
137.13263	2.3
143.08556	2.8
145.10136	9.3
147.04416	100.0
147.11690	13.7
149.13264	8.1
151.07518	0.8
151.14856	0.7
153.09132	1.7
157.10135	1.9
159.11690	9.3
161.13264	8.4
163.07564	0.8
163.11179	0.8
163.14850	5.6
165.05479	28.1
165.12766	0.8
171.11685	2.0
173.13284	4.7
175.14822	9.3
177.09126	1.3
177.16403	12.6
183.11719	0.9
185.13210	1.0
187.14796	4.4
189.16391	21.0
191.17960	5.1
197.13203	1.1
199.14847	2.3
201.16402	13.4
203.17957	28.7
205.15816	4.1
207.13861	0.6
207.17506	3.3
213.16383	4.6
215.17969	15.6
217.19499	2.0
219.17549	0.8
221.15242	1.3
221.18932	1.3
225.16420	0.9
227.18011	1.4
227.32289	0.7
229.15881	1.3
229.19560	1.6
233.15147	0.7
235.16963	2.9
241.19537	1.7
243.21138	2.0
247.16997	6.6
249.18527	2.4
253.19560	1.1
255.21069	1.0
259.16959	1.5
260.20746	0.6
261.18515	11.6
267.21130	1.0
269.22760	1.2
287.19943	1.6
289.21689	1.0
295.24365	1.9
299.20151	1.1
301.21454	1.2
313.21710	1.4
313.25235	1.1
315.23022	1.2
329.24823	0.7
355.26385	1.2
391.33609	7.9
394.28665	1.2
409.34634	9.4
411.32593	8.8
437.34152	33.5
455.35172	1.0
505.89423	0.7
559.23395	2.2
619.43195	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	619.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05514	5.6
57.07079	2.6
65.03945	2.2
67.05518	8.3
69.07072	7.6
69.98208	5.0
79.05494	4.8
81.07059	18.0
83.08624	7.9
84.51530	1.3
86.56992	1.3
87.86102	1.1
91.05489	19.1
93.07047	13.2
95.04985	4.9
95.08612	29.9
97.10149	1.6
104.80386	1.3
105.07034	18.1
107.04967	20.2
107.08607	27.9
109.06560	2.0
109.10168	15.1
111.08147	1.7
117.07007	2.2
118.97071	1.2
119.04955	23.2
119.08587	35.6
121.06535	1.8
121.10154	23.6
123.04442	16.4
123.11714	9.6
125.09657	1.3
129.07056	1.7
131.08542	6.3
133.10146	20.8
135.08141	1.1
135.11707	13.6
137.13280	3.9
143.08574	6.2
145.10146	16.9
147.04425	100.0
147.11711	18.6
149.13295	10.7
153.09137	2.0
157.10149	4.8
159.11674	13.6
161.13266	10.8
163.07585	1.7
163.11104	1.7
163.14850	6.1
165.05495	43.0
165.06906	2.4
165.12939	1.3
169.10143	2.1
171.11761	2.6
173.13298	6.3
175.14856	16.6
177.09198	2.0
177.16405	14.5
185.13319	2.9
187.14801	10.6
189.16391	23.4
191.17976	5.3
199.14847	2.9
201.16405	18.9
203.17969	25.0
205.15898	7.1
205.19427	1.4
207.17458	4.1
213.16365	7.8
215.17976	21.1
217.15997	2.0
217.19408	2.0
219.17520	6.0
227.18027	2.3
229.19618	2.4
235.16969	4.2
241.19556	2.7
243.21085	1.7
247.17023	9.8
249.18571	2.1
255.21306	1.3
261.18512	14.4
267.21091	1.5
295.24207	2.8
299.19800	2.0
313.21411	1.4
317.20767	1.6
391.33633	8.1
394.90848	1.4
407.33063	7.5
409.34528	11.9
411.32495	10.2
435.32822	6.4
437.34183	38.0
453.34082	1.4
484.91422	1.3
619.38092	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	619.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.6
56.96521	0.5
57.03433	1.7
57.07072	1.2
59.39352	0.5
60.05666	0.5
60.55787	0.6
67.05508	5.9
69.07077	3.1
69.20229	4.9
71.08643	0.6
79.05494	2.1
81.07052	4.2
83.08624	2.1
85.02868	0.7
87.04467	2.9
89.88138	0.5
90.68073	0.5
90.93607	0.5
91.05484	1.1
93.07049	1.8
95.08607	3.4
97.06517	0.9
97.10180	1.1
98.98460	1.0
102.35420	0.4
105.07016	0.8
107.04939	0.4
107.08595	1.2
107.74074	0.5
109.10182	2.2
110.22866	0.6
119.08595	0.7
121.06521	0.5
121.10191	1.2
125.09593	0.5
133.10219	1.0
135.08009	0.4
135.11736	0.4
163.62717	0.4
183.80212	0.5
207.67618	0.5
211.13268	1.1
227.13062	0.5
229.14404	0.7
283.15149	11.2
289.18045	0.7
311.25787	0.6
313.27359	0.6
337.27356	0.9
339.17850	2.9
339.28848	0.6
340.29340	1.7
439.20023	0.5
601.44476	0.6
619.41840	100.0
620.42371	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.3
55.01841	2.1
55.05523	5.2
57.03422	0.9
57.07057	3.0
61.02901	0.9
67.05512	6.6
69.03441	5.3
69.07077	12.1
69.15838	0.7
71.04990	3.1
71.08609	1.6
79.05502	4.3
81.03428	4.6
81.07066	21.9
82.19932	0.6
83.04961	1.8
83.08630	11.7
85.02461	0.7
85.02914	8.9
85.06510	1.7
87.00846	4.2
90.77092	0.7
91.03992	0.6
91.05452	3.1
92.59498	0.7
93.07059	13.6
95.04938	2.4
95.08618	17.2
97.02909	4.0
97.06525	2.9
97.10149	2.6
99.03870	0.8
99.04463	12.4
99.08079	1.6
101.06062	0.9
105.01830	2.2
105.07042	6.0
107.07883	1.1
107.08596	16.6
109.02888	3.2
109.06521	6.1
109.10175	12.0
111.08105	3.7
117.05479	2.2
119.08615	5.6
121.06499	1.5
121.09360	0.8
121.10157	7.5
123.08082	3.5
123.11703	7.2
125.09639	1.0
125.13275	0.6
127.03916	4.9
127.07587	4.5
131.08525	0.9
133.10143	13.1
135.08134	0.9
135.11719	10.4
137.13240	3.0
145.05040	1.1
145.10083	2.1
147.11674	4.8
149.09666	1.5
149.13268	9.7
151.07538	0.8
151.09979	1.4
151.11203	28.6
151.14764	1.2
153.09090	1.2
153.12744	1.5
157.10080	1.6
159.02869	1.7
159.11690	1.9
161.09692	1.3
161.13235	3.2
163.03897	0.7
163.11197	2.6
163.14862	1.5
165.12770	0.9
165.16310	1.1
167.14311	3.4
171.11676	1.2
173.13216	1.4
175.14862	1.8
177.12793	3.3
177.16437	1.3
179.10663	6.7
179.17873	1.5
181.12245	2.4
189.12811	3.3
189.16374	1.9
191.17909	1.4
193.12292	2.1
195.13808	2.0
199.14859	0.9
201.16412	0.9
203.17981	3.1
205.15637	0.8
205.19449	1.0
207.13792	6.6
209.19011	1.6
217.15973	0.7
221.19005	1.1
227.17996	1.1
239.54974	0.7
249.18636	0.8
259.24219	1.5
264.28229	0.7
266.81021	0.6
283.21451	0.7
283.24124	3.6
301.25275	3.1
319.26367	18.9
337.27399	99.1
338.27783	2.1
355.28461	100.0
356.28702	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37402	0.2
52.62368	0.2
53.03935	0.4
55.01852	0.5
55.05518	2.8
57.03433	0.4
57.07082	2.4
59.05000	0.4
60.75832	0.3
67.05514	3.6
68.76942	0.3
69.03413	1.0
69.07071	8.3
71.04999	1.6
71.08619	1.1
71.52523	0.4
79.05492	3.2
81.03413	1.1
81.07057	14.1
83.04972	1.3
83.08160	0.4
83.08622	6.2
85.02923	1.4
85.06543	1.3
85.10169	0.4
87.00819	0.6
91.05476	2.5
92.05738	0.3
93.07044	8.5
95.04951	2.0
95.08608	12.2
97.02860	0.8
97.06533	2.3
97.10176	1.8
99.04449	4.6
100.07537	0.3
105.01866	0.4
105.07031	4.7
107.08595	10.0
107.09314	0.6
108.86386	0.3
109.02882	0.8
109.06522	4.6
109.10162	8.8
111.08100	1.5
111.11670	0.7
117.05467	0.8
117.07019	0.4
119.08582	3.2
121.06467	0.5
121.10139	6.1
123.08073	2.8
123.11707	4.9
125.09657	0.6
127.03912	0.9
127.07555	3.0
129.06943	0.6
131.08539	1.0
133.10133	8.9
135.08066	0.5
135.11691	6.0
137.05992	0.4
137.09630	0.6
137.13271	1.5
141.78398	0.3
143.08522	0.6
145.04944	0.3
145.10143	2.0
147.11678	4.0
147.53046	0.3
149.09642	0.8
149.13280	5.0
151.07529	0.4
151.11182	20.0
151.14745	0.6
153.09128	0.4
153.12753	0.7
157.10088	0.5
159.11696	1.3
161.09636	0.8
161.13197	2.0
163.11168	1.6
163.14827	1.0
165.09108	0.9
165.12775	0.7
165.16362	0.8
167.10674	0.7
167.14308	1.2
169.12248	0.6
171.11717	1.1
173.13263	0.9
175.11209	0.9
175.14810	0.7
177.12756	1.4
177.16364	1.2
179.10677	3.8
179.14275	0.5
179.18013	0.5
181.03194	0.3
181.12279	1.6
185.13205	0.5
187.14737	0.4
189.12724	2.0
189.16350	0.6
191.17975	0.5
193.12306	1.7
195.13857	1.3
199.14867	0.5
201.16336	0.4
203.14365	0.3
203.17967	1.1
205.19565	1.1
207.13779	3.9
209.18988	1.0
213.16368	0.6
217.19438	0.4
221.19064	0.5
223.16936	0.3
227.18013	0.5
235.17033	0.3
241.19350	0.3
249.18445	0.3
259.24228	0.9
263.19891	0.7
273.25699	0.8
283.24155	1.8
291.26810	0.5
293.96582	0.3
298.86993	0.3
301.25266	1.7
319.26303	13.7
337.27365	100.0
338.27722	0.9
354.30090	0.3
400.10880	0.3
427.28162	0.4
620.23895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59148	6.7
55.05507	19.1
55.15546	6.1
60.21646	6.8
67.05504	55.9
69.07091	13.5
69.79508	31.0
76.76096	6.2
79.05495	61.2
81.07058	47.5
83.04973	6.7
83.08628	11.0
84.04497	16.3
87.04487	7.5
91.05478	73.9
93.07048	67.6
93.94693	6.4
95.04974	19.1
95.08619	30.8
97.10186	7.5
98.20907	8.1
105.07045	52.6
107.08580	26.9
109.06461	7.0
109.10188	10.7
117.07027	10.2
117.70486	7.4
119.08590	53.1
121.10142	21.5
129.07011	21.7
131.08556	22.8
133.10123	28.4
135.11713	14.4
143.08571	15.1
144.06573	23.2
145.10139	19.5
147.04410	21.9
147.11719	56.6
148.87856	6.3
159.11729	15.4
161.09578	8.6
161.13257	34.0
163.14803	6.8
171.11745	34.3
175.14818	15.3
186.33281	6.9
189.12727	7.5
207.13791	24.9
231.21118	14.4
233.81635	6.4
239.51553	6.6
241.19482	37.4
259.20578	81.0
279.15979	14.5
281.17484	100.0
315.23376	10.0
333.24231	60.7
376.37076	7.4
377.08618	8.7
466.10712	6.7
530.35040	8.4
534.19788	9.2
539.37286	70.6
557.38330	23.4
610.35809	7.5
621.26886	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	621.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	8.8
61.02917	0.6
69.03444	2.1
71.08099	1.0
73.02937	0.8
79.05495	1.0
81.03434	1.1
84.96056	2.7
85.02896	3.8
97.02898	3.3
98.97588	34.8
107.04987	0.6
110.97569	0.8
116.98624	9.4
121.06564	0.9
123.01188	0.8
124.99155	0.7
125.02376	1.2
127.03931	1.4
128.98631	1.8
132.99593	0.7
134.99701	1.9
137.05966	2.6
143.00217	0.8
143.03421	1.0
145.04932	0.7
147.01196	0.7
151.00731	1.4
157.01788	0.8
158.99677	14.5
159.01120	1.0
160.99100	0.8
163.03979	0.9
167.00188	0.6
167.07056	3.0
169.01732	0.8
170.99677	1.4
175.02737	0.6
177.00731	9.0
177.02293	6.9
177.05479	1.6
179.00215	2.3
179.03882	1.2
180.98112	1.3
181.01782	0.8
182.99782	0.9
187.02815	0.7
189.00700	1.1
195.03294	7.8
197.01228	4.5
197.04823	1.3
198.99228	1.3
199.02844	0.8
201.00735	3.2
203.00128	0.8
205.01794	2.2
211.02849	0.6
213.04375	0.9
215.02274	1.4
219.01736	6.3
221.01241	3.5
222.99261	0.6
223.02788	7.3
223.05086	0.7
225.06197	1.0
229.03938	0.6
233.03377	1.0
237.02802	3.6
239.02277	7.2
241.00240	0.8
241.03850	6.7
244.04372	1.8
249.00487	3.6
254.06844	0.6
254.09169	1.2
257.03372	2.5
259.06723	1.3
259.56497	0.8
260.06915	0.8
265.00192	2.8
265.03833	1.8
267.01721	6.1
267.07001	0.8
283.01279	5.9
283.04929	2.2
285.02817	61.0
286.03580	0.6
301.02182	0.7
302.29657	0.6
303.03879	83.1
307.04962	0.8
308.04532	1.2
309.02765	16.4
319.07114	1.5
321.04849	0.9
325.05878	1.2
326.05511	1.5
327.03882	100.0
337.08063	0.9
345.04941	18.1
350.05539	2.7
351.09247	0.8
361.04529	1.0
367.03381	0.9
369.04929	24.0
385.04282	1.0
387.06049	7.6
408.11856	4.5
408.61465	0.7
417.12177	1.6
417.62692	0.7
426.12753	0.7
429.07108	40.9
429.12100	1.7
447.08121	54.9
470.09576	2.5
505.08685	0.9
511.11087	0.7
545.11621	11.6
545.19250	0.8
621.13068	20.2
646.68939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	8.0
56.96813	0.6
57.03395	0.5
61.02897	0.6
69.03380	1.4
69.52805	0.6
69.53216	1.9
71.04949	1.0
73.02876	0.8
79.05431	0.8
81.03365	0.8
81.07017	0.4
84.96037	3.4
85.02913	4.7
87.04409	0.5
91.05435	0.6
95.04933	0.5
97.02908	1.8
98.97591	31.9
98.98190	1.1
101.00848	0.6
103.00580	0.5
105.00125	0.6
105.07019	0.6
107.04919	0.6
107.08556	0.4
109.02850	0.8
109.06464	0.4
110.97579	1.7
112.99113	0.5
116.98623	8.9
119.01842	0.8
119.04939	0.7
121.01609	1.0
121.06516	0.3
123.01206	0.8
127.00657	0.4
127.03866	1.4
128.98615	2.3
131.00157	0.4
131.01819	0.4
131.04938	0.4
132.99583	0.8
134.99649	1.8
137.05945	2.4
140.98538	0.7
143.00125	1.0
143.01848	1.0
144.98080	0.4
145.01593	1.5
145.03413	0.3
145.04936	1.2
146.99644	0.9
147.01138	0.7
147.03172	0.5
147.04346	1.0
149.05969	0.3
151.00620	1.4
153.02191	0.8
157.01469	0.4
158.99673	13.9
159.01044	0.8
160.99138	0.6
161.01263	0.7
161.02798	1.2
162.98988	0.3
163.00613	0.4
163.02612	1.1
163.03899	1.4
163.06018	0.4
165.02185	0.8
165.05469	0.8
167.00096	0.3
167.07036	0.5
169.01686	1.3
170.78864	0.3
170.99622	1.5
171.03267	0.4
172.05388	0.4
173.01204	0.7
173.02789	0.5
177.00655	9.6
177.02206	6.6
179.00156	2.8
179.03729	1.1
181.01692	1.1
185.01228	0.6
187.00758	0.4
187.02751	0.6
189.00739	0.9
191.02184	0.5
193.00182	0.6
193.01772	0.6
193.05006	2.4
195.01883	0.4
195.03308	8.2
196.05180	0.5
197.01256	4.0
197.04787	1.1
199.02765	0.4
199.08044	0.4
201.00668	1.3
201.04346	0.7
203.00266	0.6
203.02185	0.6
203.03958	0.7
205.01707	2.2
205.03654	0.9
207.05054	0.5
209.01128	0.4
209.04744	1.2
211.02768	0.6
211.06104	0.6
213.04391	1.7
215.02251	2.9
215.05815	0.4
219.01823	4.7
221.01285	3.4
221.04907	0.9
222.01419	0.4
223.00758	0.6
223.02809	8.5
223.04848	1.3
225.04239	1.1
227.02306	0.4
227.05800	0.7
229.03790	0.6
231.01682	0.5
233.03250	0.5
237.02661	2.8
239.02266	6.3
241.03787	5.2
241.05734	0.5
243.01654	0.4
249.00609	4.6
253.03865	1.9
254.06238	0.4
254.09001	0.7
257.03372	2.9
259.04922	1.2
264.07571	0.4
265.00275	2.5
265.03714	1.8
267.01749	7.9
269.07254	0.4
271.04831	0.5
273.02771	0.4
283.01236	5.8
283.04880	1.5
285.02829	65.5
286.03494	0.5
293.05170	0.9
294.05347	0.7
295.04858	3.4
299.04517	0.5
301.02313	0.7
301.05978	0.5
303.03885	83.0
305.04236	0.5
308.04437	1.5
309.02768	15.3
311.06088	2.7
312.06171	2.3
313.05975	10.2
317.05600	0.5
321.04929	1.1
326.05524	0.9
327.03894	100.0
328.04401	1.0
329.07520	0.6
330.07516	0.4
331.06931	1.6
341.05408	0.8
345.04941	15.8
349.05991	0.5
350.05539	3.2
350.29291	0.4
353.07410	1.5
354.07593	1.2
355.07144	7.7
361.12967	1.1
367.06812	0.4
369.04938	24.6
371.10229	0.7
373.08203	1.1
379.12738	0.6
385.08136	0.5
387.06006	7.6
387.11096	0.5
397.08185	0.5
410.07617	0.8
413.08646	0.7
414.09521	0.7
415.09421	4.5
426.12741	0.8
429.07068	42.4
431.10226	0.5
433.10403	3.4
441.08743	1.3
447.08112	47.9
450.12668	0.4
457.06296	0.5
470.09592	3.9
505.08682	1.0
545.11743	10.6
545.19513	1.5
603.09210	1.0
621.13434	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	621.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.3
53.80415	2.3
55.01881	4.6
61.02922	4.9
63.97687	2.2
68.77920	2.3
69.03444	13.1
69.16805	3.0
69.17202	24.3
71.04996	3.0
73.02931	2.6
81.03410	15.3
85.02904	28.9
87.00846	11.8
91.05482	3.5
94.04221	2.6
97.02899	19.6
98.20819	5.3
99.04452	4.1
105.01870	6.9
107.04959	6.8
109.02862	11.8
115.03925	5.1
115.05470	4.0
116.86776	2.6
122.03646	4.7
125.05994	2.5
127.03912	20.8
129.06982	3.8
131.04927	4.1
135.38510	2.9
136.05244	3.3
137.05986	100.0
138.06357	3.3
141.60620	2.4
143.04898	5.9
145.04955	8.2
151.07552	72.4
157.06514	3.7
158.07306	4.8
159.02914	7.4
159.04431	2.5
160.05183	7.3
161.04510	3.3
163.03976	3.4
163.07552	5.1
165.05537	3.1
165.09090	7.2
166.28256	2.3
172.05263	3.3
174.06795	20.1
175.07541	49.2
177.09058	3.0
179.06949	2.9
187.07545	24.9
188.08351	4.3
189.09106	55.0
201.09094	27.5
203.10661	7.6
205.08670	8.0
209.62875	2.3
217.08524	2.9
219.10176	12.6
231.10284	8.2
233.11621	4.1
235.09764	3.7
239.07202	3.0
241.08603	4.7
247.07550	2.5
249.11339	4.8
254.09406	6.8
262.09900	3.5
263.10529	2.3
269.08124	5.7
274.09665	3.0
284.10443	14.6
285.11246	17.8
291.10226	7.1
297.10837	3.5
305.11636	7.1
306.12628	3.9
309.11407	2.9
322.12051	5.7
323.12762	3.1
325.14398	6.5
337.14380	31.2
339.15884	5.7
355.15390	26.7
468.46609	2.7
621.20850	6.7
636.64441	2.4
643.15118	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	621.2712
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.15845	0.2
55.97985	0.2
67.05525	0.3
70.57200	0.8
73.99195	0.3
81.07054	0.4
91.05509	0.4
131.08551	0.3
134.73370	0.3
146.02138	0.2
193.07747	0.3
204.06558	0.4
221.10779	0.3
234.05281	0.3
272.09534	0.3
323.14188	0.3
364.54572	0.3
374.15335	0.3
375.16251	0.7
387.16385	0.5
388.17056	1.1
389.17596	3.0
390.18546	1.1
391.19327	0.7
401.13303	0.4
401.17865	1.1
402.14294	0.5
402.18689	0.9
402.87805	0.3
403.19492	4.2
404.20142	1.8
405.20767	2.5
415.19418	1.0
416.16473	1.0
416.20789	0.5
417.17105	3.4
417.21094	2.7
418.17435	0.6
418.22226	0.5
419.22418	6.4
420.22928	0.4
429.21384	0.4
430.17853	1.1
431.18240	6.4
432.19122	2.3
433.19949	2.3
433.74475	0.3
443.18823	0.3
444.19574	0.5
445.20203	6.5
446.21008	6.0
447.21808	8.5
459.17242	0.7
459.21869	2.3
460.18237	0.5
461.19739	1.7
463.21265	0.4
473.19101	0.8
473.23761	1.4
474.20245	5.3
475.21375	7.4
487.21573	3.1
488.22107	0.6
490.23761	0.4
491.20236	1.5
501.23022	2.0
502.23532	0.5
503.20358	0.5
505.25757	1.1
506.23590	0.4
517.22412	0.3
518.23016	0.5
519.20026	0.6
529.22430	0.7
533.25562	16.2
534.26086	0.4
546.22467	0.6
561.24963	24.4
562.25635	0.5
565.27893	0.4
589.24054	1.3
593.27600	3.8
621.27106	100.0
622.27618	1.8
647.02667	0.3
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	Methyl pheophorbide b
Peak:m/z	Relative Intensity
67.21046	0.3
70.77020	0.6
73.97417	0.3
108.18756	0.3
133.61664	0.3
157.35866	0.3
221.10796	0.3
223.12270	0.3
373.14496	0.3
374.15445	0.4
375.16043	0.7
386.15442	0.3
387.16275	0.4
388.16986	0.9
389.17719	2.1
390.18274	1.5
391.19550	0.7
401.17819	0.8
402.18619	1.2
403.19382	3.9
404.20212	2.0
405.20847	1.9
413.17676	0.3
414.18155	0.3
415.19601	0.6
416.16193	0.9
416.20294	0.9
417.17050	3.3
417.21078	2.4
418.17096	0.5
418.21884	0.9
419.22427	5.7
420.23224	0.6
429.17032	0.6
430.17917	1.1
431.18219	6.0
431.23572	0.5
432.18906	1.9
433.20175	1.7
443.18820	0.3
444.19659	0.8
445.20169	4.9
446.20999	5.6
446.26602	0.4
447.21863	7.4
457.20337	0.5
458.21240	0.5
459.17242	0.7
459.21866	2.2
460.18481	0.6
461.19849	1.2
473.19604	1.1
473.24802	0.5
474.20337	4.6
475.21259	6.1
477.22830	0.5
478.23566	0.4
487.21277	2.7
488.22192	0.6
489.22916	0.5
490.23758	0.4
491.20886	1.1
501.22986	1.8
505.25818	1.0
517.22168	0.4
518.23590	0.6
519.20044	0.6
529.22272	0.4
533.25562	12.9
546.22223	0.6
561.25012	19.6
562.25183	0.7
589.24750	1.0
593.27612	2.8
621.27087	100.0
622.27246	2.6
645.51190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
69.07063	0.4
69.15474	3.5
82.25388	0.3
100.49081	0.3
102.50795	0.4
115.44934	0.3
146.37524	0.3
171.64120	0.3
172.42015	0.3
209.10866	0.4
373.14487	0.8
374.15317	0.6
375.16434	0.9
387.16272	0.5
388.17148	1.4
389.17587	3.3
390.18539	1.4
391.19485	1.0
391.80252	0.4
401.18127	1.2
402.18658	1.8
403.19409	4.2
404.20096	2.8
405.20828	1.5
413.17773	0.4
414.18414	0.4
415.19440	1.1
416.15802	0.7
416.20740	0.8
417.16907	2.1
417.21896	3.0
418.17105	0.6
418.21710	1.3
419.22385	6.3
420.23184	0.6
429.20981	1.0
430.17694	0.9
430.22427	0.5
431.17688	3.5
431.22980	1.7
432.19449	1.0
433.19870	0.7
441.20508	0.4
443.18652	0.7
444.19623	0.4
445.20715	5.0
446.21167	3.2
447.21732	5.6
459.18317	4.1
460.18359	0.8
461.19348	2.2
473.19604	1.7
474.20517	8.3
474.26340	0.4
475.21310	13.2
476.21738	0.5
487.21585	3.5
488.22144	0.9
489.22491	0.4
501.23111	2.9
502.23792	0.5
505.25815	1.3
518.23749	0.6
519.20148	0.8
523.40088	0.8
529.22437	0.6
533.25671	7.8
546.22595	0.8
547.23956	0.4
561.24976	32.8
562.25519	0.8
589.24573	1.9
593.27808	0.8
621.27087	100.0
622.27527	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	621.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12829	0.3
70.81095	0.7
70.81435	0.3
78.07540	0.3
80.71204	0.3
102.01247	0.3
106.06497	0.3
123.91518	0.3
132.83549	0.4
207.09027	0.4
221.06879	0.3
243.27075	0.3
303.17038	0.3
375.16168	0.9
386.16208	0.6
387.15842	0.8
388.16925	1.0
389.17654	3.7
390.18521	1.5
391.19205	0.5
401.17838	1.3
402.18918	1.6
403.19458	5.6
404.20102	2.7
405.21030	1.8
413.17383	0.5
415.19067	1.1
416.16095	1.2
416.20651	0.7
417.16010	3.6
417.20932	3.0
418.12534	0.4
418.21521	1.2
419.22382	8.1
420.22763	0.5
427.18777	0.4
429.16644	0.4
430.17911	1.2
431.18109	7.0
431.23566	0.5
432.18924	2.2
433.20120	1.2
443.18564	0.9
444.19516	0.8
445.20224	7.4
446.21005	5.1
447.21802	9.8
455.18948	0.4
457.20432	0.5
458.21564	0.5
459.17529	1.6
459.22034	2.3
460.18756	1.2
460.23605	0.5
461.19858	0.9
473.19525	1.6
473.24255	0.8
473.29547	0.4
474.20444	11.3
475.21320	15.7
476.21878	0.5
487.21265	3.9
488.21655	1.9
491.21088	0.6
499.46249	0.3
501.23026	2.5
502.23700	0.6
505.26535	1.7
517.21954	0.7
520.24969	0.4
529.22467	0.8
531.36829	0.5
533.25531	13.4
546.23047	0.7
561.24982	75.7
562.25006	1.8
589.24213	2.0
593.27472	3.2
621.27087	100.0
622.27405	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	621.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03955	9.2
55.01876	7.1
55.05514	19.1
57.03442	9.2
57.07076	1.3
65.03943	3.0
67.05512	26.6
68.98394	0.9
69.03416	13.2
69.07072	9.6
71.01358	1.4
71.04989	8.0
71.52967	2.0
73.02934	1.1
79.05496	28.4
81.03423	100.0
81.07061	36.6
83.01369	1.4
83.04981	13.9
83.08625	22.2
84.82098	1.0
85.02433	1.9
85.02909	22.7
85.06547	3.3
87.04541	1.1
87.94841	1.0
91.05485	41.2
93.07045	21.6
95.01360	1.1
95.04976	35.3
95.05579	2.4
95.08609	14.2
97.02898	15.2
97.03464	1.8
97.06536	5.3
97.10195	8.8
99.04462	3.9
99.08118	1.3
103.05492	2.8
105.03434	1.2
105.04533	1.3
105.07033	28.6
105.07697	2.0
107.04961	13.2
107.08606	14.9
109.02886	26.5
109.06522	7.4
109.10165	5.6
111.04453	9.8
111.08091	8.1
113.06011	1.5
115.05458	3.7
116.06298	1.2
117.07033	9.0
117.07825	1.3
119.04974	4.4
119.08587	20.5
121.06510	7.8
121.10150	11.1
123.04449	6.1
123.08080	3.9
123.11752	2.4
125.02327	2.4
125.09631	5.2
127.03928	8.6
128.06226	2.6
129.07021	13.8
130.93677	1.1
131.04944	2.7
131.08560	15.2
133.06473	6.9
133.10130	10.2
135.04440	1.6
135.08043	3.9
135.11723	4.1
137.05969	4.1
137.09636	2.9
137.13272	1.1
141.07018	2.0
142.07831	2.8
143.08566	4.3
145.06459	6.1
145.10104	8.1
147.04419	3.7
147.08040	5.6
147.11700	18.8
149.05988	4.2
149.09633	7.6
151.03934	1.6
151.07526	3.1
153.07083	1.3
155.08537	2.3
157.06564	2.5
157.10138	12.3
159.08049	2.6
159.11700	3.3
161.06003	3.3
161.09631	2.2
161.13263	1.3
163.03860	2.1
163.11185	6.1
165.07114	1.1
165.09163	3.0
165.12820	4.1
167.07111	1.0
167.08595	1.8
168.86615	1.0
169.06508	1.4
169.10236	1.5
171.08087	1.9
171.11787	1.8
173.04488	5.8
173.05907	2.3
173.09694	3.5
173.13324	1.2
175.07587	1.1
175.11186	11.7
177.09131	1.1
177.12787	1.7
181.05049	1.4
181.10251	1.5
181.12207	2.0
183.06654	1.9
183.08115	1.5
185.09639	2.1
187.07582	1.5
187.11176	1.8
187.14885	1.2
189.05531	3.4
189.11293	3.1
189.12776	1.5
191.10689	3.1
193.12253	39.1
195.11783	1.4
197.13542	1.4
199.11189	2.3
204.77237	1.1
205.12234	1.5
207.13737	1.7
209.11766	1.2
211.13295	42.3
211.15305	2.1
213.12764	1.3
227.12535	5.0
231.13960	1.3
235.13370	3.7
243.14030	1.5
247.13422	1.3
249.14923	4.3
255.13835	2.8
259.13339	2.2
267.15948	13.2
273.14938	9.0
277.14359	1.4
283.13235	2.5
285.17072	11.0
289.14404	2.0
291.16238	1.3
301.14346	12.0
303.15851	1.6
319.15497	6.1
319.26199	2.0
337.16486	5.4
349.21573	1.3
351.18195	1.4
355.17651	1.8
355.28220	1.8
357.24460	1.6
367.22818	3.0
369.19150	1.2
375.17935	6.9
385.23868	3.8
393.19254	6.0
403.12357	1.0
403.25012	1.4
411.20270	3.7
421.26013	1.4
433.25626	1.2
441.26990	1.3
459.27405	9.3
477.28351	7.1
493.26086	2.0
495.29587	8.2
501.28848	1.7
511.27112	2.0
529.28369	1.6
543.29742	1.4
557.31769	1.9
567.29791	2.8
573.30658	3.4
585.30615	11.0
603.31830	12.7
621.32745	79.8
622.32666	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01863	7.7
55.05518	10.1
57.03188	2.7
57.03440	24.1
57.07083	24.1
65.03936	6.1
66.53295	1.9
67.04887	2.3
67.05184	4.3
67.05505	47.1
69.07074	10.0
69.45554	5.1
69.45978	9.2
71.05021	2.3
71.08623	17.6
79.05498	27.5
81.07059	29.4
83.08601	8.4
85.06552	14.9
85.10177	8.0
91.05484	23.5
93.07047	23.3
95.04969	57.2
95.08081	2.2
95.08618	28.1
97.06517	2.5
97.10151	3.1
105.07021	17.4
107.04956	10.9
107.08593	15.0
109.06528	59.8
109.10139	8.2
113.06017	32.4
117.07031	8.1
119.08606	11.1
120.75989	2.0
121.06504	6.1
121.10126	7.5
123.08105	4.3
123.11755	3.0
129.06978	5.7
130.76210	1.8
131.08578	12.9
133.10135	7.1
135.08070	44.0
135.11691	5.4
141.61565	2.2
143.08566	10.4
145.10143	11.0
147.08070	3.8
147.11740	3.8
149.09622	6.1
149.13263	3.6
157.10124	5.6
159.08003	2.9
159.11731	3.4
161.09616	8.3
163.11118	3.2
171.11708	3.7
173.13318	2.3
177.12721	2.4
199.14766	3.3
217.15877	16.2
239.23631	2.5
245.19075	3.6
255.17578	3.5
273.18488	36.9
291.19565	100.0
293.76987	2.3
309.20435	2.1
313.27368	46.8
321.21368	2.3
347.22195	6.8
365.23300	11.1
385.14743	2.7
545.41425	2.4
585.45123	9.7
603.46173	47.7
621.27557	9.6
624.41150	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	622.38
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01853	1.8
55.05510	30.5
57.06886	1.7
57.07083	18.9
67.05503	31.4
69.03414	6.3
69.07068	69.8
71.02979	2.3
71.03300	3.5
71.08618	12.4
79.05479	9.8
81.03421	6.0
81.07057	90.2
83.04969	3.3
83.08624	49.3
85.02901	8.0
85.06541	8.8
85.10176	3.4
87.00820	2.0
91.05473	10.0
93.07050	23.7
95.04958	3.4
95.07997	5.2
95.08608	100.0
97.02880	4.3
97.06531	9.6
97.10173	29.8
99.04429	5.4
101.05980	2.8
105.07029	13.0
107.08592	28.1
108.43218	1.9
109.02880	4.7
109.06506	5.8
109.10159	53.6
111.08071	5.3
111.11729	29.1
115.07574	7.0
119.08578	18.1
121.06490	3.8
121.10149	26.2
123.08035	5.4
123.11700	37.8
125.13277	16.6
125.94505	1.9
127.03896	4.2
127.07575	5.6
129.09087	3.5
131.08554	5.5
133.10120	12.9
135.08025	3.5
135.11694	24.6
137.05997	3.3
137.09636	6.2
137.13255	22.8
139.11192	2.6
139.14781	5.6
141.09100	6.5
143.10689	4.5
145.10138	5.6
147.11688	20.2
149.09621	5.3
149.13292	12.3
151.07634	2.1
151.11192	9.0
151.14861	13.8
153.09163	2.8
153.16383	3.7
155.10706	9.5
159.11665	5.6
161.13260	8.5
163.03941	3.1
163.11153	4.9
163.14793	3.3
165.12782	17.5
165.16406	4.1
165.55556	1.9
167.10672	5.7
169.12225	11.8
172.68991	2.1
173.13260	7.0
175.14824	4.3
177.12718	8.3
179.14323	8.7
179.17905	7.5
181.12236	6.5
183.13834	18.7
189.16371	3.7
191.14363	8.3
193.15906	4.9
193.19385	4.4
195.13786	13.1
197.15338	11.1
203.17963	2.7
205.15933	4.3
205.19510	2.5
207.17384	4.5
207.21120	5.5
209.15395	12.6
211.16879	5.8
211.18846	1.8
215.17996	2.2
219.17413	3.3
221.18938	3.8
223.16969	5.5
225.18431	3.3
229.19563	5.6
233.19063	3.4
235.63702	2.0
237.18488	5.7
239.20085	14.6
247.20592	5.7
251.20016	6.7
261.25699	5.8
265.21606	20.2
285.25644	10.7
303.26828	28.3
321.27899	85.2
339.24966	3.1
339.28952	52.4
622.32703	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
55.05508	12.1
57.03441	5.3
57.07061	6.8
67.05514	33.1
69.07079	7.7
69.76009	9.3
69.76413	16.6
71.08607	5.2
79.05498	38.0
81.07067	39.0
83.04977	5.3
91.05486	26.1
93.07039	47.4
95.04990	6.1
95.08609	26.8
105.07040	24.0
106.52271	3.9
107.04949	4.7
107.08601	22.8
109.06490	5.0
109.10165	7.1
117.07030	5.0
119.08595	18.5
121.10168	14.8
131.08565	8.1
133.10110	7.9
135.11664	13.7
135.12659	5.3
137.89197	4.9
138.11336	4.0
143.08554	5.8
145.10161	8.2
147.11688	24.9
149.13293	5.6
159.11664	4.6
161.13261	11.3
163.14870	7.0
171.11740	14.9
173.13196	4.9
189.12729	5.3
202.69101	4.3
207.13843	18.2
243.21021	22.8
258.96591	4.6
261.22134	22.4
279.15955	16.3
281.17523	64.8
335.25873	43.2
386.30542	4.8
417.17059	5.3
447.21399	5.9
448.22226	7.5
476.21674	7.4
534.25989	9.3
541.38904	100.0
559.39758	19.4
562.25073	15.6
622.18103	6.7
622.27466	67.8
623.28253	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	623.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58188	0.5
53.03944	0.7
55.01873	1.1
55.05514	4.4
65.03941	0.7
67.05508	6.2
69.07073	2.4
69.79893	2.4
72.61426	0.5
79.05497	5.2
81.03419	5.3
81.07069	5.7
83.04983	0.5
83.08624	1.4
85.06571	0.5
91.05487	5.5
93.07059	3.2
94.06560	0.7
95.04984	1.8
95.08611	3.3
97.10187	2.3
105.07024	4.1
107.04996	0.8
107.08601	3.5
109.10171	1.9
115.05411	1.0
115.81375	0.5
117.07039	2.8
119.08585	3.5
121.06503	0.8
121.10132	0.9
123.11732	0.6
125.09665	1.7
128.06256	0.7
129.07047	1.4
130.06390	0.5
131.08540	2.6
133.06485	0.7
133.10129	2.1
135.08125	0.7
135.11766	0.6
141.07016	1.0
142.07861	0.7
143.08595	1.9
145.06509	1.2
145.10175	1.7
147.04456	0.9
147.08124	0.7
147.11729	1.1
149.13263	0.7
155.08594	1.3
157.10124	1.6
159.11705	1.2
160.05228	1.0
161.06003	1.6
161.09644	0.9
161.13261	0.8
167.08658	0.6
169.10208	1.1
171.08112	0.6
171.11687	1.4
173.06068	1.6
173.13321	1.0
183.11694	1.5
185.13338	0.7
195.11798	1.0
197.13385	1.3
209.13358	0.7
213.16374	0.6
221.10875	0.5
221.13382	0.5
227.12756	0.6
227.18307	0.5
241.19698	0.6
249.46729	0.5
260.65848	0.5
271.13434	0.7
271.16931	0.9
278.69434	0.5
291.19589	0.8
333.24585	0.7
335.25806	1.1
363.16370	0.8
374.16650	0.6
375.16791	0.9
376.17117	1.0
377.17670	2.2
378.18451	1.6
379.30615	0.6
384.14798	0.5
386.16101	0.6
387.16357	1.0
388.17374	0.7
389.17996	1.3
390.18713	1.4
391.14996	0.6
391.19547	3.5
392.20206	3.2
393.20752	2.4
399.16153	1.5
400.17105	1.7
401.17752	4.3
403.19601	0.9
404.20200	1.3
405.16473	0.9
405.21390	2.8
407.22351	3.6
413.17844	2.4
414.18463	2.1
415.19424	4.2
416.20239	2.1
417.20847	2.2
419.18552	3.0
421.20328	2.3
425.17438	0.9
427.19247	1.7
428.20175	2.8
429.21585	3.3
430.21674	2.2
431.18515	1.6
433.16180	1.5
434.17303	0.7
435.21832	2.4
441.16837	0.9
442.17734	0.8
443.22464	3.5
444.19171	4.4
445.20386	1.8
446.21484	1.3
447.17474	4.6
448.19150	2.0
449.19641	1.0
456.19400	1.1
457.20538	1.8
458.21252	2.6
459.18280	1.9
461.19165	2.9
462.20096	2.3
463.20917	3.1
465.23361	0.6
466.19785	0.6
469.16678	0.7
470.17496	0.6
471.22290	7.8
472.19119	1.7
472.23563	0.6
473.19550	2.5
473.23737	1.8
474.20105	2.6
475.22412	3.8
476.18439	1.8
477.22916	1.9
483.22147	0.9
484.19128	1.1
485.19644	2.8
486.20358	4.3
488.22342	0.7
489.23697	6.5
490.19376	4.1
491.20221	2.8
499.21356	20.7
500.17612	2.6
501.23352	6.1
502.20337	1.4
503.20709	3.8
507.23871	1.6
508.24698	1.2
511.21170	1.2
513.19196	2.3
514.20306	1.6
516.21881	0.9
517.22357	13.9
518.22864	1.8
525.35797	1.4
527.21002	2.6
529.22601	9.5
531.20435	1.4
535.23413	4.2
536.24268	0.9
545.21838	41.8
546.22491	1.3
547.26672	1.6
549.25159	1.1
550.25885	1.9
555.20221	1.4
563.23199	2.2
564.23914	1.6
573.21368	14.2
577.24414	0.8
579.29810	0.9
591.25433	1.2
605.23962	91.6
605.41382	2.6
606.24426	1.7
623.24969	100.0
623.42590	11.1
624.25275	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	623.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
67.05498	0.9
69.07066	0.7
79.05486	1.1
81.07046	1.1
90.04321	0.3
91.05508	0.8
93.07049	0.8
95.04922	0.4
95.08604	0.6
96.80661	0.3
105.07033	1.2
107.08573	0.6
109.10143	0.5
117.07009	0.6
119.08537	0.7
120.74524	0.3
129.06093	0.4
129.07010	0.5
131.08577	0.6
133.10112	0.5
143.08612	0.5
145.10175	0.7
159.11754	0.4
221.10791	0.5
223.08484	0.4
223.12416	0.3
235.12299	0.5
247.12321	0.4
249.10408	0.4
283.15353	0.4
376.17239	0.6
377.17780	1.2
378.18427	0.7
386.15527	0.5
387.16388	1.0
388.17462	0.8
390.18845	0.8
391.19403	2.2
392.19980	1.6
393.20828	1.2
400.17029	0.7
401.17484	2.5
403.19519	0.8
405.16858	1.2
405.20950	1.3
406.21765	0.7
407.22446	3.4
411.16492	0.4
413.17715	1.2
414.18524	1.3
415.19495	2.8
416.20453	0.7
417.21317	0.9
419.18335	1.9
421.20325	1.2
427.18964	1.2
428.20181	0.9
429.20853	1.6
430.21793	1.5
431.18933	1.2
433.15781	0.6
433.20718	1.1
435.21796	2.0
441.17007	0.5
442.17465	0.4
443.17578	0.7
443.22809	1.2
444.19489	2.3
445.20453	1.3
446.21335	0.8
447.17355	3.3
448.18784	1.0
449.19421	1.1
456.19626	0.6
457.20728	0.8
458.20862	1.1
459.17502	1.7
460.18634	0.5
461.19672	3.0
462.20093	2.0
463.20447	1.7
470.17422	0.8
471.22336	4.6
472.18741	1.0
473.19070	2.5
474.20578	2.1
475.16937	1.4
475.21649	1.5
476.18259	0.8
477.18991	0.9
483.21857	0.6
484.19055	0.7
485.19858	2.2
486.20645	2.2
487.21243	0.5
489.22720	4.9
490.19437	4.4
491.20523	3.0
493.22614	0.8
499.21396	10.1
500.18689	1.4
501.23703	3.7
502.20163	1.1
503.20789	4.7
507.23926	1.4
508.24454	0.8
513.19122	4.1
514.20105	1.0
516.22003	0.8
517.22443	13.0
518.19507	0.6
519.20105	0.6
521.21930	0.5
527.20776	2.0
528.22009	0.5
529.22388	7.3
530.20374	0.4
531.20374	3.1
535.23486	3.2
536.24316	0.9
545.21802	21.5
547.23810	0.5
555.20300	1.3
563.23059	1.7
564.23688	2.5
573.21405	6.3
577.24481	2.7
591.22449	3.1
595.25281	0.9
605.23969	36.7
623.25006	100.0
624.25543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66114	0.2
51.17406	0.3
69.17442	1.6
69.17842	0.7
111.55273	0.3
159.90698	0.2
180.20238	0.2
190.39166	0.3
206.70392	0.2
216.76848	0.2
237.13995	0.4
238.14789	0.3
368.92419	0.3
377.17560	0.8
378.18658	0.5
386.15326	0.3
389.18384	0.5
390.18771	0.7
391.19299	1.8
392.20029	1.8
393.20947	1.0
399.16168	0.3
401.17752	0.5
402.18848	0.3
403.19748	0.7
404.20599	0.6
405.20932	3.0
406.21600	2.4
407.22333	6.8
413.17853	0.5
414.18176	0.7
415.19232	1.4
416.20456	0.6
417.21075	0.6
419.17902	0.4
419.22415	1.0
420.23056	1.3
421.23907	6.9
422.24692	2.0
427.19302	0.7
428.20346	1.0
429.20950	3.1
430.22070	0.7
431.18536	0.8
433.20053	0.9
433.24371	0.9
434.25027	0.4
441.16879	0.4
442.21860	0.4
443.22641	2.1
444.23517	1.5
445.20398	0.8
446.21423	0.4
447.18231	1.2
448.18683	0.4
449.23682	0.4
456.19397	0.3
457.23917	1.0
458.25259	2.0
459.22244	2.5
460.23380	1.3
461.19049	2.8
462.20477	0.9
463.21539	0.6
470.21014	0.4
471.22052	0.8
472.22903	1.4
473.19446	0.5
473.23758	0.2
475.21298	4.2
476.21475	2.6
477.22653	2.4
478.23578	0.4
484.18854	0.4
485.23724	3.4
486.19510	1.7
487.21323	0.9
488.22095	1.3
489.23074	2.1
490.20743	0.3
493.26163	0.4
497.23547	0.4
499.21201	3.7
500.22128	0.9
502.23975	0.5
503.24500	5.7
504.20856	0.5
504.25510	0.3
505.22650	0.8
507.23795	0.8
508.28525	0.7
513.23083	1.6
514.23560	0.6
515.24786	0.7
517.25836	1.6
521.25256	0.8
531.23877	0.4
535.27197	4.8
541.21783	0.3
545.25519	19.5
563.26544	1.1
564.26978	1.6
573.25000	6.0
577.28644	1.3
591.26312	1.7
605.27649	14.4
605.37769	0.3
623.28662	100.0
624.29102	2.4
637.58728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20191	0.7
55.11659	0.7
69.16850	7.4
94.26128	0.6
96.10044	0.6
98.21456	1.7
120.80188	0.6
150.85649	0.8
193.07108	0.7
209.22699	0.7
225.94264	0.8
237.13881	0.7
295.96487	0.8
306.67609	0.7
376.17032	1.0
377.17746	1.6
389.17984	1.0
390.18991	1.2
391.19263	3.4
392.20096	2.6
393.20764	1.6
399.15759	0.8
400.16965	1.6
401.17999	1.1
403.19919	1.0
404.20923	1.6
405.20929	3.9
406.21536	4.0
407.22296	13.6
412.17957	0.9
413.17838	1.4
414.18524	2.2
415.18985	4.7
417.21082	1.1
419.22623	1.2
420.22974	1.2
421.23837	10.6
422.24667	3.2
427.19519	1.8
428.20169	3.0
429.20874	12.1
430.21780	3.0
433.24234	1.8
441.21274	0.9
442.21600	2.1
443.22513	8.1
444.23178	3.0
445.20465	2.3
447.17484	1.0
455.18817	1.0
457.23929	3.7
458.25122	5.7
459.21893	6.7
460.22729	1.4
461.19000	4.7
462.20642	1.9
463.21252	1.1
470.20828	0.9
471.22458	1.4
472.22513	4.7
473.23480	2.1
475.21130	4.8
476.21780	4.3
477.22717	3.1
485.23483	12.5
486.20432	2.4
486.25180	1.5
487.21021	0.9
488.22195	2.3
489.22974	3.5
491.24127	0.8
498.20810	1.1
499.21487	4.6
500.22229	2.4
502.23907	1.1
503.24658	7.4
507.24084	1.5
508.28506	1.2
513.22705	3.7
514.23846	2.0
517.26398	7.6
521.25183	1.2
529.26141	1.8
531.23523	1.7
535.27240	5.3
545.25507	73.9
546.26062	0.7
562.25360	1.2
564.27313	1.7
573.24976	17.5
573.33649	1.2
574.56409	0.7
605.27618	79.8
606.28271	1.3
623.28638	100.0
624.29254	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61226	0.3
62.32890	0.3
64.30897	0.4
71.12410	0.8
80.35019	0.4
96.30383	0.3
106.28505	0.4
109.04604	0.4
149.43849	0.3
159.22115	0.4
172.15521	0.4
269.19019	0.4
388.18298	0.4
390.18954	0.6
391.19440	1.1
392.19974	0.6
400.17029	0.7
401.17856	1.0
402.19333	0.5
403.19534	1.0
404.20477	1.6
405.20752	3.2
406.21722	0.6
414.18118	0.6
415.19296	2.4
417.20984	0.7
419.18454	1.3
419.23102	0.8
420.23129	1.7
421.23929	2.1
427.19244	1.0
429.20944	3.4
430.22031	1.6
431.17770	0.5
431.22867	0.8
432.10626	0.4
432.23471	0.5
433.19537	3.4
434.24826	1.2
441.20929	1.0
442.21799	1.2
443.22299	1.3
444.23221	1.4
445.20059	2.4
446.21042	0.9
447.17413	3.2
448.22668	0.8
457.24713	3.1
458.25125	0.6
459.21701	4.5
460.22617	3.5
461.19458	12.1
462.20294	0.5
470.21298	1.0
471.18225	0.6
472.23032	1.9
473.19916	1.1
475.20526	3.5
476.22021	11.6
477.27261	2.3
484.18854	0.6
485.23578	14.3
486.20032	4.0
487.20367	0.6
487.25317	1.2
488.22003	3.0
489.22665	2.8
492.25223	1.0
493.25961	0.5
497.23508	1.1
499.21527	0.7
500.22400	1.9
502.23758	0.8
503.24472	11.7
505.22244	0.7
507.24170	0.7
513.22998	2.0
515.24451	12.1
519.24060	0.4
521.25507	11.3
531.23932	20.9
532.24207	0.7
534.22675	0.7
535.23657	1.3
541.22595	1.1
545.25757	1.3
549.24982	17.8
559.23547	9.0
563.26569	1.3
564.27136	0.8
591.26074	33.2
592.26111	0.7
623.28668	100.0
624.28900	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84893	0.5
54.58350	0.4
70.68156	0.5
70.68491	1.3
72.28326	0.4
78.30739	0.4
79.68488	0.4
84.63067	0.5
162.08801	0.5
180.73627	0.5
194.34622	0.4
202.12025	0.5
207.54318	0.7
211.86282	0.5
257.87537	0.5
290.01978	0.6
326.85190	0.5
389.18457	1.0
390.18958	0.7
391.19186	1.0
392.20313	0.5
399.16605	0.6
400.16748	0.7
403.19659	0.6
404.21060	1.1
405.20630	3.0
406.21820	0.8
413.17575	1.1
414.18478	1.1
415.19452	2.5
417.20950	1.5
419.22592	0.8
420.23227	1.8
421.23660	2.6
427.19278	0.9
429.20947	3.2
430.21921	2.1
431.18369	1.1
432.23770	0.7
433.19528	2.8
442.22058	0.8
443.22385	1.3
444.23358	2.8
445.20023	2.6
446.21210	1.1
447.17752	3.9
448.22675	1.0
456.19455	0.6
457.24426	4.1
459.21631	3.7
460.22678	3.6
461.19473	12.6
462.20114	0.6
472.22867	2.0
473.19275	0.8
475.21481	1.9
476.22055	12.7
477.26498	1.7
485.23489	13.5
486.20050	3.9
487.20950	0.8
487.25421	1.0
488.22028	2.3
489.22781	2.3
500.22141	1.7
503.24503	10.5
505.22195	0.9
513.23029	0.9
515.24408	10.3
518.23053	0.6
519.24347	0.8
521.25562	9.9
531.23987	19.1
535.23560	1.3
541.22272	0.9
545.25519	2.1
549.24969	17.3
559.23480	8.4
563.26404	1.6
591.26044	40.7
592.25897	0.6
623.28656	100.0
624.29144	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.3
71.38360	0.5
74.70631	0.2
85.47981	0.3
116.00018	0.3
152.36394	0.3
161.59470	0.3
191.48097	0.3
199.68398	0.3
218.46263	0.3
237.13916	0.3
373.15005	0.4
375.16068	0.4
377.17609	0.3
387.16425	0.3
389.17688	0.8
390.18567	0.6
391.19284	0.8
401.18130	0.4
402.18515	0.6
403.19354	1.5
404.20224	0.6
405.20941	1.6
406.21924	0.5
407.22342	1.1
413.95203	0.3
415.19138	1.1
416.19958	0.7
417.16492	0.5
417.21646	1.5
418.17532	0.7
419.22763	2.7
420.23486	0.6
429.16440	0.3
429.21478	0.6
430.17935	1.3
430.22720	0.4
431.17905	2.3
432.18628	1.4
432.24338	0.5
433.20239	4.7
443.18762	1.2
444.18900	1.8
445.19888	4.2
446.21280	2.2
447.22174	2.9
448.23169	1.2
449.23737	0.4
458.21063	5.3
459.21732	4.3
459.27368	0.4
460.22763	3.4
461.19830	0.8
462.20557	0.9
463.21368	1.9
465.22852	0.5
471.22131	0.5
472.22598	0.3
473.23367	1.0
475.21426	1.2
476.22147	1.0
477.23010	1.5
478.23563	0.3
485.23795	0.4
486.21280	0.3
487.24820	0.8
489.19086	0.4
489.23148	0.3
490.23669	0.5
491.24170	0.4
503.24326	1.1
505.22485	0.5
507.28076	0.4
517.22894	1.0
518.23108	4.4
519.24170	0.8
521.21979	1.5
530.22931	0.3
531.24628	0.6
532.24646	0.4
533.25525	6.9
534.25934	0.4
535.27753	1.6
545.25635	3.6
546.26086	1.5
563.26563	5.6
573.24963	0.9
577.28461	0.6
591.25964	0.9
605.27625	12.2
623.28662	100.0
624.28790	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
58.66551	0.3
66.00617	0.2
67.05515	1.1
69.07061	0.3
69.61832	1.4
79.05495	0.7
81.03416	0.5
81.07050	0.7
91.05488	0.7
93.07050	0.4
95.08612	0.7
97.10139	0.3
105.07077	0.6
107.08585	0.4
109.10159	0.4
117.07041	0.2
119.08571	0.3
125.09644	0.3
129.07011	0.2
131.08459	0.2
133.10156	0.3
140.57628	0.2
143.08534	0.3
157.10085	0.2
160.91124	0.3
169.10165	0.3
195.11714	0.3
200.20209	0.2
209.13170	0.2
221.13074	0.3
257.18933	0.2
275.20160	0.3
314.16498	0.3
387.16199	0.4
388.16904	0.5
389.17819	0.9
390.18509	0.5
391.19171	0.5
401.17703	0.7
402.18402	0.5
403.19412	1.7
404.20074	0.6
405.20590	1.7
415.19269	0.8
416.20163	0.6
417.16974	1.5
417.21881	1.9
418.17319	0.4
418.22028	0.5
419.22519	4.2
420.23224	0.3
428.16397	0.4
429.17099	0.7
430.17636	0.7
430.22424	0.5
431.18649	2.9
431.22824	2.0
432.19138	1.9
433.20319	2.3
434.20615	0.3
435.22025	0.6
442.18210	0.3
443.18497	2.8
443.23099	0.2
444.19101	1.1
445.20074	7.1
446.21014	4.8
447.22107	4.4
449.23557	1.5
450.24277	0.5
457.20340	0.8
458.21268	1.0
459.21844	3.5
460.22897	0.5
461.19647	0.9
462.20468	1.5
463.20981	1.7
473.23157	0.9
474.20859	0.3
475.21378	1.9
476.22052	4.8
476.28281	0.2
477.22870	5.3
478.23352	0.5
485.23032	0.3
487.21298	0.3
489.22964	1.8
490.23660	0.8
491.20572	0.5
493.21881	0.3
501.22565	0.4
503.24570	0.8
505.21353	0.5
505.26971	0.4
508.24658	0.5
517.22223	0.3
521.21106	1.2
531.24481	0.3
532.24951	0.2
533.25531	15.0
534.25323	0.3
535.22302	0.3
535.27600	0.5
545.25757	1.3
561.24884	0.6
563.26514	16.1
564.26227	0.5
590.25330	0.4
591.25787	0.5
593.27576	4.5
594.24176	0.4
595.28815	0.4
605.27710	1.5
605.42450	0.4
623.28625	100.0
624.28589	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
67.05502	0.8
69.07070	0.5
69.81561	1.2
79.05501	0.6
81.07053	0.7
91.05502	0.8
93.07069	0.7
95.04966	0.3
95.08625	0.5
98.20854	0.5
102.29018	0.3
105.07063	0.5
107.08630	0.4
117.07045	0.5
119.08620	0.8
145.06480	0.3
179.14375	0.5
207.09413	0.3
209.10661	0.3
259.39459	0.3
271.17191	0.6
283.15436	0.7
286.13498	0.4
374.15518	0.5
375.16229	0.4
388.17014	0.4
389.17722	3.3
390.18393	1.5
391.19153	2.4
392.20319	0.3
393.20868	0.3
401.17841	0.5
402.18646	1.2
403.19440	2.8
404.20233	1.3
405.20865	8.4
406.21606	0.8
415.19095	0.6
416.20111	0.9
417.16580	5.7
417.20880	1.3
418.17337	2.4
418.22815	0.5
419.18536	4.0
421.20142	0.4
429.16544	0.3
430.17871	0.4
431.18365	6.3
432.19427	6.3
432.24686	0.4
433.20187	8.4
434.21097	0.4
435.21890	0.9
443.18811	0.5
444.19513	0.4
445.20560	2.6
446.21503	0.4
447.22385	0.5
449.23438	1.0
458.20889	0.5
459.21973	1.7
460.22681	0.4
461.19415	2.2
462.20624	1.3
463.21277	1.9
464.22153	0.5
475.20758	1.5
476.22073	4.2
477.23788	3.9
478.23859	0.5
487.21405	1.0
489.23438	1.4
491.25049	1.8
503.24878	0.6
505.22311	0.6
508.24091	0.4
519.23975	24.9
520.24225	0.7
521.22369	1.1
535.27161	0.6
536.24341	0.3
545.25592	0.6
547.23425	1.1
551.26593	0.9
560.36768	0.7
563.26587	15.7
564.26923	0.4
579.17792	0.5
579.26123	5.8
591.26263	0.6
595.28430	0.3
605.27667	0.5
623.28693	100.0
624.29034	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	623.2866
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
51.72784	0.2
53.75176	0.2
55.05497	0.2
67.05499	0.6
79.05499	0.5
81.03436	0.2
81.07063	0.4
91.05486	0.5
93.07049	0.6
95.08611	0.4
105.07019	0.3
106.06559	0.2
109.10166	0.4
117.06978	0.3
119.08617	0.5
120.08096	0.3
171.09227	0.3
197.10866	0.2
198.11613	0.2
209.10732	0.4
210.11531	0.2
211.08705	0.3
211.12392	0.3
220.73360	0.2
222.11548	0.2
223.08705	0.3
223.12393	0.3
225.10452	0.2
229.55244	0.2
235.12492	0.2
237.10231	0.4
237.33398	0.2
249.10153	0.2
251.12045	0.2
253.13562	0.2
279.11594	0.2
297.12531	0.2
311.13971	0.4
326.16428	0.3
328.14740	0.3
338.12811	0.3
370.15613	0.3
375.16376	0.6
376.17184	0.5
377.17773	0.4
384.17010	0.2
388.17230	0.3
389.17731	1.0
390.18332	0.8
391.19519	1.6
392.20050	0.5
393.20685	0.5
401.17969	0.3
402.18304	0.6
403.19305	1.0
404.16064	0.6
404.20255	0.8
405.16797	0.6
405.21274	2.2
406.21555	0.9
407.22479	1.0
416.20190	0.3
417.16272	1.2
417.21170	0.8
418.17181	1.0
419.17633	2.2
419.22641	1.6
420.19308	0.6
421.24228	1.8
429.17331	0.9
430.17670	0.4
431.17819	1.6
432.19360	1.0
433.19962	3.5
433.25427	0.4
434.20975	1.3
435.21863	1.2
443.18808	0.9
444.19522	0.6
445.20184	2.3
446.21384	1.2
447.17181	0.7
447.22598	2.9
448.22913	1.8
449.23535	4.2
450.23846	0.4
457.20172	0.7
458.20996	1.4
459.22055	2.4
460.22803	0.4
461.18866	2.4
462.20102	1.2
463.21252	1.8
470.20648	0.2
474.20883	0.3
475.20670	1.5
476.22034	5.2
477.22940	5.0
489.23264	2.2
490.23624	0.6
491.20923	0.2
493.22369	0.3
503.24817	1.5
504.24734	0.2
505.22366	0.7
507.23676	0.5
508.24573	0.3
517.22870	0.4
519.24182	0.8
520.24951	0.3
521.22217	1.0
531.24054	0.6
533.25677	3.4
535.27515	3.9
545.25885	1.6
547.26880	0.5
548.24341	0.4
563.26544	18.7
564.26685	0.3
573.24835	0.3
591.25922	1.1
593.27551	1.0
595.29108	0.7
605.27527	2.8
606.28204	1.8
623.28656	100.0
624.28937	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
50.61476	0.4
53.73310	0.4
54.98926	0.4
55.05509	1.3
67.05512	2.4
69.07057	1.1
79.05502	2.0
81.03425	1.6
81.07063	2.0
90.25673	0.5
91.05486	1.7
91.98720	0.5
93.07057	1.3
95.04984	0.6
95.08627	1.6
105.07066	1.7
107.08601	1.2
110.29572	0.7
115.05443	0.5
117.07057	1.0
119.08623	1.6
121.10219	0.5
129.06982	0.6
131.08563	1.1
133.10141	0.8
145.06557	0.8
145.10191	0.8
155.08549	0.6
159.11722	0.7
161.05992	0.6
209.10905	1.0
223.12349	1.2
224.13112	1.3
237.10371	0.8
271.17178	0.6
380.14206	0.7
380.20032	0.5
387.16650	0.7
389.17853	0.7
390.18237	0.6
391.19434	0.9
393.20880	0.7
401.17896	0.9
402.18909	0.7
403.19476	1.3
405.21011	1.3
407.22501	1.8
415.19562	1.9
416.20538	0.6
417.21381	1.1
418.21930	1.2
419.22580	1.5
421.24362	0.7
429.21335	2.1
430.17596	0.9
431.18918	2.6
431.23218	1.4
432.19232	1.0
433.20532	1.8
443.18762	1.7
444.19626	1.4
445.20044	4.9
446.21164	2.9
447.22479	2.6
449.23584	2.3
457.20044	0.6
459.22141	2.7
461.19009	3.5
462.20871	1.5
463.21619	1.6
471.22345	1.1
472.22623	0.5
475.21329	2.4
476.22134	5.1
477.23038	7.1
485.23459	1.5
489.23260	2.6
499.21317	2.6
501.22940	0.7
503.24472	1.5
517.22693	1.5
521.22430	1.5
529.22552	1.0
531.23944	0.8
533.25745	3.6
535.27924	2.3
545.26306	8.8
548.24591	1.0
563.26593	27.3
573.24963	2.2
591.26080	1.8
593.27850	0.8
595.29248	0.9
605.26599	11.0
605.42273	0.7
623.28760	100.0
624.29193	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.6
55.01869	7.4
55.05515	26.1
56.01403	1.6
57.03444	9.6
58.78384	1.6
61.02928	3.2
67.05510	52.3
69.03429	20.1
69.07072	17.0
69.31702	3.5
69.32113	12.3
71.04996	9.3
72.42570	1.6
79.05499	39.2
81.03420	100.0
81.07058	67.9
83.04977	18.7
83.08624	23.5
85.02908	26.4
85.06552	4.2
87.04515	1.8
91.04920	1.8
91.05489	47.3
93.07053	47.8
95.01293	1.6
95.04980	26.7
95.08614	19.8
97.02909	17.6
97.06497	9.2
97.10191	7.6
99.04480	7.1
99.08115	2.1
105.04522	2.8
105.07045	26.9
107.04964	8.0
107.08606	22.6
109.02897	19.5
109.06526	6.5
109.10159	8.4
111.04452	9.4
111.08064	8.9
113.06031	2.4
115.05468	3.8
117.07018	14.2
119.04980	2.2
119.08596	21.9
121.06532	4.3
121.10146	18.2
122.24599	1.8
123.08035	3.1
123.11703	4.7
125.09687	4.1
127.03957	9.8
128.06236	2.2
129.05515	3.6
129.06996	12.6
131.04919	2.2
131.08577	13.8
133.06528	4.2
133.10126	16.6
135.08063	3.2
135.11682	5.0
137.05991	2.4
141.06949	2.4
142.07832	2.9
143.08620	4.2
145.06505	5.0
145.10170	4.0
147.04523	2.1
147.08072	5.5
147.11708	20.2
149.09650	5.1
149.13266	10.0
152.39839	1.9
153.12810	2.8
154.38751	1.9
155.08551	2.5
157.06522	2.6
157.10143	9.0
159.11694	8.5
163.03957	3.7
163.11246	5.3
165.12802	5.7
171.08170	1.9
171.11693	3.6
173.04533	3.6
173.05917	1.8
173.09677	2.5
173.13321	2.6
175.11195	9.8
177.12711	4.4
181.10263	2.1
181.12282	3.3
189.12935	2.1
191.10703	3.5
193.12245	29.1
195.13824	11.0
201.13025	2.1
205.12421	2.0
211.13298	42.8
213.14874	2.5
227.12816	6.5
231.14040	2.3
238.43819	2.1
245.15642	2.1
249.14853	2.3
261.14917	2.1
267.15955	16.7
269.17404	11.2
273.14603	2.7
278.43533	1.8
285.17136	6.7
301.14368	2.5
303.16101	3.9
322.83255	1.9
323.14194	2.1
339.18146	6.6
351.23615	3.1
355.17529	3.9
369.24512	2.1
377.19653	4.2
387.25357	2.3
395.20859	6.2
411.20340	5.5
413.21747	2.0
443.28122	6.8
451.14456	2.1
461.28952	25.3
479.30130	17.6
545.31256	3.3
569.31366	3.7
587.32166	4.9
605.33691	14.1
623.34338	85.2
624.34833	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
53.03948	3.2
53.64666	0.9
55.01874	4.3
55.05515	15.8
55.18108	0.8
57.03445	6.6
61.02932	21.2
65.03964	1.5
67.05512	30.2
69.03420	7.2
69.07069	12.9
69.80916	4.4
71.04987	3.6
73.02931	5.3
79.05497	26.6
81.03417	6.7
81.07061	29.4
81.07535	1.8
83.04987	3.3
83.08621	10.5
85.02905	18.9
85.06541	3.2
88.41207	0.8
91.03958	10.2
91.05486	32.5
93.06483	1.9
93.07050	28.1
95.04963	5.9
95.08612	20.0
97.02892	12.8
97.06545	5.3
97.10176	3.3
99.04472	1.7
99.08095	1.1
103.05458	2.2
105.04480	1.1
105.07037	26.7
107.04953	5.8
107.08597	11.4
109.02903	1.8
109.06522	5.3
109.10156	9.4
111.04456	1.2
111.08106	3.7
115.05467	3.5
117.06228	1.9
117.07020	25.2
119.04901	1.5
119.08594	17.8
121.06507	5.8
121.10139	7.6
123.04421	1.5
123.08099	2.4
123.11754	1.1
125.09622	2.2
127.03938	4.2
128.06227	7.0
129.07008	26.4
129.07933	1.7
131.04947	2.2
131.08577	31.7
133.06477	4.5
133.10117	10.5
135.08043	3.4
135.11723	4.0
137.05939	1.0
137.09610	1.4
141.06998	12.7
142.07767	3.0
143.08569	25.7
145.05005	1.5
145.06509	6.4
145.10127	15.5
146.98993	0.9
147.08086	4.2
147.11674	5.0
149.09598	5.2
149.13257	1.0
151.11182	1.9
153.07021	2.1
154.07805	2.1
155.08569	21.1
157.06560	2.8
157.10152	13.7
159.08034	4.6
159.11714	7.7
161.04497	1.0
161.05998	1.5
161.09680	2.3
161.13277	2.0
163.03981	1.7
163.11194	3.1
165.06990	2.5
165.09134	1.4
166.07840	1.7
167.08594	8.8
168.09308	2.0
169.06512	1.4
169.10127	13.7
171.08070	3.7
171.11723	7.9
173.09564	2.2
173.13356	2.2
175.11208	3.5
177.12764	2.0
178.07878	1.0
179.08563	5.4
180.09514	1.2
181.10136	6.8
182.10925	1.8
183.11693	7.3
185.09627	1.6
185.13281	7.8
187.11247	2.6
187.14838	3.0
191.08598	1.2
193.10210	3.8
193.12241	1.1
195.11719	8.5
197.09607	1.5
197.13275	4.7
199.11168	1.6
199.14847	3.7
201.12845	2.5
203.14337	1.3
207.11769	4.2
209.13341	6.5
211.11290	2.0
211.13083	1.1
211.14870	3.5
213.12804	2.7
213.16335	1.4
215.14403	5.0
217.15817	1.0
219.11775	1.2
221.13274	7.8
223.14958	5.7
225.12787	2.0
225.16429	1.9
227.14467	1.3
229.14156	1.7
229.16122	1.6
231.13835	1.3
231.17503	1.2
233.13354	1.8
235.14912	4.0
237.16440	1.5
239.14290	4.4
243.17444	1.7
245.15479	1.5
247.16954	1.4
249.16383	2.0
253.15945	2.4
257.15350	2.5
259.16904	1.5
267.17490	1.5
271.16937	3.4
275.16431	1.3
285.18512	1.8
295.17181	1.0
305.22620	1.1
315.20987	2.8
323.23615	4.4
333.22159	12.2
341.24725	6.2
351.23187	33.5
369.24283	31.6
387.25314	16.5
389.24902	1.3
407.25793	1.5
415.28708	2.0
425.26923	8.0
433.29401	1.8
443.27948	100.0
444.28720	1.2
461.29022	69.0
462.29446	1.2
485.29221	1.7
503.29919	1.3
587.31970	1.2
623.34833	5.7
630.02753	1.1
652.54675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02414	0.4
53.03965	0.9
55.01888	1.0
55.05523	0.4
57.03451	0.8
67.05524	0.4
68.15910	0.4
69.03428	2.1
71.05019	0.5
71.31494	0.5
73.02926	0.6
77.03987	0.3
79.05508	1.0
81.03427	2.5
81.07081	0.7
85.02914	5.2
87.00851	2.2
91.05482	2.0
93.07059	0.9
95.08617	0.4
97.02908	2.4
99.04461	0.9
103.05469	6.9
105.01877	1.2
105.07030	0.7
107.04945	0.5
107.08603	0.4
109.02896	1.9
109.10194	0.4
115.05478	0.6
117.07015	2.4
119.04926	1.2
121.06493	0.8
123.04451	0.7
123.08086	1.0
127.03931	2.5
128.06248	0.5
129.07031	0.7
131.04939	14.6
131.08603	0.3
135.04428	21.7
135.08060	0.7
137.06006	2.1
143.04890	0.4
143.08568	0.7
145.04936	0.6
145.06505	0.6
147.08051	0.4
149.02377	0.5
149.06000	5.6
149.09688	0.4
151.07555	5.6
153.59209	0.3
159.03011	0.7
159.04428	2.8
161.05991	48.2
162.06802	1.6
163.03894	1.1
163.07571	1.3
165.09138	0.8
167.08568	0.8
171.08044	0.7
175.07562	3.8
177.09117	100.0
178.09383	0.5
179.07115	0.4
183.48860	0.3
189.09123	1.4
195.08096	1.3
195.10184	4.2
201.09117	0.5
203.10622	1.0
207.08148	0.3
207.10152	1.1
219.10161	0.8
221.06052	0.7
221.09857	1.0
221.11739	24.9
223.07526	0.8
223.99487	0.3
225.09061	1.2
227.10670	0.8
235.07869	0.5
251.07021	0.6
251.10672	1.1
253.08560	1.4
255.10139	0.7
261.09006	0.6
264.07462	0.5
265.08575	0.8
282.08865	0.5
283.09637	1.7
285.11237	4.3
293.11591	0.4
295.09616	1.0
297.11139	2.4
299.12811	1.8
309.11279	0.5
311.12762	2.1
321.11029	0.5
323.12915	0.5
325.14310	0.9
329.10220	0.5
329.13831	8.7
341.13855	6.2
343.15253	1.1
419.14832	0.9
437.15402	0.6
489.36111	0.4
541.16486	0.8
627.57074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.01877	4.3
57.03434	2.7
57.79745	0.6
61.02934	3.1
63.88383	0.6
64.99230	0.6
67.05502	1.1
68.99794	1.3
69.03098	1.0
69.03436	14.6
71.04995	2.8
71.52171	0.8
73.02934	3.2
78.35094	0.6
79.05486	2.8
81.03423	14.0
81.07053	2.7
83.04976	0.8
85.02912	37.9
85.06563	0.7
87.00838	15.8
91.03934	1.8
91.05493	5.4
93.07041	1.2
95.04967	1.7
95.08620	1.5
96.08901	0.6
97.02307	0.8
97.02902	14.1
97.06495	1.0
99.04470	5.3
103.05472	1.7
105.01875	12.1
105.07025	2.1
107.04958	2.7
107.08594	2.3
109.02892	9.5
109.06509	0.9
109.10162	1.5
111.04442	0.8
115.03958	3.0
115.05447	0.9
117.01858	2.0
117.06995	1.4
119.04947	4.7
119.08572	1.1
121.02863	1.0
121.06492	1.2
121.10207	1.5
127.02984	1.0
127.03922	19.1
127.04827	1.4
128.06233	0.9
129.01837	1.6
129.07013	2.2
131.04922	3.3
133.06503	1.0
135.04428	40.2
135.08028	1.2
135.11716	1.0
137.05994	8.7
141.07057	0.6
142.33435	0.6
143.04944	0.9
144.05702	0.7
145.04955	8.2
145.06113	1.0
145.06474	0.8
145.10106	1.1
147.04451	1.4
147.11711	1.2
149.02402	3.2
149.06001	25.0
149.13251	0.8
151.07555	7.0
157.06520	2.1
159.02917	4.9
159.04414	3.4
161.06007	13.9
161.09612	1.6
163.03973	5.0
163.07550	6.1
163.11217	1.1
164.04324	0.7
165.07062	1.0
165.09119	2.6
167.08591	3.5
173.05984	0.8
173.13289	0.7
174.06729	1.3
175.07550	6.2
177.05565	0.6
177.06946	0.8
177.09116	15.1
178.07780	1.5
179.08565	0.8
181.06508	0.8
185.05995	1.1
187.07568	2.0
189.03941	0.8
189.09126	5.8
191.08632	0.7
192.82964	0.6
193.06509	1.8
193.10172	2.5
195.08070	9.7
195.10121	2.9
197.09563	0.7
201.05553	1.1
201.09171	1.2
203.06978	0.8
203.08655	1.3
203.10541	0.8
205.12228	0.8
206.07228	0.9
207.08241	1.2
207.10164	3.0
209.06085	1.0
209.08044	2.7
209.09749	0.8
211.07593	0.8
219.04977	1.6
219.08179	1.2
219.10139	1.5
221.05981	2.1
221.09642	5.0
221.11761	4.2
222.06686	1.2
223.07518	7.1
225.09122	8.3
227.10707	6.0
231.04964	2.6
233.09596	1.5
233.11691	1.0
235.07552	1.4
237.09088	1.7
239.10745	0.9
240.07820	0.7
245.09596	0.7
249.06210	1.1
249.09106	2.7
249.11369	1.3
251.07001	6.1
251.10696	6.2
251.13019	0.9
253.08589	9.5
255.06398	0.7
255.10193	6.5
261.09042	1.4
261.11447	0.8
263.06906	0.8
263.10764	1.0
265.08615	2.6
267.06445	1.5
267.10266	1.4
268.07242	0.8
273.11371	0.9
274.35098	0.7
276.07837	1.2
277.08386	0.8
278.09164	0.9
279.10150	2.8
281.08212	0.8
281.11722	1.1
282.08865	1.5
283.09619	10.6
285.11240	36.1
289.08649	1.1
291.10089	2.3
293.08218	0.8
293.11578	1.0
295.09659	6.1
296.10599	0.7
297.11218	8.4
303.10294	1.3
305.07965	0.7
305.11774	0.8
307.09793	1.1
309.11185	5.9
311.12805	13.6
315.12656	1.2
317.11621	0.9
321.11185	2.0
323.12927	2.4
323.25781	0.7
328.12967	0.6
329.13849	100.0
330.14389	1.3
333.11234	1.8
337.10779	0.8
339.12344	2.6
341.13873	27.1
347.12881	1.4
350.84189	0.6
351.12222	2.0
353.13892	5.9
355.15533	1.0
359.12909	1.0
363.12289	1.1
365.14075	4.0
369.11349	0.8
373.16425	1.2
377.13870	1.4
383.14737	2.5
391.15256	1.1
395.15036	4.4
401.13690	2.2
407.14499	0.8
419.14886	9.1
437.16058	4.9
455.17050	1.0
505.14905	1.4
523.16052	3.3
541.17133	7.2
559.18121	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	624.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.0
57.03445	2.8
63.53569	1.3
67.05502	8.3
69.07053	2.0
71.52647	2.6
79.05493	5.9
80.93235	1.3
81.03435	1.6
81.07061	8.8
83.08618	1.9
91.05482	6.0
93.07051	7.7
95.04971	2.1
95.08601	6.1
97.06578	1.4
105.07018	3.8
107.08611	4.0
119.08593	2.6
121.10157	3.6
123.08084	1.4
125.09629	2.4
131.08603	3.0
135.11688	1.4
137.04974	1.4
139.75581	1.5
145.10168	2.8
149.13281	1.6
163.11159	2.0
163.14767	1.3
227.12706	2.8
243.21182	1.8
261.22214	2.9
283.15479	11.9
291.49496	1.4
299.23694	1.6
335.25992	6.5
396.16837	1.3
402.18451	1.8
405.20471	1.6
406.20697	1.6
419.41559	1.6
420.22937	2.2
432.18704	2.3
433.20163	2.4
434.20712	3.3
435.21594	1.6
444.18555	2.0
445.19623	2.5
446.20801	3.1
447.21695	3.4
462.20325	2.9
463.20914	2.4
464.21085	1.9
472.22595	2.3
476.21729	5.5
477.22278	5.7
478.23404	6.3
489.23032	1.9
490.22821	2.2
500.22131	3.2
518.22589	2.9
525.35553	2.5
528.21973	2.1
530.22968	1.8
534.25891	4.4
543.36993	15.4
546.21307	7.8
549.24280	1.8
561.37726	2.4
564.26874	31.1
565.26508	2.3
574.22150	2.0
592.25256	2.4
606.23938	15.4
606.41571	1.5
624.29108	100.0
625.27966	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	624.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.6
55.05506	13.1
57.03433	7.8
67.05511	30.6
69.07056	15.1
69.42839	14.4
69.43264	12.1
71.08639	17.9
71.10201	3.3
75.23143	3.2
79.05503	35.0
81.03426	29.2
81.07063	38.4
83.04971	9.9
83.08616	15.1
85.02892	8.3
87.08467	3.4
91.05487	33.7
93.07058	42.0
95.04970	14.5
95.08636	24.3
97.06522	7.9
99.08085	17.1
105.07040	24.5
107.04958	9.0
107.08621	20.3
109.10153	7.7
111.08069	6.4
117.07018	5.7
119.08576	22.1
121.10179	23.3
129.07022	7.8
131.08582	13.2
133.10133	14.5
135.08086	3.6
135.11703	20.9
138.58928	3.4
141.09132	3.8
147.11720	16.7
149.13251	5.1
151.11218	6.0
157.10138	9.4
159.11600	3.2
161.13196	4.3
169.64301	3.6
171.11754	4.2
175.11163	6.0
179.14339	70.6
182.49780	2.9
193.12244	15.4
194.23653	3.2
211.13298	30.3
267.15961	35.1
275.20093	4.6
276.20490	3.8
277.21646	64.1
285.16959	91.9
351.25305	47.4
352.37244	4.3
543.36871	57.8
546.24249	3.1
561.37939	100.0
565.24237	9.2
624.29083	20.3
624.43353	10.7
625.26685	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.3
57.03431	16.3
57.07085	48.7
67.05514	35.5
69.03471	4.0
69.07060	10.6
69.85132	19.9
71.08643	26.8
79.05511	29.0
81.07062	38.2
83.08611	11.9
85.10175	16.7
85.46538	4.0
85.94592	4.0
91.05093	3.3
91.05499	39.6
91.87524	4.6
93.07047	32.7
95.08627	38.1
97.10181	5.6
99.08107	4.8
105.07040	47.1
107.08607	26.6
109.10153	15.8
117.07034	15.7
119.08580	39.0
121.10141	17.3
125.09547	3.6
129.06973	4.9
131.08566	17.6
133.10152	39.0
135.11705	13.5
143.08589	4.9
145.10114	17.7
146.60512	3.8
147.11678	36.5
149.13284	7.1
159.11726	10.5
161.13281	19.6
171.11659	7.3
173.13268	8.9
175.14804	8.5
185.13298	5.0
199.14859	3.9
209.13660	5.1
219.59779	3.7
231.20973	8.4
241.19641	24.5
241.21642	5.2
259.20612	83.3
287.96332	3.9
302.09708	3.7
313.27405	100.0
315.23203	8.9
329.82764	4.1
333.24210	63.4
339.82986	4.0
415.13849	4.5
433.52280	3.5
484.81491	4.7
571.46838	13.9
589.48077	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	625.1764
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
55.01870	0.4
55.05501	0.4
57.03439	2.0
60.07059	0.2
61.02921	0.9
63.04482	0.2
69.03421	1.0
69.69057	0.3
69.69389	1.5
71.04998	10.8
73.02922	0.4
75.04478	0.5
81.03411	0.8
82.53545	0.2
83.04991	0.8
85.02908	14.4
87.04487	0.3
91.03951	0.4
92.02631	0.3
93.03377	0.5
97.02889	1.1
98.21494	0.5
99.04469	0.3
100.11227	0.4
109.02835	0.4
121.02844	0.5
126.03122	0.3
127.03902	0.7
129.05470	2.8
133.02864	0.5
137.05962	0.4
139.03897	0.6
145.02945	0.3
145.04958	0.7
147.06519	1.3
151.03903	0.5
153.01817	4.3
163.03879	0.7
165.01845	0.7
177.05478	0.6
182.15340	0.4
182.23802	0.2
188.04965	0.2
201.05513	0.5
210.15021	0.6
217.04962	0.5
220.61555	0.3
228.04129	0.6
229.05066	1.9
246.05154	1.3
257.04456	1.6
261.07703	0.4
273.03897	1.2
274.04745	2.2
284.03101	0.3
285.03955	3.1
302.04221	10.7
317.06570	100.0
318.06921	1.1
575.89728	0.3
625.42358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.6
58.99871	0.9
64.02130	0.8
69.03425	2.3
69.98067	3.4
69.98401	0.8
75.96304	0.8
77.00903	1.2
81.03414	1.9
82.99847	1.6
85.02898	2.9
97.02888	2.3
98.97583	3.8
100.96815	0.8
101.00879	10.9
105.07040	1.0
109.02892	1.5
113.00866	2.1
115.02437	0.9
116.98604	1.8
119.01930	21.4
119.04974	0.9
120.02142	0.8
127.02451	4.3
127.03913	0.9
128.98576	1.0
131.01927	6.1
134.99637	1.1
137.02959	2.3
137.05960	1.1
139.02423	0.9
141.03960	1.0
143.00188	0.9
143.01901	18.6
145.03485	12.0
146.99597	1.0
147.04404	1.0
153.04065	1.0
155.01906	15.5
155.05582	1.4
157.03455	6.4
158.99683	1.7
161.02969	19.6
161.04343	1.3
163.03865	2.4
163.06047	1.9
167.01923	8.5
169.03413	3.9
171.05025	3.3
173.01457	1.1
173.02974	19.4
173.06514	1.3
175.04549	1.6
177.00697	1.8
177.04083	1.1
179.01967	4.7
179.05573	2.3
181.03436	3.1
181.07127	3.1
185.02963	38.0
187.04529	5.1
189.00812	1.1
191.03925	1.9
195.05002	2.2
197.01273	1.4
197.02956	14.8
197.06674	5.5
199.04552	8.4
199.08176	3.6
203.03984	12.2
203.05542	0.7
207.05074	2.6
209.02946	2.3
215.02301	1.4
215.04044	9.0
217.05482	1.2
219.01765	2.0
221.03201	1.9
221.05083	11.8
223.04523	12.7
223.08109	1.1
225.06029	5.6
227.03969	10.2
235.04558	1.3
237.02780	2.0
239.04132	1.6
239.06120	6.4
241.05624	22.1
243.01826	1.2
243.07126	3.8
245.05083	100.0
249.06165	2.0
253.05687	1.8
257.05109	4.7
259.04523	0.9
261.03058	1.0
261.06061	0.9
263.06137	19.8
265.05655	1.3
267.07104	25.7
275.06116	21.8
277.05188	0.9
277.07867	1.2
279.07193	2.3
285.03027	1.5
285.08176	21.3
293.07159	2.5
297.08200	5.1
303.03931	1.1
305.07211	13.5
309.08261	1.3
311.06094	1.1
313.06116	2.2
315.09296	1.8
321.08368	1.2
325.07535	4.6
327.03757	3.5
327.09296	11.2
335.08148	4.2
343.08658	3.4
345.04968	1.1
345.10236	1.1
347.08273	1.1
355.07220	1.6
357.10306	1.7
362.09567	1.7
365.09335	15.4
369.05582	1.6
369.10321	10.0
387.11380	23.0
405.07083	1.8
429.07123	2.5
429.12555	2.1
447.07904	1.7
505.13565	1.4
549.16644	75.1
550.16852	1.7
631.63330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2127
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
53.03944	0.5
57.03428	1.0
61.53169	0.4
67.57748	0.3
69.03431	2.3
69.92487	1.8
71.04999	5.2
79.05507	0.7
81.03420	1.0
83.04967	0.6
85.02910	7.2
86.92023	0.4
89.03912	4.1
91.05453	0.5
92.95769	0.3
97.02884	3.1
107.04956	1.7
109.02893	0.6
117.03391	5.6
119.04979	0.4
124.58609	0.4
127.03908	0.6
129.05475	2.1
135.04414	10.7
137.05963	1.3
140.16470	0.4
145.02853	9.5
147.04399	0.8
151.07538	0.6
161.06004	1.0
163.03911	100.0
164.04225	0.8
165.05495	1.4
175.07587	0.5
179.05309	0.3
179.07050	1.3
181.05029	1.7
203.07047	1.0
221.08141	0.8
245.08113	0.5
247.09624	0.4
263.09164	1.0
265.07159	0.5
281.10306	0.6
284.34290	0.4
299.11475	0.4
309.09674	2.3
317.10187	0.5
325.09171	13.8
326.05005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
64.69714	0.3
67.05501	1.4
69.07042	0.7
69.61562	2.0
79.05501	1.2
81.07062	1.2
83.08596	0.4
91.05483	0.7
93.07057	1.3
93.50748	0.3
95.08611	0.7
95.90691	0.3
98.21457	0.5
99.86584	0.4
105.07034	0.8
107.08600	0.9
109.10147	0.4
119.08607	0.6
121.10159	0.7
133.10083	0.4
143.08617	0.4
171.11612	0.4
175.12161	0.3
220.10052	0.4
221.10846	0.8
237.13931	0.4
244.55235	0.3
291.19382	0.4
300.14871	0.4
312.15189	0.6
324.15082	0.4
325.15875	0.5
326.16479	0.5
328.18423	0.4
334.38120	0.4
375.16159	0.8
377.17847	1.2
378.18884	1.2
389.18405	1.0
390.18549	1.4
391.19113	4.0
392.20056	2.3
393.21008	0.7
403.19293	1.1
404.20120	1.6
405.20731	9.0
406.21567	2.7
407.22360	6.5
417.21066	0.7
418.21698	0.9
419.22385	3.8
420.23138	3.8
421.17422	0.6
421.23788	8.4
421.28928	0.7
422.17572	1.0
422.24606	0.9
432.19153	0.4
433.24554	3.0
434.24768	2.2
435.18011	2.7
435.24213	0.5
436.19110	1.9
437.19849	1.1
445.20224	1.2
447.21866	1.5
449.19763	2.2
449.26514	0.5
450.20435	1.8
451.21304	19.7
452.22177	3.6
460.22800	0.6
461.24097	0.8
463.21313	1.3
464.21982	2.3
465.22870	15.0
466.23721	3.7
473.19583	0.9
475.20810	1.0
475.25186	1.1
477.22424	1.2
477.27563	0.6
478.23633	1.3
479.24466	2.8
487.21490	1.7
488.22015	1.5
491.21057	1.6
492.20761	2.3
493.26047	12.3
494.26395	1.9
501.22723	0.7
503.24481	7.9
504.25262	0.8
505.22455	1.1
509.21826	3.5
519.23676	0.6
521.25549	8.4
523.23425	8.9
524.24316	0.7
537.25024	6.9
538.25757	16.8
547.23364	2.4
548.23969	0.6
563.26288	0.5
565.24518	8.7
566.24994	1.8
579.26636	0.7
581.27661	6.6
607.25623	5.8
625.26569	100.0
626.26825	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	625.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
59.55488	0.3
65.19980	0.4
67.05494	1.7
69.07067	0.7
69.72894	2.0
79.05475	1.7
81.03423	0.5
81.07057	2.0
83.08622	0.5
85.86198	0.4
91.05476	1.5
93.07040	1.7
95.08620	1.4
97.10171	0.4
98.20827	0.5
101.01080	0.4
105.07030	1.0
107.04994	0.6
107.08608	1.0
109.10223	0.8
117.07048	0.5
117.71077	0.4
119.08621	0.6
121.10140	0.5
131.08603	0.9
133.10135	0.4
134.37880	0.3
145.10168	0.5
147.11752	0.5
149.13260	0.4
163.11284	0.5
197.10927	0.4
227.12881	0.5
273.18472	0.6
277.21997	0.4
283.15359	0.5
313.15482	0.4
335.25867	1.0
392.19989	0.5
393.17087	0.5
403.19144	0.4
405.10117	0.4
405.20929	1.1
406.21701	1.0
407.22479	1.3
418.17703	1.8
419.18643	1.4
419.22687	1.2
420.23679	2.5
421.24567	0.7
423.22015	0.7
432.18909	2.2
433.19928	5.6
434.21085	1.8
435.22177	1.0
436.22784	0.5
437.23611	0.7
446.20901	1.1
447.21631	4.6
448.22528	2.5
449.19482	2.3
450.16284	0.5
451.25778	2.2
461.23712	0.8
463.20776	3.3
464.21869	2.7
465.23108	3.0
477.22464	2.0
478.23630	6.8
479.24478	9.5
491.24933	2.2
492.25803	0.6
493.26645	0.5
495.24084	0.5
505.26102	1.1
510.26422	0.9
519.24115	0.6
523.22717	2.2
533.25696	0.9
534.26215	1.1
535.26813	0.7
537.25586	2.0
544.36938	0.5
551.26361	0.6
565.28259	30.4
566.28540	0.6
593.27728	0.9
594.28558	0.9
596.26422	0.7
597.30695	1.1
607.27844	0.4
607.43176	0.4
625.30182	100.0
626.30505	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01865	3.2
55.05514	15.4
57.03426	4.4
57.07083	2.6
60.96535	1.3
65.03934	1.7
67.05509	32.9
69.03420	1.4
69.07069	14.4
69.55687	7.1
71.04986	3.0
79.05493	26.1
81.03425	1.9
81.07059	34.0
83.04956	3.4
83.08615	6.9
85.06569	1.5
91.05478	30.8
93.07046	28.0
95.04961	3.8
95.08618	19.8
97.06530	4.9
97.10147	3.5
105.04546	1.3
105.07039	31.0
107.04947	2.7
107.08609	14.3
109.06531	4.2
109.10159	10.8
111.08112	1.4
115.05466	2.3
117.07027	14.9
119.08595	21.4
121.06506	3.9
121.10140	9.1
123.08091	2.6
123.11690	2.6
125.09650	2.1
128.06218	3.0
129.06995	12.9
130.07790	1.6
131.08557	27.1
133.06441	1.9
133.10124	15.2
135.08083	2.2
135.11697	4.5
139.11166	1.5
141.07025	5.3
143.08533	12.4
145.06509	1.7
145.10129	15.7
147.08025	3.6
147.11717	6.3
149.09627	3.2
149.13354	1.8
151.11235	1.7
155.08566	7.4
157.10135	7.9
159.07993	1.4
159.11729	8.7
161.09595	1.9
161.13284	2.1
167.08592	2.5
168.09390	1.9
169.10083	8.1
171.11627	7.4
173.11871	1.4
173.13272	5.0
181.10089	3.7
183.11775	7.1
185.13272	5.8
187.11176	1.5
187.14793	2.0
189.12762	2.0
195.11729	3.6
197.13264	6.1
199.14792	4.7
201.16470	1.3
209.13287	2.9
211.14857	2.9
223.14798	2.0
225.16498	1.7
227.17848	1.7
227.24364	1.4
233.15530	2.0
237.16339	2.0
241.19366	1.5
247.16977	1.4
275.20010	2.1
325.25253	2.2
335.23441	2.3
343.26236	3.2
353.24780	10.8
365.28406	1.9
371.25882	14.0
389.26886	15.6
427.28519	3.4
445.29504	100.0
463.30640	46.3
513.35718	3.0
533.40375	2.2
551.40729	1.8
607.43402	9.4
625.31769	5.0
625.44293	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01876	1.9
55.05518	9.5
57.03425	1.7
60.05842	1.3
65.03957	1.4
67.05504	23.5
69.07084	6.5
69.68851	6.6
71.05015	1.5
74.72966	1.3
79.05496	14.2
79.74615	1.3
80.12923	1.1
81.03413	2.3
81.07066	15.7
83.05027	1.7
83.08589	2.9
85.02930	2.1
91.04927	1.7
91.05483	20.1
93.07057	16.5
95.04949	2.6
95.08604	13.7
97.06538	2.9
97.10202	1.7
98.20732	1.4
101.79584	1.3
105.07030	20.2
107.08590	10.8
109.06541	3.2
109.10154	6.3
117.07024	11.0
119.08581	14.3
121.06500	3.1
121.10165	6.4
126.36703	1.4
128.06236	1.7
129.07019	8.4
131.08560	14.8
133.06509	3.2
133.10118	8.3
135.08067	1.6
135.11671	4.2
137.09641	1.7
141.06944	1.8
143.08571	7.6
145.06528	2.0
145.10152	9.3
145.11165	1.5
147.11670	4.0
149.09622	1.7
155.08592	4.8
157.10156	5.8
159.11743	4.4
159.74165	1.3
167.08600	2.4
169.10146	4.9
171.11707	4.3
173.13257	3.7
181.10097	2.4
183.11725	3.9
185.09615	1.4
185.13277	1.4
195.11661	2.2
199.14963	2.0
209.13293	1.8
211.14763	1.8
223.14856	1.6
227.14310	1.5
267.74112	1.6
325.25351	2.1
343.26389	2.8
349.43277	1.5
353.25049	8.1
371.25793	11.3
389.26804	9.8
445.29538	100.0
456.41141	1.6
463.30582	23.6
465.55832	1.4
625.45325	1.6
653.26569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01875	7.8
55.05516	20.2
57.03446	5.5
57.07082	2.0
59.05005	1.2
65.03923	2.0
67.05511	35.8
69.03428	2.9
69.07070	16.7
71.04988	3.6
78.04712	1.2
79.05073	2.0
79.05500	24.5
81.03436	2.6
81.07061	36.4
83.04984	3.6
83.08627	12.5
85.06557	2.9
91.05486	24.2
91.06023	2.0
93.07052	22.5
95.04987	2.2
95.08617	24.1
97.06554	6.3
97.10165	9.3
98.20723	2.2
105.07042	20.4
107.04988	2.1
107.08613	18.1
109.06513	3.1
109.10174	18.9
111.08117	2.7
113.06004	1.2
115.05467	2.3
117.07010	12.4
119.08591	19.7
121.06509	1.6
121.10161	10.4
123.08091	1.5
123.11709	9.7
125.09657	7.2
128.06236	4.6
129.07027	13.0
130.07857	1.5
131.08578	19.9
133.10146	18.6
135.08089	2.3
135.11705	6.5
141.06990	4.2
142.07779	2.2
143.08566	17.9
144.09277	1.4
145.10138	18.0
147.08067	2.2
147.11700	9.4
149.09637	3.8
149.13264	3.3
151.11156	2.0
153.06956	1.7
154.07820	1.4
155.08545	10.5
156.09291	2.0
157.10136	15.8
159.11693	12.0
161.09595	1.7
161.13213	5.3
163.11183	2.5
163.14835	1.4
165.07066	1.5
167.08623	4.4
168.09377	1.3
169.10144	12.6
171.10231	2.0
171.11691	12.3
173.13271	9.3
175.11183	1.8
175.14861	3.0
179.08595	2.5
181.10164	7.5
182.10947	1.8
183.11722	12.6
185.13260	11.6
187.13327	2.6
187.14888	3.2
189.11232	3.0
189.16397	1.8
193.10147	2.8
195.11737	8.2
196.12537	1.6
197.13293	8.4
197.14955	1.5
199.14832	5.7
201.16322	1.5
207.11752	3.2
209.13281	7.4
211.14772	6.5
213.16443	4.9
221.13280	3.5
223.14877	4.9
225.16368	6.8
227.12839	4.9
227.18056	2.3
229.14314	1.3
233.13292	2.1
235.14839	2.6
237.16452	3.3
239.18076	3.7
241.19566	3.4
243.15865	2.8
249.16324	1.8
251.17908	1.4
253.19688	2.7
257.19150	2.4
259.20679	3.9
263.18158	2.1
271.20804	1.2
273.18640	1.4
275.20129	4.8
277.19293	1.2
279.78720	1.1
325.21600	1.5
327.23047	1.5
333.24469	1.9
345.26334	1.2
349.23730	5.4
363.26746	2.4
365.28595	5.0
379.30396	1.5
381.31796	2.9
383.29517	1.8
389.38461	1.2
403.29572	1.7
421.31299	3.5
433.19843	1.4
439.32285	3.2
495.34988	2.0
513.35767	17.6
515.39020	6.3
527.37219	2.4
533.40247	8.5
551.40912	5.0
556.37085	1.5
589.43066	1.7
607.43573	38.1
625.27686	5.2
625.44684	100.0
626.45087	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01877	24.3
55.05513	23.1
57.03439	7.9
57.07072	2.6
59.00355	1.3
59.84724	1.3
65.03933	3.8
65.07432	1.2
67.05508	49.2
69.03421	1.6
69.07070	56.1
71.04986	3.4
71.53017	2.5
72.22271	1.7
79.05499	37.9
79.05925	1.4
81.03411	5.8
81.07058	52.3
83.04983	5.8
83.08624	8.8
85.06537	1.8
91.05485	52.1
93.07047	36.9
95.01323	3.3
95.04967	10.8
95.08612	33.2
97.06533	31.2
97.10194	7.2
99.08120	3.2
103.05477	1.6
105.04494	1.7
105.07035	60.2
107.04971	12.0
107.08585	23.9
108.66253	1.3
109.06532	5.6
109.10166	13.6
111.08076	3.1
117.07021	19.7
119.08583	40.8
121.06502	3.7
121.10140	13.1
121.39706	1.3
123.08101	5.5
123.11720	3.6
125.09637	5.5
128.06230	3.3
129.07001	15.6
130.07787	1.5
131.08577	33.4
133.06474	1.9
133.10127	30.1
135.08083	5.0
135.11687	11.3
137.09605	2.1
141.06996	8.5
142.07748	3.1
143.08562	22.3
144.09348	2.1
145.06474	1.8
145.10132	28.3
146.76895	1.5
147.08038	3.3
147.11694	21.8
149.09624	8.0
149.13284	5.1
151.11145	1.8
155.08554	12.8
156.09386	2.6
156.19960	1.5
157.10136	21.2
159.11710	26.0
161.09677	1.8
161.13260	16.7
163.11214	5.3
163.14841	2.9
165.09167	2.2
167.08585	4.4
168.09419	1.7
169.10132	14.6
171.08086	1.3
171.10262	3.2
171.11673	22.3
173.09790	1.9
173.13274	14.0
175.11189	3.0
175.14854	8.8
177.12790	3.5
179.08600	2.9
179.14314	6.3
181.10127	8.6
183.11710	15.1
185.09654	2.2
185.13263	15.0
187.11261	3.4
187.14822	7.5
193.10176	2.0
195.11739	7.1
197.13242	7.9
199.11221	2.6
199.14870	7.3
201.16451	3.4
207.11676	3.0
209.13234	4.3
211.14876	5.4
213.16457	4.4
215.17998	3.4
217.19516	1.8
221.13237	2.2
223.14862	4.4
225.16435	4.1
227.18068	1.9
229.19432	1.9
231.17442	2.0
231.21025	1.5
237.16476	3.8
239.17851	3.0
241.19511	13.2
249.16550	1.5
251.18044	3.1
255.21321	1.4
257.19000	8.9
259.20602	20.4
263.18079	2.0
273.18597	2.7
275.20105	37.0
277.21710	3.2
279.16171	2.3
283.20541	1.8
291.19504	3.0
293.21188	4.4
295.78442	1.5
297.22028	1.9
298.13272	1.5
303.06366	1.4
309.22134	2.1
313.21570	2.3
313.25195	1.6
315.23248	3.6
333.24255	22.2
339.23145	1.8
349.23724	27.3
407.29694	2.3
409.31146	2.0
419.33057	2.9
421.31119	2.5
435.32541	7.2
437.34351	12.1
455.34808	2.0
483.34589	2.0
493.36395	2.8
495.34726	1.7
501.35583	2.3
509.36121	2.4
511.37817	13.4
513.35687	7.5
515.39056	4.2
527.37384	7.8
529.39044	5.3
533.39960	9.0
551.40979	9.0
555.36981	2.8
556.37347	3.8
565.27704	2.7
589.42523	2.2
597.44818	2.0
607.25739	2.1
607.43585	66.5
608.26361	6.0
625.29639	14.0
625.44598	100.0
626.44916	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	626.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.1
53.08544	6.1
55.05503	39.3
57.03425	16.2
57.07070	11.2
59.04948	8.1
67.05505	88.8
69.07066	35.7
71.04996	7.4
71.53158	11.8
71.53513	7.4
79.05059	10.4
79.05489	75.6
80.05775	7.1
81.03421	52.8
81.07063	100.0
83.04964	13.6
83.08611	28.2
84.56313	6.7
85.02896	11.8
85.06536	8.4
91.05484	60.0
92.05807	10.6
93.07045	60.9
95.04949	18.9
95.08614	67.2
97.06520	12.3
97.10167	19.5
105.07047	55.3
107.08616	40.9
109.06487	11.5
109.10132	24.4
111.08087	16.5
117.07009	23.7
119.08584	49.5
121.10149	29.6
123.11698	19.9
125.09639	8.9
129.07014	23.0
130.95805	7.0
131.08534	27.8
131.85896	6.7
133.10156	38.8
135.11667	21.8
143.08517	16.4
145.10098	25.1
147.11671	25.7
149.09613	10.2
149.13278	10.4
155.08594	8.1
157.10126	28.2
157.52701	6.4
159.11702	14.0
161.13286	8.1
163.11093	10.5
163.14865	9.5
164.07150	11.4
171.11687	15.1
172.12025	10.0
173.13390	13.6
174.72675	7.1
175.11171	8.5
183.11722	14.9
187.14835	6.9
190.08658	13.1
193.12247	35.1
197.13290	11.7
199.14702	8.2
208.09612	14.9
211.13263	68.5
213.59549	6.5
227.12584	9.2
243.21034	19.2
259.20297	6.5
261.22116	41.6
267.15979	40.4
275.20142	9.0
285.16946	84.8
299.23657	8.4
317.24759	9.6
335.25839	66.6
380.41211	7.5
435.32480	16.6
453.33710	16.6
514.35791	15.2
516.39490	10.9
527.37183	40.3
541.34912	17.0
545.38507	52.5
608.44086	41.5
626.45050	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01865	0.5
57.03432	0.6
58.74449	0.2
61.02924	1.0
68.99793	0.4
69.03435	2.6
70.06606	0.2
71.03410	0.2
71.04985	0.3
73.02914	0.4
79.78139	0.1
81.03419	1.2
85.02908	6.6
87.04469	0.2
89.51238	0.1
91.03964	0.4
93.03396	0.2
95.04956	0.2
97.02901	1.9
99.04425	0.6
107.04980	0.5
109.02845	0.8
111.00803	0.8
111.04446	0.2
119.04968	0.2
121.02873	0.6
123.04404	0.3
127.03905	1.4
135.04419	0.4
137.01384	0.2
137.02350	2.8
137.06003	0.7
145.04951	1.1
147.04425	0.3
149.02356	0.5
153.01849	2.7
161.06010	0.3
163.03902	2.8
164.04237	0.8
165.01839	1.8
166.02708	0.2
173.05983	0.2
177.05440	0.2
183.02905	0.6
183.04355	0.2
187.04030	0.2
187.67621	0.2
188.85156	0.2
195.02850	0.2
201.05511	1.3
205.04984	0.2
207.02859	0.2
228.04146	0.2
229.04974	3.5
232.03612	0.2
247.06004	0.6
257.04492	2.6
274.04712	0.6
285.03961	1.5
303.04987	100.0
304.05270	0.7
315.05225	0.2
325.09042	0.2
326.09772	0.2
345.06015	0.2
465.10309	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	627.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64740	0.4
67.05511	0.9
69.23840	0.8
69.24239	2.7
77.01942	0.4
79.90853	0.4
93.07052	0.4
105.06985	0.5
176.86812	0.4
343.34900	0.5
396.13345	0.5
397.13190	0.5
407.11295	0.4
408.12314	1.2
409.13434	0.7
410.14691	1.4
411.15005	1.3
414.14590	1.1
421.13171	1.7
422.13898	4.6
423.14609	4.5
424.15976	1.6
425.16235	1.2
426.16977	1.5
427.14178	0.6
428.16461	1.1
429.16895	0.8
435.14911	2.5
436.15607	3.2
437.16367	9.2
438.17081	2.3
439.17844	1.2
441.14615	1.0
441.20419	2.8
442.18082	0.7
447.14767	0.5
449.16357	2.1
450.17526	2.1
451.17783	3.6
452.19302	2.3
453.15826	0.6
454.16684	1.0
455.17032	1.9
456.17917	0.6
457.16342	0.8
458.15964	0.7
463.13742	0.9
464.14966	1.4
465.15732	3.2
465.20471	1.1
466.16034	0.7
467.17322	1.4
469.14667	1.6
469.19171	2.0
476.15421	0.6
478.16409	1.8
479.17407	2.9
480.18179	4.0
481.15253	1.3
482.15897	1.5
483.20816	1.1
484.17770	0.9
490.16553	0.7
491.13699	0.6
492.16360	0.8
493.19601	3.3
494.14832	2.0
495.16476	5.1
496.17392	1.6
497.18170	1.7
498.15256	3.8
506.16013	1.9
507.16599	1.5
508.17392	6.7
509.18414	0.7
510.19894	3.9
511.19611	1.7
512.16193	3.4
521.18390	9.2
522.14948	8.3
523.18610	0.7
524.17657	0.5
525.17773	6.2
526.14636	3.4
533.18048	0.8
535.16052	0.9
536.17468	0.5
538.18719	1.6
539.19434	3.8
549.17914	1.5
551.19220	2.8
567.18823	55.1
568.19031	1.3
577.17529	0.7
585.19928	3.6
595.18207	4.6
608.21399	4.8
627.20905	100.0
628.21161	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26994	0.5
55.05490	0.8
57.03402	0.7
67.05502	2.7
69.07042	1.0
77.97791	0.4
79.05500	2.4
81.07059	3.2
83.04952	0.5
83.08585	0.5
91.05463	2.4
93.07063	2.6
95.08552	1.6
97.06499	0.7
99.08057	0.5
105.06988	2.0
107.04948	0.8
107.08567	1.6
109.06476	0.6
109.10134	1.0
117.07021	0.5
119.08598	1.0
121.10115	0.9
123.11692	0.5
131.08528	0.7
132.02261	0.5
133.10088	0.8
135.11661	0.9
138.16412	0.5
138.72469	0.5
143.08504	0.6
145.10092	0.8
147.11642	0.7
157.10095	0.6
159.11632	0.6
161.13376	0.7
163.11157	0.6
185.13176	0.8
200.82771	0.5
204.95152	0.5
229.67245	0.5
275.19940	1.4
296.34180	0.6
305.77991	0.5
316.51974	0.5
335.25705	0.8
410.14612	0.8
421.13223	1.0
422.13943	1.2
423.14584	1.5
424.16037	0.8
428.16034	0.9
435.14609	1.4
436.15622	2.8
437.16312	6.4
438.17194	2.1
439.18378	1.1
441.15741	1.1
442.17825	0.6
443.18478	0.8
449.16107	3.1
450.16840	6.0
451.17776	22.0
452.18600	3.5
453.20169	0.8
454.15872	0.5
455.16907	4.0
463.12665	0.6
463.18338	1.0
464.18631	5.4
465.19675	9.5
466.20688	7.7
467.16373	3.4
470.19733	2.2
477.15939	1.5
478.16086	5.4
479.16486	2.4
479.20929	6.9
480.22327	3.4
481.18491	10.6
482.19858	1.1
484.17404	2.9
491.17297	0.7
492.17957	4.1
493.19376	4.0
494.19586	13.1
495.20563	6.4
496.17300	3.1
497.19022	0.6
498.19049	4.0
507.20370	18.1
508.17755	8.8
509.17847	1.0
510.18918	2.4
511.19693	0.9
512.16895	4.8
524.20520	1.6
525.21167	1.5
526.18854	1.0
535.19952	2.2
539.22766	4.7
567.22406	80.3
568.22955	2.1
585.23413	5.8
595.21674	2.1
608.25232	5.0
609.45087	1.4
627.24475	100.0
627.45508	2.3
628.24402	2.9
636.82654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01873	11.3
55.05278	2.3
55.05517	31.1
57.03442	13.5
57.07073	7.5
57.97691	1.8
58.06587	2.2
65.03936	5.0
67.05510	74.4
68.05826	1.8
69.07074	28.9
71.04994	5.0
71.08638	58.3
77.85592	1.7
79.05499	55.9
81.03435	5.6
81.07059	78.4
82.07372	2.1
83.04990	7.9
83.08614	17.8
84.71507	1.6
85.06577	4.2
91.04906	2.6
91.05487	65.9
93.07047	74.3
95.01373	2.1
95.04989	9.9
95.08608	55.1
97.06538	20.0
97.10184	4.8
99.08092	34.3
103.05536	2.5
105.07034	64.3
107.04953	10.4
107.08595	38.1
109.06516	3.9
109.10158	20.6
111.08102	3.6
115.05466	3.7
117.07034	24.3
119.08585	49.1
120.08978	1.8
121.06530	2.1
121.10147	29.1
123.08067	4.6
123.11721	3.2
125.09651	4.6
128.06149	2.3
129.07011	18.2
131.08569	41.9
133.10120	35.9
135.08095	4.9
135.11696	27.2
137.09610	3.5
137.13313	2.6
141.06999	3.5
142.07834	2.5
143.08574	22.1
145.10132	31.7
146.10524	2.9
147.11693	27.0
149.09616	4.5
149.13287	15.9
151.11223	13.2
155.08569	9.9
157.10121	21.3
158.10730	1.9
159.11682	31.0
161.09686	2.3
161.13263	26.5
163.11197	6.0
163.14861	5.1
167.08556	3.7
169.10126	15.2
171.11674	21.5
173.11871	3.4
173.13304	16.6
175.14822	9.2
177.12761	4.9
179.14320	33.0
181.10143	5.2
183.11737	9.3
185.13286	14.5
187.14845	5.8
187.85406	1.9
195.11774	6.1
197.13330	8.4
199.14870	7.8
201.16478	5.1
209.13295	2.8
211.14827	2.8
213.16367	4.7
215.18005	2.8
219.17426	3.7
221.15303	2.2
223.14911	4.2
225.16489	4.0
231.20924	2.3
235.14876	2.4
237.16492	3.3
241.19521	20.4
243.21066	2.6
251.18060	2.5
257.19098	8.1
259.20593	29.9
261.22238	3.3
273.18552	2.9
275.20068	19.4
277.21683	35.9
283.20721	3.1
285.22159	1.9
293.21252	3.3
295.22833	3.0
297.22195	3.1
314.27856	2.9
315.23166	5.5
333.24277	27.2
335.25735	16.3
336.26093	4.3
337.26312	2.1
348.70554	2.1
349.23782	11.0
351.25290	34.6
382.46097	2.2
419.33109	4.4
435.32523	3.6
437.34250	19.5
493.36795	2.4
507.41638	2.2
509.36591	2.3
511.37866	15.8
513.35657	4.5
517.40411	9.0
527.37366	2.4
529.39203	5.2
535.41724	7.0
553.42578	7.5
591.44574	3.0
609.45172	80.2
609.85748	2.0
627.27899	5.4
627.46265	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	629.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
55.05499	1.1
57.03428	3.0
65.03931	1.3
67.05497	3.2
68.99792	1.8
69.03435	14.8
70.67934	2.2
71.04991	1.2
72.08165	0.9
73.02911	1.6
79.05505	4.5
81.03404	2.7
81.07057	11.1
83.04971	8.8
85.02910	8.6
87.04488	2.4
91.05494	5.0
93.07030	1.7
95.04969	6.8
97.02891	54.0
105.07063	1.0
107.04959	5.9
109.02881	1.3
109.06518	21.9
111.04447	3.5
113.02367	5.6
114.74904	0.9
115.03927	6.9
119.04938	5.0
121.06496	6.9
123.04413	3.2
125.02353	1.8
125.05944	1.7
127.03922	2.2
127.07577	1.4
133.06451	1.9
135.04411	1.8
137.05977	100.0
139.07535	2.0
143.03401	4.3
147.04440	2.1
149.05972	1.3
155.07059	10.8
159.07970	0.9
161.04445	6.1
161.05840	1.9
163.03865	4.5
163.07549	1.3
165.05446	10.0
167.07091	1.9
175.07558	1.1
183.06648	1.2
187.07526	2.2
191.07042	2.8
205.08588	2.1
215.07039	2.6
233.08046	7.9
251.09137	19.6
261.07736	1.2
267.08612	8.2
269.10214	2.9
279.08643	3.4
297.09671	15.6
315.10706	7.4
373.12509	1.0
375.96545	0.9
406.14694	1.0
433.15131	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01869	4.0
55.05494	0.8
57.03424	2.9
61.02907	0.8
65.03928	0.9
67.05501	2.8
68.34887	0.6
68.99791	2.2
69.03434	15.1
69.17935	6.8
71.01341	0.9
71.04990	1.0
73.02912	1.7
79.05490	5.4
81.03417	1.8
81.07063	9.6
83.01338	1.3
83.04984	6.7
85.02900	7.1
87.04469	1.5
91.05491	6.9
93.07058	2.1
95.04979	6.2
97.02896	44.9
101.02376	1.8
103.05454	1.3
105.07041	1.8
107.04958	7.4
109.02884	0.7
109.06517	19.4
111.04443	3.6
113.02377	4.2
113.06039	1.2
115.03947	7.0
115.05440	0.9
119.04947	5.4
121.06507	8.8
123.04447	2.3
125.02353	1.8
125.06004	1.6
127.03902	1.6
127.07564	1.1
131.04857	0.9
131.08582	0.7
133.06505	2.7
135.04437	1.3
136.05217	1.1
136.14467	0.6
137.05981	100.0
139.03886	0.9
139.07553	6.4
143.03416	4.9
145.06487	1.1
147.04396	1.6
149.06039	1.8
151.03871	1.1
155.07050	13.2
159.08090	1.1
161.04482	7.6
161.05983	4.9
163.03911	2.8
163.07549	0.7
165.05475	10.4
167.07069	1.3
169.05011	1.1
173.06012	1.7
173.08124	0.7
177.05414	0.9
177.09102	0.9
179.06992	1.5
183.06570	1.4
187.07562	0.7
191.07025	1.3
205.08594	2.2
207.06436	0.8
215.07066	1.3
219.06487	1.3
233.08061	5.6
237.07571	0.8
251.09155	14.8
261.07620	1.0
267.08652	5.8
268.22592	0.7
269.10272	3.2
270.79285	0.6
279.08633	3.1
297.09665	10.7
315.10770	6.4
351.11108	0.7
622.45068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.225
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
67.05498	1.0
70.86766	0.9
70.87125	0.5
79.05485	0.7
81.07073	0.7
93.07044	0.8
105.07028	1.1
119.08579	0.7
126.66776	0.5
132.95015	0.6
148.83679	0.6
204.64908	0.7
350.66241	0.6
397.12982	2.0
398.13812	1.0
399.14572	1.4
400.15286	1.4
409.12778	1.0
410.13989	2.2
411.14621	7.3
412.15350	5.9
413.16074	4.5
423.14774	1.7
424.10889	0.9
424.15601	2.4
424.53229	0.6
425.16339	16.9
426.17029	9.0
427.17929	2.8
428.18604	4.5
429.19647	0.7
438.12292	3.2
438.18134	0.8
439.13687	21.0
440.19189	7.7
441.19327	42.8
442.12161	0.5
442.19653	1.5
452.14426	3.1
453.15356	24.1
454.15649	5.6
455.21417	1.2
456.18030	1.2
457.18561	0.8
463.14056	1.3
464.14200	0.6
466.16537	1.5
467.17194	31.3
468.17947	20.9
469.18900	13.1
471.16330	1.4
472.17776	0.7
480.17081	1.1
481.14655	11.8
482.14880	0.9
482.20993	0.8
484.22095	3.4
485.18118	0.6
485.22699	1.3
486.19235	0.7
495.16986	2.7
496.17160	12.8
497.18030	2.0
498.19171	1.4
499.20163	1.3
500.21063	5.0
508.19617	1.0
509.18570	1.7
511.19855	0.9
512.21033	3.3
513.21869	7.6
514.22034	1.3
523.19727	1.7
526.18060	0.9
528.20123	1.1
537.18378	1.5
541.20911	44.7
542.21027	1.8
551.18726	0.8
553.20575	1.3
554.17810	1.1
569.20337	100.0
570.20428	4.4
572.19226	1.2
573.23425	2.2
597.19775	33.8
598.19989	1.2
600.22363	0.9
601.23071	14.2
615.20947	1.0
619.90582	0.7
629.22351	92.5
630.22461	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	629.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63583	0.4
55.05485	0.6
57.07046	0.6
67.05479	0.9
69.07057	0.8
71.51927	0.4
79.05444	0.6
79.95142	0.5
81.07021	1.2
87.39679	0.4
91.05442	0.5
93.07007	1.4
95.08555	0.7
105.06978	1.0
109.10143	0.5
119.08598	0.7
133.10089	0.6
135.11700	0.5
159.11661	0.6
177.05345	0.4
182.81931	0.4
213.72015	0.4
410.13583	0.5
411.14575	1.1
412.15335	0.7
424.15384	1.6
425.16217	4.6
426.12122	0.5
426.16888	2.6
427.17621	2.6
438.17340	1.1
439.18066	9.8
440.18536	8.3
441.18939	2.1
442.20001	1.3
452.14182	4.8
453.15533	32.9
454.15463	1.7
454.20163	3.7
455.20908	37.1
456.21194	2.9
465.15659	0.8
466.15430	2.1
467.17068	34.9
468.17697	11.0
471.17010	0.5
481.18475	6.8
482.19305	34.8
483.20013	3.5
485.18295	1.2
486.19098	0.5
494.19049	1.0
495.20273	1.5
496.21127	0.4
508.19644	1.1
509.21640	2.1
510.22482	0.5
511.19482	0.8
512.20343	0.9
513.21667	1.2
514.21802	1.5
523.20978	1.3
526.22162	1.0
528.23639	3.9
541.24988	3.6
542.24976	0.7
553.22211	1.8
554.21460	0.9
569.24023	100.0
570.24377	3.3
597.23541	1.9
600.22400	3.0
601.26709	3.7
629.25989	90.5
630.26648	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	629.2728
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
55.05523	0.2
67.05499	0.7
69.07040	0.4
69.81264	0.7
69.81675	0.4
71.08630	0.4
77.95801	0.2
79.05508	0.5
81.07047	0.6
89.06044	0.6
91.05504	0.5
91.07940	0.2
93.07056	0.4
95.08604	0.4
98.20752	0.2
99.25642	0.2
109.10187	0.2
110.25970	0.2
119.08566	0.3
121.10159	0.3
133.08629	0.3
145.10184	0.2
156.19542	0.2
157.16257	0.2
179.14322	0.2
184.27301	0.2
225.94095	0.2
277.21655	0.3
277.37997	0.2
278.22018	0.2
335.26111	0.2
357.53760	0.2
432.86456	0.2
611.46564	0.5
629.27362	100.0
630.27625	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	629.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36541	1.1
57.07070	1.4
67.05502	1.6
69.68404	7.7
79.05499	1.5
83.08629	1.4
83.27551	1.2
86.36401	1.1
89.06029	1.4
91.05495	1.3
96.95211	1.1
98.21495	2.2
137.96953	1.3
174.46884	1.3
204.32701	1.3
238.97768	1.3
317.20801	3.1
373.23605	2.3
375.72888	1.3
500.44775	1.4
629.47504	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	629.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.7
55.01868	8.7
55.05513	28.8
57.03426	6.5
57.07082	11.7
65.03932	4.1
67.05509	73.4
69.07073	24.9
69.50865	5.5
69.51273	7.5
71.04987	2.1
71.08635	21.3
79.05495	42.2
81.03427	3.4
81.07061	69.5
83.04974	6.7
83.08625	19.2
85.06537	4.2
85.10197	6.2
89.06059	7.3
89.16489	1.7
91.05486	35.4
93.07046	50.5
95.04991	8.1
95.08612	47.1
96.51624	2.2
97.06541	7.8
97.10178	8.1
99.08092	13.4
105.07042	37.2
107.04936	2.5
107.08590	24.3
109.06527	2.9
109.10168	23.8
111.08102	5.6
113.09653	3.9
117.07035	16.9
119.08585	33.2
121.06532	5.0
121.10149	17.9
123.08076	4.4
123.11727	9.2
125.09638	4.4
129.07036	7.8
131.08583	29.6
133.08583	3.8
133.10138	17.6
135.11720	10.5
137.09697	3.2
139.11238	2.8
141.06996	3.0
143.08559	14.8
145.00238	1.9
145.10132	24.8
147.11703	17.2
149.09644	3.1
149.13287	9.3
151.11186	4.1
155.08597	6.1
157.10095	10.7
159.11693	12.6
161.13266	11.4
163.11237	3.8
163.14853	4.3
165.12799	3.2
169.10139	9.1
171.11722	9.0
173.11885	2.8
173.13231	9.5
175.14841	6.8
177.11259	2.7
177.12799	3.6
181.10152	4.4
183.11697	4.3
185.13223	9.9
187.14886	8.0
195.11682	2.4
197.13329	4.7
199.14885	7.1
201.16408	6.2
209.13286	3.2
211.14876	2.8
213.16422	6.7
215.17958	2.3
223.14815	2.5
225.16451	3.0
227.12868	2.9
229.14297	2.7
229.19608	2.5
231.21016	1.9
243.21053	4.5
255.21103	2.3
257.19000	2.1
261.22186	4.5
265.21805	4.5
267.15881	2.7
268.16193	3.3
273.22208	4.7
275.20282	2.9
277.21707	6.9
289.21552	2.2
291.23386	2.7
299.23428	1.9
303.23257	3.0
317.24860	2.9
335.25916	6.1
338.27954	2.3
349.24258	2.5
351.25494	5.4
383.33466	3.4
411.32593	2.1
423.32410	2.4
425.34268	5.4
437.33994	2.0
439.35681	3.4
443.35336	2.5
497.36383	4.3
499.37930	2.9
511.37201	2.1
513.39691	6.4
515.37317	30.7
517.38861	3.9
519.42072	4.1
529.38782	20.0
531.39368	2.4
537.42938	9.2
543.40802	5.1
555.44385	9.9
593.45813	3.1
601.49030	2.6
611.46765	73.2
629.47772	100.0
630.47919	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
51.02372	1.7
53.03945	6.1
55.01868	4.2
55.05511	24.7
57.03440	9.3
57.07074	5.6
65.03938	4.0
67.05507	73.7
69.03419	1.1
69.07068	23.2
69.16708	2.4
69.17113	9.9
71.04994	2.6
71.08633	48.8
73.06544	1.1
75.04494	1.1
77.03913	2.4
79.05496	72.5
81.03407	6.1
81.07060	79.0
82.07364	1.3
83.04992	8.9
83.08620	14.5
83.77531	1.1
85.06535	3.5
85.10160	1.7
87.32005	1.2
89.06049	2.1
91.05484	51.0
93.07047	95.2
95.04977	9.2
95.08611	60.6
96.08974	1.2
97.06548	8.5
97.10168	7.9
97.28068	1.3
99.08099	30.2
103.05476	1.3
105.04536	2.4
105.07034	34.2
107.04952	8.2
107.08597	47.3
109.06512	4.4
109.10164	19.0
111.08083	3.2
113.09647	4.5
115.05436	1.5
117.07018	14.9
119.08588	26.1
119.12405	1.2
121.06519	2.1
121.10146	37.1
123.08091	2.7
123.11699	5.0
125.09650	1.4
129.06999	6.0
131.08566	21.0
133.10139	20.2
135.08066	2.2
135.11696	35.9
137.09602	3.5
137.13277	3.0
139.11108	1.4
141.07047	1.6
141.09119	4.6
143.08559	4.3
145.10123	14.1
147.11694	12.6
149.09627	3.1
149.13249	15.5
151.11203	16.9
152.06107	1.1
153.12700	1.4
155.08585	1.9
157.10118	4.2
159.11678	9.7
161.13264	16.2
163.11148	5.7
163.13602	1.1
163.14815	6.9
165.12749	1.9
167.10698	1.1
169.10158	1.6
171.11688	7.0
173.11887	1.8
173.13280	8.5
175.14853	3.3
177.12775	4.9
177.16364	3.7
179.14314	71.2
181.10136	1.6
183.11607	1.5
185.13258	5.6
187.14758	3.3
189.12769	4.7
189.16414	1.9
191.14160	1.1
195.13919	1.5
197.13226	2.1
199.14879	2.6
201.16376	2.6
203.14409	2.1
213.16356	1.6
219.17506	2.8
219.21065	1.4
220.17860	1.7
221.15413	2.7
225.16467	1.9
233.22630	1.3
235.16998	3.4
241.19473	3.8
243.21130	13.0
249.22331	1.1
259.20584	3.4
261.22137	16.0
275.20071	1.7
277.21619	58.8
295.22647	4.6
317.24817	11.1
331.26273	1.4
335.25827	62.1
336.26199	3.0
337.26663	1.8
351.25314	50.2
437.34155	1.2
439.35547	2.3
457.36758	2.4
485.36154	1.3
503.37802	1.2
513.39502	9.1
515.37012	5.7
529.38953	2.7
531.40118	3.3
537.42755	2.4
555.44287	1.8
593.45624	1.8
611.46704	100.0
612.47162	2.1
629.47699	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	630.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	6.2
58.06596	1.1
59.78540	0.6
65.03957	0.7
65.47207	0.6
67.05505	0.7
68.62640	0.6
70.06602	13.9
71.08647	1.4
71.18204	1.2
81.03403	0.6
81.07077	0.8
84.08151	0.6
84.25259	0.6
85.10204	0.8
88.07638	19.3
91.05499	1.3
102.09180	14.6
105.03363	1.2
107.08646	1.0
108.12746	0.7
119.08610	1.2
136.02104	0.7
149.02356	34.1
149.03413	1.7
175.03941	1.6
184.20627	0.9
193.04977	41.9
194.43596	0.6
197.06276	0.8
219.06541	1.0
228.23238	43.7
234.76772	0.7
237.07584	12.7
269.04517	1.0
297.03928	1.7
313.07114	1.4
341.06546	8.8
359.07608	6.4
385.09180	17.6
429.11865	23.9
538.89978	0.7
559.23529	0.7
592.75647	0.7
607.07867	1.0
612.31543	1.4
630.32770	100.0
631.33234	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01865	2.5
55.05518	0.9
57.03431	1.1
57.53793	0.4
65.03940	0.6
67.05502	2.8
68.99796	1.6
69.03438	8.1
69.07065	0.5
70.15118	1.2
71.01347	0.9
73.02917	1.1
78.83910	0.4
79.05498	3.9
81.03413	1.5
81.07063	10.5
83.04981	8.2
85.02917	3.3
87.04469	1.3
91.05500	4.1
93.07049	0.9
94.04178	0.4
95.04980	7.1
95.08641	0.6
97.02906	7.9
97.06536	0.7
97.18368	0.3
98.20860	0.5
98.42459	0.4
103.05444	0.5
105.07045	0.6
107.04961	5.9
109.02866	0.5
109.06525	21.6
111.04429	2.3
113.02395	4.0
113.06027	0.7
114.23474	0.4
115.03932	1.8
115.05502	0.4
117.07006	0.9
119.04942	2.9
121.06506	4.3
123.04435	2.1
125.02336	0.9
125.06005	2.3
127.03937	2.1
127.07560	0.7
128.06241	0.4
131.08569	0.6
133.06534	1.1
135.04469	0.6
136.05211	0.6
137.05986	100.0
138.06317	0.5
139.07581	1.4
143.03423	1.3
145.06516	1.0
147.04431	0.5
147.08067	0.5
149.06003	1.1
155.07053	8.4
159.08069	1.0
161.04472	1.1
161.05986	1.4
163.07571	0.9
165.05502	4.8
167.07121	0.8
173.06030	0.7
175.07594	0.6
177.09111	0.6
179.07074	0.8
183.06544	0.9
187.07529	1.3
189.05562	0.5
191.07104	2.2
203.07025	0.9
205.08717	1.9
213.07553	0.5
215.07076	1.6
219.06660	0.8
221.08018	1.0
223.09848	0.5
233.08069	5.1
239.09105	0.6
249.07672	0.6
251.09157	13.9
257.21555	0.4
261.07574	0.9
267.08655	7.2
269.10233	2.0
279.08746	2.3
297.06345	0.6
297.09705	8.9
315.10748	9.2
315.14063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01633	0.9
55.01877	13.1
55.05513	1.1
56.35664	0.5
57.03441	1.7
61.02927	1.1
65.03926	1.4
67.05495	2.8
68.99786	2.2
69.03435	11.1
69.07066	1.6
71.01347	1.1
71.04981	1.2
71.51957	0.9
73.02902	2.4
79.05499	7.4
80.04581	0.6
81.03403	2.7
81.07063	14.0
83.01341	0.7
83.04990	5.4
85.02913	8.7
85.06534	1.9
91.05482	8.1
93.07047	6.9
95.01340	0.7
95.04964	6.9
97.02899	7.6
97.06528	3.1
99.04465	1.7
101.02397	1.0
103.04000	0.8
103.05486	2.7
105.04481	0.6
105.07042	1.5
107.04967	9.1
108.77999	0.6
109.02861	1.8
109.06525	22.7
111.04454	3.6
111.08089	2.1
113.02386	5.1
113.06010	1.3
115.03902	0.9
117.06950	0.8
119.04932	4.7
121.06506	38.2
123.04488	1.4
125.02366	1.4
125.05997	1.8
127.03929	1.4
127.07549	1.9
131.03394	1.3
133.06497	1.8
135.04413	1.4
135.08099	0.7
136.62775	0.6
137.05984	100.0
139.07544	54.3
139.09135	0.9
143.03416	3.0
145.06473	1.1
147.04425	1.4
149.04413	0.8
149.06021	1.0
153.05472	1.4
155.07040	11.1
157.08604	6.4
158.07021	0.7
158.99678	0.7
159.08069	0.7
161.04456	2.7
161.05965	3.9
162.05470	0.9
163.03996	1.0
163.07468	0.8
165.05469	3.1
177.05450	1.5
179.07072	1.6
182.24507	0.6
183.06567	0.9
187.07610	1.6
190.04977	0.9
191.07082	0.8
203.07018	1.2
205.08676	1.2
209.08069	0.7
215.06953	1.4
219.10216	1.9
221.08112	1.4
231.06624	0.7
233.08145	5.8
239.09149	1.9
241.10744	1.2
249.07642	0.8
251.09161	7.7
261.07745	1.0
267.08606	7.8
269.10263	2.6
279.08603	3.9
287.11301	1.2
297.09708	7.5
309.13266	1.6
313.10782	2.1
315.10663	6.0
343.11935	0.8
403.13992	1.8
433.15146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01875	4.3
55.05504	0.6
57.03440	0.9
65.03916	0.8
67.05504	2.7
68.99791	1.7
69.03432	9.9
70.42226	1.1
73.02913	1.2
79.05491	5.1
81.03415	1.6
81.07063	10.9
83.04988	7.4
85.02908	5.3
85.06547	0.6
87.04471	1.0
91.05482	5.7
93.07031	2.7
95.04971	6.9
97.02905	8.7
97.06506	1.0
99.04433	0.9
102.52964	0.5
103.05470	0.5
105.07031	1.9
107.04974	6.3
109.02882	1.3
109.06527	20.1
111.03812	0.4
111.04468	2.6
113.02367	3.7
113.05954	0.9
115.03945	1.3
115.05479	0.6
117.07021	0.6
119.04929	3.9
121.06513	10.8
123.04439	1.8
125.02377	0.8
125.05988	1.6
127.03916	1.7
127.07587	1.2
133.06494	1.9
135.04425	0.9
136.05193	1.0
137.05986	100.0
138.06352	0.7
139.07544	10.6
143.03398	1.7
145.06505	0.6
147.04422	0.9
148.35815	0.5
149.06050	1.2
153.05489	1.3
155.07039	11.1
157.08646	1.0
159.07980	0.7
161.04515	2.2
161.06007	3.4
163.07527	0.7
165.05479	3.9
167.07089	0.9
173.05989	1.0
173.07968	0.8
175.07513	0.9
179.07025	1.6
183.06543	0.7
187.07558	2.0
189.05516	0.7
191.07040	1.8
203.07066	1.3
205.08629	1.3
213.07660	0.6
215.07054	1.6
221.08124	1.3
223.09744	0.7
232.39029	0.5
233.08089	4.6
237.07626	0.6
239.09186	0.6
249.07730	0.8
251.09142	10.8
267.08704	3.8
269.10345	3.4
271.16611	0.5
279.06082	0.5
279.08624	3.0
297.09741	8.7
315.10712	9.1
324.72968	0.5
571.51483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25764	1.2
53.14012	1.3
55.05485	1.6
58.73592	1.3
65.08861	1.4
67.05491	3.1
69.07046	1.6
71.52117	1.5
78.22320	1.4
79.05496	1.8
81.07040	3.7
83.55881	1.2
91.05468	3.4
93.07050	4.1
95.08606	3.8
105.07054	2.3
107.08594	2.4
109.06526	1.6
119.08607	2.3
121.10164	2.9
125.06017	2.2
133.10208	1.9
145.10094	2.7
163.11157	2.1
181.12248	3.9
221.15414	2.0
337.27020	1.6
498.20267	2.0
508.18658	2.8
511.25140	6.5
522.20105	7.6
537.22644	90.3
538.22516	2.3
555.23712	45.5
569.25201	4.2
581.21735	22.1
587.26373	33.2
587.35822	1.7
599.22723	2.9
613.24207	27.3
631.25287	100.0
632.24756	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
54.46674	0.5
55.05502	1.0
67.05513	2.4
69.03437	0.8
69.07077	3.8
69.49437	3.5
78.01781	0.6
79.05498	1.4
79.63101	0.5
80.05028	0.8
81.03418	1.7
81.07071	2.4
83.04987	0.6
83.08620	0.5
84.08155	0.5
85.02908	0.9
90.63664	0.5
91.05489	1.7
93.07059	1.9
94.06576	4.7
95.04968	1.9
95.08604	1.7
97.02922	0.8
97.06541	0.9
99.04465	0.7
104.04984	0.5
105.07037	1.0
106.06569	0.5
107.08620	1.5
108.08141	1.3
109.02901	1.2
109.10181	1.3
110.06120	0.6
112.03989	0.5
112.07613	1.4
116.04990	0.9
117.07040	0.6
118.06555	0.6
119.05007	0.6
119.08611	1.7
121.05231	0.8
121.10177	1.0
122.06045	14.6
123.04504	0.9
124.07629	0.6
125.09708	0.7
126.38017	0.5
127.03938	0.9
131.08568	1.0
133.10175	1.4
134.06036	1.0
135.11679	0.7
137.05998	1.2
140.07080	25.9
142.37648	0.5
144.04488	2.1
145.10141	0.8
146.06013	9.9
146.07121	0.8
147.08162	0.5
147.11678	0.5
148.07590	2.1
151.11223	0.7
152.07100	1.1
159.11702	0.7
160.07643	0.7
161.05949	0.6
162.05579	1.5
163.06300	0.8
167.07167	0.9
172.03958	13.9
172.07617	1.2
173.04778	1.5
174.05527	13.4
176.07101	5.2
182.09682	0.6
186.09187	0.9
190.05014	3.2
191.05791	1.1
192.06581	0.9
196.09962	0.8
197.10718	1.0
199.12328	1.5
204.06584	25.9
206.08150	8.8
210.09285	0.8
210.11258	0.5
211.08759	1.8
212.09424	1.1
213.10329	0.6
216.10353	0.5
224.09523	1.4
225.10277	4.8
226.11020	0.9
227.11823	9.6
231.57019	0.5
236.09398	0.6
237.10260	1.5
238.11057	1.2
239.11859	2.8
241.09685	0.9
243.11383	0.8
249.10196	1.0
251.11897	1.8
253.09778	1.7
253.13519	0.5
255.07701	0.7
255.11435	0.9
261.12512	1.6
263.08243	0.7
264.09094	1.0
265.09656	2.4
266.10614	0.6
267.11313	1.9
269.09753	0.7
269.12875	9.0
271.10834	3.3
277.09808	1.0
278.10413	0.6
279.11313	1.3
283.10791	8.5
284.11530	4.7
285.12335	3.8
287.13928	26.8
295.10721	0.9
297.12469	1.9
300.11768	0.6
301.12253	2.5
313.11835	25.5
314.12943	2.0
315.13797	2.0
316.14548	4.3
323.10413	1.2
324.10907	0.9
326.16623	0.9
328.10992	0.7
328.14389	2.3
329.11804	1.4
329.15399	2.2
330.12375	1.9
330.16138	4.7
331.12976	6.9
331.16916	6.1
332.17596	0.8
338.13013	0.6
341.12320	0.6
342.12457	3.9
342.16211	0.7
342.59772	0.5
343.13293	2.6
344.13898	1.2
344.17697	4.9
345.14505	17.3
346.19263	0.7
354.16052	1.6
355.14041	1.0
356.13980	3.7
357.15094	1.8
358.15472	5.5
363.15604	0.8
369.11136	1.0
370.11768	1.2
370.15665	2.8
371.16782	0.8
372.17093	3.6
374.18747	0.7
380.14020	0.7
382.11871	2.0
383.13086	1.2
384.13403	9.9
385.14090	3.5
386.14508	3.7
386.18997	2.0
388.16833	1.5
390.18158	4.3
391.19058	0.5
394.15588	0.6
396.17126	0.6
398.14993	11.3
399.15842	19.4
400.16583	27.0
401.17456	0.9
402.14502	1.8
403.19156	0.9
412.16507	1.6
414.18253	6.2
415.18762	1.5
416.16205	1.8
417.16916	7.0
418.17722	6.9
422.14932	1.0
430.17725	2.1
431.18451	1.6
440.15918	3.8
442.17932	0.9
444.15677	1.5
458.17160	23.0
459.17917	12.4
460.18457	2.9
490.19797	3.5
491.20392	2.5
555.26086	0.8
557.23669	2.3
581.24036	4.6
599.25055	100.0
600.25537	1.9
613.33978	1.5
631.27136	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	633.3791
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
53.03938	1.4
55.01864	0.8
55.05503	3.5
57.07065	1.5
59.43132	0.8
65.03925	1.7
67.05512	6.9
68.66253	0.7
69.03428	1.7
69.07060	3.2
69.24691	2.9
69.25116	4.8
79.05486	6.7
81.07069	14.0
83.04971	3.4
83.08626	3.0
85.68710	0.8
91.05482	20.2
92.06253	0.8
93.07052	10.9
95.04973	4.4
95.07620	0.8
95.08616	14.9
97.06568	1.1
98.20805	1.5
99.08111	1.3
105.07034	13.0
107.08597	18.5
107.62086	0.8
109.06480	4.0
109.10161	9.0
111.08093	2.3
117.07020	3.1
119.04954	27.1
119.07806	1.5
119.08595	18.3
121.02821	0.9
121.06517	1.6
121.10145	10.8
123.08107	1.2
123.11730	3.6
125.05967	1.1
125.09634	4.2
127.07554	3.9
128.06216	1.7
129.06995	2.7
131.08577	9.0
133.10124	11.8
135.08026	0.8
135.11671	4.9
137.09654	2.4
140.13988	0.7
142.07840	1.2
143.08583	6.6
144.09319	1.6
145.10132	14.8
147.04419	100.0
147.11726	6.2
149.09625	1.3
149.13272	2.5
151.07576	1.6
151.11153	1.4
155.08549	1.3
156.09349	1.3
157.10139	8.6
159.07997	1.0
159.11696	12.0
161.13261	7.1
163.11166	1.6
163.14816	3.1
165.05502	9.1
165.12717	0.9
167.08707	0.9
169.10138	3.9
170.10939	2.1
171.11687	7.2
172.12495	0.9
173.13304	7.4
175.11208	1.0
175.14801	6.5
177.09091	1.4
181.10124	1.4
181.12250	2.0
182.10983	1.1
183.11688	3.6
185.13252	10.9
187.14819	15.0
189.16382	4.8
191.14349	1.7
194.10881	1.0
195.11716	2.1
197.13310	4.4
199.14854	9.7
201.16394	10.8
203.14212	1.5
203.17967	1.1
205.15891	2.7
209.13272	2.2
211.14815	4.6
213.12909	1.4
213.16336	10.2
215.14342	1.5
215.17976	2.2
217.15869	2.8
219.17445	4.2
221.15477	1.1
223.14856	1.7
225.16388	2.5
229.15919	1.0
231.13878	1.2
231.17499	2.2
233.15454	1.6
237.16402	1.3
239.17935	2.0
241.19565	1.7
245.15437	1.7
247.16896	1.3
253.19505	1.5
259.16940	3.3
267.21045	2.0
281.22687	0.8
305.22729	0.8
339.22992	0.8
347.27448	1.2
351.23022	0.9
387.30389	2.3
393.27820	1.1
405.31537	16.9
407.33429	1.1
415.29880	1.2
423.32657	1.9
433.30997	8.6
451.32141	16.6
463.42636	0.9
633.34491	1.1
633.42126	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68417	0.9
53.03936	1.6
55.05505	3.7
57.07069	1.9
65.03938	1.4
65.37315	0.9
67.05500	7.6
69.07058	3.1
71.04995	1.1
77.61362	0.8
79.05492	7.0
81.03412	1.8
81.07066	16.1
81.27174	0.9
83.04961	4.9
83.08607	2.5
91.05479	22.4
93.06503	1.0
93.07053	12.3
95.04951	3.4
95.08617	12.5
97.06519	1.8
97.10183	1.0
98.21510	2.8
99.08078	1.3
99.26969	0.9
105.07040	16.8
107.08593	18.5
109.06506	4.2
109.10154	10.3
109.64333	1.3
111.08057	2.3
117.06997	3.3
119.04131	1.7
119.04947	28.1
119.08590	18.9
121.06477	1.8
121.10152	15.4
123.11702	4.2
125.05925	1.1
125.09629	3.9
127.07539	2.2
128.06245	1.7
129.06992	3.5
131.08585	10.1
133.10124	11.9
135.07985	2.0
135.11670	6.0
137.09628	2.0
142.07753	1.2
143.08557	6.1
145.10118	14.5
147.04417	100.0
147.08090	1.9
147.11699	5.2
149.09641	2.7
149.13248	2.7
149.89265	1.0
151.07593	1.9
151.11127	1.6
155.08559	3.8
156.09276	2.6
157.10144	7.9
159.11694	12.9
161.09567	1.8
161.13284	5.7
163.11195	2.3
163.14825	1.9
165.05527	1.3
167.10706	3.0
169.10129	3.9
171.11650	6.5
172.12415	1.2
173.13226	8.0
175.14832	4.8
177.16322	1.3
179.08539	1.5
181.10216	1.7
181.12221	2.3
182.10977	1.3
183.11682	3.6
185.09622	1.1
185.13260	12.0
187.14832	12.0
189.16350	3.3
191.14229	2.8
194.10924	1.2
195.11700	3.0
197.13303	4.9
199.14845	8.6
201.16380	7.6
203.14424	1.7
203.17897	1.2
205.15871	2.3
209.13232	1.6
211.11244	1.2
211.14908	5.2
213.12895	1.4
213.16345	7.7
215.14359	2.7
215.17955	2.6
217.15926	2.6
219.08145	1.1
219.17424	6.8
221.13228	1.3
223.11150	1.0
223.14844	1.0
225.16273	1.1
227.14302	1.2
229.15851	1.3
231.17374	1.3
233.15340	4.2
237.16394	1.5
239.18069	1.2
241.19431	2.5
245.15430	2.1
253.19508	1.4
259.16962	2.2
265.19446	2.3
267.21109	2.2
281.22388	1.1
387.30325	1.5
389.31964	1.0
405.31534	14.9
407.33038	2.0
432.94907	1.1
433.31146	8.5
451.32129	17.3
462.29138	2.3
471.17773	1.2
597.38501	1.5
615.40088	2.2
633.23761	1.9
633.40710	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	633.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.2
53.03946	5.0
55.01865	3.4
55.05274	1.7
55.05517	19.5
57.03450	6.7
57.07074	3.5
58.59779	1.1
59.04999	4.7
62.59995	1.2
65.03954	6.2
67.05513	100.0
68.26071	1.1
69.03438	37.6
69.06797	1.0
69.07083	13.1
71.04988	4.9
71.08644	1.2
71.52051	1.4
77.03938	1.8
79.05502	30.8
81.03422	24.5
81.07063	51.0
83.05003	7.9
83.08627	12.4
85.02911	6.5
85.06535	4.1
87.04455	1.5
91.05484	35.6
93.07050	35.9
95.04969	9.1
95.08614	26.3
97.02938	6.2
97.06580	5.8
97.10191	7.3
99.04469	2.6
99.08087	2.6
102.19542	1.3
103.05470	1.9
105.07040	26.6
105.07704	2.4
107.04958	5.0
107.08614	21.9
109.02895	6.0
109.06547	8.8
109.10168	59.2
111.04454	5.1
111.08104	4.5
113.06017	1.1
115.05479	2.1
117.07051	13.2
119.08589	26.2
121.06531	4.6
121.10146	14.8
123.04446	2.2
123.08083	8.6
123.11669	1.3
125.09638	5.4
127.03962	1.9
128.06206	2.2
129.07002	7.7
130.07732	1.4
131.08577	18.4
133.06474	2.6
133.10146	16.3
135.08090	7.1
135.11703	7.7
137.09657	6.2
139.07484	1.4
141.06920	2.0
142.07768	1.9
143.08577	8.1
144.83006	1.4
145.06491	3.9
145.10135	15.1
147.08047	4.0
147.11697	12.5
149.05934	1.2
149.09599	3.5
149.13260	4.0
151.07512	1.5
153.09100	1.6
155.08574	4.8
155.10689	4.0
157.10191	8.2
159.08086	4.1
159.11707	10.4
161.09625	4.1
161.13284	4.4
163.07574	1.5
163.11179	3.1
165.09126	1.6
167.08574	2.3
169.10138	4.3
171.08049	2.0
171.11668	7.0
173.09662	2.8
173.11740	13.7
173.13286	5.8
175.11198	3.9
177.12732	3.2
179.14308	6.6
181.10150	1.9
181.23924	1.1
183.08076	1.4
183.11668	3.0
185.09622	2.3
185.13260	5.4
187.11220	2.3
187.14830	3.1
189.11241	3.1
189.12787	2.8
189.16368	1.6
193.12213	1.3
197.13239	4.3
199.11218	1.4
199.14851	2.6
205.12300	1.6
205.15871	1.7
207.11511	1.6
211.14948	1.7
213.16464	1.8
217.15938	1.8
223.14909	1.7
225.16391	1.3
227.12660	2.0
229.14374	22.6
233.15392	1.5
245.13838	1.5
247.16971	1.6
255.86685	1.3
259.20569	3.1
261.22299	2.7
271.20685	1.3
277.21771	4.2
283.20712	1.6
289.21414	1.9
299.14835	2.6
301.21542	9.5
303.26794	1.5
311.19803	1.5
317.24539	1.5
319.22742	4.6
327.23166	2.7
331.22769	2.3
331.26355	12.9
341.24551	2.8
345.24329	2.9
351.23138	7.7
353.24564	2.9
355.17340	2.2
369.24240	12.4
371.25781	1.9
375.25266	1.9
387.25305	6.7
393.26300	2.1
405.26123	1.9
425.26462	1.5
443.28040	5.0
449.49387	1.2
461.28934	8.3
463.61932	1.1
489.35770	1.8
547.36224	2.2
559.36401	1.4
579.36676	1.5
585.37775	1.6
597.37494	5.7
602.42603	1.4
615.38525	11.3
633.39948	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.7
51.17973	1.4
53.03936	5.8
54.32255	1.5
55.01870	4.0
55.05513	21.6
57.03427	6.7
57.07069	3.7
59.05011	2.7
65.03945	5.7
67.05511	100.0
69.03436	32.4
69.07071	13.9
70.45428	3.8
70.45800	3.3
71.01321	1.8
71.04990	6.3
79.05497	28.3
81.03432	22.8
81.07061	42.1
83.04986	6.5
83.08642	10.4
85.02908	5.1
85.06536	3.8
89.85967	1.6
91.05490	33.8
93.07053	35.4
95.04986	12.1
95.08616	27.8
96.91132	1.6
97.02910	5.0
97.06531	5.0
97.10176	7.3
105.07049	26.8
107.04961	4.4
107.08604	22.5
109.02891	4.8
109.06512	6.0
109.10166	61.2
111.04443	5.9
111.08105	3.8
117.07008	12.0
119.08595	25.2
121.06498	4.6
121.10191	13.3
121.85782	1.6
123.04418	3.2
123.08103	3.5
123.11709	3.6
125.09641	4.3
128.06242	2.5
128.94174	1.6
129.07014	11.8
130.07715	1.6
131.05043	2.0
131.08566	19.3
133.06502	3.4
133.10149	13.7
135.08086	5.5
135.11707	10.0
137.09671	8.1
141.07036	4.7
143.08562	10.8
145.06468	3.0
145.10170	17.3
147.08075	4.8
147.11719	8.3
149.09601	2.7
149.13223	4.3
151.11166	2.0
153.06946	2.2
155.08577	5.2
155.10732	2.9
157.10051	8.2
158.10855	1.7
159.08063	3.4
159.11725	9.2
161.09645	4.0
161.13290	5.9
163.11272	2.5
167.08560	3.3
169.10114	3.8
171.08066	2.9
171.11714	6.5
172.62140	2.0
173.09627	3.6
173.11748	14.5
173.13309	6.7
175.11217	2.2
175.14850	2.9
177.12820	2.2
181.10202	2.8
181.12248	2.0
183.11734	5.2
185.09610	2.9
185.13290	4.3
187.11108	3.4
187.14757	2.7
189.11229	3.5
195.11766	4.0
197.13293	4.8
199.11221	2.5
199.14896	2.1
201.12752	1.9
203.14391	2.2
209.13385	1.9
221.13393	2.3
221.15318	2.7
227.12665	2.2
229.14371	19.3
245.13739	2.3
255.13754	2.0
261.22214	3.1
273.22134	1.8
277.21567	3.0
299.14966	3.7
301.21661	6.2
315.23190	1.8
319.22659	3.0
327.23129	2.7
341.24780	3.1
351.23279	6.4
355.17773	3.4
369.24435	12.3
387.25549	8.8
405.26129	2.1
443.27951	6.2
461.28973	7.3
541.35114	2.2
579.36353	1.8
585.37775	3.4
597.37756	13.6
615.39014	14.7
633.39941	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.05516	0.8
56.96553	1.0
57.03448	1.7
61.02928	1.4
65.03921	0.6
67.05500	1.5
67.87346	0.5
69.03427	3.5
69.85222	2.6
71.05000	0.9
73.02934	0.9
77.03939	0.6
79.05499	39.8
81.03424	2.0
81.07066	10.7
81.73093	0.5
82.16557	0.5
83.04991	1.9
85.02912	10.8
85.03414	0.4
87.04472	1.0
91.03959	0.7
91.05495	3.8
93.07064	1.2
95.04976	0.9
95.08629	2.8
97.02930	2.8
98.21569	0.7
98.97583	3.8
99.04505	1.1
103.05465	3.8
105.07047	2.3
107.04961	2.0
107.08601	90.1
109.02879	1.1
109.06523	1.3
110.97604	0.5
111.04440	0.9
116.98621	0.9
119.06092	1.1
119.08566	0.7
120.08114	63.0
121.06530	1.0
123.08070	1.0
125.09638	26.4
127.03934	3.2
127.04729	0.5
129.05525	2.9
131.04988	2.7
135.08081	0.8
137.05983	6.0
137.09573	1.0
143.00159	0.6
143.10680	100.0
145.04976	3.1
147.04413	1.0
149.05960	1.6
149.09622	0.7
153.09094	0.6
155.10677	0.5
158.99654	1.9
161.11749	7.0
163.03918	3.5
163.06026	0.9
164.05936	0.9
166.08653	21.6
167.08923	0.5
167.10623	1.1
170.99574	0.6
177.00700	0.8
179.10594	0.6
187.04330	0.8
196.69890	0.6
196.72115	0.5
204.60681	0.6
204.90068	0.5
215.10757	0.6
219.01842	1.4
221.11742	0.6
233.11897	0.6
237.02792	1.7
251.12799	1.0
253.03841	1.2
254.09157	2.7
254.59140	0.7
255.07028	0.6
259.06503	2.1
269.13885	2.9
279.12189	0.7
287.14838	1.0
289.16418	2.6
305.15973	13.3
309.12000	1.1
310.13644	1.5
323.16928	0.7
336.09448	1.0
373.08038	1.2
390.71515	0.6
394.61557	0.6
427.12357	0.5
438.62442	0.7
450.55258	0.6
517.11932	0.7
625.04651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01862	2.7
55.05509	5.0
57.03434	1.5
57.07063	2.1
60.34679	0.6
61.02922	1.7
61.99125	0.6
63.86995	0.6
67.05505	8.1
68.99799	0.7
69.03430	8.7
69.07070	18.6
69.21776	2.9
69.22197	2.5
71.05006	3.6
73.02903	2.4
79.05496	5.0
81.03418	9.6
81.07059	25.2
83.04989	2.3
83.08620	6.3
85.02431	1.1
85.02906	13.4
85.06536	2.0
85.76631	0.6
87.00830	7.8
91.03943	0.7
91.05489	4.2
93.07044	15.7
95.04946	2.5
95.08614	22.5
97.02888	6.9
97.06546	3.7
97.10156	3.2
98.20724	1.3
99.04460	14.0
101.05974	0.9
105.01845	3.9
105.07031	8.4
107.08595	19.6
108.04488	1.1
109.02883	9.3
109.06522	9.1
109.09480	1.0
109.10162	15.4
111.08092	2.8
111.11728	1.9
117.01865	1.6
117.05475	1.5
117.07013	1.4
119.08588	5.7
121.06483	0.9
121.10158	7.9
123.08064	7.6
123.11707	9.7
125.09580	0.7
125.13249	1.1
127.03926	8.9
127.07576	5.4
129.01842	1.5
131.08563	2.0
133.10126	14.4
135.08035	1.3
135.10706	1.3
135.11702	24.0
137.09621	1.5
137.13271	4.1
139.07542	0.7
139.11134	0.8
143.08565	1.6
145.04974	2.9
145.10132	4.0
147.11682	7.1
149.09633	1.9
149.13257	4.3
151.11186	55.6
151.14821	2.5
153.09126	1.4
153.12735	10.3
157.10159	2.2
159.02884	4.6
159.11707	4.5
161.09641	1.1
161.13286	3.6
163.11174	4.1
163.14781	3.2
165.09088	0.9
165.12724	2.3
165.16377	1.7
167.10674	1.2
169.12219	1.6
169.15871	0.7
171.11661	3.2
171.13808	2.4
173.13255	1.8
175.11238	2.9
175.14825	2.4
177.12735	3.7
177.16368	2.2
179.10677	15.2
179.14233	0.9
181.12257	3.1
185.13245	2.2
187.14812	1.1
189.12787	5.0
189.16382	4.0
191.17960	3.0
193.12274	3.4
193.16000	0.7
195.13878	2.1
195.17459	1.7
199.14825	2.2
203.14296	0.7
207.13797	13.6
207.17453	1.8
213.04028	0.9
213.16415	1.5
221.15404	1.3
231.04939	1.0
235.16946	1.5
243.15840	0.7
245.22684	1.4
259.24274	1.0
269.22662	7.9
277.25180	1.0
287.23694	6.8
297.22177	1.4
305.24756	39.7
315.23279	6.4
323.25815	100.0
324.26184	1.0
330.61292	0.7
333.24237	56.1
334.24918	1.1
351.25302	99.4
352.25610	1.1
369.26358	31.9
370.26886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01876	2.6
55.05508	0.7
57.03420	1.1
61.02924	0.6
65.03957	1.0
67.05514	3.1
68.99783	1.9
69.03433	12.0
69.07069	0.5
70.06586	0.5
71.01368	0.8
71.05009	0.6
71.51930	0.6
72.08157	0.5
73.02914	1.1
79.05496	8.3
81.03416	2.1
81.07063	9.7
83.01341	0.7
83.04980	7.1
83.41254	0.5
84.08149	0.4
85.02909	6.2
85.06506	0.6
87.04463	1.4
91.05481	4.2
93.07042	2.9
95.04974	6.4
95.08611	7.5
97.02895	10.5
97.06519	1.0
99.00844	0.5
99.04458	0.9
105.07040	9.2
107.04967	6.8
109.02878	1.8
109.06518	18.4
111.04442	3.0
111.08083	1.0
113.02364	2.3
115.03943	2.2
115.05517	0.6
119.04945	3.5
121.06491	4.4
123.04414	2.0
123.08067	7.1
125.02326	0.5
125.05997	1.8
127.03904	1.9
127.07602	0.7
131.08548	0.6
133.06526	0.8
135.04422	0.9
135.08095	1.0
137.05980	100.0
138.06340	0.7
139.07564	1.9
141.09106	16.6
143.03404	1.5
145.06384	0.5
147.04439	2.1
149.05933	1.3
153.05478	0.9
155.07043	12.6
158.03288	0.5
159.08105	0.9
159.10161	3.4
161.04446	3.4
161.05823	0.8
163.03859	0.6
163.07582	1.0
164.07082	0.5
165.05447	1.2
167.07104	0.5
169.08635	1.7
173.08032	0.8
177.74348	0.4
179.06975	0.5
183.06494	1.2
187.07520	1.6
191.07001	1.6
197.08122	0.5
205.08662	1.8
209.08084	1.7
215.07071	1.3
225.98660	0.5
233.08089	5.2
239.09148	0.7
251.09134	14.5
255.08731	0.6
267.08725	1.9
269.10226	10.8
279.08652	8.1
283.56995	0.5
297.09628	6.0
315.10757	15.0
437.18515	0.8
467.50366	0.5
549.85858	0.5
613.97003	0.6
635.27264	0.6
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	Shizukaol M
Peak:m/z	Relative Intensity
62.17576	0.6
69.18809	6.2
81.07073	0.7
87.45119	0.7
95.08678	0.9
102.86565	0.6
107.34706	0.5
109.98182	0.6
117.22910	0.6
168.66899	0.5
172.47337	0.6
379.09354	0.6
389.17584	1.0
401.18491	0.7
403.19272	2.3
404.20270	1.2
405.20804	1.7
415.15250	1.1
416.20392	1.1
417.16434	1.4
417.21466	5.7
418.21771	1.6
419.22330	3.2
429.16833	1.4
430.17645	3.8
431.18066	6.1
432.19305	2.4
432.24094	0.9
433.24261	4.9
443.18732	1.7
444.19531	2.8
445.20062	12.5
446.21118	2.5
447.21609	4.0
457.20337	1.0
458.21216	2.1
459.21967	8.1
460.22675	11.0
461.23386	7.2
473.23569	1.8
475.20636	0.7
488.22253	0.9
489.22635	1.5
491.24728	1.5
505.22717	2.4
517.22284	1.7
518.22937	1.0
519.23621	3.8
531.24005	2.6
533.25830	0.8
546.26459	2.7
547.27087	21.2
575.26593	1.9
577.24658	3.1
579.30212	0.9
591.25995	3.6
605.27948	1.0
606.28357	11.8
607.29175	27.1
635.28668	100.0
636.28967	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	635.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48488	0.4
55.69864	0.4
71.30413	0.8
72.08158	0.5
81.07083	0.4
93.07058	0.6
94.06554	0.4
108.88857	0.4
156.86366	0.3
196.09944	0.6
209.10785	0.8
221.10786	0.6
223.12276	0.5
224.13057	0.7
235.12349	0.9
236.13159	0.4
237.13872	0.7
246.92030	0.4
249.10565	0.4
251.11829	0.5
277.13150	0.5
312.14737	0.5
387.16400	0.6
389.17722	1.1
390.18549	0.5
391.19470	0.6
401.17712	0.9
402.18524	1.0
403.19131	3.4
404.20169	1.1
405.20883	1.4
415.19376	1.6
416.15771	0.7
416.20505	1.1
417.16226	0.7
417.21307	4.2
418.21841	2.2
419.22552	1.9
429.16531	0.9
429.21649	0.6
430.17249	2.2
431.18124	7.5
431.23669	0.7
432.18799	2.3
433.24316	4.0
434.24615	0.6
443.18567	0.9
444.19357	1.7
445.20013	9.0
446.20532	2.4
447.21866	1.4
458.21127	0.6
459.17828	2.5
459.23297	2.8
460.23029	3.0
461.23618	4.3
471.22095	0.5
473.19202	1.2
473.24179	1.1
475.21292	1.2
477.23328	0.6
487.21594	1.4
488.21988	2.9
489.22949	6.1
501.22873	1.3
502.23898	0.7
503.24847	0.6
505.21954	0.5
515.24554	1.4
517.22815	0.8
519.26727	0.8
531.36652	0.5
532.24969	0.5
533.21875	0.9
543.23376	0.6
547.27460	8.4
564.28479	0.6
575.26581	24.4
576.27032	0.8
603.26599	0.6
607.29102	1.3
635.28650	100.0
636.28955	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3945
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03930	0.7
55.05520	3.8
57.07087	1.0
65.03932	2.3
67.05503	6.1
67.34838	0.7
69.03425	0.9
69.07059	3.4
69.47830	2.5
69.48259	2.1
79.05489	3.6
81.07068	12.6
83.04970	2.8
83.08614	2.7
87.83001	0.7
91.05482	17.7
93.06488	1.0
93.07050	11.8
94.81827	0.6
95.04959	1.4
95.08611	20.0
97.10155	0.7
98.21500	0.9
99.08140	0.8
105.07039	13.3
106.28408	0.8
107.08603	22.8
109.06525	2.4
109.10165	11.9
111.08098	1.6
117.07014	1.9
119.04115	1.4
119.04950	25.6
119.08582	23.2
121.10149	13.2
123.08070	1.9
123.11712	4.5
125.09635	4.8
126.81194	0.7
129.07001	1.7
130.07802	0.6
131.08562	7.6
133.10132	15.5
135.11700	7.0
137.09610	1.9
137.13287	0.9
143.08563	4.5
144.09329	1.1
145.10127	17.1
145.33107	0.6
147.04419	100.0
147.11688	10.9
149.09663	1.5
149.13280	4.0
151.11185	1.8
153.09081	0.8
155.08569	1.1
157.10149	3.6
158.10832	0.6
159.11696	14.8
161.13252	7.8
163.07524	1.0
163.11238	0.9
163.14856	4.0
165.05490	8.3
169.10204	0.7
171.11708	2.9
173.13278	8.8
175.14815	8.7
177.09102	1.6
177.16415	3.6
183.11705	1.3
185.13310	2.3
187.14836	27.7
189.16391	12.0
191.14319	2.1
191.17961	5.6
193.15919	1.3
197.13286	1.1
199.14868	4.4
201.16397	17.2
203.14430	0.7
203.17970	7.1
205.15834	4.9
207.17404	1.2
211.14857	0.9
213.16397	8.0
215.14459	0.9
215.17958	10.4
217.15886	2.4
217.19516	1.6
219.17439	9.1
225.16353	0.8
227.17957	2.2
229.15948	1.1
229.19489	1.6
233.15353	0.9
233.19016	2.9
235.16965	6.1
237.16524	0.8
239.17993	1.3
241.19443	1.6
243.21124	1.4
247.16946	8.4
249.18599	1.4
253.19644	0.8
255.21078	1.7
261.18466	4.9
267.21075	2.3
283.24118	0.9
311.23743	1.8
333.25601	0.7
349.29007	1.4
389.32159	5.5
395.29581	2.7
407.33139	25.0
409.35141	1.1
423.32275	0.9
425.33954	1.3
435.32431	6.9
453.33676	18.6
560.76654	0.7
635.37939	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05515	3.3
57.07070	0.9
57.63875	0.5
65.03934	2.1
67.05500	4.8
69.07060	3.8
69.86016	2.7
79.05510	3.2
81.03403	0.5
81.07063	11.2
83.04974	2.5
83.08627	3.0
91.05483	20.8
93.07051	9.9
95.04961	1.6
95.08612	14.6
97.06512	0.6
97.10180	0.9
99.08066	0.5
103.05448	0.6
105.07032	14.2
107.08596	17.9
109.06519	1.5
109.10168	9.5
111.08063	2.0
115.05408	0.6
117.07005	2.8
119.04948	29.4
119.08586	20.9
119.09467	0.9
121.10152	12.5
123.04429	0.6
123.08056	0.5
123.11726	3.8
125.09625	4.3
129.07011	1.2
131.08559	7.3
133.07600	0.6
133.10133	14.5
135.11700	6.0
137.09654	1.1
137.13289	0.6
141.07011	0.7
143.08546	3.2
145.10121	15.8
147.04414	100.0
147.11690	7.8
148.04761	0.6
149.09637	1.4
149.13293	3.1
151.11209	1.2
153.09108	0.8
155.08640	0.6
157.10146	3.7
158.10902	0.7
159.11707	11.9
161.13249	6.2
163.11296	0.8
163.14848	3.9
165.05537	1.2
169.10126	1.0
171.11667	2.7
173.13290	7.5
175.14848	6.5
177.16393	6.9
183.11720	0.8
184.12566	0.6
185.13277	2.0
187.14830	15.6
189.16391	17.8
191.14323	3.8
191.17963	3.8
193.15875	0.6
197.13222	1.3
199.14833	2.7
201.16379	20.0
203.17934	6.1
205.15892	3.3
207.17459	1.0
211.14819	0.6
213.16415	9.1
215.17976	10.3
217.15947	3.9
217.19540	1.9
219.17432	11.9
225.16441	1.1
227.17886	1.2
229.19591	1.9
231.17352	1.5
231.21075	0.8
233.15276	0.7
233.19041	2.0
235.16963	6.5
237.16331	0.5
239.18034	1.0
241.19531	2.2
243.21095	2.3
245.19055	0.7
247.16939	4.0
249.18559	0.7
253.19662	0.9
255.21054	1.6
261.18503	3.0
265.19516	0.6
267.21063	2.4
281.22549	0.8
283.24207	0.9
349.28848	0.6
379.33679	0.7
389.31921	3.8
395.29544	1.3
396.12552	0.5
407.33096	19.9
409.34662	1.9
423.32919	0.7
425.34076	0.9
435.32684	5.6
453.33688	21.1
635.38440	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	636.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
53.03949	3.4
55.01867	3.2
55.05518	10.5
57.03439	6.5
57.07072	2.4
59.04995	3.0
61.02918	3.4
65.03925	1.4
67.05512	37.7
69.03442	10.7
69.07078	24.6
71.05013	4.8
71.08610	0.9
71.22419	1.3
71.22771	0.9
73.02921	1.7
79.05502	14.9
81.03426	18.2
81.07066	44.5
82.10835	0.8
83.04987	7.4
83.08627	12.0
85.02910	21.1
85.03735	0.9
85.06556	4.1
87.00847	7.4
91.03970	1.1
91.05485	14.8
93.07055	24.7
95.04984	8.9
95.08616	25.3
97.02897	9.2
97.06530	5.3
97.10170	2.3
99.04459	11.5
99.08107	1.4
101.02372	1.7
101.06039	1.4
105.01881	3.7
105.07044	22.8
107.04939	2.4
107.07883	1.2
107.08604	26.5
109.02898	6.1
109.06528	7.8
109.10166	48.6
111.08131	4.4
111.11756	4.9
113.06046	1.3
117.07029	1.8
119.07801	1.7
119.08592	17.1
121.06533	3.3
121.10160	21.0
122.10559	1.4
123.08077	4.2
123.11708	13.0
123.46769	0.8
125.05994	0.9
125.09644	1.9
127.03931	8.7
127.07603	3.9
127.11204	21.0
129.07007	3.1
131.08571	5.1
133.06461	1.5
133.10139	19.5
135.04468	1.0
135.08075	2.2
135.11711	12.2
137.06013	2.3
137.09608	3.1
137.13240	3.4
145.04982	2.7
145.10139	6.8
147.08060	1.7
147.11702	29.5
149.09673	4.8
149.13315	4.0
151.07471	1.3
151.11198	27.1
153.12764	12.7
155.10664	1.2
155.14285	1.3
157.10143	5.0
159.02998	1.3
159.11722	4.9
161.09671	1.1
161.13283	3.8
163.03955	2.2
163.11194	9.3
163.14870	1.2
165.09042	1.1
165.12767	19.2
167.10684	1.7
169.12187	4.6
171.11723	1.3
171.13805	2.0
173.09663	0.9
173.11748	5.2
173.13333	2.4
175.11183	6.0
175.14827	2.2
177.12779	1.2
177.16341	1.2
179.10709	7.8
181.12268	7.2
183.13837	2.5
185.13347	0.9
187.11095	1.5
187.14839	1.3
189.12808	2.1
189.16360	1.4
191.10687	3.8
193.12265	23.4
193.15977	1.0
201.03967	1.7
201.16394	1.2
203.17964	1.7
205.12334	1.1
205.15868	1.3
207.13828	2.7
207.17584	1.1
211.13295	13.9
215.12749	4.9
215.17952	1.0
217.12320	1.7
217.19516	1.0
218.12683	0.9
219.17369	1.3
229.14363	35.4
237.22141	1.1
267.15924	6.8
271.24033	1.0
277.21686	7.3
281.22696	1.6
283.15756	1.1
285.17035	12.4
299.23648	2.8
317.24808	11.8
335.25836	51.0
353.26883	30.9
370.33298	1.6
371.27951	100.0
372.28259	1.6
374.14301	0.9
421.25842	7.0
439.26959	42.7
440.27615	1.0
619.31793	1.1
637.32062	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84025	1.2
53.03944	4.4
55.01863	3.9
55.05510	17.5
57.03439	8.1
57.07080	6.5
59.04987	2.8
61.02911	3.7
63.73143	1.3
67.05510	35.0
69.03430	11.9
69.07073	32.4
71.04997	9.6
71.52047	1.5
71.52573	1.5
71.85601	1.5
73.02911	3.0
79.05486	13.8
79.69286	1.4
81.03417	25.0
81.07059	64.9
83.04984	12.5
83.08620	18.1
85.02902	24.5
85.06525	6.7
87.00815	8.2
91.05474	18.2
93.06479	2.9
93.07043	34.5
93.17446	1.3
94.07352	3.3
95.04987	11.6
95.08610	39.7
96.08927	2.0
97.02900	12.2
97.06519	8.3
97.10162	3.8
99.04449	13.0
99.08105	5.4
99.17943	1.4
105.01867	4.4
105.07030	28.8
106.07342	1.7
107.04933	3.1
107.08594	37.5
109.02877	8.3
109.06521	11.7
109.10161	66.1
111.04426	2.6
111.08089	7.9
111.11718	5.4
115.05470	1.3
117.05486	2.4
117.07030	2.7
119.08595	22.9
121.06502	5.2
121.10140	27.5
122.10476	2.0
123.08076	10.0
123.11723	23.4
123.95672	1.3
125.05926	1.5
125.09628	5.0
127.03933	16.8
127.07566	5.6
127.11207	24.3
129.07016	2.7
131.04921	1.8
131.08557	5.4
133.10139	26.5
135.08096	2.9
135.11705	18.0
137.05991	6.4
137.09602	2.2
137.13235	8.0
143.08588	2.3
145.04947	5.1
145.10118	8.6
147.04417	3.4
147.08087	3.1
147.11687	32.5
149.09595	9.2
149.13260	6.4
151.11188	40.7
153.09138	1.7
153.12738	11.6
155.07092	2.5
155.08508	2.1
155.10657	2.7
157.10158	4.3
159.02858	2.2
159.11702	7.1
161.13249	6.3
163.03944	5.2
163.07465	1.5
163.11169	8.9
163.14854	3.4
164.04311	2.1
165.09108	2.2
165.12767	23.6
167.10689	3.0
169.10143	2.0
169.12236	5.3
171.11703	2.4
173.09576	2.4
173.11711	5.0
173.13278	4.7
175.11192	9.2
175.14771	2.2
177.12698	3.5
177.16423	2.5
179.10670	10.3
179.14307	1.8
181.12238	7.7
183.13823	1.9
185.13287	1.5
187.14862	3.0
189.12787	2.3
191.10709	4.0
193.12257	22.9
193.15871	2.0
193.26355	1.3
195.13725	1.9
199.09624	2.0
199.14838	1.6
201.16348	3.2
203.14305	1.6
203.17981	3.3
205.15880	1.6
207.13829	2.2
211.13269	17.0
213.16309	2.1
215.12794	6.2
215.17825	1.5
219.17412	1.9
229.14340	34.8
229.16574	2.3
239.08247	1.8
247.16899	1.9
249.14456	1.6
255.07010	1.5
267.15897	5.9
281.22586	2.9
285.16971	12.3
289.25040	1.6
299.23660	3.0
307.26459	1.5
317.24741	21.7
335.25812	100.0
353.26868	78.2
354.27066	1.5
370.32986	2.5
371.27917	79.0
372.28006	1.4
421.25903	7.5
436.32477	1.7
439.21219	2.8
439.26965	44.7
439.36026	1.7
454.34100	2.8
611.94684	1.5
637.31879	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	637.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77699	1.4
56.96289	2.7
56.96563	18.9
57.03428	3.0
61.02926	3.5
69.03449	8.3
71.04981	2.5
71.51955	2.9
71.95274	2.3
73.02921	3.5
79.05511	8.9
81.03419	3.8
81.07063	2.9
84.96030	5.9
85.02909	21.0
85.38366	1.5
85.39358	1.6
95.08595	2.2
95.52544	1.6
97.02882	9.6
97.96836	1.8
98.97586	100.0
99.63664	1.6
107.08570	3.7
107.50775	1.5
109.02856	2.2
110.01481	1.5
110.97563	22.1
112.99139	3.6
116.98631	35.5
121.06519	3.4
125.02331	4.6
127.03894	4.0
128.98601	18.1
131.00125	2.7
134.99652	4.6
135.04443	2.6
137.05986	11.9
137.74496	1.5
140.98581	2.0
141.09142	1.6
143.00177	4.2
143.03398	2.0
144.95853	2.7
144.98126	2.5
145.04932	7.9
146.99644	5.7
147.04395	2.6
158.97461	3.1
158.99644	14.8
161.01228	3.4
162.99237	2.0
163.03938	14.6
164.05942	7.3
167.07069	4.6
170.99684	7.0
173.06458	2.9
177.00719	8.4
182.07036	2.9
189.00735	5.6
194.99625	2.6
197.01193	2.3
201.00760	6.2
207.36636	2.0
211.02779	2.0
219.01762	43.2
225.04373	2.3
227.02373	3.0
229.03770	3.3
234.98933	7.3
237.02812	48.0
241.03938	4.1
242.01035	3.9
243.05386	5.8
250.01605	4.0
253.03880	3.2
254.09108	23.8
256.02643	2.8
257.03384	2.4
259.06561	3.0
260.01953	9.9
265.03827	29.1
267.05350	2.2
268.02579	20.1
270.04489	2.1
271.04813	5.5
278.03168	2.5
279.01569	2.6
281.03351	5.9
283.04868	26.4
285.06433	4.5
286.03580	9.5
295.05008	2.8
297.02917	9.5
297.05930	2.3
299.04504	8.6
301.05829	9.1
303.04025	2.0
307.04868	39.3
309.06482	7.3
310.03500	2.7
325.05939	38.5
327.03922	2.5
327.07504	2.9
336.09830	2.3
336.59824	2.4
337.05988	1.9
343.06943	3.6
347.04071	2.3
350.89285	2.0
357.02692	5.7
367.06931	15.2
383.04205	3.8
394.06039	1.7
401.05420	5.9
403.12445	2.0
427.03546	8.1
427.08701	2.1
442.15857	7.4
445.04639	4.3
445.10184	70.1
463.11179	11.6
473.09485	6.0
486.12524	2.4
490.36938	1.8
491.10947	3.0
521.11987	15.4
547.17322	2.3
552.62305	1.9
561.14917	82.0
601.13733	2.0
637.16455	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	637.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26002	0.4
60.05663	0.5
60.41668	0.4
65.65472	0.5
67.05526	0.7
69.17320	1.7
69.17741	3.5
78.37312	0.5
79.05535	0.5
98.20745	1.2
108.80361	0.5
118.06574	1.0
125.00062	0.6
140.11522	0.6
144.08139	1.3
172.11397	0.8
176.14473	1.4
202.15948	9.0
203.16240	3.5
220.16997	5.6
221.10912	0.6
221.17393	2.3
300.13657	6.0
301.13919	2.4
340.14856	0.6
370.11746	0.6
374.16608	0.6
377.17725	1.0
386.15747	1.0
387.16257	1.0
389.18146	0.9
391.19254	3.3
392.20111	0.8
399.16031	1.1
400.17056	2.2
401.17752	4.1
403.19724	1.2
405.20847	2.0
406.21909	0.7
407.22479	1.0
413.17865	3.4
414.18753	3.1
415.19440	7.5
416.20148	1.5
417.21301	1.5
418.19019	1.0
419.18646	2.4
419.22766	1.8
425.17755	1.1
427.19312	2.0
428.20520	3.5
429.16235	1.2
429.21695	3.6
430.22217	2.6
431.18753	1.7
433.20834	1.2
439.19061	0.8
441.17215	1.3
443.18332	2.5
443.22684	3.3
444.19153	4.4
445.20245	2.8
446.21088	2.1
447.17844	7.0
449.46417	0.7
453.17392	0.6
456.19696	1.2
457.20837	3.1
458.21109	2.7
459.17334	3.0
460.18411	1.0
461.19040	2.9
462.20642	3.4
463.25577	1.0
471.22318	8.7
472.18005	1.0
472.22940	1.7
473.18936	4.5
474.20322	4.9
475.17792	3.1
475.22650	1.0
483.21930	0.9
484.19214	1.3
485.19641	1.5
486.20227	3.9
488.22800	1.0
489.23407	6.7
490.19934	6.2
491.24545	1.0
499.21344	20.7
500.18549	2.1
501.23535	6.2
502.19998	1.0
503.20313	3.9
507.24133	3.0
511.21164	1.9
514.19727	1.0
516.22101	0.6
517.22351	17.7
527.21191	2.7
529.22308	11.5
531.24524	1.5
535.23328	13.4
545.21753	46.1
546.22131	0.9
555.20416	2.4
559.23627	6.8
563.22955	5.2
573.21320	13.2
577.24390	1.8
605.23926	100.0
606.24097	1.6
619.25250	2.8
619.37744	0.7
637.26538	72.7
638.26678	0.9
640.56036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84825	0.4
58.14867	0.3
66.30261	0.4
69.98567	1.7
79.05453	0.4
100.78829	0.4
144.08127	0.4
195.09050	0.4
207.09106	0.6
211.12315	0.5
221.10664	0.5
222.11620	0.4
223.12297	0.5
237.13870	0.4
247.12100	0.6
277.71887	0.4
363.16223	0.9
374.16263	0.6
375.16608	0.9
377.17743	2.1
378.18503	1.2
385.14178	0.5
386.14987	1.1
387.16257	0.9
388.17599	0.7
389.17728	0.8
390.18536	1.1
391.15234	0.4
391.19312	3.4
392.20166	2.5
393.20700	3.6
398.15512	0.4
399.16245	1.0
400.16956	2.4
401.13602	0.4
401.17813	3.5
402.18997	0.9
403.19370	1.1
404.20383	0.6
405.16376	0.9
405.20847	1.6
406.21701	0.9
407.22339	5.4
411.16010	0.7
412.17252	0.7
413.17737	2.1
414.18723	2.8
415.19333	6.1
416.20432	0.9
417.20834	1.5
419.18634	1.7
419.23318	0.6
420.19214	0.6
421.20132	4.7
425.17758	1.2
427.14670	0.7
427.19308	1.4
428.20419	3.2
429.21344	6.3
430.22192	1.8
431.18741	1.5
433.15808	0.7
433.20697	0.6
434.21085	1.1
435.21756	4.3
436.22424	1.1
441.16904	1.8
442.17795	1.4
443.18314	3.0
443.22610	3.1
444.18970	3.7
445.20541	2.6
446.21414	0.9
447.17285	2.2
448.18619	0.8
455.18979	0.7
456.19754	0.8
457.20605	4.0
458.21442	2.8
459.17529	2.1
461.19366	2.2
462.20132	0.7
463.21027	1.1
469.16470	1.1
470.17163	0.8
471.22531	5.3
472.23593	3.3
473.19785	4.6
474.20865	1.8
475.16528	0.7
475.21982	1.0
476.18399	1.2
481.94016	0.5
484.18835	0.8
485.19870	3.8
486.20557	4.6
487.21893	2.4
488.22217	0.8
489.19046	2.9
489.23401	2.0
490.19598	3.9
491.20462	2.0
499.21359	9.3
500.21954	2.3
501.18414	0.5
501.23660	0.7
502.20306	1.1
503.24197	3.3
507.23990	0.6
513.12408	0.7
513.19226	5.7
514.19806	1.5
516.21558	1.4
517.22400	12.4
518.20251	0.4
519.20410	1.1
521.25360	1.6
527.20782	3.0
528.21198	1.5
529.22180	1.4
530.22119	0.5
531.24408	10.8
535.23352	0.5
541.22687	0.7
543.23907	1.2
545.21906	0.9
549.24939	6.5
559.23425	59.9
560.23749	1.5
573.21429	0.6
577.24451	2.2
587.22968	11.2
589.54535	0.4
591.26105	4.1
605.23938	6.0
619.25519	62.0
620.25763	1.3
637.26569	100.0
638.26813	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2659
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
51.93415	0.3
56.38934	0.3
58.28258	0.2
64.63758	0.2
67.37830	0.2
70.76530	0.6
79.67799	0.2
81.61110	0.3
147.02879	0.3
180.06209	0.3
195.09178	0.3
220.09949	0.3
233.10646	0.5
237.73863	0.3
253.78606	0.3
298.13339	0.3
360.14871	0.4
373.14822	0.3
374.16498	0.5
375.17084	0.5
376.17517	0.4
377.17502	1.0
378.18561	0.4
379.19196	0.4
385.14294	0.3
386.15338	0.8
387.16214	1.0
388.17670	0.4
390.18848	0.5
391.19293	1.1
392.20004	1.4
393.20844	1.9
398.15735	0.6
399.16104	1.9
400.16885	2.3
401.17715	3.4
402.18503	0.8
403.18994	0.6
405.20969	0.6
406.21469	0.6
407.22235	2.6
412.17426	0.8
413.17853	2.5
414.18579	3.3
415.19351	6.9
416.20020	1.1
417.20963	1.4
418.18558	0.6
419.18625	0.8
421.20236	2.3
425.17529	1.2
427.19797	1.9
428.20493	3.0
429.15851	0.4
429.21317	6.9
430.21942	1.9
433.16113	0.4
435.21558	1.6
436.22485	0.7
437.17850	0.4
439.19168	0.7
441.17087	1.0
442.17828	1.2
443.18140	2.8
443.22513	4.0
444.18607	4.0
445.20340	2.1
447.18015	0.8
448.19388	0.3
455.18655	0.4
456.20007	1.3
457.20535	5.0
458.21353	3.2
459.17517	0.6
460.18942	0.4
461.19662	0.5
462.20294	0.6
463.21069	0.4
467.18652	0.4
469.16287	0.6
470.17105	0.6
471.22269	6.2
472.23212	4.9
473.19531	4.2
474.20404	0.8
475.21442	0.6
481.19897	0.3
483.18063	0.5
484.19229	0.8
485.19931	2.4
486.20554	6.0
487.21198	2.8
488.22018	1.1
489.22815	1.0
490.19644	2.4
499.21344	9.2
500.23163	2.8
501.23285	0.7
502.19708	0.5
503.25000	3.8
512.19910	0.3
513.19556	0.6
514.20111	0.5
516.21545	1.5
517.22314	4.0
518.23615	0.4
521.25171	0.5
527.20654	2.9
528.21674	1.0
529.22400	0.4
530.22760	0.4
531.24036	11.5
533.21948	0.3
541.22137	0.6
543.24048	1.1
545.22015	0.6
549.25208	0.7
559.23431	80.2
560.23914	1.8
564.28369	0.3
572.21027	0.3
587.22943	13.5
591.25989	0.4
605.23895	0.4
619.25519	100.0
620.25439	2.3
637.26544	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59200	0.7
57.07043	0.7
67.05521	0.9
70.10317	1.8
70.69278	0.7
72.60245	0.7
89.22992	0.9
95.04982	1.2
95.08604	0.9
105.07009	0.7
121.06503	0.8
376.17487	1.0
378.18225	1.3
385.14905	0.9
387.16013	1.7
388.18094	1.6
391.19266	1.0
392.20081	1.5
393.20908	2.5
398.16000	1.0
399.16266	3.0
400.16937	3.2
401.17828	3.9
405.21146	1.2
407.22186	4.0
413.17737	3.7
414.18695	4.1
415.19403	9.7
416.15732	1.1
416.20605	1.1
418.18668	0.9
419.23135	0.8
421.20337	2.8
427.19498	1.7
428.20325	2.8
429.21292	8.6
430.21835	1.8
435.21829	2.0
436.22519	1.0
441.17252	2.2
442.17398	1.1
443.18457	4.6
443.22784	4.0
444.18710	5.3
445.20328	3.1
455.19028	1.1
456.19644	1.6
457.20624	5.7
458.20993	3.1
471.22220	8.7
472.23172	4.9
473.19885	4.4
485.19943	3.7
486.20468	6.6
487.21478	2.5
490.20319	3.3
491.20636	1.2
499.21310	8.4
500.23068	3.8
502.19662	1.2
503.24911	3.6
513.19427	1.2
514.20026	1.2
516.21704	2.0
517.22437	4.0
527.20868	2.9
528.21649	1.5
531.24084	12.2
543.24066	1.3
545.21387	1.0
549.24591	0.8
559.23450	84.2
560.23871	2.2
587.22943	16.8
619.25543	100.0
620.25836	1.7
637.26471	16.5
637.38251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01864	0.9
56.38432	0.2
57.03435	0.4
62.36856	0.2
65.03936	0.3
66.78391	0.2
66.91602	0.2
67.05499	1.0
68.99791	0.5
69.03430	4.3
69.07043	0.2
70.06579	0.2
71.00220	0.2
71.00536	0.3
71.04964	0.3
73.02935	1.1
73.03255	0.2
73.27946	0.2
73.62407	0.2
73.85085	0.2
77.61423	0.2
79.05497	3.2
81.03387	0.5
81.07058	4.7
83.04987	1.5
85.02902	1.9
91.05488	2.7
93.07050	1.3
95.04973	2.2
95.08616	2.5
97.02885	0.6
97.06552	0.4
103.05430	0.3
105.07034	5.8
107.04940	2.0
107.08585	0.3
109.02864	0.4
109.06519	8.0
109.07269	0.4
111.08088	0.3
112.95436	0.2
119.04932	3.0
121.06498	0.6
123.08064	2.1
125.06017	2.2
125.09656	0.2
127.03939	0.3
127.07549	0.7
137.05980	100.0
138.06310	0.5
139.07526	0.4
141.09106	3.1
145.04921	0.3
147.04431	0.3
155.07034	18.1
159.10181	0.2
163.03903	0.4
168.06627	0.2
180.70436	0.2
237.62543	0.2
259.13422	0.3
265.14377	1.4
277.14349	0.4
295.12057	0.4
295.15411	8.5
376.28146	0.2
395.13168	0.2
592.85071	0.2
637.21753	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86246	0.3
55.01867	0.9
57.03433	0.4
61.19640	0.3
62.52446	0.2
65.03940	0.4
67.05513	1.2
68.99786	0.8
69.03433	3.9
69.07057	0.3
71.04985	0.6
73.02913	1.2
78.88031	0.2
79.05063	0.4
79.05497	4.0
81.03443	0.5
81.07063	4.6
83.04976	1.9
85.02905	2.4
91.05485	2.5
93.07053	1.1
95.04969	2.1
95.08614	2.8
97.02914	1.0
97.06541	0.3
105.06335	0.3
105.07039	5.0
107.04944	1.7
107.08588	1.9
109.02879	0.3
109.06523	7.8
111.08111	0.5
119.04949	2.9
121.06498	0.4
123.08067	1.9
125.06006	3.3
125.09627	0.5
127.03944	0.7
127.07569	0.4
137.05984	100.0
138.06328	0.7
139.07492	0.3
141.09111	3.5
143.10707	1.7
147.04446	0.3
155.07042	18.0
156.07510	0.2
163.03928	1.2
168.06601	0.8
202.46645	0.3
250.18077	0.3
251.09154	0.6
265.14359	1.4
277.14532	0.6
295.15408	8.7
295.18585	0.5
310.80185	0.3
313.16678	0.4
315.10767	0.4
476.09818	0.3
549.77356	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09287	0.2
56.09410	0.2
60.49913	0.2
60.90701	0.2
66.41901	0.2
69.22379	1.6
69.22796	0.6
71.44176	0.2
86.01471	0.2
130.16420	0.2
134.34767	0.2
202.46655	0.2
221.10825	0.3
223.12445	0.2
386.15457	0.3
387.16153	0.3
388.17322	0.3
389.17856	0.5
391.19388	0.6
399.16089	0.3
400.16864	0.3
401.17728	0.6
402.18741	0.5
403.19479	1.2
404.20172	0.3
405.20798	0.6
406.21512	0.4
407.22107	0.3
413.17651	0.4
414.18692	0.4
415.19601	1.5
416.20126	0.9
417.16345	0.6
417.21497	2.1
418.17560	0.2
418.22110	0.4
419.22635	1.4
420.23163	0.5
428.16138	0.6
429.16949	0.8
429.21201	0.7
430.17151	2.2
431.17932	3.0
431.23273	0.8
432.18958	0.7
432.23508	0.9
433.20389	1.0
435.21906	0.6
442.18262	0.3
443.18164	2.1
444.19101	2.7
445.20108	10.2
446.21204	2.9
447.22363	1.1
457.20422	0.9
458.21075	8.8
459.21817	6.7
460.22763	6.2
461.19296	4.5
462.20508	0.8
471.22589	0.5
472.22690	0.5
473.24200	1.1
474.21136	0.2
475.21310	2.7
476.21991	1.3
477.22919	2.7
479.25278	0.2
485.23599	0.5
486.24561	0.3
487.25165	0.6
489.18195	0.3
489.23117	0.7
490.23636	0.7
491.24524	1.6
503.20953	1.1
503.25580	0.3
504.25012	0.9
505.21487	1.0
516.21802	0.3
517.21582	1.9
518.23029	6.6
519.23901	0.5
530.23157	0.8
531.23798	0.9
532.24921	0.6
533.25690	3.5
535.23163	1.8
545.25562	3.3
546.26208	2.2
547.27240	0.3
549.25098	0.9
560.24756	0.4
562.25665	0.6
563.25751	0.4
573.24878	1.0
577.28430	3.1
590.25427	0.3
591.26575	0.3
592.26849	1.0
605.27637	16.2
606.28430	1.2
637.30231	100.0
638.30573	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40757	0.4
55.78349	0.4
59.02600	0.4
61.37525	0.4
63.01853	0.4
67.05396	0.3
67.60265	0.4
71.29708	0.8
200.91087	0.4
303.56104	0.4
389.17828	0.7
391.19327	0.5
399.15991	0.4
401.17520	0.8
402.18430	0.9
403.19089	2.0
404.20441	0.7
405.20630	0.7
406.21548	0.5
415.19562	2.9
416.20117	0.8
417.21341	2.7
418.21725	0.6
419.22357	2.2
420.22879	0.8
429.20770	1.6
430.17209	3.0
431.18030	4.4
432.23764	2.4
433.19867	0.9
435.21606	0.5
443.18234	3.6
444.19150	3.7
445.20059	12.5
446.21234	2.6
447.21667	1.3
457.20419	1.2
458.20966	13.0
459.21695	8.2
460.22748	10.6
461.19382	4.0
462.20239	0.9
471.22003	0.8
472.22586	1.4
473.23331	1.2
475.21170	2.5
476.22382	1.9
477.22812	1.9
486.24548	0.6
487.25214	1.0
489.18320	0.5
489.23422	0.6
490.24161	0.5
491.24680	2.2
503.24976	0.9
504.25113	1.1
505.21613	0.5
513.22760	0.5
517.22302	1.2
518.23071	8.6
519.24103	0.9
530.23096	1.3
531.23993	1.2
533.25653	2.8
535.23700	1.5
545.25592	6.1
546.26111	3.1
549.24902	1.2
560.24280	0.6
562.25720	0.7
573.24902	2.0
577.28375	5.1
590.25305	0.5
592.26563	0.9
605.27612	63.1
606.27850	1.6
637.30243	100.0
638.30609	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	637.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28384	1.9
69.28787	7.8
80.40471	0.9
108.37228	1.0
113.19931	0.9
183.98685	0.9
234.99252	1.0
255.56563	1.0
320.20840	1.1
348.67291	1.0
388.18265	1.1
391.18884	1.1
392.20352	1.2
400.17081	1.8
402.72455	1.0
405.20975	3.3
406.21783	4.2
415.19275	3.5
419.22568	3.1
420.23227	3.8
421.24017	6.9
427.19424	1.5
429.20950	9.7
430.21838	2.1
433.19885	2.3
433.24890	1.2
434.24121	1.1
443.22427	3.6
444.23743	1.5
445.20401	3.3
457.24023	3.3
458.25204	5.6
459.21829	6.2
460.22888	3.2
461.19257	6.1
471.22189	1.2
472.22849	4.5
473.19510	1.5
475.21512	2.8
476.21729	5.1
477.26556	1.8
485.23441	7.3
487.21185	1.6
488.22031	3.4
489.22943	1.5
500.22482	1.1
503.24390	16.1
513.22766	1.7
517.25903	5.7
535.27161	17.7
545.25494	58.6
563.26569	3.4
573.25122	12.6
594.73566	1.1
605.27704	50.6
606.28430	1.7
637.30255	100.0
638.30365	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	637.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.6
54.73711	1.1
55.01873	6.7
55.05517	21.8
57.03448	6.1
57.03669	1.1
58.80048	1.1
61.02925	7.8
65.03930	1.5
67.05506	26.5
69.03429	14.2
69.07074	10.4
71.04983	5.2
71.52015	1.1
71.52431	1.2
73.02930	1.3
79.05502	20.5
81.03422	31.0
81.06606	1.1
81.07063	19.4
83.04983	10.5
83.08625	12.9
84.70967	1.2
85.02915	12.6
85.06555	1.8
91.03963	4.2
91.05486	19.0
91.95094	1.1
93.07047	17.0
95.04967	14.3
95.08607	13.4
96.22299	1.1
97.02901	11.0
97.06506	2.7
97.10179	17.0
99.04459	4.6
99.08067	1.2
105.03430	1.2
105.07048	14.7
107.04968	11.3
107.08595	13.9
109.02883	8.2
109.06506	4.2
109.10159	10.9
111.04441	5.1
111.08099	3.9
112.17075	1.1
114.71313	1.2
115.05452	1.7
117.07015	7.5
119.04929	2.6
119.08578	10.8
121.02904	1.6
121.06490	6.6
121.10146	8.8
123.04427	3.9
123.08100	6.6
125.02362	3.1
125.09643	14.1
125.10486	1.9
127.03896	6.4
128.06242	1.3
129.05449	1.3
129.06987	6.5
130.24956	1.3
131.04906	4.4
131.08586	9.0
133.06494	4.9
133.10141	6.7
135.04430	2.8
135.08055	3.3
135.11714	5.4
137.06007	4.2
137.09636	2.4
138.91003	1.1
141.06975	3.6
142.07822	1.5
143.08557	5.3
145.04912	1.6
145.06471	7.9
145.10127	8.8
147.04494	6.2
147.08066	5.3
147.11678	4.0
149.09599	3.7
151.11153	1.3
153.09138	2.7
153.12759	1.2
155.07100	1.5
155.08542	4.4
157.06488	3.4
157.10136	4.7
157.44627	1.2
159.08107	3.3
159.11723	4.4
160.05177	1.7
161.05994	10.4
161.09619	3.2
161.13278	1.5
163.03871	4.1
163.07588	1.4
163.11168	6.6
165.09140	4.3
167.08598	3.1
169.10120	3.4
171.08075	3.5
171.11644	2.2
173.04451	4.1
173.06006	3.5
173.09618	5.3
173.13225	1.8
175.07599	2.9
175.11235	2.4
177.05519	1.2
181.12257	1.5
183.08051	2.9
183.11673	2.5
185.05984	2.3
185.09628	2.7
187.07539	2.1
187.11208	2.2
189.09100	4.3
189.11241	6.7
189.12721	2.5
191.10699	3.5
193.12228	4.5
197.09644	2.0
197.13274	1.2
199.07535	2.1
199.11169	1.5
201.09103	1.2
203.14342	2.1
205.12302	1.9
209.11688	1.3
211.11325	2.6
211.13307	3.6
213.09131	1.6
213.12743	2.0
215.10641	1.2
215.14041	1.2
217.12012	1.3
219.13722	1.5
225.12773	2.3
227.12653	6.8
229.12360	2.6
229.14326	1.5
231.13803	4.8
243.13802	4.2
259.13431	2.0
267.15930	2.3
269.15372	2.0
271.13351	3.7
273.14838	4.8
280.73099	1.1
283.15439	3.4
287.16278	1.7
289.14261	9.5
301.14172	1.5
303.15781	2.0
311.16443	2.0
337.17731	1.3
337.21741	3.7
339.15616	1.5
354.27185	3.8
355.22745	4.1
365.21152	5.9
372.28214	2.5
373.23605	1.4
383.22171	25.4
393.19492	1.2
401.23309	8.7
407.22186	2.0
419.24310	2.9
425.23212	1.8
431.24335	2.4
439.24838	4.1
440.27176	3.1
457.19525	2.0
457.25891	37.3
475.26962	100.0
476.27127	1.3
481.25690	1.8
491.25400	1.2
493.27945	1.6
499.26926	3.1
509.25650	1.2
517.27917	6.1
541.27716	1.8
545.27875	1.6
583.29169	5.3
601.29797	4.3
619.31219	8.6
637.32098	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	637.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.6
54.73711	1.1
55.01873	6.7
55.05517	21.8
57.03448	6.1
57.03669	1.1
58.80048	1.1
61.02925	7.8
65.03930	1.5
67.05506	26.5
69.03429	14.2
69.07074	10.4
71.04983	5.2
71.52015	1.1
71.52431	1.2
73.02930	1.3
79.05502	20.5
81.03422	31.0
81.06606	1.1
81.07063	19.4
83.04983	10.5
83.08625	12.9
84.70967	1.2
85.02915	12.6
85.06555	1.8
91.03963	4.2
91.05486	19.0
91.95094	1.1
93.07047	17.0
95.04967	14.3
95.08607	13.4
96.22299	1.1
97.02901	11.0
97.06506	2.7
97.10179	17.0
99.04459	4.6
99.08067	1.2
105.03430	1.2
105.07048	14.7
107.04968	11.3
107.08595	13.9
109.02883	8.2
109.06506	4.2
109.10159	10.9
111.04441	5.1
111.08099	3.9
112.17075	1.1
114.71313	1.2
115.05452	1.7
117.07015	7.5
119.04929	2.6
119.08578	10.8
121.02904	1.6
121.06490	6.6
121.10146	8.8
123.04427	3.9
123.08100	6.6
125.02362	3.1
125.09643	14.1
125.10486	1.9
127.03896	6.4
128.06242	1.3
129.05449	1.3
129.06987	6.5
130.24956	1.3
131.04906	4.4
131.08586	9.0
133.06494	4.9
133.10141	6.7
135.04430	2.8
135.08055	3.3
135.11714	5.4
137.06007	4.2
137.09636	2.4
138.91003	1.1
141.06975	3.6
142.07822	1.5
143.08557	5.3
145.04912	1.6
145.06471	7.9
145.10127	8.8
147.04494	6.2
147.08066	5.3
147.11678	4.0
149.09599	3.7
151.11153	1.3
153.09138	2.7
153.12759	1.2
155.07100	1.5
155.08542	4.4
157.06488	3.4
157.10136	4.7
157.44627	1.2
159.08107	3.3
159.11723	4.4
160.05177	1.7
161.05994	10.4
161.09619	3.2
161.13278	1.5
163.03871	4.1
163.07588	1.4
163.11168	6.6
165.09140	4.3
167.08598	3.1
169.10120	3.4
171.08075	3.5
171.11644	2.2
173.04451	4.1
173.06006	3.5
173.09618	5.3
173.13225	1.8
175.07599	2.9
175.11235	2.4
177.05519	1.2
181.12257	1.5
183.08051	2.9
183.11673	2.5
185.05984	2.3
185.09628	2.7
187.07539	2.1
187.11208	2.2
189.09100	4.3
189.11241	6.7
189.12721	2.5
191.10699	3.5
193.12228	4.5
197.09644	2.0
197.13274	1.2
199.07535	2.1
199.11169	1.5
201.09103	1.2
203.14342	2.1
205.12302	1.9
209.11688	1.3
211.11325	2.6
211.13307	3.6
213.09131	1.6
213.12743	2.0
215.10641	1.2
215.14041	1.2
217.12012	1.3
219.13722	1.5
225.12773	2.3
227.12653	6.8
229.12360	2.6
229.14326	1.5
231.13803	4.8
243.13802	4.2
259.13431	2.0
267.15930	2.3
269.15372	2.0
271.13351	3.7
273.14838	4.8
280.73099	1.1
283.15439	3.4
287.16278	1.7
289.14261	9.5
301.14172	1.5
303.15781	2.0
311.16443	2.0
337.17731	1.3
337.21741	3.7
339.15616	1.5
354.27185	3.8
355.22745	4.1
365.21152	5.9
372.28214	2.5
373.23605	1.4
383.22171	25.4
393.19492	1.2
401.23309	8.7
407.22186	2.0
419.24310	2.9
425.23212	1.8
431.24335	2.4
439.24838	4.1
440.27176	3.1
457.19525	2.0
457.25891	37.3
475.26962	100.0
476.27127	1.3
481.25690	1.8
491.25400	1.2
493.27945	1.6
499.26926	3.1
509.25650	1.2
517.27917	6.1
541.27716	1.8
545.27875	1.6
583.29169	5.3
601.29797	4.3
619.31219	8.6
637.32098	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	638.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.01896	0.4
55.05525	0.6
57.03440	4.8
59.05019	0.5
59.37794	0.2
63.02406	0.5
65.03947	0.3
67.05525	0.3
69.03429	2.5
71.01382	0.5
71.04998	25.7
71.52091	0.4
73.02951	0.3
75.04499	0.9
79.05515	0.7
81.03418	1.6
83.04992	0.9
85.02908	28.7
87.04472	0.8
89.03919	3.0
91.05488	0.3
94.06576	3.0
97.02894	8.1
99.04489	0.7
101.02393	0.4
107.04971	1.3
109.02892	0.6
110.06044	2.8
111.04476	0.6
115.82517	0.3
117.03367	4.2
122.06036	21.7
127.03922	0.8
129.05487	6.0
135.04427	7.2
138.05504	3.8
140.07062	4.4
145.02858	8.3
145.04002	0.5
147.04428	0.3
147.06519	1.2
150.05508	18.4
151.03896	0.6
163.03911	88.2
164.04253	0.6
164.07054	0.9
168.06564	100.0
169.06937	0.5
181.04970	2.5
265.07059	0.3
307.07828	1.1
314.12292	2.1
325.09198	23.9
326.09485	0.4
330.11734	0.5
445.79428	0.3
471.14511	0.5
492.15018	26.3
493.15561	0.4
496.41803	0.3
501.07373	0.3
620.24500	0.3
638.21606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96612	0.5
52.39996	0.5
52.54390	0.5
52.91386	0.4
53.03951	2.8
55.01868	1.6
57.03439	1.3
61.02929	1.2
68.99806	0.8
69.03433	7.6
69.79912	2.8
71.05003	1.0
73.02934	0.8
81.03427	8.8
85.02911	17.7
87.00832	7.6
87.04465	0.5
91.05484	1.6
94.04186	1.7
97.02895	8.8
99.04465	4.8
105.01864	4.9
107.04967	1.1
109.02880	11.4
117.01866	1.1
117.07040	0.9
121.06519	5.0
122.03639	4.3
126.05542	0.6
127.03919	14.3
129.01836	1.4
129.06949	0.8
131.04916	0.6
136.05209	1.4
137.05988	100.0
138.06348	1.1
143.04945	0.7
143.09932	0.5
145.04967	4.5
145.06493	1.6
146.07292	3.2
147.08101	0.8
149.06013	5.8
151.07552	17.7
153.58290	0.5
157.06468	0.8
159.02908	5.2
159.08080	0.6
160.05241	0.8
161.06015	1.4
162.06779	0.9
163.07520	0.7
165.05580	2.7
172.08740	0.5
174.06743	1.4
175.07550	5.4
177.05511	3.1
177.09109	12.2
179.07048	2.2
187.07617	3.0
189.09122	7.0
191.10716	1.2
201.09122	3.8
203.10661	1.0
205.08638	1.7
213.03949	0.9
217.08621	1.1
219.10173	2.9
231.05045	4.1
231.08090	0.8
231.10219	0.7
235.09625	1.7
235.11519	1.1
237.11247	5.6
245.09763	0.8
249.11186	1.5
250.81065	0.6
261.09155	0.7
262.09756	0.8
263.10684	0.9
273.09113	1.2
274.09863	1.8
275.10739	0.6
277.12326	1.7
284.10513	1.4
285.11292	1.0
290.09396	2.0
291.10144	1.8
295.13342	2.7
305.11713	16.1
306.12457	2.1
322.12189	1.3
323.12753	7.7
325.14319	0.7
337.14334	9.5
355.15433	36.8
373.16473	45.0
381.54175	0.6
397.16620	1.2
463.17657	1.6
481.18500	1.3
600.05420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.6
55.01873	1.3
55.05508	0.7
57.03434	2.5
59.05009	28.6
61.02926	2.1
67.05511	1.7
69.03437	17.1
69.07079	1.1
69.63321	3.8
71.04987	1.9
73.02930	1.4
75.04486	0.6
79.05490	1.4
81.03431	14.8
81.07043	2.1
82.07358	0.7
83.04965	1.0
83.08621	1.0
85.02914	25.6
85.06535	0.9
86.09757	0.6
87.04478	31.8
91.03925	0.7
91.05478	3.6
93.07045	2.7
94.04177	1.5
95.04979	2.4
95.08589	1.4
97.02904	34.9
97.06567	0.6
99.04456	4.0
103.05462	0.8
105.05521	24.0
105.07032	2.4
107.04949	3.1
107.08624	1.1
109.02898	11.3
109.10151	0.7
115.03970	0.8
115.05470	0.7
117.07017	1.4
119.04938	0.8
119.08620	1.9
121.06514	6.0
121.10139	1.8
122.03648	3.8
123.11756	0.9
127.03934	29.3
129.05426	0.6
129.07036	0.8
129.41820	0.6
131.04933	1.0
133.10094	1.0
136.05190	1.0
137.05992	100.0
145.04985	16.6
145.06506	1.5
146.07280	3.6
147.08090	1.8
147.11752	1.0
149.06012	5.2
151.07549	14.5
161.05998	1.5
162.06776	1.4
163.03902	2.4
163.06024	1.7
163.11267	0.9
165.05492	2.3
165.09129	1.9
175.07570	1.5
177.05540	3.2
177.09138	12.7
179.07011	1.7
189.09151	2.3
191.10690	0.8
193.12346	0.9
201.09171	1.8
203.10663	0.7
205.08705	0.7
211.13284	1.2
213.07585	0.7
217.08604	1.2
219.10181	1.1
222.11285	0.8
231.08659	15.4
235.09511	0.9
235.11563	0.7
237.11218	5.9
245.09715	1.3
249.09682	10.9
261.09229	0.7
263.10849	1.6
273.09314	1.3
274.09958	1.9
277.12366	1.5
290.09476	1.3
291.10327	1.6
295.13391	2.7
305.11707	13.9
305.15045	0.8
306.12482	0.6
322.11978	0.7
323.12802	7.4
329.46268	0.6
337.14334	6.5
355.10855	0.7
355.15433	36.0
373.16498	45.4
374.16727	0.9
379.15240	0.7
397.16492	2.3
463.17621	1.4
477.28519	0.9
481.18600	1.8
601.28046	0.7
638.22534	4.7
638.32245	0.9
639.33539	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01876	3.2
55.05517	14.9
56.05853	1.4
57.03438	3.2
57.07074	4.1
61.02925	1.4
67.05513	16.5
69.03445	9.8
69.07077	26.1
71.04992	4.6
71.08644	2.6
71.51993	1.4
71.55749	1.1
73.02927	2.6
75.90827	1.1
79.05496	12.6
81.03420	14.4
81.07066	59.9
82.03783	1.4
82.07390	1.4
83.04970	6.3
83.08636	14.3
85.02911	12.5
85.06554	9.8
87.00851	2.6
91.05491	11.4
93.06492	1.7
93.07055	27.2
93.07641	1.6
95.04967	7.4
95.08616	46.4
97.02875	6.4
97.06541	7.7
97.10176	6.8
99.04462	11.2
99.08097	3.4
101.06023	2.0
105.01906	2.6
105.07038	19.0
107.04964	2.9
107.08609	30.6
109.02904	4.8
109.06516	7.9
109.10167	31.9
111.04428	2.0
111.08089	7.3
111.11710	2.8
117.07024	2.0
119.08601	12.1
121.06509	3.7
121.10156	19.2
122.10480	1.4
123.08129	6.6
123.11719	25.2
125.09631	2.7
127.03952	6.8
127.06696	1.3
127.07571	5.9
129.07014	2.5
131.08574	1.5
133.01094	1.1
133.10147	14.5
135.08072	2.2
135.11707	21.4
137.05989	3.9
137.09612	2.6
137.13268	15.0
143.08597	2.0
145.06485	2.3
145.10153	5.4
147.07973	1.4
147.11702	24.1
149.09633	3.1
149.13281	20.5
151.11186	23.3
151.14894	1.8
153.09138	2.7
153.12775	3.7
158.76799	1.2
159.08002	1.3
159.11740	4.8
161.13263	5.3
163.03862	1.4
163.11230	5.5
163.14848	4.6
165.12767	11.1
165.16434	2.8
167.10707	2.5
167.14340	3.7
169.12363	1.5
171.11703	2.4
173.04520	1.8
173.13228	1.9
175.11230	4.7
175.14848	2.8
177.12747	6.6
177.16382	3.0
179.10660	3.1
179.14236	1.6
179.17978	2.0
181.12222	4.0
183.13806	4.2
187.14766	1.8
189.09195	1.7
189.12814	3.2
189.16367	2.2
191.14423	1.3
191.17926	3.2
193.12299	9.7
195.13809	6.1
203.18018	3.1
205.12265	1.8
205.19548	2.3
207.13847	6.7
209.15436	2.8
211.13376	3.1
217.19478	1.6
221.19061	3.4
223.16881	1.5
227.18169	1.9
229.14265	7.2
237.18555	1.7
259.24301	1.6
263.20154	2.7
273.25803	3.0
279.26813	2.5
283.24280	3.8
291.26810	2.6
297.27869	4.0
301.25278	8.4
309.27933	11.2
319.26352	52.7
327.28934	5.5
337.27402	100.0
355.28510	35.7
373.29517	46.7
384.22797	1.4
458.26257	5.5
475.26654	1.5
476.27383	12.0
541.33606	5.0
549.30969	1.7
567.31537	5.1
620.31311	2.2
638.32251	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	638.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47166	1.0
53.03936	5.2
55.01861	5.3
55.05517	45.8
55.57735	1.2
57.03442	14.7
57.07084	17.8
63.67860	1.2
67.05511	50.3
69.03414	2.7
69.07074	63.5
69.92382	3.1
69.92795	2.9
71.04978	4.8
71.08635	12.2
73.21660	1.1
79.05502	38.6
81.03397	5.0
81.07064	55.8
83.04985	9.6
83.08624	45.2
85.06564	2.3
85.10185	4.1
89.06027	3.7
91.05491	36.8
92.66330	1.1
92.84092	1.2
93.07050	44.3
95.04971	8.0
95.08623	30.4
97.06529	12.8
97.10178	31.2
99.08081	3.2
100.94700	1.1
101.05987	1.6
103.05527	1.5
105.04520	1.4
105.07037	29.2
107.04943	4.1
107.08605	21.9
109.06493	5.4
109.10192	8.9
111.08076	4.8
111.11691	7.1
113.09672	1.3
117.07021	11.9
119.08590	18.4
121.06495	2.8
121.09484	1.3
121.10160	14.4
122.89862	1.4
123.08069	3.9
123.11696	4.8
125.09621	3.3
129.07019	4.3
131.08585	16.2
133.08560	2.6
133.10133	13.7
135.08046	2.8
135.11699	13.6
137.09645	1.6
137.13266	2.2
139.11198	1.8
143.08504	3.0
145.10153	12.5
147.11697	6.8
149.09604	4.2
149.13298	8.1
151.11200	2.1
157.10152	3.7
159.11729	9.0
161.09560	2.0
161.13251	2.7
163.11208	3.2
165.12790	1.3
169.10094	2.0
171.11713	1.8
173.13275	5.0
175.11247	1.8
177.12788	3.5
183.11700	1.9
193.12276	2.1
195.13824	4.9
199.65237	1.2
203.10780	1.2
217.15895	2.1
227.12833	2.9
229.19577	1.6
233.15454	1.4
237.22160	6.5
239.17949	2.1
247.20547	2.1
251.16585	2.1
253.14366	1.5
255.16068	8.3
257.19083	5.7
267.15863	2.8
269.17468	13.3
273.18365	1.4
275.17310	1.9
275.20096	21.1
291.19437	2.4
293.80734	1.3
311.25827	73.4
313.27280	4.0
331.22769	2.9
349.23785	20.6
367.24759	3.9
491.30740	2.4
491.37399	30.3
504.24854	1.5
505.38919	100.0
506.38913	1.6
545.42035	2.7
546.25336	4.0
585.45215	17.2
603.46112	7.7
606.27710	4.2
638.30548	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	638.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
55.01867	6.8
55.05518	49.1
57.03437	15.9
57.07075	45.8
62.00005	4.5
67.05505	51.5
69.03440	7.0
69.07072	42.5
71.08631	37.3
79.05490	38.8
81.03374	5.2
81.07058	77.2
83.04964	8.4
83.08625	25.7
85.06547	6.2
85.10189	11.0
91.05488	70.9
93.07047	31.6
95.04950	8.4
95.08613	50.9
97.06536	12.3
97.10169	21.3
105.07043	61.8
107.08607	28.1
109.06577	8.5
109.10166	14.0
111.08105	5.6
115.05470	7.8
116.06256	4.6
117.07034	37.8
119.08598	40.6
121.06532	5.3
121.10175	13.2
123.11710	4.4
128.06224	25.9
129.07008	31.0
130.07799	11.3
131.08566	84.6
133.06543	5.7
133.10117	18.7
137.09627	5.9
141.07008	10.1
142.07840	8.5
143.08557	100.0
145.10133	100.0
145.11304	5.4
147.08049	9.7
147.11699	11.0
155.08505	7.5
157.10152	18.3
159.11703	16.0
161.09647	7.2
163.11136	8.0
169.10150	10.2
171.11710	20.1
181.10211	12.9
183.11717	8.9
185.13310	8.6
195.11655	12.1
209.13211	5.0
227.17921	7.3
237.16359	16.1
241.14186	7.0
255.17467	25.7
257.19061	6.5
262.40991	4.9
273.18503	60.5
275.20166	10.8
305.35812	5.2
311.25842	23.4
313.27368	95.1
329.21048	12.7
347.22208	32.9
349.24026	7.2
430.93716	5.4
443.71359	4.4
465.36020	6.2
496.53116	4.6
504.24704	8.2
536.28046	8.4
546.25775	22.0
574.25244	8.2
585.45154	71.0
603.45660	14.2
606.28339	23.3
638.30896	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2812
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
69.30070	1.6
73.00790	0.2
73.02263	0.2
76.67032	0.2
81.07082	0.2
85.06460	0.2
89.93781	0.2
93.13020	0.2
95.64056	0.2
119.67807	0.2
123.36235	0.2
131.11552	0.2
183.09203	0.3
207.09236	0.3
209.10803	0.3
211.12355	0.4
221.10808	0.7
223.12373	0.3
237.13826	0.4
258.67349	0.2
282.13635	0.3
290.97769	0.2
298.13385	0.3
299.14511	0.2
300.14926	0.4
312.14877	0.4
314.16559	0.4
324.15027	0.4
326.16534	0.3
327.17252	0.3
337.15594	0.3
342.20129	0.3
363.16049	0.4
364.18011	0.3
368.17715	0.3
374.95618	0.2
375.16272	0.4
376.17191	0.7
377.17596	2.0
378.18692	0.9
379.19794	0.3
386.18640	0.5
388.18085	0.3
389.17850	1.2
390.18542	1.4
391.19250	5.3
392.19998	3.2
393.20898	1.2
402.18967	0.2
402.21780	0.2
403.19354	1.3
404.20123	2.0
405.20786	8.3
406.21521	4.1
407.22302	11.3
414.21973	0.4
416.20291	0.3
417.20963	1.2
418.21939	1.1
419.22366	4.8
420.23074	4.1
421.17755	0.7
421.23859	15.8
422.17462	0.9
422.24677	2.9
429.21182	0.3
431.18076	0.4
431.22980	0.4
432.23297	0.7
433.18939	0.3
433.24429	4.3
434.24942	1.9
435.18362	1.8
435.24719	1.1
436.18991	2.1
437.19714	0.7
445.20319	0.9
446.20337	0.4
447.21793	1.3
447.26349	0.7
448.18747	0.3
448.26685	0.5
449.18839	1.5
449.27240	0.7
450.20316	1.7
451.21280	12.9
452.22110	3.1
457.24017	0.3
458.24176	0.3
459.21756	0.8
460.22757	1.0
461.23810	1.5
463.21707	1.8
464.22116	1.3
465.22876	19.0
466.23596	1.9
471.18427	0.5
472.18304	0.3
473.19299	1.2
475.21030	1.0
475.25140	1.1
476.22104	0.3
477.22748	1.3
478.23557	1.4
479.24405	1.5
487.21405	1.9
488.22134	1.4
489.22760	0.6
491.21103	1.5
492.21188	0.7
492.25473	1.0
493.26410	1.9
501.23001	2.5
502.23611	0.7
503.24442	13.9
504.25000	0.8
505.21738	0.4
507.27573	11.8
508.28195	2.9
518.23633	0.3
519.24030	1.0
520.24615	0.4
523.23376	4.2
533.25610	1.4
534.23358	0.3
535.27075	15.5
536.27533	0.7
537.25018	9.7
547.23389	0.5
549.20935	0.3
551.26648	5.0
552.27313	16.2
553.28424	0.5
561.25043	4.2
562.25635	0.8
563.26288	0.5
579.26025	7.6
580.26685	2.8
589.24823	0.4
593.27570	1.1
595.29144	5.3
607.25665	0.5
621.27069	16.3
622.27539	0.6
639.28125	100.0
640.28400	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	639.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75987	0.8
51.33080	0.8
52.98547	0.8
69.18456	2.6
69.18868	5.7
71.82344	0.8
76.52936	0.8
86.70036	0.8
98.20792	1.5
222.11522	1.0
298.70047	0.9
375.16107	2.1
376.17007	2.5
377.17648	5.3
378.19058	1.1
388.17883	1.5
389.17917	5.2
390.18506	6.2
391.19138	19.2
392.19803	5.3
393.21823	1.8
402.18262	1.3
403.19479	4.2
404.20129	6.2
405.16061	1.5
405.20871	26.2
406.21509	13.7
407.22272	2.2
417.21158	1.8
418.22070	1.8
419.22769	8.6
420.23203	16.0
421.24023	9.7
424.22278	2.1
430.17538	1.1
431.18161	1.3
432.19116	1.8
433.24832	7.1
434.25287	5.0
435.17740	2.0
438.20474	1.9
444.19357	1.3
445.20218	4.2
447.22198	3.9
448.22699	11.0
449.23529	14.1
451.21268	1.2
452.22095	16.6
459.21964	7.7
460.22733	11.6
461.19376	2.9
462.20587	18.2
463.21252	2.5
465.22852	11.0
473.19186	1.1
475.21194	15.6
476.22040	9.5
477.22910	34.0
478.23257	1.7
479.24612	1.9
487.21503	2.3
488.21967	1.9
489.22858	2.3
492.25513	8.8
493.22314	1.8
501.22870	1.9
503.24716	8.2
507.27737	4.9
518.23328	1.9
519.23730	1.4
521.21368	9.5
523.23102	1.7
535.26440	8.5
536.24274	44.0
537.25238	5.5
551.25946	2.5
552.19470	1.2
552.27356	12.5
561.25140	6.2
562.25250	1.4
563.26404	4.0
565.24274	2.0
579.26678	3.8
580.11682	1.0
593.27393	2.9
595.29028	1.7
607.25763	1.2
621.27148	8.7
622.27875	100.0
623.28125	3.0
639.30902	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80029	2.9
73.09976	0.6
95.08658	0.5
98.21568	0.6
115.63186	0.5
118.86411	0.5
150.62204	0.5
217.63623	0.5
308.34915	0.7
362.37851	0.6
377.17542	0.8
390.18658	0.9
391.19229	3.0
392.20261	1.0
393.21405	0.6
404.20935	0.9
405.20770	7.8
406.21405	2.7
419.22369	2.1
420.22946	3.9
421.23776	4.0
431.23010	0.7
433.20288	2.3
435.18335	1.3
436.18909	2.6
445.20117	1.0
447.21628	1.4
448.22690	0.8
449.19846	1.5
450.20630	1.9
451.20905	1.1
452.22028	2.4
460.22986	1.0
464.22220	1.2
465.22879	29.2
475.25052	1.8
476.22177	0.6
477.26486	1.9
478.23874	1.1
479.24603	5.6
480.25101	3.0
487.21399	1.4
488.22083	1.7
491.20911	1.5
492.21936	1.5
493.26233	3.0
501.22864	0.8
503.24466	16.9
505.22495	1.5
519.24152	1.4
521.25690	12.8
537.24988	5.8
537.32379	0.9
547.23358	1.7
565.24469	40.4
566.25226	1.0
580.26831	10.8
607.25403	10.5
621.27661	1.1
639.28162	100.0
640.28772	1.5
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	Unknow
Peak:m/z	Relative Intensity
51.46840	0.9
51.98465	0.9
54.59641	0.9
69.68730	3.7
69.69140	2.0
69.89206	0.9
71.22107	0.9
92.62959	1.0
92.77656	0.9
93.30975	1.0
98.20829	1.1
151.09041	1.0
161.79500	0.9
282.95721	0.9
386.18692	1.2
390.18826	1.7
391.19199	1.8
400.19556	1.1
403.19489	2.3
404.20056	3.0
405.20737	11.2
417.20914	1.7
419.22363	9.4
420.23264	4.4
433.24146	5.1
434.24680	3.8
435.18237	1.5
445.20068	2.4
446.20663	1.2
447.21857	4.3
449.19882	7.2
450.20547	2.4
462.20486	2.0
463.21152	7.3
464.22162	4.8
465.22998	8.1
475.21439	2.0
476.22134	1.8
477.22809	3.7
478.23642	5.0
479.24469	30.2
480.25345	2.6
487.21494	2.8
488.21680	1.5
491.20593	3.3
492.25146	2.2
493.26010	20.8
501.23083	2.8
502.23624	1.1
503.24329	1.7
505.22241	2.1
519.23828	2.0
522.23090	1.3
523.23303	9.7
524.24213	1.9
537.24982	34.2
547.23358	5.6
551.26660	20.4
552.27313	69.5
579.25873	9.5
607.25568	11.9
621.27234	1.3
639.28107	100.0
640.28296	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	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.23080	0.6
53.43658	0.5
62.08672	0.6
67.05499	1.1
69.07079	0.8
79.05499	0.9
81.07060	0.9
83.08649	0.5
91.05479	1.1
93.07052	1.2
95.04978	0.6
105.07022	0.9
107.08613	1.1
109.06464	0.5
119.08601	0.8
120.08077	0.6
131.08614	0.6
176.75937	0.5
223.12398	0.6
237.13780	0.7
238.14754	1.3
249.28770	0.5
319.10760	0.6
376.16858	0.7
379.19138	0.8
391.19431	1.0
393.20505	1.5
403.19263	1.2
405.16574	1.1
405.21201	1.3
406.21655	0.8
407.22659	3.4
417.21109	0.7
418.17856	1.4
419.18121	3.2
420.19412	1.4
421.20035	3.1
431.18750	1.3
433.20233	10.3
433.25394	0.7
434.21188	3.3
435.21982	4.9
436.22775	1.6
445.20676	1.0
447.22336	1.1
449.19455	4.3
458.21655	0.7
461.24075	1.0
462.20438	0.6
463.21228	2.3
464.21918	2.1
465.23053	2.4
473.23300	2.1
477.19101	0.9
479.20120	0.9
487.21796	0.6
488.21982	0.7
489.22803	0.6
491.20724	0.9
492.21701	3.2
493.22046	4.1
501.23080	1.1
503.24359	2.2
505.22272	2.0
506.22964	1.0
507.24142	3.4
519.23901	1.7
520.24982	1.0
521.25763	8.6
523.26624	0.6
529.21942	0.8
531.23932	0.9
537.24811	1.6
547.23236	1.7
548.24347	1.1
549.25189	0.7
551.26495	0.7
561.24689	1.6
565.24438	3.5
575.22815	4.0
579.26013	20.4
580.26776	2.1
581.27496	1.6
597.27155	1.5
607.25537	22.1
611.28912	1.0
621.27124	1.4
639.28119	100.0
639.39240	3.7
640.28369	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	639.2817
Annotation	Cucurbitacin B 2-sulfate
Peak:m/z	Relative Intensity
55.05505	1.1
67.05499	1.4
69.07073	1.4
69.46916	6.6
74.70785	1.0
81.07037	2.5
81.66145	1.0
91.05494	1.1
93.07050	1.5
105.07013	1.3
117.07073	1.2
119.08578	1.3
133.10219	1.5
158.43248	1.0
179.40015	1.2
192.25926	1.0
209.10735	1.1
211.12338	1.3
221.10721	1.9
223.12418	2.8
224.13161	1.2
225.13884	2.0
226.15057	1.0
235.12309	2.5
236.13153	1.0
237.13896	3.7
238.14674	2.9
249.13962	2.5
250.14627	1.2
251.15599	1.4
252.16206	1.3
261.13849	3.0
262.15176	1.2
265.83249	1.2
271.64905	0.9
279.15027	2.0
284.11758	1.2
286.93484	1.5
291.19647	1.1
299.10535	1.9
379.19528	2.4
391.19839	1.1
392.20731	1.8
394.21445	1.2
403.19345	2.1
406.17834	1.4
407.18613	1.5
408.19727	1.4
409.20230	1.2
417.21085	1.6
421.20551	2.1
422.21121	3.9
423.21793	3.8
431.18637	3.1
434.17703	1.7
435.17886	1.8
436.18771	1.2
445.20605	1.5
449.19891	3.6
450.20346	2.2
451.21362	1.6
459.22092	1.9
463.21982	1.2
473.24112	1.3
475.21329	2.5
481.26651	1.7
483.23682	1.5
487.21402	1.6
494.23413	1.4
496.24606	1.6
501.22763	3.9
509.25702	16.7
519.24103	4.1
522.23035	1.7
533.25452	3.8
537.25165	10.4
547.23547	3.2
551.26617	4.7
561.24921	14.3
563.26807	2.0
565.24408	14.0
567.29834	2.4
569.27667	13.9
579.26239	4.0
589.24341	2.7
596.26270	2.6
597.27142	100.0
598.27002	2.1
607.25568	11.5
611.28607	15.4
621.27045	22.9
622.27893	3.2
639.28198	54.5
640.28387	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	639.2814
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
54.05351	0.2
67.05533	0.7
69.61323	1.3
69.61751	0.5
72.27000	0.2
79.05484	0.4
81.07043	0.4
91.05496	0.4
105.07028	0.4
107.08626	0.3
115.07163	0.3
119.08588	0.5
128.76811	0.3
132.36452	0.3
134.51945	0.3
169.63721	0.3
173.10745	0.3
190.06190	0.3
197.10802	0.3
204.06616	0.5
220.09927	0.3
237.10477	0.3
249.10361	0.3
251.11804	0.4
273.13641	0.3
302.12994	0.3
302.45023	0.3
304.14557	0.3
315.13724	0.3
328.14758	0.3
340.10867	0.4
342.16235	0.3
354.16010	0.4
379.15527	0.4
391.15305	0.4
392.16296	0.5
393.17014	0.9
402.18695	0.3
404.17050	0.3
405.17337	0.4
406.18167	0.9
407.18530	2.0
417.16931	0.6
419.14267	0.4
419.18958	0.6
420.15225	0.5
420.19928	0.6
421.20596	4.5
422.21057	1.2
423.21805	0.5
431.19180	0.6
433.15741	0.5
433.20477	1.1
434.17499	1.2
435.18161	2.1
435.22543	1.1
436.22882	2.4
440.59970	0.3
445.16733	0.8
446.21613	0.3
447.17429	0.5
447.22568	0.6
448.18777	2.3
449.19748	8.8
450.20370	2.3
451.21216	0.5
459.18100	0.4
460.18863	0.8
461.19614	1.2
462.20743	0.5
463.21765	3.7
464.22202	4.8
465.22864	0.9
473.19644	0.6
474.20544	0.7
475.21503	2.1
477.18719	4.7
478.19943	2.1
479.20621	0.6
489.19922	0.4
491.20767	0.9
492.21841	0.9
493.22388	1.1
495.23373	0.4
505.22437	0.9
507.23862	1.1
519.24341	0.4
521.22046	0.4
523.23096	2.3
532.21436	0.3
533.22015	0.9
535.23651	3.5
536.24133	1.2
537.22217	1.1
547.23633	0.5
549.20947	0.4
550.25720	1.6
551.26685	3.0
561.25116	4.2
562.23773	0.4
564.23682	5.3
565.24237	1.8
567.25714	0.4
578.26251	0.3
579.26038	6.3
581.24506	0.6
592.23340	0.6
595.25745	3.1
596.26306	0.7
597.27246	0.4
607.25146	0.7
610.27399	0.7
621.26941	3.8
622.26202	0.4
624.25879	4.5
639.28156	100.0
640.28485	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	639.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36068	0.8
50.90141	0.7
53.03943	6.6
55.01875	5.3
55.05272	1.4
55.05516	18.9
56.48927	0.7
57.03441	7.8
59.04973	1.0
65.03951	2.3
67.05510	24.4
69.03428	12.2
69.07076	6.3
69.67332	0.8
69.94278	2.3
69.94688	1.8
71.01343	1.0
71.05003	6.9
73.02927	1.1
79.05496	23.4
81.03423	100.0
81.07062	24.5
83.04987	18.1
83.08622	20.4
85.02908	20.2
85.06557	2.5
87.04494	1.1
91.05488	29.7
93.07044	17.9
95.04977	28.7
95.08599	10.2
97.02895	13.8
97.06531	6.0
97.10176	7.7
99.04457	3.7
99.08109	1.9
103.03972	1.0
105.04556	0.9
105.07038	22.3
107.04961	9.1
107.08603	9.2
109.02892	17.3
109.06524	5.3
109.10171	4.4
111.04448	11.3
111.08097	12.7
113.06008	2.3
115.05491	2.0
117.06994	4.0
119.04971	1.4
119.08586	18.4
119.09370	1.4
121.06497	4.0
121.10150	9.5
123.04438	1.8
123.08094	4.1
123.11700	2.3
125.06017	1.0
125.09640	5.8
127.03919	7.4
129.05528	1.2
129.06998	11.4
131.04984	1.5
131.08577	12.6
133.06508	3.7
133.10133	9.4
135.04382	1.1
135.08109	2.6
135.11705	2.6
137.06030	1.3
137.09641	2.1
141.06993	1.0
142.07823	2.2
143.08565	1.1
145.06509	1.9
145.10167	3.9
147.04398	2.1
147.08072	3.2
147.11696	14.3
149.05969	1.2
149.09665	5.5
151.07526	1.1
153.12798	2.9
155.08557	1.0
157.10127	13.0
161.05997	1.6
163.03967	0.8
163.11194	5.8
163.24223	0.9
165.09145	2.2
165.12767	5.6
171.11772	2.1
173.04475	2.3
173.09683	2.0
175.11186	13.8
175.12544	1.0
181.12291	3.0
189.05498	1.7
189.11214	2.0
189.12804	2.0
191.10692	3.4
193.12256	42.9
195.13750	1.1
199.11157	1.1
211.13300	59.8
213.12756	1.1
217.12234	1.3
227.12668	6.2
229.14311	1.3
233.15616	0.8
235.13254	1.4
245.15411	1.2
249.15062	2.3
255.13928	1.1
259.13440	1.0
267.15939	25.7
273.14978	3.5
277.14423	0.9
278.03061	0.9
283.15408	2.0
285.16992	14.5
289.14496	1.1
291.16174	1.4
301.14209	5.7
313.16425	1.5
319.15353	1.9
337.16669	3.5
351.18042	1.3
355.17599	6.2
367.22800	3.2
375.18039	2.1
379.36694	0.8
385.23676	4.7
393.19113	4.0
403.24619	1.9
411.20236	5.0
429.21109	4.9
459.27374	14.1
459.33719	1.1
477.28546	18.5
495.22403	1.5
495.29593	24.0
501.28128	1.2
511.28488	1.5
519.29510	1.9
543.29865	1.7
557.31122	1.1
561.30475	1.2
567.30396	1.1
573.30542	2.0
585.30682	3.8
603.31500	4.9
621.32709	19.9
639.33783	46.9
640.34137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.6
55.01856	6.6
55.05508	27.6
57.03437	13.1
61.02946	2.9
65.03917	3.7
67.05506	50.3
69.03425	24.3
69.07069	17.2
71.05010	10.3
71.05311	2.0
71.52277	2.5
73.02904	3.6
73.06529	1.9
79.05495	60.2
81.03425	100.0
81.06608	3.1
81.07060	49.0
83.04510	2.2
83.04985	36.4
83.08626	23.3
85.02917	17.2
85.06564	3.6
91.05482	70.9
93.07048	41.6
95.04967	30.7
95.08607	19.8
97.02898	18.4
97.06529	9.5
97.10148	7.1
99.04456	4.5
99.08090	3.5
103.05416	2.3
105.07036	42.0
107.04952	25.0
107.08601	13.8
109.02905	13.6
109.06519	9.0
109.10137	7.3
111.04428	8.3
111.08052	8.7
112.27532	2.1
113.06026	1.9
115.05427	4.1
116.28084	2.0
117.07018	10.2
119.08569	33.0
121.06503	5.9
121.10138	15.6
123.04433	2.4
123.08107	5.1
125.09631	3.0
127.03925	10.9
128.06229	3.6
129.05479	3.0
129.07019	20.7
131.08562	26.9
133.06448	6.4
133.10135	34.6
135.04343	2.2
135.11687	5.3
137.09601	4.8
142.07782	5.0
143.08553	4.5
145.06451	3.2
145.10104	10.5
146.50279	1.9
147.04416	2.0
147.08028	6.4
147.11671	25.5
149.09619	9.3
149.13283	2.3
151.11160	2.8
153.12685	3.3
155.08517	4.4
157.06540	3.0
157.10144	29.1
161.13199	2.2
163.03859	5.8
163.11185	8.6
165.09174	3.0
165.12721	4.7
169.10139	2.7
169.12321	1.9
170.07784	1.8
173.04500	3.3
173.09566	3.3
175.11198	22.1
181.12292	2.6
191.10565	2.4
193.12248	49.6
209.11603	2.6
211.11345	4.4
211.13269	39.9
217.12236	2.2
227.12726	5.8
229.14291	3.9
237.12810	2.7
249.14882	4.0
252.86862	2.2
255.13780	3.6
267.15921	92.3
268.94858	2.4
269.90881	2.0
273.14975	4.6
283.15399	5.8
285.16931	11.6
355.17554	2.0
413.17752	3.1
429.21109	8.4
459.27420	89.0
477.28531	29.4
543.50226	2.2
603.31238	3.0
621.32635	30.2
639.29822	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	639.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.7
53.36928	1.1
55.01876	4.8
55.05516	17.2
57.03440	7.6
59.05014	8.8
65.03944	1.7
67.05512	26.2
69.03437	18.7
69.07079	6.6
71.01386	2.1
71.05004	7.7
71.08634	1.0
73.02917	1.4
79.05068	2.1
79.05505	26.2
81.03427	100.0
81.07064	30.7
83.01331	1.4
83.04987	17.4
83.08632	20.2
85.02914	29.8
85.06557	2.2
85.44735	1.4
86.03287	1.6
87.04489	7.7
88.04823	1.4
91.05493	33.4
93.07057	21.5
95.04975	29.6
95.08604	11.1
97.02899	27.3
97.06525	5.7
97.10153	6.7
98.03220	1.6
98.18204	1.1
99.04475	4.8
103.05508	1.5
105.04525	1.3
105.05533	5.2
105.07045	23.2
107.04966	13.9
107.08610	10.4
109.02885	18.3
109.06567	5.7
109.10159	7.7
111.04460	13.2
111.08095	10.3
113.06039	3.3
115.05467	1.9
117.07039	5.6
119.04988	3.0
119.07799	2.4
119.08589	23.4
119.09380	1.9
121.06515	6.9
121.10157	13.6
122.06841	1.2
123.04471	2.2
123.08111	3.8
123.11745	5.0
125.05980	1.4
125.09657	3.7
127.03937	15.8
128.04289	1.8
129.05533	3.1
129.07011	10.9
131.08595	9.1
133.06506	4.2
133.10136	10.6
135.04431	2.6
135.08095	2.0
135.11765	3.0
137.05991	27.9
137.09669	3.9
138.06319	11.1
142.07809	2.9
143.08510	1.6
145.05005	6.5
145.06470	2.3
145.10176	6.4
147.04417	10.6
147.08070	3.7
147.11696	19.5
149.05981	2.6
149.09613	7.7
151.07552	6.1
151.11253	1.8
153.12796	1.7
155.08577	2.2
157.10147	12.3
159.11740	1.7
161.06065	1.9
161.09691	1.2
163.03929	10.7
163.07596	1.7
163.11148	5.8
165.09137	19.6
165.12788	2.5
167.07114	1.6
169.12357	1.7
171.08142	1.5
173.05936	1.2
173.09636	1.4
175.07678	1.4
175.11162	13.3
177.05698	1.3
177.09119	3.1
177.12877	1.4
178.09502	1.6
181.12297	2.6
185.13304	2.0
186.09706	1.3
187.07666	2.0
187.11194	1.3
189.09302	1.5
189.11227	1.5
189.37035	1.2
191.10719	3.4
193.12265	38.5
199.11159	1.3
203.10599	1.4
205.12294	3.0
211.13307	58.0
227.12845	4.6
229.14407	1.8
231.08688	3.5
232.08984	1.6
235.13382	2.0
249.09897	2.1
250.10130	2.3
267.15897	24.7
273.15030	3.4
283.15536	1.6
285.17010	12.5
301.14310	5.7
305.11987	1.9
306.11993	2.4
309.16956	1.5
313.16525	1.8
319.15588	2.8
324.13202	1.5
337.16833	1.7
355.15067	1.8
355.17648	4.6
356.15842	8.1
367.22766	1.9
373.16525	6.0
374.16803	10.9
375.17969	2.2
385.23767	3.6
393.19199	2.9
403.24664	2.1
411.20331	6.8
429.21176	5.4
441.33813	1.3
459.27481	14.0
477.28546	15.1
495.29486	13.9
502.98694	1.5
511.28940	1.6
519.29742	2.2
561.30524	2.2
573.30859	1.8
580.38159	1.4
585.30725	3.9
603.31830	4.9
621.32660	18.3
639.33826	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.01868	0.2
55.05521	0.3
57.03438	3.1
59.05006	0.2
63.02399	0.2
65.03913	0.1
69.03435	1.4
70.95205	0.2
70.95523	0.2
71.01371	0.4
71.04996	20.8
73.02921	0.4
75.04488	0.8
79.05497	0.6
81.03424	0.5
83.04987	1.0
84.90996	0.1
85.02907	22.7
87.04478	0.6
88.91560	0.2
89.03912	2.0
89.04428	0.2
91.05493	0.5
95.04968	0.2
97.02900	3.7
99.04459	1.0
101.02432	0.2
103.05436	0.2
106.98630	0.1
107.04961	3.1
108.95435	0.1
109.02876	0.3
111.04453	0.8
117.03391	3.5
118.56931	0.1
119.04959	0.5
119.10062	0.1
122.02535	0.1
123.04453	0.6
127.03932	0.5
129.05482	6.1
131.04913	0.2
133.24820	0.1
135.04417	10.4
137.06024	0.8
144.06580	0.2
145.02846	7.7
146.03255	0.2
146.08095	0.8
147.04437	2.0
147.06508	2.3
149.05943	0.3
153.05479	4.1
163.03906	100.0
164.04271	0.6
164.07051	0.7
164.09186	0.8
165.05505	0.4
173.05890	0.2
177.05510	0.5
181.04956	1.9
181.59866	0.2
189.05360	0.2
219.06567	0.2
245.08139	0.2
273.07587	0.4
281.10226	0.2
291.08618	0.3
307.08127	0.8
309.09714	1.4
325.09186	18.2
413.65588	0.1
459.12619	0.3
471.14990	0.3
640.22180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.1
53.03948	0.3
55.01870	0.3
55.05511	0.3
56.96572	0.3
57.03441	3.1
59.05001	0.2
60.04515	0.1
61.02927	0.4
62.01594	0.1
63.02395	0.3
67.17929	0.1
68.39620	0.1
69.03429	1.9
69.87451	0.1
70.34706	0.3
71.01366	0.4
71.04996	21.5
73.02928	0.6
75.04480	0.8
75.81185	0.1
79.05492	1.0
81.03425	0.8
81.07071	0.1
83.04990	0.8
84.96049	0.2
85.02910	25.3
86.03230	0.1
86.06060	0.1
87.04472	0.7
89.03915	2.2
91.05495	0.4
95.04974	0.2
97.02896	3.9
98.03205	0.1
98.97576	1.3
99.04470	1.1
101.02365	0.2
103.03980	0.1
103.05468	0.1
105.04483	0.1
107.04964	3.1
107.08599	0.1
108.20335	0.1
109.02889	0.4
109.06564	0.2
110.97544	0.1
111.04451	0.8
112.99187	0.1
115.03884	0.1
115.05370	0.1
115.35292	0.1
116.98625	0.3
117.03393	3.3
119.01894	0.1
119.04924	0.3
121.06505	0.2
123.04436	0.4
126.05505	0.1
126.10725	0.1
127.03947	0.9
127.32577	0.1
128.98602	0.1
129.05486	6.6
131.04909	0.2
135.04424	10.0
137.05995	1.5
143.00114	0.2
144.06619	0.1
145.02847	7.3
145.04968	0.6
146.08130	1.0
147.04414	0.3
147.06516	2.0
149.05977	0.4
153.05470	4.7
158.99649	0.6
161.01242	0.1
163.03909	100.0
164.04201	0.6
164.09207	1.0
165.05481	0.3
167.07065	0.1
170.08136	0.2
173.05975	0.2
177.00739	0.2
177.05469	0.4
181.04971	1.9
189.00801	0.1
189.05518	0.1
191.03763	0.1
191.07159	0.1
193.04993	0.3
195.03316	0.1
197.01215	0.1
201.00710	0.2
203.07080	0.1
211.02782	0.2
211.06094	0.2
215.02361	0.1
219.01744	0.4
219.06541	0.2
221.04938	0.1
229.07159	0.1
231.06505	0.1
237.02806	0.3
239.02234	0.1
241.03804	0.2
243.01871	0.1
245.05283	0.1
245.08203	0.1
253.03513	0.1
259.04849	0.1
261.02917	0.2
261.07639	0.1
272.06186	0.1
273.07358	0.2
273.56467	0.1
279.03809	0.1
285.02774	0.6
286.03159	0.4
291.08560	0.3
293.04910	0.1
297.08099	0.1
303.03912	0.6
304.04239	0.4
307.08188	0.7
309.02383	0.1
309.09732	1.0
310.03113	0.1
311.05948	0.3
325.09186	18.8
326.09464	0.3
327.03891	0.8
328.04364	0.6
340.10431	0.1
353.07089	0.2
363.60165	0.1
369.05020	0.2
373.08298	0.1
429.06955	0.3
430.07339	0.5
447.08115	0.2
448.08493	0.7
459.12732	0.3
471.14764	0.3
490.09460	0.3
640.22174	0.1
641.17792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.7
51.02376	1.6
53.03950	2.1
53.10779	0.3
55.01865	0.5
57.03425	1.1
60.55824	0.3
69.03433	8.2
69.07053	0.5
71.04983	1.0
72.55637	0.3
73.02888	0.6
77.57876	0.3
78.03456	23.7
79.04239	0.4
79.05486	0.5
80.05022	3.5
81.03420	14.0
81.07045	0.9
83.08610	0.4
85.02909	7.2
91.05471	0.9
94.04192	1.0
95.08599	0.6
96.04490	4.1
97.02891	4.7
98.20744	0.8
99.04470	2.3
103.05557	0.3
106.02918	65.0
107.04942	0.5
109.02880	8.0
109.06577	0.4
110.42125	0.3
117.07015	0.4
119.06060	0.6
121.06502	3.0
122.03643	2.3
123.11690	0.4
124.03957	100.0
127.03931	4.8
135.04466	0.3
136.05179	0.8
137.05983	37.9
145.06490	0.6
146.07285	1.8
147.08006	0.5
149.05989	1.8
151.07552	9.1
157.06564	0.3
161.05998	1.6
162.06744	0.7
163.03931	0.6
165.05510	1.0
165.09131	0.6
166.05000	1.5
173.05984	0.4
174.06816	0.4
175.07480	0.3
177.05553	0.9
177.09102	5.9
179.07039	0.7
187.07555	0.4
189.09106	1.1
191.07076	0.3
191.10645	0.7
196.06093	0.5
201.09143	0.7
202.04951	0.4
203.07021	0.3
203.10651	0.5
205.08670	0.5
208.06079	0.9
217.08684	0.4
219.10223	0.8
226.07027	0.6
232.06090	1.1
237.11244	1.8
245.09685	0.3
246.10374	0.3
250.07120	13.3
262.09872	0.4
268.08160	60.4
269.08472	0.8
273.09308	0.4
274.10065	0.6
275.10571	0.5
277.12296	0.7
290.09445	0.9
291.10110	0.6
293.28506	0.4
295.13226	1.4
305.08276	0.3
305.11761	5.4
323.12793	3.2
337.14377	1.8
355.15408	8.2
373.16476	5.9
591.31268	0.3
604.21185	0.4
640.23883	38.9
641.23871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.9
51.02371	1.9
53.03939	2.3
55.05504	1.5
57.03429	1.5
61.19548	0.5
67.05493	2.1
69.03430	8.5
69.07058	1.9
69.28965	2.7
69.29391	1.8
70.06558	0.6
71.04986	2.1
73.02924	0.6
74.09714	0.5
78.03456	22.0
79.05477	1.6
80.05009	2.5
81.03418	15.3
81.07055	4.5
83.04988	0.9
83.08614	1.2
83.30323	0.5
85.02908	7.8
86.09698	0.7
89.03867	0.6
91.05476	2.6
93.07050	1.6
94.04193	1.1
95.04984	1.5
95.08594	4.1
96.04491	4.9
97.02895	6.5
97.06542	0.7
97.10183	0.8
99.04459	2.0
100.07634	0.6
100.09721	0.6
105.07013	1.3
106.02916	71.8
107.04954	1.5
107.08582	1.5
109.02885	10.9
109.10191	2.6
111.11744	1.1
117.07057	1.2
119.06054	1.0
119.08657	0.6
121.06503	2.8
121.10140	1.5
122.03657	2.8
123.11710	1.4
124.03957	100.0
127.03916	5.7
131.04924	0.7
131.08583	0.7
133.06497	0.6
135.04410	1.3
136.05203	0.7
137.05978	57.6
137.13184	1.0
139.07498	0.8
145.02869	1.0
145.05016	0.7
145.06467	0.9
145.10155	0.8
146.07251	1.3
147.04366	0.7
149.05991	1.4
149.13358	1.2
151.07555	10.5
151.14828	0.7
157.10095	0.7
161.06024	1.6
162.06714	0.7
163.03899	9.7
163.07581	0.8
163.14902	0.7
165.05391	0.8
165.09100	4.6
166.05006	2.0
167.14319	0.8
175.07573	1.7
177.05505	1.3
177.09122	6.0
179.07051	1.0
189.09158	1.5
201.09070	0.8
203.10710	0.8
205.08698	0.8
214.18069	2.7
219.10220	0.6
232.06100	1.6
233.11926	0.7
237.11172	2.8
250.07129	11.3
252.03448	0.6
257.51306	0.6
259.07236	0.6
262.09976	0.7
268.08163	57.4
274.09882	0.6
275.27231	1.2
293.28201	3.0
295.13330	1.4
305.11673	5.9
308.26932	0.6
311.29382	1.2
323.12891	2.5
325.09216	2.0
337.14374	2.7
339.16040	1.2
355.15466	8.5
373.16388	7.6
640.23840	40.1
641.25171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.8
59.37286	1.4
67.05489	4.8
69.03414	1.9
71.08640	1.6
71.53116	2.3
76.20455	1.4
77.06403	1.4
77.85075	1.4
79.05488	4.1
81.07047	3.5
89.16180	1.3
90.39265	1.4
90.72767	1.4
91.05490	2.9
93.07024	3.4
94.58927	1.3
95.04971	1.6
95.08586	4.2
100.53423	1.8
105.07017	2.1
106.22013	1.3
107.08579	1.8
109.10191	2.5
131.08638	1.9
143.72910	1.6
161.85757	1.5
163.03868	2.8
181.64479	1.6
227.12729	2.1
283.15497	3.4
293.21048	1.5
351.25150	3.5
411.15405	1.5
421.12613	3.1
422.13727	6.7
422.19543	1.6
423.14478	5.2
435.14426	5.2
436.15302	5.5
437.16232	9.5
438.16699	1.6
441.15625	2.0
450.16464	1.7
451.17712	4.7
452.18536	2.0
453.24750	1.9
464.14828	3.5
465.15674	6.3
477.28656	7.9
478.15985	3.8
479.17087	5.2
480.18167	3.4
493.18958	8.0
494.19769	3.3
495.16580	5.8
507.16739	3.0
508.17508	9.1
509.18198	6.0
512.16730	7.7
521.18109	14.2
522.14600	4.5
526.14496	2.1
551.44312	1.8
553.20868	5.3
580.26276	7.4
581.20313	60.5
599.21210	11.0
622.22736	7.1
622.41907	2.0
640.28284	25.0
640.43292	5.7
641.22437	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	640.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73576	4.0
55.05501	16.0
57.03426	14.6
67.05513	45.3
67.29118	3.9
67.54080	3.8
69.07064	11.8
69.20867	17.1
69.21291	25.6
79.05499	32.0
81.03427	45.5
81.07065	43.0
83.08620	16.2
85.06539	5.6
91.05495	21.0
93.07050	30.6
95.04954	19.1
95.08617	30.3
97.10189	6.3
98.20768	6.1
103.94249	3.4
105.07040	13.4
107.08607	19.9
109.10123	16.3
111.08092	6.4
117.06963	6.3
119.08548	19.6
121.10133	17.4
129.07077	5.5
131.08553	14.8
133.10156	8.4
135.11702	7.9
145.10120	9.4
147.11671	6.3
149.09650	6.0
149.13374	4.1
157.10175	8.8
159.11775	4.2
175.11156	4.6
193.12196	20.3
194.99562	4.1
254.38014	4.1
261.22141	19.3
267.15924	100.0
317.24634	5.5
335.25851	84.1
447.48434	4.9
471.35495	4.7
527.37372	50.8
545.38281	24.8
590.43799	10.3
640.28046	18.9
641.28027	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	640.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
53.03949	1.2
55.01868	2.2
55.05515	23.0
56.05853	0.5
57.03443	4.6
57.07079	16.2
65.03934	1.2
67.05510	23.2
69.03436	2.9
69.07072	10.4
69.15955	5.6
69.16235	0.4
71.04996	0.9
71.08635	9.9
79.05499	20.4
81.07059	19.5
81.07536	1.0
83.04972	3.0
83.08626	16.9
85.06552	1.2
85.10179	5.1
91.05492	9.8
93.07052	12.3
95.04963	1.7
95.08614	11.9
97.06535	1.7
97.10177	31.8
98.20824	1.4
99.08086	0.6
105.07035	10.5
107.04955	1.1
107.08604	29.0
109.06536	1.4
109.09486	0.9
109.10167	9.1
111.08104	2.3
111.11712	0.8
117.07021	5.2
119.08595	5.4
121.10130	3.1
123.11733	2.3
125.09637	29.3
129.07027	1.2
131.08586	3.3
133.10141	5.9
135.08066	4.0
135.11670	2.1
143.08566	1.3
143.10686	1.5
145.10139	6.3
147.11711	3.7
149.09612	2.3
149.13254	1.1
151.11185	0.7
153.09111	1.8
157.10115	1.8
159.11702	3.5
161.13326	1.5
163.11165	0.6
169.10098	0.8
171.10190	2.4
171.11702	1.5
173.11754	0.5
173.13197	1.1
175.14825	0.5
177.12624	0.6
183.11736	0.9
185.13293	1.6
187.50269	0.5
189.11223	16.0
197.13228	0.8
203.14442	1.1
219.17467	1.7
227.12793	100.0
228.49973	0.6
239.17953	1.6
239.23706	0.9
255.15913	0.6
257.19003	6.5
269.17322	0.5
275.20071	20.7
276.20486	0.8
293.21039	0.5
311.25781	2.0
312.26160	1.0
313.27362	32.3
331.22617	3.0
349.23746	23.7
350.24219	0.8
369.30136	0.9
427.81018	0.5
483.36792	7.3
493.37564	1.3
505.38864	4.2
506.39240	0.6
507.39499	2.4
569.45532	1.2
587.46729	25.5
605.47498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.0
55.01865	2.8
55.05517	21.3
55.11824	1.1
57.03439	12.3
57.07080	45.1
62.88519	1.3
65.03939	2.8
67.05509	54.3
67.56866	1.1
69.03426	2.7
69.07072	28.2
69.25757	11.1
71.04993	2.9
71.08634	31.6
79.05497	34.7
81.03401	4.6
81.07062	67.0
83.04980	9.4
83.08620	19.7
85.06522	3.0
85.10188	17.0
90.77612	1.1
91.05484	34.9
93.07047	39.8
95.04979	8.8
95.08612	47.5
97.06519	7.5
97.10162	8.0
103.05452	1.4
105.07041	25.8
107.04954	3.8
107.08595	18.2
109.06531	3.9
109.10164	17.3
111.08053	4.5
111.11727	1.4
114.54288	1.6
117.07013	11.5
119.08594	22.1
121.06477	2.6
121.10145	11.8
123.08048	3.6
123.11727	7.2
125.09528	2.1
129.06979	3.7
131.08545	13.4
133.10141	16.7
135.08037	4.2
135.11716	9.0
137.09631	2.3
137.77383	1.3
143.08546	3.0
145.10141	8.2
147.11668	7.5
149.09625	6.3
149.13258	8.7
151.11168	1.8
157.10042	2.1
159.11732	7.7
161.09593	1.3
161.13293	2.4
163.11157	3.5
169.10181	1.8
171.11632	2.0
173.13217	2.9
177.12753	3.4
181.12184	1.2
183.11641	1.5
185.13295	2.2
195.13797	5.5
197.13184	1.3
229.19453	2.2
239.17969	3.1
239.23679	3.6
251.16331	2.8
255.15904	12.0
257.19049	8.3
257.24716	2.0
267.15894	2.9
269.17487	15.8
275.20090	29.2
291.19568	2.2
293.21225	1.9
309.20380	1.4
311.25818	1.8
313.27371	75.9
331.22668	2.2
341.26910	1.4
349.23785	19.9
367.24765	2.5
467.37045	2.9
493.39041	14.9
505.38623	3.8
507.40466	100.0
547.43359	3.3
587.46838	14.5
598.16382	1.3
605.47534	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	640.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10847	1.4
53.03941	2.7
55.01864	5.1
55.05516	23.9
57.03447	15.7
57.07084	43.9
67.05511	53.1
69.03444	3.4
69.06720	3.0
69.07078	30.5
71.05001	1.9
71.08634	32.3
71.53090	1.6
71.97027	1.7
79.05501	35.5
81.03418	2.8
81.06591	3.8
81.07062	55.3
83.05000	4.7
83.08624	21.5
83.70535	1.6
85.06547	3.5
85.10191	16.2
90.52309	1.6
91.05485	26.8
93.07046	32.5
95.04990	4.7
95.08613	39.8
97.06534	7.0
97.10172	18.2
99.08122	2.1
103.05460	1.7
105.01602	1.6
105.04560	1.9
105.07045	30.1
107.04971	4.1
107.08604	30.2
109.06535	2.1
109.10160	21.6
111.08071	3.7
117.07008	12.4
119.08589	23.3
121.10159	11.9
123.08121	2.2
123.11731	5.5
125.09624	14.3
129.07021	2.9
131.08577	14.4
133.10147	17.5
135.08078	4.0
135.11722	8.0
137.13252	2.5
143.08604	2.9
145.10104	9.3
147.11734	11.4
149.09570	8.6
149.13286	6.8
151.11243	3.4
153.00919	1.6
157.10106	2.1
159.11722	10.1
161.09532	2.4
161.13284	4.3
163.11197	5.8
171.11777	3.5
173.13286	3.8
179.14360	2.9
183.11757	3.8
185.13336	2.0
187.14902	2.2
189.11256	6.9
195.13887	2.3
199.14772	1.7
217.15953	2.1
225.03995	2.0
227.12791	39.3
229.14354	4.3
229.19507	4.3
239.17883	3.9
239.23657	5.1
247.20595	2.8
255.15822	11.4
257.19031	14.0
257.24707	3.5
267.15854	2.5
269.17508	11.2
275.20087	41.6
276.56836	1.9
293.21127	5.7
311.25827	3.8
313.27386	100.0
331.22702	3.3
349.23767	35.8
409.33002	5.6
467.37308	10.3
483.36679	3.5
491.40936	3.9
493.38913	11.2
507.40576	23.1
524.43323	2.8
547.43555	2.2
558.97864	1.9
587.46710	31.1
605.47675	2.4
637.39380	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	641.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
54.09424	0.4
55.01863	0.4
56.96333	0.4
56.96566	3.5
57.03408	1.4
57.90216	0.4
61.37003	0.3
69.03409	1.6
71.05002	4.5
71.38527	0.9
72.05303	0.7
73.02888	0.6
74.45029	0.4
77.00931	0.5
78.76135	0.4
79.05468	1.0
81.03402	0.8
82.99859	1.0
84.96022	0.9
85.02457	0.6
85.02914	9.2
86.03201	1.2
89.03896	0.9
91.05482	1.1
95.04967	0.4
97.02896	2.7
98.96943	0.5
98.97588	10.3
99.04444	0.5
99.09070	0.4
101.00880	4.3
103.05473	0.5
105.00146	0.4
105.07014	1.4
107.04948	0.7
109.02849	0.9
110.97552	2.8
113.00842	0.6
115.02390	0.6
116.98630	2.8
117.03365	0.6
119.01068	0.4
119.01929	7.7
119.04942	3.2
121.06485	1.0
123.01183	0.7
124.99134	0.5
127.02434	1.0
127.03901	1.5
128.98650	3.0
129.05444	1.3
131.00204	0.4
131.01918	2.1
133.03441	1.6
134.99602	0.4
135.04428	2.0
136.04752	0.5
137.02931	0.6
137.05962	1.6
140.98572	1.0
141.02199	0.5
141.03963	0.6
143.00143	1.8
143.01898	9.6
145.03429	3.2
145.04930	1.4
145.37621	0.4
146.99654	1.0
147.01411	0.6
147.04402	4.7
149.02930	0.5
149.04372	0.5
149.05988	0.8
152.92622	0.3
152.98587	0.4
153.02299	0.7
153.03926	1.3
153.05453	1.1
155.01927	2.6
155.05495	1.2
157.03459	1.2
158.99661	4.3
159.05025	0.4
161.01448	0.7
161.02972	9.9
161.04343	0.9
163.02505	1.0
163.03911	20.5
163.05952	4.9
164.04227	7.1
165.04230	0.5
165.05470	2.5
167.01794	0.4
169.03496	0.7
170.99669	3.1
171.05077	2.2
173.01422	0.6
173.02951	2.1
173.06602	0.9
175.03964	1.5
177.00716	2.7
177.03986	1.0
179.00211	1.3
179.04099	0.6
179.05540	2.0
181.03479	3.5
181.07112	4.1
182.99701	2.0
183.05093	0.6
184.04402	0.5
185.01360	0.5
185.02933	1.9
185.04468	0.7
189.00691	2.6
189.03949	3.0
191.05434	0.4
191.51961	0.4
193.00226	0.5
193.03307	0.9
193.04987	13.1
195.03526	0.5
195.05084	2.8
197.01224	5.3
197.02884	0.7
197.04831	0.5
197.06580	2.2
199.04524	3.9
199.08168	1.8
201.00734	5.9
203.02263	0.5
203.03981	6.1
203.05617	0.6
205.03545	2.0
205.07193	0.6
207.03162	0.8
207.05043	12.9
209.06654	2.0
211.08058	0.5
213.06085	0.5
215.02225	3.9
215.03957	0.7
215.07666	0.5
219.01784	5.7
219.05003	0.9
221.04994	8.1
223.01057	0.6
223.02826	0.6
223.04588	6.2
223.08150	1.6
225.06088	7.5
231.01555	1.0
231.05139	2.1
233.03004	3.2
233.06686	1.0
235.04498	1.4
235.08156	0.5
237.02821	4.7
237.06050	1.3
239.02313	2.3
239.07791	0.7
241.03571	4.5
241.06100	2.5
243.01759	2.4
243.07155	3.1
247.04539	5.4
249.06120	3.0
251.04070	10.4
251.06830	0.6
253.05573	1.2
255.03883	1.4
257.03046	2.1
259.04849	5.5
261.02881	6.6
261.05811	0.6
263.07651	0.8
265.05698	3.7
267.07288	3.8
269.05145	3.3
269.08936	0.4
275.03986	4.4
277.05704	1.1
279.03903	4.1
279.07123	1.2
283.04886	2.9
285.02829	0.6
285.08224	1.7
291.03860	1.0
291.06946	0.7
293.05078	27.5
297.08197	0.8
301.05933	1.2
303.04218	1.0
303.07211	1.5
307.06573	1.1
309.07999	1.8
311.06131	100.0
312.06348	1.4
313.06061	1.0
318.06058	1.0
321.04910	2.4
321.08258	0.9
325.07623	11.6
326.09610	2.0
327.03900	1.2
329.07227	12.4
333.07928	0.7
334.07657	3.5
335.06262	0.5
337.07852	0.8
341.05704	1.3
343.08908	2.8
347.06296	0.6
351.05548	0.6
351.09338	4.9
353.07199	66.3
354.07370	1.3
362.10071	0.5
369.05887	0.5
369.10364	7.7
371.08340	7.3
381.07202	1.3
385.08084	2.6
387.11182	0.6
394.09808	1.6
395.08359	3.4
403.09048	3.0
413.09314	30.7
431.10403	21.6
447.08484	0.7
454.12009	1.2
521.11902	2.8
565.14410	19.2
581.13959	0.4
597.16559	9.3
597.31360	0.5
641.18274	2.9
643.72449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11903	0.7
56.96304	1.0
56.96566	9.8
57.52553	0.5
57.77998	0.6
59.74193	0.5
59.76907	0.5
65.96250	0.6
69.03431	0.8
73.43732	0.6
84.68262	0.6
84.96032	4.8
85.02901	1.5
91.22769	0.6
97.02869	1.0
98.97585	39.0
101.00905	1.3
105.00166	3.7
110.97574	15.2
112.99144	1.3
116.98631	9.9
119.01940	2.7
119.04990	0.7
123.01199	3.2
124.99109	2.3
128.98608	10.0
131.01851	0.8
134.99693	1.5
135.01163	0.8
139.00761	1.0
140.98604	5.3
141.02225	1.5
143.00171	7.6
143.01848	3.2
144.40295	0.8
144.98048	0.9
145.03488	1.4
145.04933	0.9
146.99677	3.8
147.04419	1.8
152.98611	2.8
152.99683	0.9
153.02321	3.9
153.03491	0.9
153.03856	0.8
155.01932	1.4
157.03513	0.7
158.98357	0.9
158.99655	15.0
161.01303	4.3
161.02930	2.8
163.03902	2.1
163.06047	1.7
164.04282	1.0
165.05484	0.7
168.00194	0.8
170.99664	15.2
171.03308	1.7
173.01262	1.6
174.99112	0.9
177.00737	9.1
179.00128	6.4
179.03781	1.3
181.03476	1.6
181.07143	1.4
182.99638	12.3
183.01015	1.0
185.01231	1.9
185.02917	0.8
185.04718	0.7
189.00726	10.6
189.03973	1.1
193.04965	3.9
194.99492	0.9
195.03406	0.9
195.05069	0.9
197.01221	28.0
197.04903	2.3
197.06508	0.9
199.04556	1.8
199.08279	1.1
201.00703	30.2
203.02222	1.7
203.04068	2.0
204.04482	0.8
205.01762	0.8
205.03488	2.0
207.04962	5.0
211.02948	0.9
213.00726	2.6
215.02274	18.8
215.05786	1.1
219.01767	24.1
221.05112	2.6
223.02818	5.7
223.04509	1.4
225.06123	1.9
231.01764	4.9
233.03197	1.8
237.02797	11.6
239.02284	9.6
241.03822	25.3
243.01804	12.2
243.07227	1.4
247.04543	2.3
249.02870	1.4
249.06227	0.9
251.04121	3.2
255.03880	2.9
257.03381	4.1
259.04901	20.7
261.02823	32.7
265.05936	0.8
267.07138	1.6
273.02853	2.7
275.04071	1.6
277.05914	1.3
279.03879	15.5
283.04901	13.9
291.03864	7.6
293.05127	9.2
301.05942	4.8
302.05173	1.0
302.55127	0.7
309.04837	1.1
311.06143	33.1
313.05905	3.1
321.04999	9.4
325.07840	4.1
329.07098	4.3
333.04742	0.8
341.05396	5.9
343.06894	5.1
351.05945	1.8
353.07178	20.3
357.10800	0.7
359.06519	2.4
367.06985	1.6
369.10428	2.2
371.08264	2.7
381.07059	6.5
385.08093	10.1
395.08307	2.0
399.08099	2.6
403.09088	14.5
413.09293	10.6
431.10245	6.0
445.10422	1.3
473.10742	1.1
521.11847	13.9
547.13464	1.2
565.14417	100.0
566.14648	2.5
597.16766	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	641.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
53.03938	2.4
55.01864	1.3
65.03941	0.9
69.03417	1.8
71.04958	1.2
71.47136	0.9
77.03923	2.3
81.03429	4.4
83.59080	0.9
85.02885	3.0
89.03915	4.9
91.05483	15.9
93.07033	2.6
95.04967	1.5
97.02893	1.4
103.05449	3.0
105.03428	5.2
107.04948	2.1
109.02895	1.3
109.06568	0.8
111.83723	0.8
117.03388	6.3
119.04944	19.5
121.06525	4.9
122.03651	3.0
128.99200	0.8
133.02859	100.0
134.03575	1.5
135.04445	5.2
137.04924	1.4
137.05975	21.5
145.02885	6.8
145.06400	0.9
147.04422	13.6
149.04785	1.9
149.05988	38.2
150.06769	15.7
151.68178	0.9
157.03973	2.8
158.03728	0.9
161.05995	7.5
162.03186	1.0
163.03923	6.6
164.04221	1.9
164.07112	0.9
165.05495	13.8
167.24863	0.8
173.06004	2.6
175.03922	45.8
177.05496	16.4
177.06993	2.7
179.07050	1.2
189.05463	1.4
194.07152	1.4
201.05455	14.6
203.06992	1.4
205.06500	5.9
219.08138	1.3
221.05882	2.1
222.06813	2.4
233.05974	13.1
233.08122	1.5
233.51010	0.8
237.09052	1.7
245.08224	0.9
247.07576	2.3
249.05458	5.4
250.06166	2.3
261.05511	5.4
264.07809	2.5
265.08566	6.2
275.07031	2.0
277.04910	3.3
278.05801	1.1
279.10248	0.9
292.07315	7.1
293.08057	10.4
297.11130	1.3
307.09732	4.0
315.11346	1.0
325.10736	59.9
469.15057	4.9
487.15912	5.0
602.38239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69016	0.3
67.05496	0.6
79.05481	0.3
81.07068	0.3
91.05477	0.3
93.07039	0.6
95.08593	0.3
107.08589	0.4
148.48335	0.3
152.51883	0.3
165.79143	0.3
165.93362	0.2
169.55696	0.2
220.25105	0.3
321.57336	0.3
396.13464	0.7
398.91855	0.3
407.11438	0.8
408.12067	1.2
409.13303	0.5
410.14691	1.2
411.15262	0.7
414.14337	0.6
419.11526	0.3
421.12939	2.4
422.13788	6.2
423.14774	3.9
424.15756	1.8
425.16281	1.1
426.17169	0.3
427.14694	0.3
428.16089	0.8
429.17001	0.5
435.14587	4.5
436.15405	5.4
437.10757	0.5
437.16257	8.3
438.17389	2.2
439.17542	1.1
441.15820	0.7
442.18018	0.4
447.14807	0.3
448.15625	0.4
449.16534	2.4
450.17624	3.4
451.18549	4.9
452.19205	1.9
454.12442	0.4
455.17206	1.0
457.16388	0.4
461.15958	0.6
462.13290	0.4
463.14291	1.1
464.14447	3.8
465.15747	4.7
465.20453	1.3
466.15372	1.2
467.17267	1.1
468.14304	0.4
469.14697	2.0
470.16678	0.5
477.16162	1.3
478.16492	2.6
479.17572	3.8
480.18155	4.1
481.14655	0.7
481.19827	0.6
482.15976	1.0
483.16748	0.8
484.17789	0.8
492.17661	1.0
493.19244	6.9
494.14844	0.5
494.20651	1.7
495.16443	5.5
496.17743	1.4
497.14648	0.8
498.15479	2.5
506.15976	2.1
507.16815	2.3
508.17471	8.2
509.18268	6.3
510.16129	0.8
512.16962	5.4
512.24176	0.5
520.17297	0.5
521.18231	13.4
522.15948	4.2
523.15997	0.3
523.19989	0.4
524.17279	0.8
525.21722	0.8
526.14648	2.1
535.16718	0.4
537.17920	0.5
538.18854	1.0
539.19354	1.0
549.17517	1.7
550.18872	0.3
552.20258	0.6
553.20862	4.0
563.18256	0.5
566.18408	0.3
581.20331	59.0
582.20447	2.0
599.21362	8.1
600.21960	0.4
608.97601	0.3
609.19946	1.4
622.23102	5.5
641.22375	100.0
642.22485	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.5
58.98505	0.9
61.88327	1.1
67.05504	2.3
67.26508	1.0
70.87537	1.9
70.87851	1.1
71.04979	1.2
79.05502	3.3
81.03407	1.9
81.07048	3.9
85.02922	2.0
88.59744	0.9
91.05473	2.3
93.07050	1.8
95.04964	1.8
95.08578	1.6
96.08344	1.0
107.07346	0.9
107.08597	1.4
112.55350	0.9
115.00636	1.2
119.08597	1.9
131.08549	1.8
163.03943	3.4
164.04234	1.5
169.37114	0.9
421.13196	2.9
422.13757	5.4
423.14795	4.6
424.15332	1.3
429.16769	1.7
435.14639	4.0
436.15518	7.1
437.16333	7.9
439.17535	1.9
441.15738	1.3
449.16357	2.7
450.17545	2.4
451.17709	4.0
452.18976	2.1
464.14746	2.4
465.15802	4.6
466.16299	1.9
469.14923	1.7
478.16403	2.0
479.17462	4.9
480.18146	3.5
482.16278	1.9
493.19159	8.3
494.19543	1.9
495.16327	8.5
498.15442	1.8
506.16046	2.8
507.16763	2.5
508.17603	9.7
509.18542	4.9
512.17133	5.0
521.18311	15.0
522.15991	5.8
526.15424	2.8
539.18915	1.3
549.17725	1.2
553.20782	4.9
563.19067	1.2
581.20386	64.9
582.21118	1.5
597.28027	1.4
599.21204	9.9
609.19727	1.8
622.22882	6.6
623.24988	1.9
641.22449	100.0
642.23468	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	641.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47510	0.2
57.06997	0.3
67.05432	0.2
69.06990	0.3
69.50671	1.6
81.06946	0.3
91.05419	0.4
95.08516	0.3
98.70074	0.2
105.06938	0.3
135.02072	0.2
146.82915	0.2
162.58606	0.2
165.95377	0.2
313.27206	0.3
367.19595	0.2
396.13336	0.4
407.11407	0.4
408.12305	0.8
409.13062	0.7
410.14426	1.1
411.15317	0.7
414.14929	0.5
421.12991	2.4
422.13855	5.8
423.14664	4.2
424.15942	1.6
425.16452	0.7
426.12683	0.4
428.16135	0.9
429.17056	0.7
434.13715	0.8
435.14499	3.5
436.15518	6.5
437.16339	9.0
438.17471	1.8
439.17361	0.9
440.14728	0.4
441.15762	1.3
449.16635	2.0
450.17789	2.8
451.12994	1.0
451.18753	4.1
452.14230	0.7
452.18564	1.0
453.15762	0.4
453.19229	0.3
455.17697	1.1
457.16537	0.4
462.17352	0.3
463.13498	1.6
464.14578	3.3
465.15668	4.6
465.20197	1.1
466.15680	1.6
467.17020	1.3
468.14331	0.7
469.14804	2.3
470.16577	0.5
477.15765	1.2
478.16565	3.0
479.17523	4.1
480.18427	3.9
481.14047	0.4
481.18781	1.0
482.15988	0.9
483.16605	0.8
484.17841	0.7
492.19089	0.4
493.19189	6.8
494.15073	0.9
494.19626	1.5
495.16422	5.6
496.17395	1.3
497.14618	0.4
498.15500	2.2
505.15515	0.3
506.15988	1.8
507.16696	2.2
508.17447	8.1
509.18414	5.7
510.18619	0.7
511.16251	0.6
512.16882	5.9
520.17426	0.5
521.18292	13.9
522.15765	4.8
523.19604	0.9
524.17334	0.8
525.21039	1.0
526.14581	1.9
527.19556	0.3
535.16400	0.5
536.18561	0.3
537.18103	0.4
538.18604	0.9
539.19287	1.6
549.17609	1.5
550.19537	0.3
552.19519	0.5
553.20892	4.1
563.18695	0.3
566.17877	0.5
581.20343	59.2
582.20593	1.6
599.21381	8.4
609.19379	1.3
622.22998	4.9
623.22687	0.3
641.22455	100.0
642.22693	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	641.2607
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
55.01878	0.9
57.64951	0.7
64.99519	0.8
67.05495	2.9
71.37931	1.0
75.80379	0.7
77.13013	0.6
79.05502	1.3
80.05020	1.7
80.53407	0.8
81.03435	1.0
81.07051	1.7
82.06576	1.5
85.02932	1.0
91.05489	3.2
93.05802	0.9
93.07043	5.7
94.06586	7.4
95.04987	1.6
95.07348	5.7
95.08611	0.9
96.08134	11.1
97.06524	0.7
99.54610	0.7
103.05487	1.3
108.08131	10.7
109.08907	0.9
110.09685	20.4
118.06572	0.7
120.04491	1.4
120.08102	13.7
121.06503	0.9
122.06038	7.1
124.07639	0.9
129.02235	0.7
136.07585	7.9
138.09146	21.2
143.65744	0.7
144.08041	0.8
146.06035	1.1
146.18872	0.7
148.07585	3.5
163.03923	1.4
166.08649	22.4
172.07590	1.4
197.07153	0.8
200.10809	0.7
206.08408	0.9
207.09125	1.2
211.08720	2.8
221.10776	2.4
223.08653	1.0
225.10291	1.4
234.07927	1.7
235.08658	2.9
236.09384	1.0
237.10262	1.9
241.83536	0.9
247.08701	4.7
248.09412	1.8
249.10245	20.7
250.11035	1.9
251.11934	0.9
253.09724	1.1
261.10284	2.9
263.11713	1.9
265.09689	2.2
275.08249	2.2
277.09775	13.3
278.10522	0.8
279.11255	1.2
289.09857	1.0
291.11414	2.3
293.09180	1.0
303.07581	1.1
309.12445	7.0
310.13303	1.1
311.11145	0.8
312.11426	2.1
312.15070	0.8
313.12766	1.0
314.12973	1.4
321.08774	1.8
321.12662	1.8
322.13547	1.7
323.14371	1.4
324.11826	2.5
324.15289	1.1
325.12637	1.7
326.12943	4.4
326.40024	0.8
327.13895	2.1
328.10992	1.0
328.14456	1.8
336.15094	2.5
337.12213	1.7
338.12875	1.7
338.16653	2.0
339.14520	1.8
340.10831	3.9
340.14578	6.1
340.18030	0.8
341.11771	1.8
341.15622	2.5
342.12457	4.6
342.16296	2.4
343.13248	1.8
344.13831	1.0
349.12363	1.6
350.12936	1.7
351.13797	1.3
352.10980	2.2
352.14511	2.4
353.11777	2.8
354.12421	13.1
354.16232	1.3
355.13007	6.4
356.14008	6.7
356.17743	2.3
358.15607	1.5
364.14456	8.0
365.15387	0.9
366.12320	3.1
366.16266	5.5
367.13187	5.0
368.10165	1.8
368.14038	16.9
369.14731	9.0
370.11694	0.8
370.15665	4.7
371.12543	0.9
372.17590	0.8
378.12375	1.4
380.14429	1.5
382.11240	7.9
382.16116	7.7
383.12473	2.3
383.16684	4.0
384.13538	0.8
384.17206	12.6
385.14157	0.9
386.14975	1.6
392.14029	4.4
393.14722	1.3
393.71304	0.9
394.11298	1.1
394.15570	2.4
395.13055	2.7
396.13425	12.7
396.18118	1.0
397.14142	6.9
398.18863	10.7
400.16656	2.8
401.17398	1.2
402.14310	1.7
403.36954	0.8
408.13489	2.5
410.14917	9.3
411.15765	1.2
412.16599	13.2
413.13708	2.4
414.14609	3.1
415.15247	2.9
416.16031	1.3
420.13406	3.9
426.13730	4.6
428.16083	8.8
429.16513	1.4
438.14468	34.6
439.14801	0.8
442.17679	3.1
444.19775	11.6
456.15561	67.8
457.15845	1.0
458.17072	11.8
470.17249	2.8
476.18155	41.3
488.18188	28.8
506.19241	1.1
563.23248	2.6
568.23169	0.8
581.20972	1.5
591.22406	10.4
595.25604	4.6
609.23456	31.2
613.26642	3.1
623.25012	26.9
641.26056	100.0
642.26001	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	641.2973
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05492	0.3
60.64251	0.2
67.05495	0.6
70.34311	0.7
79.05504	0.6
81.07051	0.6
91.05477	0.5
93.07047	0.3
95.08646	0.4
97.44573	0.2
105.07044	0.3
107.08612	0.4
108.08113	0.3
109.10140	0.2
119.08573	0.4
127.82616	0.2
183.09233	0.3
199.07539	0.3
225.10292	0.2
275.20074	0.3
314.13055	0.3
377.17722	0.6
378.18625	0.4
379.19257	0.8
390.18893	0.4
391.19284	0.9
392.20169	0.6
393.20990	1.7
394.21710	0.4
395.22141	0.5
404.16031	0.3
404.20764	0.2
405.16602	2.2
405.21210	0.9
406.17410	1.0
407.18573	0.8
407.22876	3.8
408.23444	0.4
409.24286	0.4
418.17773	0.5
419.18423	2.9
419.23709	0.4
420.19110	2.1
421.20364	4.8
422.21158	0.4
423.21863	1.2
433.20248	4.8
434.15881	0.2
434.21338	3.2
435.21973	6.7
436.22824	1.4
445.20337	0.3
447.22650	1.5
448.18069	0.3
448.23279	0.6
449.19614	8.2
450.20517	0.5
451.21594	0.3
453.23355	0.3
461.23505	0.8
462.20218	0.4
463.21191	3.3
464.22122	1.9
465.18567	0.5
465.23419	0.3
467.24585	0.5
475.21497	0.6
476.22119	0.4
477.23099	1.0
479.19785	1.1
480.21292	0.4
481.22006	1.9
491.24237	0.3
493.21823	2.0
494.23083	3.7
495.23929	3.5
496.24405	0.3
507.24048	2.2
521.25708	9.9
522.26245	0.6
523.26984	0.7
526.26276	0.4
535.23651	0.6
539.22504	1.2
549.25201	0.7
550.25745	0.3
551.26666	0.3
553.25378	0.9
563.26550	1.1
567.25635	0.5
580.26819	0.3
581.27698	19.7
582.28345	0.7
595.25323	0.3
609.27344	0.7
613.30096	0.7
641.29736	100.0
642.30170	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	641.2971
Annotation	Crooksiine
Peak:m/z	Relative Intensity
50.07200	0.8
55.01869	1.3
55.05503	2.5
56.46064	0.9
57.07064	1.0
67.05504	5.4
69.07058	2.3
69.28042	1.8
79.05482	3.0
81.07049	3.7
83.08623	1.4
91.05502	4.2
93.07050	4.3
95.08613	4.6
97.06529	1.2
97.10150	1.2
105.07034	2.9
107.04926	1.6
107.08620	2.6
109.06511	0.9
109.10127	1.7
117.06994	1.0
119.08578	3.2
121.06503	1.1
121.10117	1.6
129.07022	1.2
131.08563	1.3
133.10156	1.9
137.09610	0.9
143.08560	1.2
145.10126	1.5
147.11685	1.7
157.10164	1.3
164.45540	0.9
171.11671	0.9
181.06541	1.1
199.07410	1.4
210.11617	1.1
211.12291	2.2
223.12422	0.8
225.13841	2.6
235.12363	0.9
237.13838	1.6
239.11841	0.9
239.15494	2.5
249.13998	0.9
251.15509	1.3
269.13031	1.1
275.14453	1.2
275.20026	3.1
276.15048	2.3
289.17740	1.3
291.19687	1.0
292.17999	1.6
300.15051	0.9
304.14499	1.3
304.18063	1.6
305.18857	1.1
312.80066	0.9
313.15582	1.8
314.16428	1.2
316.14529	1.0
318.16083	1.3
319.16901	1.0
328.17911	1.1
329.17004	1.0
330.15991	1.3
332.17538	1.1
334.18973	1.8
344.17725	1.0
374.18674	1.0
384.17041	3.5
391.19107	1.9
392.20047	2.3
393.20386	2.5
397.13641	0.9
403.19183	1.7
405.20627	1.8
406.21228	4.5
407.22232	6.5
408.22934	0.9
412.16409	2.5
416.19809	2.3
417.20831	2.6
418.21442	1.8
419.21991	3.3
420.22656	2.4
421.23782	6.9
422.24329	7.2
426.17908	2.1
429.20911	1.7
431.22729	1.2
433.17078	1.0
433.23849	2.5
434.18103	1.7
434.24377	5.7
435.22162	1.0
444.19315	3.2
449.23846	1.1
458.21448	0.8
459.21466	2.2
462.20471	1.8
463.21268	8.1
475.21011	4.6
476.20709	2.4
477.22821	5.0
487.25131	1.7
489.22586	2.9
491.24350	2.0
494.26578	3.0
495.27783	1.2
508.22665	1.4
519.27679	1.2
521.25287	0.9
523.26868	2.0
531.24023	1.2
534.22632	1.2
535.23273	1.1
545.25336	7.9
547.27008	7.9
549.25055	13.3
550.25824	4.3
559.22345	1.0
561.20984	1.0
563.26398	6.1
564.27209	1.4
565.27686	1.4
576.23792	1.3
577.24530	1.1
579.29541	2.9
591.26025	33.6
592.26141	1.1
595.29034	1.3
605.27722	5.8
609.27130	16.1
623.28674	100.0
623.43671	3.0
624.28662	1.5
641.29584	18.9
641.43390	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	641.297
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.01853	0.8
55.05505	2.6
56.01400	0.5
57.07092	0.7
67.05519	3.1
69.07066	2.0
79.05490	2.4
81.07072	3.3
83.04980	0.9
83.08607	1.3
90.11937	0.5
91.05477	3.8
93.07050	2.7
95.04960	1.4
95.08633	2.8
97.06503	0.7
97.10204	1.6
104.18699	0.5
105.07030	2.9
107.04966	0.7
107.08594	2.3
107.57610	0.6
109.06552	0.5
109.10200	1.3
111.08168	0.6
117.03271	0.7
117.07045	1.6
119.08598	2.5
120.90085	0.6
121.10133	1.2
121.14931	0.6
123.08070	0.6
125.09651	0.8
129.06989	0.5
131.08620	1.4
133.10126	1.4
135.08124	0.8
143.08583	1.0
145.10162	0.9
147.11696	1.4
157.10141	1.0
159.11699	0.8
196.97127	0.7
197.10873	1.2
221.10777	0.7
237.14064	0.7
247.12286	0.9
259.20511	0.8
261.51129	0.6
275.20062	1.3
333.24307	1.0
345.08591	0.7
389.17831	0.9
391.19498	0.9
393.21262	0.9
401.17801	1.4
402.18967	0.8
403.19498	2.0
404.20114	1.6
405.20941	1.6
407.22461	1.0
415.19437	2.0
416.20102	2.7
417.20889	3.5
418.21570	1.8
419.22372	1.5
420.23264	1.0
421.24072	1.9
429.21136	3.3
430.21762	2.5
431.22876	4.0
433.24109	7.0
435.21820	1.4
443.22711	1.4
444.23654	1.4
445.19128	1.0
445.23978	3.5
446.25085	1.0
447.25632	1.7
448.19296	0.9
449.23587	0.9
457.19907	0.9
458.20313	0.8
459.21085	4.4
460.22641	2.6
461.19824	2.1
462.20447	3.7
463.21313	4.9
472.22678	2.8
473.23441	4.5
474.24222	2.2
475.21323	5.7
476.22159	2.4
477.22916	12.8
478.24100	1.0
485.23282	1.7
487.25214	5.6
489.23047	2.2
490.23642	1.2
491.24390	4.6
503.24658	1.1
505.25980	2.2
506.26938	2.6
515.24554	1.7
518.22760	0.8
519.27618	2.5
523.26385	1.1
532.24268	1.6
535.23822	2.7
545.25494	9.3
546.26038	0.9
547.19635	0.8
547.27081	16.0
549.24896	12.9
550.25836	14.5
563.26526	2.4
564.27368	2.3
577.28210	2.5
579.29602	7.9
591.26086	12.9
605.27600	20.5
606.27606	0.9
609.25989	0.8
623.28650	100.0
624.29041	1.6
641.28668	2.0
641.36963	0.7
641.45129	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2972
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.05515	1.1
57.07075	0.6
61.25625	0.4
62.31020	0.5
67.05499	1.7
69.07082	0.7
71.52722	0.7
79.05501	1.4
81.07055	2.0
83.08611	0.8
91.05480	1.5
93.07043	1.8
95.08614	1.6
95.91241	0.4
96.73997	0.4
105.07018	0.9
107.08619	0.9
109.10171	0.7
111.08085	0.5
117.07037	0.8
119.08601	0.9
121.10158	1.0
131.08556	0.5
133.10161	0.8
141.06952	0.6
144.08101	0.6
155.08693	0.5
181.06528	0.8
184.08563	0.6
199.07559	1.4
211.12451	0.5
220.90596	0.4
223.12314	1.3
224.13150	0.9
225.13948	1.4
226.14709	0.6
227.11864	0.9
237.13994	1.3
238.14624	1.1
239.11874	0.9
239.15436	0.9
251.15594	0.8
275.14691	0.6
275.20135	1.2
290.13043	0.6
304.14575	0.9
311.16553	1.2
313.15790	1.1
313.27698	0.6
314.16800	0.6
316.14560	0.8
318.16129	1.3
319.16812	1.1
330.16132	0.6
331.17197	0.5
332.17398	1.1
333.18118	0.5
334.19339	0.5
344.17636	1.0
346.19284	0.5
349.23856	0.8
354.12311	1.1
360.17090	0.7
367.19025	0.7
369.14481	0.7
374.18994	0.7
375.19583	0.8
384.17139	1.8
385.19925	0.8
389.17609	0.8
391.19266	1.1
392.19763	1.4
393.20673	1.0
397.14566	0.6
401.18149	0.8
402.18237	0.8
403.19193	1.8
404.20047	1.4
405.21149	2.3
406.21420	2.0
407.22375	3.9
412.16605	1.0
415.19281	1.8
416.20096	2.6
417.20819	3.9
418.21686	2.4
419.22375	2.3
420.23041	2.3
421.23834	4.5
422.24457	5.8
426.18530	0.8
427.19281	0.8
428.20065	0.8
429.21198	3.0
430.21576	1.7
431.23007	3.3
432.23413	1.1
433.24344	4.5
434.18811	0.7
434.24533	4.6
435.21497	1.2
444.19205	2.4
444.23837	1.7
445.24869	3.7
446.25296	0.9
447.17322	0.7
447.25922	0.8
448.19083	0.7
449.23801	1.3
454.34363	0.6
457.19977	0.7
458.20737	0.9
459.21109	2.5
460.22809	2.0
461.19736	1.6
462.20654	4.4
463.21259	2.8
470.21033	0.5
471.21881	0.5
472.22614	1.1
473.23557	3.6
474.24670	2.3
475.21344	3.8
476.21729	1.5
477.22894	11.6
485.23593	1.0
486.24585	0.8
487.25079	5.3
489.23138	1.8
490.23404	0.7
491.24640	3.4
495.28354	0.6
503.24365	0.8
504.25479	0.7
505.26096	2.3
506.26678	2.5
514.59967	0.6
515.24426	1.6
518.23407	0.8
519.27631	1.7
521.21539	0.7
531.24023	0.6
532.24847	1.3
534.22675	0.6
535.23816	2.0
545.25525	8.1
546.26233	0.9
547.27081	12.7
549.25037	10.2
550.25824	13.7
561.20807	0.6
563.26581	3.1
564.27441	1.9
565.28088	0.7
577.28168	1.7
579.29730	6.1
581.19757	0.9
581.27972	1.0
591.26093	11.1
594.25031	0.6
605.27594	15.6
609.27020	10.3
623.28674	100.0
624.28900	2.8
641.30145	8.0
641.44244	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.2
55.05499	0.2
57.03440	1.4
61.02927	0.1
63.02368	0.4
69.03436	1.0
71.04998	8.6
71.51721	0.1
71.52122	0.2
72.92455	0.2
73.02930	0.3
74.85426	0.2
75.04459	0.4
77.03928	0.2
79.05479	0.5
79.31607	0.2
81.03413	0.4
83.05000	1.3
85.02909	9.2
89.03915	2.7
91.05502	0.8
93.07039	0.2
95.04968	0.2
97.02902	2.1
99.04446	0.4
105.03378	0.3
105.07038	0.2
107.04962	0.9
109.02887	0.3
111.04444	0.7
117.03383	4.3
119.04940	0.9
120.05222	0.2
120.08065	0.2
121.06499	0.2
123.04474	0.2
127.03921	0.3
129.05482	2.9
133.02863	2.2
134.03221	0.5
135.04420	9.4
137.05997	1.0
138.06380	0.2
139.03835	0.2
145.02853	8.0
146.03171	0.2
146.08119	0.3
147.04422	2.7
147.06505	1.4
148.04774	0.3
149.05962	1.1
149.43330	0.2
150.06647	0.3
151.07344	0.2
161.05959	0.5
163.03909	100.0
163.41893	0.2
164.04256	0.8
164.09184	0.8
165.05511	0.6
167.07016	0.2
175.03876	1.1
176.04260	0.5
177.05476	0.5
179.07011	0.5
181.04956	1.2
189.05470	0.2
201.05499	0.4
203.07118	0.2
221.08186	0.3
231.06509	0.4
233.05896	0.2
234.06407	0.3
247.09711	0.2
255.06194	0.2
263.09061	0.2
266.08868	0.2
273.07608	0.5
279.59265	0.1
283.15427	0.2
291.08630	0.5
293.07938	0.3
307.08118	0.4
309.09665	1.8
325.09100	5.0
326.11188	1.3
389.19537	0.2
461.14886	0.2
488.16290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.2
55.05499	0.2
57.03440	1.4
61.02927	0.1
63.02368	0.4
69.03436	1.0
71.04998	8.6
71.51721	0.1
71.52122	0.2
72.92455	0.2
73.02930	0.3
74.85426	0.2
75.04459	0.4
77.03928	0.2
79.05479	0.5
79.31607	0.2
81.03413	0.4
83.05000	1.3
85.02909	9.2
89.03915	2.7
91.05502	0.8
93.07039	0.2
95.04968	0.2
97.02902	2.1
99.04446	0.4
105.03378	0.3
105.07038	0.2
107.04962	0.9
109.02887	0.3
111.04444	0.7
117.03383	4.3
119.04940	0.9
120.05222	0.2
120.08065	0.2
121.06499	0.2
123.04474	0.2
127.03921	0.3
129.05482	2.9
133.02863	2.2
134.03221	0.5
135.04420	9.4
137.05997	1.0
138.06380	0.2
139.03835	0.2
145.02853	8.0
146.03171	0.2
146.08119	0.3
147.04422	2.7
147.06505	1.4
148.04774	0.3
149.05962	1.1
149.43330	0.2
150.06647	0.3
151.07344	0.2
161.05959	0.5
163.03909	100.0
163.41893	0.2
164.04256	0.8
164.09184	0.8
165.05511	0.6
167.07016	0.2
175.03876	1.1
176.04260	0.5
177.05476	0.5
179.07011	0.5
181.04956	1.2
189.05470	0.2
201.05499	0.4
203.07118	0.2
221.08186	0.3
231.06509	0.4
233.05896	0.2
234.06407	0.3
247.09711	0.2
255.06194	0.2
263.09061	0.2
266.08868	0.2
273.07608	0.5
279.59265	0.1
283.15427	0.2
291.08630	0.5
293.07938	0.3
307.08118	0.4
309.09665	1.8
325.09100	5.0
326.11188	1.3
389.19537	0.2
461.14886	0.2
488.16290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01861	1.6
55.05521	5.5
56.14436	0.4
57.03426	2.1
57.07068	0.5
59.97504	0.4
61.02927	3.0
65.03936	0.9
67.05511	17.2
69.03423	0.7
69.07072	6.0
70.96218	0.5
71.04980	1.5
71.52439	0.6
73.02917	0.9
79.05074	0.8
79.05500	12.2
81.03422	1.3
81.06595	0.8
81.07060	15.4
83.04986	0.7
83.08611	3.1
85.02912	2.9
85.06557	1.0
91.03960	1.5
91.05486	17.3
93.06485	0.8
93.07052	14.6
95.04944	2.3
95.08613	9.8
97.02872	1.5
97.06529	1.6
97.10155	1.4
99.08078	0.9
103.05458	0.7
105.07038	18.1
107.04987	2.4
107.08605	7.5
109.06557	1.4
109.10168	5.3
111.08086	0.6
115.05449	1.1
115.16412	0.4
117.07027	8.3
119.08587	13.2
121.06513	1.7
121.10143	5.2
123.04431	0.6
123.08051	1.3
123.11742	0.6
125.09622	1.0
128.06238	1.0
129.07019	6.9
131.08574	16.2
133.06500	1.7
133.10141	8.0
135.08020	1.7
135.11674	2.8
137.09610	1.2
141.07025	2.5
143.08568	6.1
145.06516	1.4
145.10139	8.2
147.08109	2.2
147.11673	3.1
149.09624	1.8
151.11185	0.6
155.08568	3.9
157.10112	5.4
159.08044	1.1
159.11725	4.6
161.09683	1.3
161.13266	1.1
163.11160	0.6
167.08577	2.0
169.10115	3.5
171.11665	3.6
173.09573	0.8
173.13289	1.6
175.11261	1.1
175.14873	0.7
177.12727	0.5
181.10144	1.8
182.80858	0.5
183.11678	2.7
185.09567	0.7
185.13251	2.4
186.29126	0.5
187.11168	0.6
187.14819	1.5
195.11713	1.9
197.13263	2.6
199.14827	1.1
201.16440	0.5
209.13333	2.4
211.14845	1.3
213.12691	0.8
213.16354	0.8
215.14462	0.9
217.15892	0.5
223.14793	0.9
225.16331	0.5
229.15929	0.6
233.15451	0.9
241.15887	1.1
243.17401	0.6
247.16975	1.7
255.17439	0.6
259.16928	1.1
261.18561	1.4
265.39841	0.5
273.18475	0.9
274.63190	0.5
276.20557	0.4
307.24133	0.6
325.25357	1.0
335.23669	1.4
343.26172	2.3
353.24759	4.9
371.25790	4.6
389.26971	4.7
427.28391	1.1
445.29526	100.0
446.30042	2.4
463.30582	21.2
582.20300	0.9
594.35248	0.5
642.22125	1.0
647.91046	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	28.0
57.07068	14.4
58.56337	7.9
67.05502	52.4
69.03393	8.2
69.07060	30.6
72.86656	8.7
79.05485	37.4
80.32208	8.2
81.03412	29.5
81.07054	58.2
83.08620	18.9
85.02896	12.8
91.05473	34.8
93.07053	39.6
95.04974	15.2
95.08595	31.3
97.06514	14.7
97.10157	15.0
105.07022	30.4
107.08621	17.5
107.71494	9.7
109.06525	10.3
109.10159	14.4
117.07024	14.6
119.08571	23.4
121.10154	13.0
123.11697	11.2
125.09559	12.2
129.06969	15.2
131.08560	26.1
133.10143	22.8
135.11679	12.8
141.06981	9.9
143.08635	17.0
145.10112	12.4
147.11650	11.0
149.02304	9.4
157.10211	16.7
160.94728	7.9
171.08096	10.7
173.09586	8.5
175.11171	18.6
181.06503	12.2
193.12222	33.7
199.07553	36.1
200.07849	18.5
211.13342	49.0
227.12856	19.3
267.15884	38.3
269.17517	11.1
277.21622	11.1
285.16959	49.7
291.19644	14.8
311.16510	19.6
312.16699	25.5
351.25339	27.7
358.10526	9.2
365.23349	11.5
386.20047	14.8
400.16241	9.1
403.18552	9.5
427.17615	10.2
445.29364	17.7
461.29089	13.9
469.27206	8.7
479.30090	79.3
483.16681	11.2
501.01819	9.7
505.21338	14.3
527.15710	27.0
539.19208	32.6
543.36389	13.3
561.37683	11.5
582.20081	11.0
615.21332	13.3
624.43390	23.4
642.24884	19.6
642.44672	38.1
643.20270	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	642.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06077	1.9
55.01863	4.5
55.05500	6.4
57.07081	11.1
67.05511	10.4
69.07051	6.3
71.08636	10.0
79.05491	6.2
81.07065	29.1
82.11916	2.2
83.08624	4.1
85.10177	4.9
86.45316	2.1
93.07041	5.1
95.08605	8.4
97.10124	2.8
105.07060	2.7
107.08591	2.8
109.06519	9.0
109.10153	4.2
111.04445	14.2
119.08606	3.5
121.10150	4.0
125.06022	2.8
131.08517	2.3
133.10130	4.5
135.08076	3.7
135.11647	3.3
137.05994	100.0
137.13274	2.9
143.08502	3.3
147.11662	4.5
149.09624	2.9
149.13254	2.7
151.07544	2.7
161.09584	6.0
163.11102	2.4
175.11209	7.2
200.78410	2.2
203.17940	6.2
216.06221	1.9
221.19043	3.2
231.17375	4.4
249.18498	5.7
272.08221	2.1
273.48251	2.1
277.17981	37.8
295.18954	5.9
313.27362	28.2
351.21646	15.1
403.30920	2.7
435.83389	2.7
476.29370	2.1
519.45251	2.2
589.44690	78.6
607.45349	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	642.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01875	1.4
55.05517	8.9
56.71140	0.4
57.03440	3.5
57.07082	23.7
65.03947	0.6
67.05510	27.2
69.07072	11.1
71.04987	1.8
71.08637	19.6
72.84596	0.4
79.05499	16.1
81.03421	2.0
81.07065	29.3
83.04987	5.7
83.08627	9.8
85.06537	1.3
85.10191	10.0
85.10701	0.3
89.06042	0.5
89.96048	0.4
90.00839	0.5
91.05486	10.5
93.07051	18.6
95.04976	4.7
95.08614	19.8
97.06536	4.1
97.10172	4.3
99.08105	3.0
99.11767	0.5
105.04535	0.8
105.06381	0.8
105.07034	6.7
107.04969	1.0
107.08596	8.7
109.06540	1.7
109.10165	7.6
111.08105	1.8
113.09514	0.5
117.07021	4.9
119.08553	2.8
121.06574	0.9
121.10143	3.8
123.08053	0.7
123.11717	3.4
125.09644	0.5
129.06985	0.5
131.08575	3.9
133.10153	4.3
135.08066	1.1
135.11696	3.1
137.09677	0.5
137.13335	1.0
139.11200	1.8
145.10204	0.5
147.11649	2.1
149.13271	5.8
151.11195	3.8
157.10179	0.6
159.11688	4.2
161.13281	2.0
163.11200	2.3
165.12770	0.9
172.88245	0.4
173.13339	0.5
175.14824	0.7
177.12741	2.6
179.14342	1.0
195.13792	3.2
221.15390	0.5
223.20874	0.4
227.12854	0.9
229.14534	0.8
233.15428	0.9
239.23659	3.0
241.19533	0.7
251.16420	2.1
259.20795	1.2
267.15979	0.6
269.17502	10.5
269.20236	0.9
277.21649	6.1
299.80371	0.5
313.27386	24.7
351.25314	9.7
369.26111	0.8
467.37598	1.0
493.39191	0.6
507.40497	100.0
508.40823	2.3
589.48425	5.2
607.49268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84307	0.4
69.20171	4.2
78.78192	0.3
86.59042	0.4
91.05485	0.6
103.05505	0.5
105.07079	0.4
107.01122	0.4
107.04962	0.5
109.06485	0.4
117.07076	0.4
120.04485	0.4
131.04944	0.6
137.05960	1.2
151.07593	0.7
153.05360	0.5
159.04175	4.3
163.07573	0.6
167.06995	3.6
172.04037	0.4
173.05949	0.6
177.09064	0.5
181.04979	4.7
191.07045	3.5
204.06557	0.5
219.10323	0.5
233.08119	0.5
235.09662	0.5
263.09186	1.2
385.13022	0.6
395.09549	0.9
395.14706	17.4
417.15347	1.0
423.14172	2.0
539.18384	0.6
557.19855	9.0
599.21008	27.5
611.25000	0.9
643.19983	100.0
644.20306	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.4
69.15160	2.1
69.15583	1.5
87.58212	0.4
98.20704	0.7
112.46384	0.4
175.97754	0.3
356.48029	0.3
395.11575	0.4
396.11993	0.6
397.13031	1.9
398.13794	0.8
399.14655	0.4
409.13379	0.5
410.08649	0.3
410.13477	1.8
411.14502	4.8
412.15295	3.2
413.15985	2.1
423.14587	1.5
424.10919	0.9
424.15347	1.9
425.16235	11.4
426.16992	6.8
427.17740	1.3
428.18716	1.6
435.14645	0.5
436.15472	0.4
437.16537	0.9
438.13141	1.8
438.17517	1.1
439.13696	14.0
440.19186	4.6
441.19318	34.7
442.19534	1.5
451.17953	0.7
452.14169	3.2
453.15305	16.1
454.15842	4.5
457.15073	0.5
463.14236	1.1
465.15265	0.5
466.12250	0.6
467.17157	25.6
468.17941	14.9
469.18842	12.0
471.17032	0.6
472.17383	0.5
480.17819	0.8
481.14853	14.2
482.15442	2.9
485.18567	1.0
495.16934	2.7
496.17270	10.2
497.17667	2.1
498.18527	0.6
499.19998	0.7
500.20493	0.4
508.19370	0.5
509.17984	2.0
512.20471	1.6
513.20825	0.5
514.22534	2.4
522.18243	0.5
523.19879	1.6
524.20758	0.7
527.23407	3.3
528.23462	0.5
537.17798	0.4
540.19910	0.5
541.20831	0.4
542.21783	1.2
551.19537	0.4
555.22449	28.9
556.22626	1.2
568.19513	0.5
583.21912	100.0
584.22223	5.0
586.20642	0.5
587.25006	1.6
611.21191	2.2
614.23590	0.8
615.24561	12.5
643.23975	74.6
644.24188	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	643.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
57.03449	0.3
67.05504	1.2
69.07072	0.3
71.52088	0.3
71.52470	0.3
79.05501	1.2
81.07047	1.2
91.05475	0.7
93.07037	1.0
95.08615	0.8
97.06555	0.3
99.08122	0.4
105.07021	0.6
107.04943	0.3
107.08611	0.7
109.10180	0.3
117.07006	0.3
119.08591	0.7
125.09651	0.3
130.76709	0.2
131.08577	0.4
133.10147	0.4
135.11737	0.3
145.10162	0.3
157.10135	0.4
217.15871	0.2
275.20126	0.3
277.21686	0.3
291.19568	0.5
396.12408	0.6
397.13202	1.0
398.14078	0.4
399.14691	0.3
404.13525	0.2
409.13315	0.4
410.13910	1.5
411.14539	3.7
412.15399	2.1
413.16104	1.2
423.14981	1.1
424.11234	0.8
424.16403	1.8
425.16254	7.7
426.16891	5.7
427.17654	0.9
428.18759	0.4
437.16180	0.7
438.13303	1.9
439.13458	6.6
440.19028	2.8
441.19330	23.7
442.19638	0.7
451.13419	0.5
451.18597	0.5
452.14316	2.8
453.15372	8.2
454.16006	2.4
456.18170	0.3
457.15588	0.4
463.14148	0.7
464.14133	0.3
465.15701	0.7
466.12286	0.4
467.17218	18.4
468.17957	8.2
469.18869	9.7
471.16757	0.5
472.17572	0.5
480.17416	0.3
481.14859	12.3
482.15344	2.3
485.18140	0.4
495.15927	2.0
496.17224	11.3
497.18143	2.1
508.19608	0.6
509.18472	1.8
510.19809	0.4
512.20801	0.5
513.17932	0.3
514.21844	0.9
522.17712	0.6
523.19733	1.3
527.23328	1.8
537.19916	0.5
540.19952	0.4
541.20697	0.3
542.21796	1.0
555.22473	17.5
556.22900	0.4
568.19452	0.3
583.21930	100.0
584.22144	3.7
587.25012	1.3
593.26447	0.5
611.20929	1.2
614.23639	0.3
615.14905	0.2
615.24500	6.7
625.29370	1.7
625.44366	0.6
643.23883	28.6
643.46399	0.7
644.24048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59234	0.7
53.03946	0.9
59.76818	0.6
63.70166	0.6
65.03951	0.8
67.05511	1.1
69.56515	4.5
79.05502	1.7
80.05026	0.9
81.05825	0.9
81.07072	0.7
85.02898	1.0
89.03979	0.8
91.05478	1.7
93.05820	0.9
93.07046	2.5
94.06572	6.0
95.04991	0.9
95.07349	2.1
95.08591	1.1
96.08155	8.3
97.06552	0.8
98.21448	1.4
106.06568	2.2
108.04504	2.2
108.08128	8.9
110.09673	9.7
116.05013	2.4
120.04462	4.3
120.08125	7.4
122.06040	5.0
124.07603	6.7
132.04463	1.0
134.06039	3.8
136.07596	8.5
138.09160	8.9
142.50407	0.7
144.04456	5.3
146.06038	4.9
148.07564	3.5
150.05475	0.8
152.07076	1.3
160.03996	2.9
162.05521	3.7
162.37935	0.7
164.07108	1.6
165.09203	0.7
166.08658	10.2
167.07181	2.1
172.03943	20.8
172.07721	1.1
174.05556	2.1
176.07123	3.5
181.04948	1.7
182.09758	0.9
183.09166	1.2
184.09874	0.8
190.05009	17.8
197.10826	2.4
199.08568	1.0
199.12341	2.4
204.06581	32.3
205.06682	1.5
209.10825	1.4
210.09253	1.6
211.08688	3.8
212.09509	2.7
213.10278	1.4
223.08650	1.3
223.12199	0.9
224.09506	1.2
225.10213	8.7
226.11205	0.9
227.11794	12.9
236.09508	1.5
237.10397	3.2
238.10983	1.5
239.11777	3.5
241.09851	1.2
241.13446	1.3
249.10318	2.5
251.08134	1.4
251.11856	3.4
252.09125	1.1
253.09756	5.7
254.10582	0.8
255.11305	1.5
263.08090	0.9
263.11719	1.1
264.09030	3.4
265.09717	1.7
267.11380	2.4
269.12866	17.0
271.10785	7.4
273.12299	5.4
277.09851	1.1
279.08585	1.1
279.11258	5.0
283.10815	5.2
284.11646	4.2
285.12473	5.8
287.13925	15.8
293.08960	0.8
294.09769	0.8
295.10730	2.1
297.12354	9.0
299.14108	5.3
300.11819	0.9
302.13025	0.9
307.10812	1.2
311.10233	0.9
312.15182	1.0
313.12723	2.1
314.13043	1.8
315.14072	0.8
316.14493	1.2
323.10016	8.3
325.11877	24.5
326.13129	1.1
326.16794	1.0
327.13498	4.3
327.17197	1.5
328.10907	2.8
328.14603	2.7
329.15341	0.9
330.12503	1.7
330.16101	1.3
335.10132	1.0
339.13544	3.8
340.14331	1.3
341.12012	1.3
342.12445	6.6
342.15967	1.2
343.13104	5.2
344.13995	1.7
354.12369	1.9
354.16312	0.9
355.13409	2.4
356.13986	5.6
357.14487	10.0
358.15500	4.7
365.11526	1.3
367.13004	2.0
370.11734	1.2
370.15649	4.3
371.16943	0.9
372.17255	2.0
378.17844	1.0
380.13992	1.4
382.11786	4.6
383.12796	2.1
384.13318	3.9
384.17664	0.8
385.14276	1.4
386.14944	2.5
386.19077	1.3
388.16855	1.3
390.18201	2.6
394.15640	1.1
398.15039	16.5
399.15808	23.2
400.17010	1.9
402.18274	1.7
404.15894	5.3
412.16513	2.0
414.18326	4.5
416.16144	15.5
417.16034	1.5
422.16830	1.1
428.16141	2.8
430.17593	2.7
440.16028	5.1
446.17099	14.5
448.18915	1.0
458.17148	34.8
460.18497	1.1
478.19778	2.4
490.19727	7.3
520.20837	6.0
565.24561	2.0
567.26068	2.2
569.24170	6.6
583.25415	2.3
593.23932	9.7
611.25037	100.0
612.25549	2.5
615.23474	0.7
643.27478	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	643.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63968	0.4
55.01890	0.4
56.06848	0.4
57.01992	0.5
65.03937	1.0
67.05501	1.2
71.06528	0.5
71.06854	0.5
79.05515	1.9
80.05029	0.7
80.14332	0.4
80.31728	0.4
81.07070	0.6
82.06591	0.5
85.02917	0.4
89.03920	0.4
91.05486	1.3
92.05014	1.0
93.05763	0.7
93.07059	2.1
94.06572	4.8
95.05000	0.6
95.07351	2.2
96.08144	5.6
96.08704	0.6
97.06532	0.6
97.13160	0.3
98.20954	0.4
105.04540	0.4
105.07079	0.4
106.06582	1.3
107.07363	0.8
108.04482	2.3
108.08115	8.0
110.09686	7.8
116.04974	3.0
118.06520	0.8
120.04469	4.5
120.08118	6.1
122.06052	3.3
124.07604	6.7
132.04472	0.7
134.06023	3.6
136.07584	7.9
138.05505	0.5
138.09146	10.2
144.04456	5.1
144.08110	0.5
146.06001	4.6
148.07558	2.4
152.07074	1.7
154.33119	0.4
160.03979	2.9
162.05521	4.0
163.11252	0.4
164.07076	2.1
166.08647	10.7
167.07397	0.6
170.09779	0.5
172.03941	22.1
172.07556	0.9
174.05568	1.6
176.07100	3.3
178.05107	0.5
182.08327	0.7
182.09746	0.9
183.09116	0.8
184.09978	0.7
186.09233	0.6
190.05002	16.5
192.06653	0.5
195.09212	0.8
196.09930	0.9
197.10751	1.9
199.08612	0.9
199.12306	2.1
204.06569	35.1
209.10786	1.1
210.07777	1.1
210.09503	0.6
210.11482	0.7
211.08664	2.9
211.12328	0.9
212.09386	2.1
213.10217	1.2
221.10834	0.4
223.08716	0.9
223.12270	0.8
224.09340	1.9
225.10234	9.0
226.11057	1.2
227.11792	13.6
229.13483	0.5
230.02420	0.4
235.08569	0.8
236.09346	1.8
237.10240	3.1
238.11086	1.6
239.11801	4.0
240.08943	0.6
241.09822	1.4
241.13431	1.1
242.10542	0.4
243.11497	0.4
245.12935	0.5
247.59422	0.4
249.10287	2.0
250.11020	0.5
251.08023	0.8
251.11879	2.4
252.09091	0.7
253.09683	5.7
253.13499	0.5
254.10521	0.7
255.11281	1.5
257.12888	0.5
263.08279	1.0
264.08990	4.3
265.09781	1.7
266.10501	0.6
267.08524	0.4
267.11295	2.2
268.08664	0.4
268.12027	0.5
269.12863	15.8
271.10773	9.8
273.12384	5.4
277.09732	1.8
278.10486	0.7
279.11243	2.8
281.09201	0.6
281.12836	1.0
283.10794	5.3
284.11484	4.0
285.12344	4.7
286.13266	1.1
287.13931	15.8
289.09882	0.5
289.13150	0.5
291.11230	0.5
295.10880	1.6
296.11523	0.6
297.12375	7.7
298.10596	0.6
299.13965	5.4
300.11728	0.5
300.15219	0.5
301.12201	0.5
301.15872	0.4
302.12952	0.6
305.09137	0.6
307.10950	1.2
309.12347	0.7
311.10565	0.7
311.14209	0.8
312.12061	0.6
312.15100	1.3
313.13300	2.0
314.13113	2.1
315.13724	1.4
316.10944	0.9
316.14572	1.7
317.15326	0.7
321.08719	0.6
323.10254	6.3
324.15073	0.4
325.11829	23.3
326.13004	0.8
326.16669	1.3
327.13593	3.3
327.17444	1.1
328.10864	3.7
328.14542	2.3
329.15436	1.2
330.12497	1.0
330.16110	2.5
331.17078	2.5
338.13150	1.0
339.13593	1.4
340.14655	0.9
341.12057	1.4
342.12421	6.8
342.16138	1.1
343.13077	5.7
343.16779	0.6
344.13959	1.0
344.17661	0.5
352.14764	0.9
353.12637	0.7
354.12405	0.9
354.16333	0.7
355.13211	2.0
356.13947	5.8
356.17920	0.6
357.14462	9.0
358.15506	4.0
365.11285	1.0
366.11838	0.5
366.16119	0.5
367.13351	0.7
368.13986	0.8
369.11169	0.8
369.15393	0.7
370.11719	1.1
370.15619	4.1
371.16357	1.3
372.17068	1.1
376.16577	0.9
378.18164	0.9
380.14023	0.6
382.11774	3.8
383.12451	2.5
384.13162	3.8
384.17706	0.7
385.14285	2.3
386.14185	1.9
386.19366	2.2
388.16626	0.7
390.18161	3.6
390.40494	0.4
394.15424	0.9
396.17606	0.6
397.14740	0.8
398.15033	18.3
399.15814	23.5
400.16702	1.2
401.13733	1.1
402.18372	1.8
404.16068	5.3
412.16602	2.5
414.18170	4.1
416.16040	17.6
417.16754	0.8
422.16745	1.5
428.16159	2.6
430.17444	2.1
440.16058	4.8
446.10919	0.8
446.17142	14.5
448.18784	1.3
458.17117	32.9
459.17429	0.8
460.18558	0.5
478.19681	2.1
490.19739	8.8
541.24652	0.6
552.23340	0.5
565.24359	1.8
567.26196	3.2
569.24011	6.3
575.23010	0.6
583.25787	2.5
593.23914	7.6
611.25024	100.0
612.25360	2.9
643.27655	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	643.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
57.03434	0.8
62.65184	0.9
65.03937	1.5
67.05503	2.0
69.03426	1.2
71.52743	1.2
79.05502	2.6
80.05022	1.7
81.03410	1.8
81.07108	1.6
82.06568	1.8
85.02901	1.3
89.03916	1.1
91.05481	4.1
92.04989	1.1
93.05800	1.6
93.07050	5.7
94.06580	7.1
95.04964	1.8
95.07356	2.2
95.08598	1.8
96.08133	11.0
97.06522	1.8
103.05508	1.3
106.06578	1.7
107.08538	1.2
108.04479	1.6
108.08118	12.7
109.10159	1.7
110.09687	15.7
116.04980	2.1
118.06530	1.1
119.08589	1.9
119.20982	0.7
120.04478	3.0
120.08093	11.5
121.10118	0.9
122.06028	3.8
123.08038	1.1
124.07616	6.1
127.03922	1.2
128.06233	0.8
134.06039	3.3
135.11690	1.0
136.07576	14.6
137.05940	1.6
138.05499	1.0
138.09154	16.8
144.04459	4.3
146.06047	5.9
148.07585	4.1
152.07094	1.5
160.03952	3.3
162.05492	2.7
163.07562	1.2
164.07054	2.0
166.08659	19.4
167.07062	3.5
172.03943	22.1
172.07562	1.0
173.05930	1.3
174.05525	1.4
176.07094	2.2
181.04970	3.7
182.09598	1.1
183.09137	1.2
184.09958	1.1
190.04999	14.9
191.07074	1.5
197.10760	2.2
198.09265	1.0
199.08652	1.2
199.12405	1.8
204.06569	37.0
205.08650	0.9
209.08331	0.9
209.10788	1.7
210.09224	1.0
211.08646	3.6
211.12347	1.6
212.09445	2.4
221.10732	1.0
223.08626	1.4
223.12325	1.7
224.09381	0.9
225.10168	8.6
227.11847	11.1
235.08531	4.0
235.12274	1.3
236.09476	3.2
237.10239	8.5
238.11002	6.0
239.11766	4.5
241.09669	1.6
247.08751	3.0
248.09523	4.1
249.10234	11.4
250.11029	13.7
251.08044	0.9
251.11809	11.4
252.09087	1.2
252.12555	1.4
253.09752	6.5
255.11302	1.8
261.10269	5.2
262.11069	4.6
263.08377	3.3
263.11786	22.8
264.08994	4.2
264.12531	1.6
265.09808	5.7
265.13336	3.7
266.10623	0.9
267.11404	3.9
269.08853	0.7
269.09772	1.1
269.12872	16.5
271.10800	8.9
273.12411	5.8
277.09750	6.2
277.12488	0.9
278.10556	2.3
279.11298	23.7
280.12082	1.3
281.09253	1.2
281.12872	2.9
282.09985	1.8
283.10809	6.4
284.11621	3.6
285.12305	5.0
286.13168	1.2
287.13953	15.6
289.09732	3.9
290.10312	1.5
291.11215	8.9
292.11951	2.0
293.09546	1.5
293.12930	3.8
295.10736	4.9
296.11566	1.3
297.12363	10.5
299.13956	4.7
307.10764	9.1
308.11655	0.9
309.12375	6.4
310.13138	0.9
311.10480	0.9
311.14111	2.3
312.14990	1.8
313.12234	1.0
314.12851	1.9
316.14407	1.9
319.10797	3.1
321.12405	2.0
323.10306	6.8
323.13712	1.7
324.14954	1.2
325.11826	25.0
326.12708	1.2
326.16541	1.4
327.13474	4.1
327.17374	2.0
328.10779	3.0
328.14499	2.5
329.15256	1.2
330.16125	2.9
331.16885	1.5
335.10223	4.6
336.10959	1.2
337.11807	13.4
339.13596	2.2
340.14261	1.3
341.11533	1.8
342.12390	7.1
342.16092	2.1
343.13052	6.9
344.13821	1.5
344.17676	1.4
354.12497	1.2
355.12955	12.3
356.13879	5.9
356.17627	0.9
357.14459	22.3
357.18829	1.2
358.15414	5.7
365.11282	1.8
367.12912	14.7
368.13727	2.5
369.14520	4.0
370.11618	1.0
370.15475	6.3
372.17010	1.4
380.14017	1.5
382.11667	4.1
383.12695	3.5
384.13263	2.8
384.17300	1.8
385.13846	2.6
386.14465	1.3
386.18692	3.7
388.16696	1.1
390.18210	2.0
397.15164	1.1
398.15002	18.6
399.15839	24.6
400.16589	2.8
402.18213	1.2
403.18887	3.4
404.15747	5.0
412.16684	2.0
414.18405	4.5
416.16061	16.4
417.15884	1.7
422.17035	1.0
428.15805	3.0
430.17651	3.2
432.19394	1.3
440.16046	6.5
442.17807	1.0
446.17154	15.4
447.17755	1.1
448.18399	1.3
458.17108	35.6
460.18478	2.6
472.18747	1.9
478.19788	3.4
488.18008	2.8
490.19797	17.6
492.21033	1.4
502.19455	1.8
520.20837	65.6
521.21558	9.4
522.22369	50.3
523.21338	0.8
565.24500	2.1
567.26135	2.1
569.23828	5.3
583.25116	2.3
593.24152	6.3
611.25037	100.0
612.25366	1.7
643.26477	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	644.313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
53.04154	0.7
55.01861	1.4
55.05512	3.9
57.03436	6.8
57.07074	1.0
59.04987	2.2
61.02919	2.4
65.03950	2.0
67.05524	4.2
69.03438	23.8
69.07063	2.3
70.06577	1.8
71.04997	2.3
71.51656	1.0
73.02898	1.3
77.03938	1.1
79.05499	13.1
81.03405	3.8
81.07069	7.5
83.04975	2.7
84.08131	1.1
85.02911	34.8
87.04476	14.6
91.03989	1.6
91.05483	15.6
93.07052	75.1
95.04962	5.2
95.08607	11.4
97.02299	1.5
97.02901	24.8
97.06538	2.2
99.04465	2.8
105.07043	7.6
107.04982	1.1
107.08604	89.4
109.02883	2.8
109.06519	2.7
109.10162	1.2
111.04457	1.0
115.03937	32.2
119.04957	2.9
119.06105	1.6
119.08632	4.1
121.06501	1.2
121.10112	4.7
123.04459	1.4
123.11678	1.6
127.03925	8.4
131.08521	1.5
133.04974	28.4
133.06464	1.2
133.10133	2.7
134.51707	0.9
135.11702	100.0
137.05954	3.1
137.13252	2.9
141.20465	0.8
145.04959	14.7
145.10141	1.2
147.04436	12.1
147.11690	2.3
149.13301	1.3
150.07593	1.1
152.07150	0.8
153.12758	20.9
155.07077	0.9
156.10246	1.2
156.20735	1.0
157.04979	0.9
157.10178	1.6
159.11694	1.7
163.03964	5.2
163.06061	5.3
165.05588	1.1
165.12680	1.0
169.04993	1.2
177.05421	0.9
177.11440	0.8
177.12758	5.3
183.01266	0.8
183.11685	0.8
185.13199	0.9
189.12819	1.2
219.13852	1.5
223.83917	1.0
231.13815	2.2
241.07077	1.3
249.14833	2.0
259.08069	4.2
267.15939	6.6
277.09241	1.4
279.15884	2.4
295.10349	6.5
297.17029	3.0
325.11481	5.3
451.52847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63186	0.6
52.91391	0.7
53.03920	0.6
54.29364	0.6
55.01874	1.3
55.05506	2.2
57.03446	1.2
63.28547	0.7
64.15777	0.6
67.05511	4.9
69.07063	1.4
71.04992	1.1
75.04491	4.9
79.05501	3.7
81.03425	4.7
81.07064	3.6
83.04980	0.6
83.08640	1.4
89.06029	1.9
91.05495	3.3
93.07056	3.6
95.04990	2.0
95.08595	2.3
97.06568	1.2
97.10168	0.7
98.21564	1.2
100.35714	0.6
101.83254	0.6
105.07028	3.5
107.08597	2.2
109.10162	1.3
117.07043	1.1
118.66984	0.6
119.08613	2.1
121.10146	1.4
125.09647	1.2
129.07045	1.2
131.08595	2.3
133.10146	1.8
135.08058	0.8
135.11690	1.7
143.08566	1.3
145.10150	0.9
147.11676	0.8
149.09647	1.0
157.10211	0.7
159.11697	0.7
163.11179	1.1
173.13191	0.7
181.12259	1.1
183.81389	0.6
185.13260	0.6
193.12318	0.7
221.15274	0.6
223.16962	1.7
227.12865	1.0
267.15936	3.4
275.20117	1.1
385.13721	0.6
400.15439	1.5
403.36789	0.6
409.12930	0.6
410.14383	1.1
411.15540	1.0
414.17242	0.9
421.13199	0.8
422.13882	2.7
423.14581	5.0
424.15546	1.1
425.16577	1.1
426.17368	1.3
429.17160	1.0
435.14557	1.4
436.15448	3.8
437.16226	8.3
437.25342	0.8
438.16940	2.2
441.20233	2.9
449.16455	1.3
449.79398	0.7
450.17896	1.2
451.17627	3.1
452.18393	2.6
454.16614	0.9
455.17249	1.2
456.18201	0.7
457.16153	1.4
461.29080	2.3
464.14734	1.8
465.15164	0.9
465.19614	2.3
467.17480	1.1
469.19440	1.0
478.16510	1.3
479.17657	1.3
480.18228	3.3
481.15402	1.7
482.15619	1.3
483.20901	0.9
484.17493	1.0
493.19308	4.7
494.15030	3.8
495.16516	3.8
496.17026	1.2
497.18423	1.7
498.15530	2.9
506.16357	0.8
507.17001	0.7
508.17520	5.0
510.18817	2.8
511.19678	2.2
512.16443	3.8
521.18237	7.3
522.14832	7.1
523.19196	0.7
525.17712	5.4
526.15161	2.2
538.18689	1.4
539.19244	6.7
540.18823	1.2
541.35339	1.7
549.18201	1.5
551.19244	1.9
567.18774	40.3
583.29681	0.7
585.20160	3.6
595.18280	6.7
599.21649	2.7
608.21783	3.3
613.19049	1.5
627.20892	100.0
628.21234	2.6
645.21613	3.8
645.43091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.6
53.03944	1.8
55.01867	0.7
58.63700	0.4
65.03931	0.9
65.36403	0.5
69.03430	1.9
71.04999	1.0
71.51442	0.5
73.46378	0.5
75.94294	0.5
77.03934	2.1
79.05488	2.0
81.03425	4.7
81.07062	1.4
85.02915	2.1
85.06538	2.0
89.03934	4.7
91.05488	18.3
93.07040	6.3
94.04177	0.7
95.04985	0.9
95.08612	1.3
97.02888	1.0
99.04440	0.8
99.49062	0.5
103.05453	2.5
105.03408	4.4
105.04518	0.7
105.07033	2.1
106.04203	0.7
107.04965	1.5
107.08602	0.8
108.10609	0.4
109.02895	1.4
117.03387	5.7
117.07021	0.7
119.04948	21.2
120.81691	0.5
120.98264	0.6
121.06519	8.1
121.10170	0.7
122.03656	2.8
123.04409	0.7
123.08076	0.9
124.03992	0.5
125.06007	0.7
127.03918	1.0
131.04977	0.7
133.02859	100.0
133.10149	0.7
134.03616	1.5
135.04425	5.9
135.07977	0.8
137.05983	17.4
138.06358	0.6
139.07603	0.8
141.09103	1.6
145.02835	4.5
145.10135	0.7
147.04425	15.4
149.05989	39.0
150.06773	17.1
157.03925	2.7
158.03693	1.0
159.11682	0.7
160.05232	0.7
161.05983	5.1
162.03203	1.0
163.03879	2.3
164.04327	0.9
165.04172	1.1
165.05492	12.9
165.06906	0.8
173.06010	2.1
173.13333	1.0
175.03918	57.0
176.04703	0.6
176.06284	1.2
177.05492	10.4
177.06998	2.9
177.12737	0.8
178.63995	0.5
190.07727	0.9
191.08571	1.1
191.14322	1.2
193.04980	1.3
194.07277	1.4
195.11688	0.5
201.03574	1.0
201.05460	21.1
205.06476	7.9
219.08125	1.9
219.13802	1.4
221.06071	1.8
222.06740	2.7
232.05255	0.9
233.05988	14.3
235.06360	0.6
237.09126	2.2
247.07451	3.3
249.05461	5.6
250.06335	3.5
260.04675	0.8
261.05460	7.0
262.06046	0.8
264.07855	2.7
265.08585	6.5
275.07089	2.0
277.05029	3.0
278.05792	1.4
279.10229	1.2
292.07330	7.3
293.08075	10.9
297.11118	1.2
307.09634	4.9
325.10718	76.6
326.11087	1.5
354.82089	0.5
363.17972	0.6
381.19101	2.1
469.15002	4.4
487.16043	7.2
535.37018	0.5
645.17450	0.9
647.92383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
54.98611	0.4
55.01874	0.8
64.55807	0.5
68.90520	0.4
69.03436	0.8
69.27693	1.3
69.28114	2.1
71.04980	0.6
79.05486	0.5
79.98453	0.4
80.76686	0.4
81.03410	1.4
85.02901	0.6
91.05498	2.3
93.07097	0.5
95.04999	0.4
95.08635	0.7
97.02896	0.7
98.21580	0.8
105.07034	0.6
106.02908	0.5
109.02856	0.9
115.05459	0.7
117.07011	0.8
119.04919	2.4
122.03640	0.4
123.04428	0.8
124.03968	1.3
134.03629	0.6
135.04437	1.1
137.05975	6.2
141.03346	0.9
141.09200	0.5
143.04843	0.6
145.06467	1.2
147.04419	1.7
149.06013	2.3
150.06754	2.1
151.03917	1.4
158.03621	0.9
160.05119	0.5
165.06972	0.8
167.07063	1.3
173.05992	2.8
175.03940	2.2
175.07484	0.7
176.06174	1.0
177.07010	2.8
181.05089	0.6
186.03156	5.1
189.07011	0.8
191.08559	0.6
193.06616	0.5
194.07268	2.8
195.08051	0.5
200.04570	0.5
201.05472	14.4
203.06985	0.8
204.05763	0.9
205.06520	11.8
206.07248	1.2
209.09653	0.7
211.07573	1.0
217.06569	0.5
218.07216	0.6
219.08076	1.2
219.40965	0.4
221.05951	2.8
222.06793	7.5
223.07556	0.6
226.06204	0.6
227.07178	1.3
229.12434	0.5
233.06004	14.5
234.06787	2.9
235.07574	0.7
236.04755	0.5
236.08290	0.8
237.09146	9.5
239.06981	1.7
247.07593	2.5
249.05489	3.2
250.06271	11.4
251.07074	2.4
254.05826	0.6
254.09599	0.7
261.05511	2.6
262.06122	0.5
263.07013	1.0
264.07849	4.6
265.08618	21.8
266.09344	1.3
267.06570	1.9
268.07657	0.6
269.08493	0.6
277.05069	2.5
278.05789	6.3
279.06738	1.0
279.10223	1.8
281.07950	0.7
282.08948	2.1
283.09619	0.7
292.07303	12.8
293.08099	19.9
293.11377	1.1
294.08713	1.1
295.05991	1.5
297.11224	3.6
307.09665	29.7
310.08365	2.6
325.10736	100.0
326.11035	1.3
456.88644	0.4
469.14972	1.4
487.15906	3.3
645.23822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60085	0.7
55.05454	0.7
67.05443	2.0
69.69606	4.5
75.04425	1.6
78.79975	0.8
79.05426	1.0
81.03359	0.9
81.06998	1.8
85.07645	0.7
89.05948	3.5
91.05423	1.2
93.06958	2.0
95.08559	1.4
98.21499	1.2
99.12466	0.7
105.06992	1.5
107.08514	1.4
109.10072	1.4
119.08493	1.1
125.05929	1.1
131.08549	0.8
133.10101	5.1
135.11633	0.9
145.10025	1.0
163.11115	1.4
169.00584	0.7
173.13177	1.0
179.14203	1.7
181.12218	1.0
191.14273	1.3
215.29726	0.8
240.88702	0.8
277.21506	1.1
351.25201	1.5
508.18829	4.4
522.20087	7.2
537.22620	100.0
538.23212	2.0
608.85828	0.8
613.24219	32.8
627.46313	1.9
645.26819	31.6
646.27234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44579	1.2
67.05494	3.3
69.93230	2.7
69.93598	5.1
79.05478	4.9
81.07047	2.7
91.05469	3.7
93.05790	1.8
93.07053	5.6
94.06565	6.7
95.04958	1.5
95.07312	3.4
95.08621	1.6
96.08144	13.5
97.06540	2.0
106.06581	3.8
107.08613	3.7
108.08135	16.1
109.08943	1.6
110.09683	23.4
116.05013	2.2
119.82738	1.4
120.04450	3.1
120.08100	16.4
121.10126	2.0
122.06019	9.8
124.07578	8.5
128.68121	1.4
134.06023	2.6
136.07591	34.7
138.09148	31.7
144.04439	3.2
146.06029	7.7
147.04454	2.5
148.07596	14.7
148.59683	1.6
150.05664	1.3
150.09143	5.9
152.07072	18.0
160.03972	3.2
160.07591	1.4
162.05527	3.1
163.07552	2.3
164.07132	7.0
166.08649	49.2
172.03928	25.1
174.05511	2.0
174.09215	2.3
176.07039	3.3
190.05014	17.8
197.10757	2.6
198.11488	2.4
199.12338	2.1
204.06569	32.7
210.09441	1.4
210.11519	4.8
211.12257	7.9
212.13109	2.9
213.13811	2.2
218.08156	1.4
221.10834	2.6
223.12239	7.6
224.09454	2.3
225.10295	12.0
225.13890	2.6
226.10954	6.1
227.11803	6.1
229.13385	1.9
235.08641	1.8
235.12320	4.5
236.09433	2.6
237.10269	12.8
238.10991	9.8
239.11830	10.2
241.13368	1.8
246.07599	2.7
248.09496	2.1
249.10291	10.0
250.10942	6.4
251.08104	1.4
251.11801	19.4
252.08961	3.2
252.12640	6.5
253.09805	3.5
253.13300	6.4
255.11269	4.2
256.12045	4.2
257.12878	2.2
262.11032	4.6
263.11789	22.1
264.08856	4.7
264.12555	5.3
265.09940	8.6
265.13287	11.9
266.10553	7.8
267.11285	27.7
268.12000	2.1
269.12793	7.9
271.10950	2.9
271.14438	11.1
273.12299	4.1
277.09622	3.2
277.13150	1.5
278.10568	5.9
279.11276	36.4
279.14417	2.2
280.12024	6.4
281.12851	13.9
282.09943	2.0
283.10751	8.0
284.11612	14.6
285.12344	45.3
287.13968	2.4
289.15451	4.1
291.11252	14.7
292.12073	4.7
293.09659	2.4
293.12842	18.5
295.10797	3.9
296.11575	9.4
297.12347	57.2
298.13205	4.0
299.13937	9.1
307.10806	1.5
309.12347	27.5
310.13025	6.7
311.10190	7.2
311.13730	2.9
315.13376	1.8
319.10846	15.7
321.12381	17.4
323.10321	13.5
324.10870	1.6
325.11838	32.4
326.12543	1.6
327.13367	11.4
337.11844	69.4
338.12674	2.9
339.13470	6.5
343.12991	2.7
346.19141	3.1
357.14508	10.1
359.15964	2.7
369.14478	3.0
371.16214	2.4
374.18875	1.8
376.20395	2.2
385.13876	4.0
388.16193	2.2
390.18024	1.9
392.19736	4.3
400.16226	3.1
402.18170	4.8
404.19736	4.4
412.16647	1.6
418.17480	3.0
420.19067	2.9
422.20679	3.5
430.17688	12.4
432.19202	7.0
436.18390	3.0
442.17450	2.0
446.20624	5.4
448.12589	2.6
448.18668	38.3
449.19455	27.1
450.20236	29.8
460.18661	30.3
461.19318	1.7
462.20444	6.7
463.20859	1.9
464.93936	1.6
472.18564	2.5
474.20132	7.2
476.18121	13.7
477.18927	14.9
478.19656	12.4
480.21146	3.9
490.19769	71.8
491.20486	9.7
492.21396	20.3
493.21863	3.0
522.22424	30.8
523.23120	9.0
567.26123	3.3
585.27240	2.2
595.25592	14.2
613.26563	100.0
614.27020	3.0
637.95203	1.5
645.28693	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	645.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
57.07074	2.0
63.39479	0.6
67.05511	1.2
67.96035	0.7
69.07080	0.9
69.16470	7.4
71.08640	2.3
77.76627	0.6
79.05508	0.8
81.07069	1.4
83.08636	1.3
85.10185	1.0
92.84460	0.6
95.08585	1.7
98.20738	1.3
98.85621	0.7
147.95448	0.7
333.20267	5.5
380.90659	0.7
389.23102	3.9
563.39447	0.7
645.47064	100.0
646.47083	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	646.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.1
55.01863	4.9
55.05516	31.9
57.03437	10.8
65.03934	3.6
67.05509	63.4
69.03417	4.4
69.07061	16.7
69.98122	2.7
71.04993	6.2
71.08635	12.2
71.21177	3.0
71.42009	4.6
76.46152	2.4
79.05494	43.0
81.02944	4.7
81.03422	93.3
81.07062	58.7
83.04977	11.3
83.08624	34.4
91.05486	47.3
92.27032	3.0
93.07053	43.0
95.04973	31.8
95.08612	31.4
97.02913	3.8
97.06533	8.9
97.10181	21.0
99.08095	11.8
105.07036	33.3
107.04956	9.4
107.08597	29.1
109.06532	5.6
109.10174	16.4
111.04463	3.4
111.08085	10.5
113.52558	2.6
115.05467	3.1
117.07042	13.5
119.08571	26.3
121.06506	8.2
121.10158	23.0
123.08067	5.8
125.09630	16.4
129.06999	15.1
130.72099	2.8
131.08572	26.0
133.10138	20.2
135.08051	6.0
135.11681	9.4
137.09686	4.5
139.11221	3.0
143.08551	5.9
145.10107	7.9
147.08054	3.8
147.11702	10.1
149.09618	6.6
149.13261	9.8
151.11151	10.0
153.05191	2.6
157.10146	14.7
159.11673	7.9
159.71935	2.6
161.09558	2.9
161.13263	5.6
163.11201	8.1
165.12753	4.4
169.54710	2.7
171.11740	3.9
175.11205	11.1
177.12767	4.8
179.14377	3.9
181.12277	3.0
183.08098	2.8
185.13271	3.0
189.11200	9.5
193.12247	31.1
197.13293	3.5
203.14339	4.7
224.17427	3.1
227.12770	27.5
245.13805	4.3
245.50822	2.8
267.15921	69.2
268.43210	3.2
269.17490	34.0
277.21622	9.7
334.87091	2.6
351.25714	16.9
369.24460	4.9
437.25336	10.2
443.27939	12.4
445.29587	4.9
447.27228	9.6
461.29010	100.0
493.31549	14.6
543.29474	3.8
543.36932	46.0
561.37714	11.7
593.40582	3.3
646.40900	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	646.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	5.3
53.03939	8.6
55.05514	31.2
57.03439	22.6
57.07084	5.4
65.03933	7.2
67.05507	100.0
69.07074	27.8
69.92445	26.2
79.05494	76.3
81.07059	82.7
83.08602	12.5
91.05482	92.6
91.06022	8.5
93.07045	87.9
95.04968	8.4
95.08621	66.7
97.06470	5.8
105.04595	6.2
105.07047	78.8
107.08584	53.3
109.10169	24.6
117.07043	22.1
119.08595	62.2
121.10125	33.8
123.11692	7.0
125.09534	5.0
129.07016	9.7
131.08568	31.9
133.10138	52.8
135.11694	32.2
143.08588	9.8
145.10143	29.9
147.11729	32.7
149.13293	18.2
157.10088	6.2
159.11713	21.4
161.13280	27.3
169.10228	5.2
171.11685	10.5
173.13295	14.8
175.14830	8.4
185.13245	6.3
187.14803	8.5
197.13315	6.4
199.14928	9.0
200.07140	5.6
201.16505	6.8
241.19633	15.5
257.19147	8.1
259.20566	53.8
261.22153	11.1
277.03497	5.4
333.24167	53.7
335.25861	80.7
535.24890	6.5
593.45441	11.9
611.46759	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	647.2853
Annotation	Gniditrin
Peak:m/z	Relative Intensity
53.03948	4.7
55.01870	1.5
55.05499	2.9
57.74880	0.8
58.27222	0.8
60.13306	0.7
67.05503	4.4
69.03407	1.9
69.07058	1.7
70.05014	0.8
71.52860	0.8
77.03924	1.2
79.05486	8.4
81.03420	21.0
81.07059	4.2
83.04992	2.0
85.02888	1.7
85.06534	1.1
91.05489	12.7
93.07048	27.7
95.04968	6.8
95.08601	7.7
97.02891	1.4
97.06535	1.5
103.05444	2.2
105.04509	1.0
105.07043	10.8
105.77338	0.8
107.04974	4.8
107.08590	5.3
108.05760	2.1
109.02881	9.3
109.06512	1.4
109.10162	3.4
111.04462	5.7
115.05402	1.7
116.06218	1.4
116.94844	0.8
117.07019	2.3
119.04962	1.0
119.08591	6.3
121.06520	5.5
121.10143	28.5
122.03629	1.2
123.08065	2.5
123.11736	1.0
125.02334	6.8
125.05968	0.7
126.03197	0.9
127.03956	1.0
128.06235	2.1
129.07005	4.3
131.04941	2.6
131.08569	4.7
133.06497	1.3
133.07562	0.9
133.10117	1.7
135.04399	2.1
135.08031	2.4
136.05186	4.2
137.05984	19.8
141.06970	2.3
142.07709	0.8
143.08563	3.1
144.05748	1.5
145.06528	3.3
145.10104	1.7
146.07271	2.8
147.04420	1.1
147.08034	2.8
149.05988	3.1
149.09625	19.8
151.07552	100.0
155.08553	1.1
157.06496	6.1
158.07253	1.7
159.08122	2.5
160.05301	1.2
161.06004	3.2
161.09636	1.4
161.88985	0.8
162.06815	2.4
163.07590	3.2
163.13722	1.0
165.05525	1.7
165.06963	1.2
165.09135	10.2
167.08578	1.0
167.10513	0.9
169.06523	1.3
169.10141	0.9
170.07210	0.9
171.08026	3.8
172.08871	1.6
173.06003	1.5
173.09601	1.1
174.06784	4.9
175.07567	8.5
175.11079	0.8
176.08311	1.4
177.09096	13.4
179.07060	3.3
179.08524	0.9
180.09294	0.9
181.04910	2.2
181.06425	1.1
184.05179	1.0
185.05930	1.9
186.06821	1.5
187.07581	5.3
188.08340	4.0
189.05511	2.6
189.09097	16.0
191.07047	2.2
191.10681	3.0
195.08109	1.1
197.05992	2.7
198.06816	1.0
199.07568	3.0
201.09116	8.3
202.09863	1.3
203.07031	5.9
203.09018	1.0
203.10670	6.9
205.08519	1.1
209.09711	1.4
210.06662	0.9
211.07645	1.2
211.11200	1.0
212.04768	1.4
213.05510	1.5
213.09154	1.4
215.07130	1.7
215.10747	2.5
217.08673	5.4
219.10129	1.9
222.06747	0.9
225.09108	1.9
225.12692	1.4
227.07040	6.9
227.10674	1.6
229.08533	4.0
229.12265	2.9
231.10222	0.9
239.10822	1.3
241.08667	1.8
245.08012	4.7
247.09575	5.5
253.12277	0.9
255.10083	1.2
255.13916	2.5
257.08054	1.9
257.15381	4.8
261.11337	0.9
263.06961	0.9
265.08640	1.2
267.13879	1.5
269.15564	0.9
275.12875	2.5
277.08911	1.0
277.12302	1.0
285.14908	4.1
289.12277	1.0
291.10233	1.2
295.13297	0.8
305.11713	2.1
307.13248	0.8
323.12924	0.9
335.12759	1.0
337.14209	1.2
349.14655	0.8
355.15442	1.7
359.02808	0.8
365.13782	1.0
367.15552	2.3
374.64209	0.8
383.14883	1.2
385.16406	2.9
399.14398	1.0
405.16373	0.8
417.15793	1.3
423.18045	2.8
425.19409	1.2
439.17874	1.2
445.15854	1.3
447.18060	1.6
463.17395	7.1
465.18689	1.5
475.17328	1.3
481.18561	9.6
492.25241	1.0
493.18686	1.8
493.25928	2.2
503.24323	3.2
519.23938	1.8
521.25269	3.2
533.21765	2.6
601.27679	1.5
611.26251	4.6
629.27356	5.8
647.28455	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	648.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01874	2.3
55.05506	0.6
57.03430	1.2
65.03934	0.7
67.05511	1.9
68.99806	1.1
69.03435	8.9
69.41555	1.8
71.04995	0.5
73.02933	2.3
77.03944	0.3
79.05502	3.9
81.03419	1.2
81.07062	9.4
83.04985	4.6
85.02912	5.7
85.06484	0.3
87.04462	0.6
91.04955	0.2
91.05484	4.6
93.07041	1.1
95.04975	4.3
97.02899	5.7
97.06528	1.0
97.11255	0.2
98.20798	0.5
99.04436	0.5
101.02397	0.6
103.05459	0.6
105.07028	0.7
107.04961	5.6
109.02885	1.2
109.06524	17.7
111.04443	2.2
113.02365	1.2
113.06047	0.3
115.03922	1.8
115.05502	0.6
119.04951	5.2
121.06521	7.5
123.04430	0.5
125.02339	0.4
125.06007	2.7
127.03955	0.9
127.07549	1.2
133.06499	0.9
135.04416	0.3
137.05988	100.0
138.06326	0.7
139.07568	1.1
140.49863	0.3
143.03407	2.9
145.06441	0.3
147.04451	0.3
149.06003	0.4
151.07590	0.3
153.05472	0.5
155.07047	26.8
159.08070	0.3
161.04466	3.2
161.05968	1.3
163.03905	0.3
163.07500	0.5
165.05495	0.9
165.09984	0.3
167.07011	0.3
173.08084	0.3
179.07039	0.7
183.06465	0.4
185.78896	0.3
187.07576	0.8
191.07092	0.5
195.35025	0.3
201.04012	0.3
205.08646	0.5
209.08060	0.4
215.07066	0.6
233.08131	2.1
251.09204	5.3
267.08835	0.3
269.10242	3.1
279.08667	3.4
297.09698	8.9
315.10751	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	649.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.2
53.03951	6.5
55.01864	2.5
61.82325	1.0
62.40513	0.8
65.03938	1.5
66.69646	0.8
67.01862	1.1
67.05488	3.5
69.03436	4.3
69.07066	0.9
71.04990	1.6
71.51836	1.5
73.50056	0.8
75.37498	0.8
77.03948	0.9
79.05492	3.6
81.03426	25.5
81.07050	1.5
83.04990	1.0
85.02889	3.2
88.29587	0.9
91.05064	0.8
91.05497	8.2
93.07032	2.5
94.04188	1.6
95.04977	16.3
95.08616	1.5
97.02905	39.3
99.04442	3.1
103.05466	2.7
105.03388	3.8
105.07019	3.2
105.21227	0.7
107.04968	44.8
107.08609	1.5
108.05733	2.7
109.02898	15.7
109.06516	1.6
109.10172	1.4
111.04453	9.6
115.05457	3.5
117.07007	3.7
119.04970	2.2
119.08587	2.4
121.06509	12.9
121.10116	2.5
122.03637	3.9
123.04440	34.4
127.03936	15.3
128.06197	4.4
129.07040	6.8
131.04936	6.3
131.08592	1.7
132.05698	1.1
133.02864	25.2
133.06477	2.1
133.10135	1.0
135.04420	6.1
135.08051	2.3
136.05206	5.2
137.05992	46.8
141.06964	3.5
143.04912	1.5
143.08578	2.5
144.05673	1.2
145.04973	1.6
145.06482	8.0
146.07303	7.8
147.04390	1.4
147.08037	3.0
148.05191	1.1
149.05991	5.5
150.06793	1.7
151.03947	11.5
151.07556	100.0
153.05479	1.9
153.06972	3.4
155.08543	2.4
156.05746	1.3
157.06511	8.3
158.07281	4.5
159.04404	1.7
159.08040	3.7
160.05180	2.7
160.08766	1.5
161.05989	7.0
162.06776	2.0
163.03941	2.6
163.07582	6.8
165.05482	4.4
165.06975	2.8
165.09131	6.5
167.07210	0.9
167.08545	1.7
169.06511	3.2
170.07323	1.0
171.08025	2.7
172.05090	1.0
172.08859	5.2
173.05995	5.0
174.06773	8.3
175.07576	15.7
176.08327	3.3
177.05609	4.3
177.09120	20.5
179.03383	1.8
179.07071	10.6
179.08530	1.9
181.04961	6.2
181.06491	5.1
182.07254	1.1
183.08040	5.2
184.05182	3.0
184.08861	0.8
185.05991	3.7
186.06801	1.6
187.07533	8.5
188.08313	9.3
189.05527	2.0
189.09119	20.8
191.07068	6.9
191.10654	2.1
194.07265	1.5
195.06537	1.1
195.08061	3.8
196.10561	1.0
197.05945	4.0
197.09645	1.9
198.06718	4.0
199.07556	3.9
200.04611	1.7
201.05473	2.4
201.09088	5.9
202.06213	1.2
203.07019	9.8
203.10692	10.5
205.08589	4.3
207.08179	1.1
209.05984	5.4
209.09641	1.5
210.06802	2.3
211.07555	10.1
212.04692	5.5
212.08302	2.4
213.05435	3.5
213.09109	3.8
215.07022	6.8
216.07724	1.1
217.05063	0.9
217.08615	7.3
219.06454	1.0
219.10123	4.0
221.09726	1.2
223.07520	4.9
224.08415	2.0
225.05588	2.0
225.09070	6.0
226.06241	8.8
226.09772	1.1
227.07057	26.6
227.10605	1.5
228.04343	1.1
228.07707	1.4
229.08531	4.2
231.06477	1.2
231.10158	2.1
233.07948	4.1
235.07597	1.9
235.09683	2.0
237.11281	1.8
239.07063	2.6
240.07816	11.0
241.08607	45.8
242.09265	1.3
243.06519	4.8
243.10152	3.8
245.08046	11.6
247.09697	19.1
249.07285	4.1
249.11360	1.9
251.10620	1.2
253.08592	3.8
254.09433	1.5
255.10184	57.6
257.11795	4.3
261.07645	2.9
262.09982	1.5
263.10620	1.5
265.08643	1.8
265.12244	1.3
267.10046	2.1
269.08069	1.9
269.11707	1.3
274.09933	1.1
275.10663	0.9
276.07565	0.9
277.12268	1.2
279.10266	1.6
281.11810	1.8
285.07681	4.1
285.10855	1.0
287.09131	1.9
289.08444	1.3
291.10144	2.0
293.08063	1.1
293.11642	1.4
295.09787	1.2
299.09235	1.3
305.11801	5.6
307.09723	1.7
319.09665	1.0
321.11203	2.7
322.11853	1.4
323.12961	1.8
325.10867	1.2
331.09805	1.0
335.12689	2.9
337.14444	1.7
345.11087	1.0
349.10535	1.7
353.13718	2.4
355.15558	5.0
361.10403	1.1
363.12372	1.5
373.16397	2.0
383.14633	2.5
393.13226	3.0
395.11200	6.7
397.12592	1.6
399.14606	7.5
403.15390	1.3
413.13040	2.5
415.14346	1.2
417.15692	5.0
427.15668	1.5
431.18680	3.0
433.16418	1.0
435.18085	2.4
439.17172	1.9
445.16394	4.1
451.17398	3.2
459.18155	7.3
461.15860	1.5
463.17548	26.1
465.18719	1.5
475.17038	1.3
477.19165	25.6
479.16965	3.1
481.18591	19.9
489.19006	2.8
497.17850	1.5
501.18762	2.4
503.17584	1.1
521.18219	1.4
522.18713	1.3
557.21619	1.0
567.19611	1.3
585.20966	2.5
613.20789	2.4
631.21509	2.3
649.32092	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3022
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
67.05508	0.9
69.51907	1.4
69.52321	3.7
124.58462	0.9
211.04921	0.9
255.92683	0.8
403.19452	1.3
415.15259	1.0
417.21152	1.3
418.21548	0.9
419.22540	1.3
431.18027	1.7
431.23346	2.0
432.19293	1.3
433.24020	2.8
443.18558	1.1
444.19083	1.4
445.20004	6.3
446.20731	1.8
447.21442	1.4
459.22018	6.6
460.22659	3.6
461.23431	3.5
473.19058	3.6
475.12894	0.9
475.25452	1.1
487.21368	2.2
502.23792	2.4
503.24609	5.3
515.24298	1.8
519.23792	1.6
531.24084	1.2
547.27246	10.0
548.27661	0.9
561.25262	1.8
589.28125	19.5
607.29303	2.2
649.30231	100.0
650.30634	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.9
53.03731	1.9
53.03949	15.1
55.01861	5.6
55.05512	24.2
57.03441	11.9
65.03934	4.7
67.05508	66.5
69.03090	1.6
69.03430	17.9
69.07073	12.7
69.87334	1.4
71.05011	7.5
71.38195	3.0
73.06548	3.1
75.76495	1.4
77.03924	2.0
79.05497	100.0
81.03423	41.7
81.07058	61.5
83.04990	21.3
83.08621	9.3
85.02912	15.0
85.06546	3.7
87.04462	2.1
91.05484	91.3
93.07044	87.6
93.07648	3.3
95.04974	31.3
95.08606	34.8
97.02896	11.0
97.06532	7.1
97.10182	6.2
99.04453	6.6
99.08117	1.7
101.02393	2.6
103.05464	3.1
105.04512	4.4
105.07035	63.7
107.04963	17.8
107.08601	26.5
109.02866	9.3
109.06519	10.5
109.10176	8.9
111.04436	2.8
111.08073	3.0
115.05473	5.5
117.07028	22.5
119.04939	2.8
119.08582	36.9
121.06517	8.3
121.10168	10.5
123.04413	5.3
123.08047	11.0
125.09676	3.8
127.03931	7.1
128.06255	9.2
129.05530	2.5
129.07016	40.5
130.07834	1.7
131.04959	3.4
131.08569	22.3
133.06479	7.5
133.10149	18.0
135.08058	5.4
135.11713	6.1
141.06995	6.9
142.07822	2.1
143.08572	26.4
145.06473	8.3
145.10123	19.9
147.08020	8.3
147.11681	42.7
149.05981	2.5
155.08563	6.8
156.09378	2.6
157.06506	6.1
157.10094	5.9
159.08049	5.9
159.11684	4.6
161.05942	2.3
161.09633	7.0
161.13257	19.9
163.11203	3.7
165.06985	2.2
167.08562	5.9
169.10158	4.8
171.08051	5.0
171.11693	46.0
173.04488	11.5
173.09622	3.5
173.13321	3.8
179.08530	2.1
179.14343	3.0
181.10101	2.9
183.08154	2.2
183.11699	3.8
185.09618	5.2
185.13297	4.8
187.11243	2.3
189.09131	2.7
189.12759	17.5
191.14235	1.8
193.10262	2.0
195.08150	2.7
195.11783	3.6
207.13797	43.0
209.13164	2.0
213.12764	2.1
221.15356	2.0
223.14833	4.7
225.12753	1.7
225.14828	5.2
227.14153	2.8
231.13818	3.1
233.13242	2.2
233.15352	2.3
241.15913	8.6
243.13866	2.8
245.15327	2.5
251.14360	5.3
257.15292	2.7
259.16925	5.4
261.14853	2.2
263.16360	2.8
269.15369	12.2
279.16049	3.6
281.17471	71.0
287.16400	17.3
305.17535	2.7
309.17029	1.7
315.15872	3.7
333.16821	2.3
343.19254	3.7
351.17862	2.8
361.20087	4.7
389.19382	2.4
407.20819	3.6
425.21875	11.5
469.29474	1.7
471.30569	1.7
487.30579	65.9
501.31958	4.9
529.31476	3.1
539.33600	2.8
549.31964	4.0
567.33044	9.7
585.34424	3.4
613.34271	1.8
631.34674	16.2
649.35742	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	650.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01870	2.2
56.96550	0.4
61.02921	0.6
69.03445	1.8
70.86014	0.3
70.94877	0.8
73.02919	2.9
79.05497	1.0
81.03415	1.5
81.07070	0.5
83.04995	0.7
85.02436	0.6
85.02914	7.6
86.03269	0.4
90.49867	0.3
91.05473	1.2
93.07066	0.6
95.04965	0.8
97.02910	3.3
98.97578	1.0
99.04457	0.7
105.03417	0.6
105.07025	0.5
107.04977	1.7
107.08583	0.4
109.02879	1.3
109.06523	1.1
111.04444	1.7
113.06030	0.4
117.07020	1.6
119.04951	0.6
119.08591	1.0
121.06517	10.6
122.06808	0.4
123.04434	1.2
125.06015	0.6
127.03931	1.5
128.06178	0.5
129.07025	1.1
129.68011	0.4
130.27695	0.4
131.04953	0.4
131.08582	1.1
133.06526	1.9
135.04449	1.0
137.05942	2.4
139.07552	0.4
143.08574	1.7
145.05002	2.0
145.06494	2.2
145.10115	1.3
147.04373	0.5
147.08057	0.8
149.06013	0.9
151.07527	1.3
153.05496	1.7
153.07053	0.9
155.07368	0.4
155.08600	2.5
157.06458	0.8
157.10114	0.6
158.99626	0.5
159.08043	1.4
161.05977	0.7
161.09648	1.5
163.03888	0.7
163.06070	0.8
163.07460	0.8
165.05478	0.4
166.07802	0.5
167.07025	0.4
169.10139	0.6
171.08037	1.9
171.11583	0.5
173.05994	0.5
173.09634	8.4
175.07570	0.9
177.05539	0.4
179.07068	1.1
181.10197	0.9
183.07988	1.6
185.09608	1.9
187.07603	0.7
187.11186	0.8
189.09167	1.6
191.10674	1.2
197.09734	1.5
199.07599	1.2
199.11224	1.0
201.09125	3.9
203.07066	0.5
203.10640	0.8
209.09650	1.3
213.09190	1.1
215.10703	2.7
215.29509	0.4
217.08727	1.6
217.12186	0.4
219.01849	0.5
219.10181	5.7
225.09131	0.9
227.07138	0.6
227.10661	5.4
231.10165	0.9
233.11760	1.9
235.09547	0.4
237.09096	0.8
243.10184	8.6
245.08064	0.6
245.11755	2.5
255.07108	1.9
255.10201	8.9
255.57243	0.4
260.07300	1.2
261.11240	15.6
263.09238	1.1
263.12692	1.1
264.07574	1.5
264.57782	0.7
273.08228	0.7
273.11237	16.9
279.12299	22.0
291.12289	26.6
309.13348	100.0
310.13757	0.9
325.11029	0.4
336.09644	2.2
336.59921	0.6
363.13547	0.4
373.74335	0.4
471.18994	0.4
489.18161	0.6
489.68091	1.3
496.79938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2814
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
57.69386	0.6
69.14959	4.6
69.15376	1.2
81.60414	0.6
98.21557	0.9
193.15959	0.7
270.24945	0.6
332.76434	0.6
386.15408	0.9
387.16010	0.9
391.19275	1.1
392.20081	1.3
399.16299	1.9
400.16882	2.4
401.17838	4.0
402.18839	1.0
403.18982	0.8
403.80618	0.6
405.20700	1.8
406.21356	1.1
407.22220	2.9
411.16916	0.7
412.17288	1.1
413.17484	2.9
414.18646	5.0
415.14566	0.8
415.19318	9.7
417.20874	2.2
419.18320	0.7
420.19681	0.9
427.19553	1.3
428.20111	3.1
429.15872	1.0
429.21429	8.3
430.21631	2.0
431.18741	0.9
435.21771	2.6
441.17029	1.8
442.17392	1.6
443.18259	3.2
443.22604	4.2
444.18866	5.0
445.20724	2.9
446.21246	1.0
447.18161	1.4
456.19275	1.7
457.20712	5.2
458.21304	4.8
459.18457	2.1
461.19611	1.0
462.20831	0.7
469.16394	1.0
471.22354	7.3
472.23447	4.8
473.19736	5.1
474.20834	2.8
483.18893	0.7
484.18970	1.1
485.19815	2.3
486.20441	5.5
487.21591	2.2
488.22281	0.7
489.23221	1.1
490.19949	1.8
499.21408	8.9
500.23062	3.2
501.22986	0.7
503.24579	3.6
507.81683	0.7
513.18909	0.8
514.19696	1.1
516.21973	1.4
517.22473	7.0
521.25763	0.9
527.20935	2.6
528.21637	1.0
531.23938	12.1
543.23724	1.0
544.21198	0.9
549.24951	5.3
559.23456	80.0
560.23938	2.9
587.22961	12.2
619.25549	100.0
620.25348	2.9
651.28143	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20871	1.9
66.62167	1.8
71.23092	1.8
71.52869	3.5
72.60915	1.9
77.13671	2.2
77.50234	1.9
108.08074	2.0
141.61598	2.1
154.54738	1.9
159.29265	2.1
280.64584	2.0
289.99780	2.4
375.24762	2.1
403.19250	2.6
415.15820	2.3
416.20114	2.6
417.20868	3.2
431.18362	3.0
432.23328	2.3
444.19260	2.3
445.19864	4.8
457.20395	4.1
458.21118	4.2
459.21954	11.0
460.22629	6.3
471.21957	2.7
472.22659	3.7
473.23254	3.0
474.24536	2.5
517.22455	2.2
531.24042	4.5
546.25922	3.8
547.26837	2.9
559.26703	3.4
559.98083	2.5
577.24615	3.9
591.26465	3.3
606.28387	20.8
619.29346	5.9
651.31805	100.0
681.20911	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	651.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.05512	8.3
57.03432	2.3
57.07076	2.1
59.04996	2.0
65.03936	1.1
67.05511	18.3
69.03427	5.5
69.07060	5.3
69.68887	2.9
69.69321	3.8
71.04994	11.2
79.05471	5.6
81.03428	7.7
81.07063	100.0
83.08612	2.7
85.02914	11.0
85.06552	9.1
89.06047	3.2
90.87189	1.0
91.05479	2.8
93.07042	9.7
95.04972	5.7
95.08614	21.1
97.02892	2.8
97.10180	11.3
99.08096	2.8
102.26556	1.2
105.07044	5.9
107.08620	5.0
109.02900	6.9
109.06541	2.8
109.10185	4.2
111.08073	4.1
113.68406	0.9
121.10153	2.1
123.08080	3.7
123.11713	90.5
127.03932	14.3
133.10139	6.0
137.03015	1.0
137.05925	1.3
139.11226	1.7
141.09113	3.5
141.12727	4.9
145.05045	1.1
151.11198	17.4
163.03964	2.6
169.12257	56.1
176.94695	1.0
181.21541	1.2
187.13316	28.4
206.65224	1.2
229.14455	5.1
249.14922	1.8
277.14441	5.0
295.15421	24.5
313.16461	12.3
331.17532	78.2
414.45218	1.2
453.24368	1.4
471.26660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	5.3
53.03949	25.9
55.01868	12.5
55.05518	35.3
57.03447	22.8
59.04985	4.1
61.80217	3.6
62.35377	2.9
64.66670	2.8
65.03939	8.6
65.78411	2.9
67.05511	61.2
69.03079	4.2
69.03433	36.6
69.07072	21.6
71.04990	12.6
71.52010	3.6
73.02923	4.4
73.06574	3.3
78.33030	3.1
79.05503	100.0
81.03426	85.9
81.07064	61.2
83.01333	7.8
83.04994	34.5
83.08633	15.3
85.02927	19.0
85.06541	4.3
91.05492	83.5
93.07053	77.7
95.04985	33.3
95.08620	32.8
97.02885	19.4
97.06536	14.7
97.10184	6.5
99.04462	9.3
103.05463	3.4
105.06325	3.9
105.07034	63.5
107.04969	32.6
107.08614	35.9
108.18182	3.7
109.02931	15.6
109.06517	13.2
109.10151	10.5
111.04455	18.7
111.08073	8.7
115.05488	7.5
117.07044	27.5
119.04903	4.1
119.07842	3.4
119.08601	39.9
121.06494	8.3
121.10170	17.2
123.08048	10.1
125.09637	7.1
127.03947	19.0
128.06238	7.3
129.05553	4.0
129.07028	28.1
131.04927	5.6
131.08598	19.5
133.06500	5.4
133.10136	9.7
135.08061	8.4
135.11690	14.4
139.07419	3.2
141.06987	4.2
143.08556	17.9
145.06519	7.7
145.10126	29.0
147.08066	10.1
147.11688	30.6
153.12724	11.9
155.08620	4.3
157.10165	7.0
159.11723	5.3
161.09619	7.4
161.13290	5.8
163.03918	5.4
163.11205	31.8
171.11708	30.0
173.09526	8.7
181.12184	10.2
187.11130	4.3
189.12767	8.1
191.10686	9.6
207.13829	30.4
209.11694	10.5
219.14040	4.3
225.14862	3.9
227.12737	20.8
241.15854	5.8
259.16907	8.9
265.14386	7.8
265.30930	3.2
269.15363	8.0
281.17505	68.4
283.15399	49.8
287.16351	8.5
308.50497	3.0
351.18176	5.1
353.16058	7.5
371.84439	3.2
425.21695	7.8
427.19519	23.3
471.27374	22.3
489.28461	55.9
507.29309	4.4
569.31335	8.4
616.00525	4.0
633.32745	54.5
651.33521	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	651.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.05508	6.5
57.07075	2.3
67.05509	15.3
67.93126	1.4
69.03436	4.4
69.07068	10.6
71.05015	1.7
73.02895	1.9
77.04002	1.6
79.05478	10.2
81.03436	2.8
81.07060	31.4
83.04974	3.5
83.08617	6.8
85.02908	10.9
91.05487	16.3
93.07047	44.2
95.04981	4.1
95.08610	52.4
95.33173	1.7
97.02893	3.7
97.06522	2.0
97.10173	3.6
99.08084	2.0
105.07024	33.5
107.08593	70.3
108.57761	1.5
109.02876	2.2
109.06538	3.9
109.09470	2.5
109.10159	29.1
109.79406	1.5
111.08089	16.0
117.07031	5.9
119.08581	60.6
121.10146	32.6
123.08057	2.8
123.11729	11.9
125.09634	50.5
127.03894	2.4
129.07005	2.8
130.07814	2.3
131.08565	22.0
133.10139	46.0
135.08095	2.9
135.11691	20.3
137.05974	2.1
137.09625	5.0
142.07729	1.6
143.08603	8.6
144.09416	2.3
145.10120	41.4
147.11681	20.4
149.09633	3.2
149.13300	11.3
151.07524	1.8
151.11203	7.7
153.09048	2.9
157.10109	8.2
158.10864	1.6
159.11697	42.2
161.13281	17.1
163.11215	3.3
163.14803	10.1
169.10124	3.0
171.11740	9.2
171.59441	1.7
172.12445	2.7
173.13281	25.8
175.14841	22.7
177.16414	13.5
179.10712	2.1
183.11635	2.8
184.12550	1.8
185.13269	6.7
185.58707	1.6
187.14824	49.2
189.16391	52.9
191.14307	5.4
191.17966	8.3
193.15933	3.0
197.13324	2.5
198.14229	1.5
199.14845	20.6
201.16383	78.1
203.17932	15.0
205.15909	9.1
205.19563	1.5
207.17453	4.0
213.16367	38.5
215.17963	29.4
217.15919	6.3
217.19461	3.4
219.17447	28.5
219.19418	2.8
223.14616	2.0
225.16350	3.6
227.17926	5.4
229.15796	2.9
229.19588	4.1
231.17474	4.2
233.19054	5.8
235.16924	9.0
239.17924	2.5
241.19522	8.6
243.21115	3.9
247.16930	18.5
249.18658	2.9
251.18124	2.2
253.19554	1.9
255.21147	5.4
259.17017	2.1
259.20639	2.4
261.18573	13.3
267.20969	7.7
269.22574	3.3
275.20169	2.2
281.22623	3.7
327.23199	2.8
333.25708	2.0
341.24881	8.6
343.26337	2.4
389.32040	18.9
391.33661	3.4
395.29428	1.7
407.33102	75.1
409.34726	6.7
417.31506	2.1
423.32562	10.5
425.34122	2.7
435.32587	43.7
453.33667	100.0
454.34406	2.4
471.35117	3.1
631.95013	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	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75627	2.6
53.03942	7.2
55.01877	4.6
55.05514	26.2
57.03431	11.1
57.07072	5.7
67.05508	100.0
69.03432	26.2
69.07076	16.5
69.98116	11.9
71.04981	6.7
77.78900	2.5
79.05495	36.1
80.25024	2.9
81.03420	35.1
81.07062	58.7
83.04999	18.3
83.08627	16.6
85.02894	3.4
85.06531	5.2
91.05485	30.2
93.07037	34.0
95.04963	10.5
95.08076	3.5
95.08624	41.2
97.02894	11.5
97.06534	4.8
97.10155	12.0
99.04471	4.9
105.07042	26.7
107.04986	5.4
107.08604	26.0
109.02850	9.3
109.10168	75.8
111.04451	9.0
111.08079	4.3
117.07041	14.0
119.08576	25.2
121.06579	2.8
121.10134	16.3
123.04491	2.7
123.08099	6.4
123.11709	5.5
124.55543	2.7
125.09629	7.8
127.03876	5.6
128.06218	3.2
129.05476	5.6
129.06999	9.9
131.08577	18.8
133.06505	3.5
133.10115	14.7
135.08063	5.7
135.11696	11.6
136.05875	2.8
137.09613	6.5
141.07025	4.5
143.08519	8.0
144.79724	3.0
145.06534	4.1
145.10133	17.2
147.11693	9.0
149.09657	3.0
149.13252	4.0
151.11143	2.7
153.09056	3.0
155.08511	2.8
155.10695	4.9
157.10094	7.7
159.08171	2.8
159.11700	10.0
161.09555	3.4
161.13261	4.8
163.11174	5.7
169.10190	4.9
171.08049	3.7
171.11699	7.2
173.11719	21.2
173.13231	5.1
175.14911	3.1
182.82368	2.7
183.11691	4.4
185.13272	5.9
189.11227	7.7
189.12727	4.0
195.11565	4.7
199.14659	3.1
201.12842	3.3
209.59450	2.9
211.14879	3.7
222.04567	2.8
227.12770	10.0
229.14355	42.3
240.34612	2.5
245.13716	2.7
245.51320	2.6
259.20380	3.9
261.22278	5.5
273.21741	2.5
283.20453	2.5
301.21625	8.1
335.25845	16.6
337.27426	3.7
341.24762	3.2
351.23187	7.0
369.24088	11.3
371.16980	3.6
373.18539	8.1
387.25479	12.9
405.26627	5.4
425.26825	3.6
443.27872	4.4
461.29028	10.0
479.30182	7.6
489.35654	11.2
597.37616	7.7
615.39142	8.3
619.25403	3.8
633.39935	47.6
651.40454	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	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01864	4.6
55.05514	21.8
57.03440	13.3
57.07075	3.0
59.05008	1.8
65.03934	3.7
67.05511	100.0
69.03434	24.0
69.07086	10.2
70.64324	4.0
71.04997	8.6
71.08621	1.5
79.05074	2.6
79.05499	29.3
81.03427	25.2
81.07059	51.8
83.04984	13.2
83.08624	13.2
85.02898	5.6
85.06543	4.3
86.09753	1.6
87.04445	1.7
89.76369	1.7
91.05486	30.4
93.07053	29.2
95.04968	7.3
95.08615	30.7
97.02911	6.4
97.06545	4.6
97.10171	8.9
99.04470	4.3
99.08106	3.6
105.07037	25.4
107.04966	4.5
107.08604	19.6
109.02897	7.9
109.06520	6.8
109.10167	69.6
110.10444	1.7
111.04450	5.0
111.08102	5.6
117.07054	11.5
119.08582	22.8
119.39150	1.6
121.06505	3.9
121.10157	13.0
123.08083	4.0
123.11745	3.1
123.75128	1.7
125.09644	6.7
127.03891	3.5
128.06291	2.3
129.05487	5.4
129.07010	5.3
131.08582	16.4
133.06508	3.5
133.10155	14.5
135.08075	3.7
135.11729	8.1
137.09598	5.0
137.13239	1.7
139.11156	1.9
142.07741	2.4
143.08571	7.8
145.06503	3.3
145.10141	9.6
147.08003	2.8
147.11685	9.1
149.09637	2.7
149.13278	5.9
155.08612	3.9
155.10727	3.0
157.06540	1.9
157.10144	8.3
159.08083	2.8
159.11696	9.2
159.12851	1.9
161.13251	4.9
163.11174	2.3
169.10184	2.3
171.11707	5.0
173.09622	2.4
173.11748	17.3
173.13283	5.6
175.11281	2.8
175.14835	5.4
181.10127	1.9
183.11732	4.4
185.09621	2.9
185.13313	5.9
187.11191	2.6
187.14905	2.4
189.11191	3.9
189.12776	1.8
193.10106	1.5
195.11723	3.3
197.13354	3.3
199.11209	2.2
201.12642	2.0
209.13388	2.1
223.14879	2.9
227.12682	8.7
229.14349	44.7
245.13789	4.0
251.81926	1.7
253.51418	1.6
261.22073	4.5
270.28198	1.6
279.38391	2.0
281.76373	1.7
289.17972	2.0
289.21545	1.8
291.23434	2.9
299.14865	3.6
301.21646	3.3
303.23175	4.7
315.23547	1.8
319.22775	3.0
327.23611	3.0
335.25821	6.6
337.27350	2.2
341.24796	1.9
345.24411	3.3
351.23090	4.8
369.24222	11.3
371.16907	3.6
373.18576	5.5
387.25638	8.4
405.26303	3.9
443.27914	4.0
461.28772	7.7
479.30139	5.3
487.33780	2.6
489.35797	7.9
531.36951	2.5
547.34869	1.7
559.23431	2.1
559.35651	2.1
573.38104	2.3
585.37445	2.0
597.37531	9.8
603.39191	3.7
615.38922	9.8
619.26044	2.1
633.40112	38.5
651.40759	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.8
55.05260	3.9
55.05514	29.4
57.03438	12.8
57.07085	3.9
59.05021	3.3
61.83924	2.5
67.05513	100.0
69.03441	23.6
69.07064	14.5
71.05003	7.5
79.05502	32.0
81.03424	54.1
81.07065	59.2
83.04998	25.6
83.08620	15.0
85.02916	8.5
90.57381	2.4
91.05495	25.3
93.07045	37.6
95.04964	7.7
95.08621	36.6
97.02902	16.8
97.06532	4.4
97.10188	18.1
99.04462	5.9
99.13084	2.7
104.85704	2.5
105.07047	24.3
107.04957	4.0
107.08597	24.8
107.81877	2.8
109.02889	8.8
109.06537	5.6
109.10165	58.3
111.04456	10.0
111.08109	3.6
113.52562	2.6
115.05432	3.3
117.06988	14.0
119.08599	23.9
121.10157	18.2
123.08044	4.3
123.11742	7.6
125.09666	15.7
127.03938	7.8
129.05493	13.1
129.07019	6.4
131.08606	19.2
133.06465	4.2
133.10181	13.4
135.11703	11.2
137.09653	6.0
141.07016	4.0
143.08600	7.6
145.06557	4.4
145.10176	12.9
147.11728	9.9
149.09621	4.0
149.13307	4.5
153.05540	5.1
153.12766	2.7
155.08627	2.9
155.10651	3.3
157.10132	6.2
159.08095	3.5
159.11739	9.5
161.13290	5.2
161.52979	2.7
163.11189	5.2
163.14722	2.8
169.10172	2.8
170.16580	2.9
171.11742	4.8
173.04662	2.9
173.09726	3.0
173.11748	15.6
173.13182	6.0
175.11235	4.4
183.11700	3.3
185.13297	3.1
187.11159	2.8
187.14891	4.8
189.11232	7.5
189.12827	5.1
190.69118	2.5
197.13226	3.0
199.14824	4.5
227.12753	14.7
229.14317	30.3
243.54112	2.9
245.13919	4.8
259.20645	3.9
261.22147	8.4
263.23862	3.3
264.12000	2.6
277.21637	4.4
289.98309	3.2
299.14841	4.2
335.25891	25.1
337.27441	15.9
341.24487	4.4
351.23364	6.8
369.24203	12.8
371.17017	5.4
373.18549	9.1
387.25366	5.2
402.45544	3.2
405.26672	4.9
443.22620	3.7
443.28107	5.6
461.28836	8.2
479.30237	4.1
489.35739	8.6
499.20517	3.1
507.37418	3.5
559.23401	25.6
559.36407	4.4
587.23138	5.9
597.37701	6.0
615.39233	11.7
619.25610	32.5
633.40161	35.7
651.27966	20.7
651.39111	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	651.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.8
55.01876	3.3
55.05519	25.6
57.03438	10.4
57.07064	4.1
59.05012	5.1
65.03928	2.9
67.05506	100.0
69.03430	20.8
69.07072	16.0
71.04986	7.5
71.52415	3.2
77.35101	2.2
79.05491	32.4
81.03421	47.8
81.07057	59.4
83.04984	21.4
83.08608	14.5
84.93726	2.4
85.02906	5.6
85.06562	3.0
91.05486	29.5
93.07044	29.7
95.04992	7.8
95.08607	33.1
97.02890	16.6
97.06540	5.2
97.10161	14.9
99.04441	5.9
105.07043	22.3
105.67551	2.7
107.04960	4.4
107.08598	20.0
109.02879	8.0
109.06521	3.2
109.10159	65.5
111.04449	10.8
111.08084	4.0
117.07004	12.5
119.08596	21.0
121.06458	4.5
121.10158	15.7
123.11697	8.2
125.09651	12.7
127.03928	10.7
129.05493	14.1
129.07008	5.1
131.08582	11.8
133.10155	13.2
135.08051	4.8
135.11702	9.6
137.09561	4.3
143.08615	6.2
145.06557	2.8
145.10091	13.2
147.11688	10.1
149.13275	6.4
155.08717	4.5
155.10698	5.1
157.10185	3.0
159.11720	8.6
161.09673	2.5
161.13185	6.0
161.88689	2.5
163.14777	4.4
169.10165	5.0
171.11714	3.4
173.11740	13.8
173.13229	5.6
175.11179	4.1
175.14787	3.0
183.11650	4.7
185.13358	2.9
189.11234	12.9
209.70430	2.6
223.14914	3.6
227.12729	16.6
229.14359	33.9
240.72850	2.6
243.21233	3.3
245.13876	5.9
255.52086	2.8
259.20813	3.6
261.22180	7.1
299.14960	5.1
301.21716	7.2
323.24100	3.3
327.23514	4.0
335.25760	22.7
337.27466	10.6
341.24768	3.5
343.22543	3.6
351.23376	6.0
369.24451	13.1
371.17084	6.4
371.25909	4.3
373.18631	8.0
387.25256	7.0
405.26364	3.7
415.19232	4.0
429.20993	4.9
443.27734	3.3
461.28806	6.5
471.22141	3.9
472.22351	4.8
474.21213	2.7
489.35699	11.6
499.21460	7.4
500.22311	2.7
507.36801	7.2
517.22491	5.4
531.23987	6.4
549.24811	5.0
559.23425	57.3
587.22522	9.1
597.38000	7.7
610.76074	3.0
615.38904	5.9
619.25580	65.1
620.25513	4.8
633.39899	35.6
651.27808	28.4
651.40698	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	652.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.4
55.01868	4.1
57.03438	3.2
58.07393	0.5
61.02924	3.3
67.05460	0.8
69.03429	16.6
69.07060	1.3
71.04995	1.7
71.48209	0.9
73.02923	9.2
75.07320	0.6
79.05501	1.3
81.03423	13.0
81.07061	2.9
85.02907	41.8
87.04462	1.2
91.03957	2.5
91.05473	2.5
93.07043	2.3
94.04166	1.5
95.08604	1.4
97.02897	19.7
99.04441	3.4
101.02385	34.3
103.03895	0.6
105.07024	2.3
107.04946	1.3
107.08572	2.0
108.04520	1.0
109.02879	13.2
109.06512	1.2
109.10160	1.0
110.12392	0.6
115.03918	0.8
117.07013	1.4
119.03418	8.2
119.04937	0.7
119.08586	1.5
121.06500	5.6
121.10172	1.1
122.03642	4.2
123.11758	0.7
126.05572	0.8
127.03916	28.1
130.04208	0.7
131.04903	0.8
133.10078	1.6
133.74992	0.6
135.04385	0.7
136.05194	0.8
137.05980	100.0
138.06340	0.8
143.03403	0.7
145.04965	22.5
145.06454	1.8
145.10146	1.2
146.06300	0.6
146.07246	3.3
147.04410	0.9
147.08075	1.3
147.11707	1.6
148.12054	0.6
149.05977	5.2
151.07555	14.0
151.11195	1.1
157.06432	0.8
159.08002	0.7
159.11794	1.5
161.06038	1.3
162.06750	1.1
163.03896	0.9
163.06041	2.5
165.05453	3.2
173.04503	1.5
175.07541	1.0
175.68559	0.6
177.05547	4.0
177.09102	13.1
179.07059	1.7
187.07520	0.8
189.09108	1.7
191.10754	0.9
199.07642	0.6
201.09163	1.7
201.16357	1.1
209.75322	0.6
217.08495	1.1
219.10222	1.9
227.05527	1.8
235.11414	1.2
237.11217	6.1
245.06606	11.4
245.09393	1.6
246.10501	1.2
249.11197	0.9
262.09601	1.4
263.07654	6.9
263.10339	1.5
273.09091	1.3
274.09924	1.5
277.12189	1.5
290.09433	1.8
293.71527	0.6
295.13290	2.7
304.37915	0.6
305.11737	15.4
306.12442	1.3
323.09244	0.9
323.12784	7.2
333.24380	0.8
337.14310	5.4
355.15396	33.5
373.16446	54.8
390.56299	0.7
397.16574	2.9
415.17719	0.9
429.81549	0.7
439.17664	0.9
463.17432	2.7
481.18683	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	653.2607
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
52.57375	0.8
52.65677	0.9
54.36556	0.9
64.83168	0.8
67.05499	1.4
67.35177	0.9
69.15131	2.0
69.15532	8.7
81.07076	1.0
96.54465	0.9
150.58871	1.0
191.24222	1.0
209.10835	0.9
215.02847	1.0
237.10355	1.2
307.89468	1.0
363.16281	3.1
366.12555	1.0
370.15482	1.3
375.16031	1.5
376.16739	2.6
377.17584	5.3
378.18311	4.5
384.13608	1.2
387.16394	1.2
389.17813	1.9
390.18494	2.6
391.19217	9.8
392.19870	3.3
393.20877	4.9
401.17621	1.2
402.18259	1.5
403.19516	1.9
404.20157	1.3
405.16489	1.0
405.21036	5.9
406.21994	1.8
407.22385	10.3
419.17914	1.8
419.22504	3.8
421.20526	8.0
422.17618	1.3
431.18726	2.7
433.20270	3.6
434.21078	3.7
435.21909	15.0
436.22858	2.0
437.20050	3.0
445.20483	1.4
447.22198	4.7
448.22586	1.3
450.20587	1.2
451.21347	6.8
459.18033	2.9
461.18802	1.3
461.23746	1.9
462.24448	1.4
463.20993	1.4
465.19122	7.9
466.20013	2.4
473.19614	2.9
474.20712	1.4
475.21274	1.9
479.20782	17.4
480.21469	2.5
489.18738	1.8
489.23380	1.6
490.23050	1.2
491.24725	1.5
492.21295	1.8
493.26303	1.4
501.19177	4.5
502.20105	1.7
505.19052	4.0
506.19293	1.3
507.23294	1.3
515.20892	6.2
516.21490	3.0
517.22388	31.2
521.25842	5.1
522.26190	3.2
531.24469	1.2
533.21863	2.1
537.24677	3.1
547.23639	3.1
549.25037	35.2
551.22693	7.5
561.21991	1.1
565.24481	5.2
566.25189	22.8
575.22974	10.0
576.23547	1.3
593.23859	15.9
594.24469	3.6
607.25275	6.0
609.27094	10.0
621.26672	1.1
625.26031	2.8
635.25000	93.7
636.25458	2.5
653.26031	100.0
654.25958	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	653.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35710	0.4
69.37762	0.4
71.03976	0.9
81.07037	0.4
101.15099	0.5
118.06469	0.7
120.08021	1.1
133.46454	0.4
137.37778	0.4
147.53160	0.5
172.03839	0.7
194.08087	0.5
195.09071	0.6
196.09863	0.7
197.10646	1.0
204.06517	0.6
207.09100	0.7
208.09804	0.6
209.10732	1.8
210.11415	1.8
211.12186	1.2
212.13017	0.5
219.08960	0.6
220.09685	0.6
221.10600	1.2
222.11461	1.0
223.08621	0.6
223.12312	2.2
224.13028	0.5
225.10233	0.6
225.13849	4.8
226.14551	1.1
233.10727	0.6
235.08604	0.9
235.12227	1.6
236.09238	0.6
237.10068	1.0
237.13866	2.8
238.14557	0.7
239.11790	0.7
239.15303	1.3
245.80482	0.4
247.12306	0.8
248.09129	0.5
248.13057	0.4
249.10188	2.7
249.13812	1.6
250.10796	0.4
251.08098	0.9
251.11775	1.4
259.12445	0.4
263.08182	0.7
265.09717	0.4
269.12744	0.5
270.13623	0.5
275.15216	0.7
277.09659	1.6
287.11282	0.4
293.09256	0.7
293.12872	0.7
306.64270	0.4
307.10876	0.4
314.12909	0.7
314.16382	0.7
315.17105	0.5
323.10422	0.4
325.12112	0.6
326.12979	0.8
327.13571	0.6
328.14420	0.7
336.11377	0.5
337.11948	2.0
338.12701	1.1
338.16486	0.5
339.13669	0.4
340.10696	0.5
340.14429	0.5
350.12869	0.5
351.13727	0.6
352.14447	1.1
353.15021	0.6
354.16022	0.5
366.16095	1.6
368.13696	0.8
368.17758	0.5
380.13629	0.7
382.15652	0.7
387.16238	0.7
390.19574	0.7
391.48148	0.5
394.15472	1.0
396.13336	1.7
399.16745	0.6
401.17804	1.2
402.18723	0.9
403.19159	1.5
410.15042	0.9
411.15555	0.5
412.16962	0.5
415.15637	1.5
415.20117	0.7
416.15915	0.6
416.20691	0.7
417.16415	1.1
417.20914	1.7
426.18332	0.8
428.16144	0.7
429.16968	3.0
430.17523	1.9
431.18668	2.8
431.23035	1.3
433.19879	0.9
435.21689	0.7
442.18771	0.6
443.18991	1.8
444.19144	2.2
445.20377	3.5
446.20850	4.1
447.22226	2.9
454.17743	2.0
455.19168	0.6
456.14941	0.5
457.16260	1.1
458.21506	0.5
459.22360	5.4
460.22363	1.4
461.23764	0.9
471.18219	1.7
472.18823	0.9
473.18793	0.6
473.24045	0.9
474.19452	2.1
475.21078	3.1
483.21017	0.8
486.24188	0.5
487.21396	9.9
488.22092	1.5
489.22842	0.7
501.23038	4.7
502.19855	0.8
503.20572	1.0
504.21506	0.8
505.25833	0.5
515.20825	2.9
516.24170	0.6
517.21234	0.6
518.23029	0.8
519.24036	3.7
521.25403	1.0
529.22229	3.7
531.20148	1.0
532.23694	0.7
533.25629	5.1
534.22778	0.9
535.22864	0.5
546.22351	0.7
547.23511	2.4
561.24994	87.1
562.25360	2.6
571.23248	0.5
579.26843	0.4
589.24384	7.4
592.26581	3.1
593.31958	0.9
621.27081	100.0
622.27362	2.8
635.28137	0.7
653.31384	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76036	0.4
67.74046	0.5
69.72495	1.1
69.72901	1.7
81.06973	0.4
94.06458	0.5
118.06469	0.6
120.07967	1.1
128.70790	0.5
159.08937	0.6
170.44922	0.4
182.09547	0.6
195.09052	0.8
196.09843	0.8
197.10649	0.6
204.06511	0.8
207.09030	0.9
209.10599	1.3
210.11398	1.7
211.12242	1.4
212.12907	0.7
220.09819	0.6
221.10568	1.5
222.11394	1.3
223.08720	0.8
223.12355	3.0
224.13017	0.9
225.13850	5.8
226.14526	1.3
233.10419	0.5
234.07939	0.5
234.11391	1.2
235.08568	1.2
235.12218	1.4
236.09288	0.6
237.10156	1.4
237.13861	2.9
238.14651	0.9
239.15382	1.2
247.08472	0.7
247.12148	0.6
248.09406	0.5
249.06392	0.4
249.10280	2.6
249.13786	1.9
250.11035	0.9
251.08014	1.3
251.11720	1.0
253.13522	0.5
263.07996	0.9
265.09613	0.4
270.13788	0.6
272.12915	0.4
273.13727	0.5
275.15308	0.6
277.09680	2.0
293.09207	0.6
293.12967	0.5
295.11102	0.5
300.15134	0.5
307.10956	0.6
309.12372	0.6
314.12839	0.9
325.12039	0.7
328.14496	0.6
335.10419	0.9
337.11951	2.2
338.12891	0.7
338.16492	0.6
340.14517	0.8
351.13779	1.4
352.14435	0.9
364.14508	0.9
366.16061	1.4
368.13657	0.8
380.14111	0.8
382.15314	1.0
386.16391	0.7
387.16379	0.9
394.15479	1.1
396.13379	1.4
399.16769	0.7
401.13513	0.7
401.18039	0.9
402.18396	1.4
403.19281	1.2
411.16260	0.5
412.16748	0.8
415.15265	1.1
415.20078	0.6
416.15854	1.0
416.20618	0.8
417.16919	1.6
417.20963	1.5
426.17871	1.0
428.15665	0.6
429.17279	3.0
430.17719	1.8
431.17786	3.7
431.23074	1.4
432.18710	0.7
432.23911	0.6
433.19867	0.6
442.19031	0.6
443.18771	2.0
444.19360	2.1
445.20477	3.1
446.21130	3.3
447.21933	4.0
454.17468	2.3
456.15417	0.5
458.21127	1.0
459.22537	4.6
471.18030	1.5
472.18954	2.1
473.23514	1.6
474.19897	0.9
475.21545	2.7
487.21442	10.9
488.22559	0.9
501.23016	4.4
502.20447	1.5
503.20618	1.1
515.20795	2.8
517.22113	0.9
518.23132	1.1
519.24146	2.8
529.22406	4.1
531.20319	1.3
533.25848	4.4
534.22510	1.7
546.22729	0.8
547.23499	2.3
561.24994	97.6
562.25385	3.3
589.24371	7.3
593.27942	0.9
621.27106	100.0
622.27594	3.1
653.29639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45591	0.4
56.67585	0.4
58.75638	0.4
60.27522	0.4
69.75656	1.0
69.76048	0.9
71.72352	0.4
79.32684	0.5
105.07025	0.4
125.18473	0.4
167.08734	0.4
167.21573	0.4
179.02299	0.4
209.10732	0.5
219.76495	0.4
237.14005	0.4
287.25171	0.4
366.57129	0.4
376.17087	0.6
377.17807	1.1
390.18512	1.4
391.19202	4.0
392.20163	1.6
403.19699	0.5
404.20377	1.0
405.20721	7.6
406.21524	6.1
407.22412	0.9
419.22662	2.5
420.23044	4.4
421.23914	9.1
427.31796	0.5
431.18118	0.6
433.20358	3.1
433.24942	1.3
434.24854	0.9
435.18124	0.8
436.19034	2.0
445.20499	1.7
447.21561	0.8
449.19891	1.3
449.27164	0.8
450.20258	2.4
451.21317	1.2
452.22238	2.0
458.17145	0.6
460.22742	2.2
461.23315	1.1
463.21558	0.5
464.22314	0.8
465.22882	33.8
466.23047	0.5
473.19778	1.9
475.20819	0.5
475.25470	0.8
477.22324	0.8
478.23737	1.0
479.24442	7.1
480.25198	2.9
487.21356	1.7
488.21967	4.3
491.20740	1.4
492.21588	1.0
501.23303	0.7
503.24445	35.6
504.24591	0.9
505.22556	0.6
507.27386	2.8
533.25580	0.7
535.27081	25.4
536.27228	0.7
551.26569	4.3
551.34320	0.7
561.24908	1.2
566.28748	1.1
579.25995	29.2
580.26544	0.8
593.27350	1.3
594.28363	10.0
621.26947	5.6
653.29694	100.0
654.30066	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	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04644	1.1
57.46894	1.1
66.73174	1.3
69.80327	6.1
73.26550	1.1
76.46899	1.0
98.20636	1.0
98.22086	1.1
120.08132	1.4
214.67966	1.1
225.13927	2.0
237.13942	1.9
393.20782	1.7
429.17206	1.5
445.20181	1.7
447.21716	1.9
457.20981	1.4
459.21884	2.3
463.21161	3.0
475.21570	1.6
479.24219	1.6
487.21487	3.5
491.20993	5.2
492.21622	1.3
500.22308	2.6
501.19171	4.6
501.22894	3.9
502.22247	1.1
504.21716	1.5
505.24408	1.3
517.22791	1.6
519.23694	4.4
523.26978	1.5
529.22546	2.5
544.24799	2.9
550.26288	1.3
551.26886	7.4
560.24274	8.2
565.27844	1.6
566.28821	2.1
575.26575	10.2
588.23755	6.2
603.26190	3.2
621.28900	2.0
635.28687	58.7
635.39337	3.0
653.29773	100.0
654.30096	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	653.2973
Annotation	Haplophytine
Peak:m/z	Relative Intensity
52.60827	1.3
54.99536	1.2
69.32593	10.1
75.50307	1.4
85.00704	1.3
87.81722	1.5
96.48129	1.5
102.21014	1.4
105.13232	1.4
121.10190	1.4
216.51872	1.7
308.02353	1.5
389.17746	3.3
390.18265	3.1
402.19608	1.5
403.19492	3.2
404.20096	6.0
405.20773	2.4
415.19504	2.4
417.21396	3.0
419.22571	5.4
427.19266	2.1
431.18570	4.7
433.19501	7.9
445.20184	3.1
447.21881	7.2
459.22168	2.9
461.19946	3.2
473.19257	2.0
475.21500	7.9
477.19513	2.2
483.21851	1.8
484.22546	4.6
485.19302	2.5
487.21579	4.7
489.22397	2.3
491.20627	13.6
501.23294	3.7
502.23630	6.9
505.26306	2.1
506.26910	4.5
517.22424	1.9
519.23364	2.0
529.22113	2.2
533.26086	3.4
534.26257	12.4
543.23706	2.8
544.23956	1.8
545.25250	2.9
560.24146	2.1
561.25049	4.8
571.23511	10.3
575.26532	21.9
593.27649	6.5
603.26349	8.5
621.27136	47.6
635.28735	49.1
653.29718	100.0
654.30603	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	653.2974
Annotation	Haplophytine
Peak:m/z	Relative Intensity
52.81388	0.4
57.07078	0.4
69.17772	0.4
70.82468	0.9
70.82816	0.4
81.07131	0.4
83.31299	0.3
209.10764	0.8
210.11565	0.5
211.72021	0.4
221.10826	0.6
223.12404	1.1
224.13203	0.4
225.10327	0.5
225.13884	0.6
235.12350	0.4
249.13934	0.6
300.15189	0.6
311.14038	0.9
326.16681	0.8
327.17474	0.5
340.18289	0.7
364.18115	0.5
384.17355	0.5
386.18719	1.1
388.17474	0.5
389.17776	1.7
390.18658	1.7
391.19080	2.2
392.20255	0.4
398.18381	0.9
400.20389	0.7
402.22275	0.6
403.19513	2.8
404.20053	4.4
405.20755	10.9
406.21640	1.0
416.20175	0.7
417.21222	2.4
418.22064	2.3
419.22433	8.5
420.23245	3.1
421.24142	0.7
421.44730	0.4
423.00546	0.5
428.18857	0.4
431.22427	1.9
432.23206	1.6
433.18250	0.5
433.24072	7.0
434.18878	0.6
434.24771	3.9
435.18292	1.7
441.20483	0.5
444.19308	0.8
445.19794	0.6
447.20929	4.1
448.18939	0.8
448.26224	1.3
449.19482	6.1
450.20490	2.8
452.22156	0.5
458.20663	0.6
459.21811	1.5
460.22571	0.8
461.19547	0.8
462.20859	1.1
463.21277	5.9
464.22113	4.5
465.22580	2.0
471.18390	0.7
472.18973	1.0
473.18680	0.6
473.24042	0.8
474.23602	0.9
475.21231	2.5
476.22165	0.5
477.22974	4.6
478.23880	3.5
479.24445	36.0
480.25385	0.8
482.06223	0.4
485.19498	0.5
486.20370	0.5
487.21341	5.1
488.21884	0.8
489.23267	0.5
490.24387	0.5
491.20529	2.2
491.24646	2.9
492.25583	2.8
493.26068	1.5
500.22702	0.5
501.23248	4.2
502.23624	2.1
503.23752	0.5
505.26788	1.0
506.26456	1.1
507.27585	20.3
508.27713	0.6
517.22455	0.5
518.23254	0.8
519.24121	3.5
533.25537	5.1
534.24921	0.7
535.24048	0.9
536.24475	0.9
537.24939	9.5
550.25439	1.1
551.26563	33.4
552.27295	0.7
560.23822	0.8
561.24921	5.8
562.26184	0.7
563.22913	1.3
565.28143	14.4
566.28906	59.6
567.29449	1.9
575.26331	1.4
578.24829	0.9
593.27557	7.8
603.26141	0.7
621.27118	15.3
625.29706	0.7
635.28400	2.1
638.26947	0.5
653.29767	100.0
654.30432	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	653.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.5
55.01622	2.0
55.01870	15.2
55.05510	20.2
57.03437	11.6
59.04998	2.7
59.14696	1.2
65.03926	1.9
67.05506	31.8
69.03434	21.6
69.07065	9.3
69.47282	1.2
71.01334	2.6
71.05006	12.7
73.02909	1.2
73.97690	1.1
79.05072	2.1
79.05499	31.4
81.03423	100.0
81.06593	2.0
81.07059	26.7
81.75961	1.2
83.01355	6.1
83.04982	30.8
83.08621	13.0
85.02915	9.6
85.06550	2.8
91.05490	20.6
93.07049	36.2
95.04964	12.8
95.08619	15.1
97.02899	26.1
97.06528	11.3
97.10162	4.6
98.20731	3.2
99.04465	13.5
101.02383	2.1
105.04557	1.5
105.07040	14.3
107.04969	14.3
107.08601	21.5
109.02895	27.6
109.06519	7.0
109.10170	9.4
109.17310	1.6
111.04453	31.8
111.08083	11.7
115.05468	2.1
117.07024	9.9
119.04951	1.9
119.08579	13.2
121.06512	4.9
121.10149	14.1
123.04435	3.4
123.08090	6.8
125.06011	3.3
125.09619	3.1
127.03929	21.8
129.05499	2.3
129.07011	4.1
130.07790	1.7
131.04906	2.7
131.08578	7.1
133.06506	1.4
133.10161	3.7
135.04437	4.0
135.08081	3.0
135.11696	23.4
137.06032	3.0
137.09627	2.3
139.07544	1.3
139.50781	1.1
143.08591	2.4
145.04947	2.1
145.10129	24.9
147.04454	1.4
147.08078	4.3
147.11711	4.0
149.09587	2.9
153.07106	1.4
153.11522	2.3
153.12749	25.7
155.08571	3.6
157.10133	1.4
159.11787	1.5
161.09669	1.8
163.03957	9.5
163.11192	39.4
165.05441	2.2
173.09628	8.6
181.12257	23.9
181.13771	2.5
189.11255	3.5
191.10689	24.2
193.12242	1.5
209.11763	17.2
211.13193	2.2
212.23758	1.2
215.10692	1.9
227.12782	51.1
227.14960	2.7
229.01651	1.5
247.13445	1.8
274.13202	1.2
283.15408	78.1
284.15790	1.6
289.69971	1.3
301.16666	2.1
311.14972	3.5
317.13840	2.4
325.16437	2.7
335.15039	2.3
353.15900	15.0
371.17340	1.9
391.17511	2.1
399.21924	2.7
409.18710	3.3
427.19711	28.3
444.94098	1.6
473.25565	5.0
491.26321	16.1
509.27509	13.6
561.26166	1.6
635.30682	36.1
653.31726	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01862	1.3
55.05518	9.1
57.03442	2.6
57.07071	3.3
59.05022	1.6
61.79462	1.1
67.05180	1.5
67.05508	17.2
69.03439	6.9
69.07071	5.7
71.05001	14.2
79.05495	19.5
81.03433	7.8
81.07061	100.0
83.08625	1.9
85.02909	14.4
85.06543	7.1
89.03918	1.9
89.06024	5.2
91.05478	3.9
93.07063	10.0
95.04967	7.3
95.08612	21.2
97.02898	4.5
97.10184	13.6
98.21494	2.1
99.04459	1.7
99.08083	2.6
102.18253	1.1
105.07034	2.9
107.08601	26.6
109.02879	10.1
109.06516	4.1
109.10177	3.5
111.08086	2.7
113.09649	1.3
117.03390	1.7
121.10133	3.2
121.85346	1.1
123.04449	1.6
123.08084	1.8
123.11713	87.2
125.09634	4.1
127.03922	14.4
129.05501	1.4
133.08649	1.3
133.10152	4.9
135.04402	3.9
137.05957	2.3
141.12761	3.7
143.10684	20.8
145.02846	3.2
145.05000	1.7
148.45200	1.1
149.05936	2.9
151.11188	16.1
153.05457	3.3
161.11752	1.5
163.03914	21.1
169.12248	61.2
177.05478	4.1
177.11188	1.2
183.06586	1.6
184.07495	1.1
187.13310	29.6
224.16071	1.1
229.14432	7.2
231.13997	1.4
277.14322	8.7
295.12137	2.2
295.15414	26.7
313.16449	13.2
325.09164	3.1
331.17514	75.1
333.26917	1.2
372.90829	1.2
457.20901	1.2
509.13791	1.1
526.77985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.353
Annotation	Withanoside III
Peak:m/z	Relative Intensity
51.02371	3.9
53.03957	14.2
55.01862	9.0
55.05511	28.8
57.03443	17.0
57.03665	3.0
59.72233	2.3
65.03933	5.6
67.05505	62.2
68.71653	2.9
69.03435	20.4
69.07061	15.5
69.43922	12.0
69.44357	7.7
71.04997	10.8
73.02910	2.8
79.05494	82.8
81.02929	4.8
81.03419	100.0
81.07058	68.0
83.04983	33.2
83.08623	26.2
85.02905	21.5
87.89564	2.5
91.05487	78.7
91.31154	2.2
93.07046	72.3
95.04974	39.0
95.08603	25.0
97.02911	19.6
97.06538	9.7
97.10158	9.8
99.04453	5.0
101.02372	2.6
105.06403	4.6
105.07040	57.4
107.04942	14.5
107.08601	19.0
109.02895	8.6
109.06514	10.0
109.10155	11.2
111.04430	13.0
111.08064	11.6
115.05445	5.9
117.07034	16.1
119.08572	38.9
121.02625	2.4
121.06482	4.7
121.10153	17.7
123.08076	8.3
123.11685	4.7
127.03922	9.6
128.06221	4.3
129.05495	3.7
129.07011	31.4
130.33318	2.4
131.04933	5.8
131.08585	20.2
133.06480	8.6
133.10152	20.2
135.11734	6.7
137.05974	4.2
137.09714	2.9
141.06984	3.3
143.08609	14.7
145.10106	15.9
147.08028	7.7
147.11685	39.3
149.09630	4.9
157.06543	3.1
157.10080	10.9
159.11609	2.7
161.09663	4.9
161.13264	8.6
163.03920	11.3
163.11162	7.4
165.12715	3.2
167.08643	3.6
171.08011	4.0
171.11671	17.3
173.04483	3.6
173.09637	3.1
175.11195	14.8
181.10124	3.1
185.13274	2.9
189.12695	15.5
191.10719	3.2
193.12254	34.2
207.13838	23.6
211.13287	48.1
224.44495	3.3
225.12651	3.0
225.14778	5.4
227.12682	3.0
256.52847	3.0
267.15930	32.6
269.15402	6.6
281.17490	69.2
285.17023	21.6
287.16364	6.0
310.50684	2.8
319.37457	2.5
351.18262	4.1
425.21609	6.1
429.21057	11.5
452.47977	3.3
473.29056	73.0
491.23639	2.8
491.30231	37.9
571.32953	4.0
635.34161	38.1
653.36041	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.3
55.01868	9.4
55.05513	28.7
57.03439	21.7
57.07078	48.6
65.03944	5.2
67.05504	95.9
68.87011	2.9
69.03423	9.8
69.07068	29.2
71.04980	7.7
71.08628	31.2
71.52784	3.4
71.53151	3.7
77.12193	3.6
77.40700	2.9
78.23468	3.1
79.05492	40.2
81.03423	8.9
81.07059	75.1
83.04967	12.0
83.08624	21.9
85.06522	5.6
85.10194	18.9
91.05479	66.6
93.07047	51.9
95.04961	25.0
95.08598	53.7
97.06525	100.0
97.07154	5.8
97.10165	11.2
99.08022	3.7
103.62577	3.2
105.07035	52.3
107.04964	16.1
107.08598	38.7
109.06521	28.0
109.10144	45.6
111.04532	3.8
111.08080	23.4
113.06007	9.4
115.07560	4.1
115.11330	3.3
117.07024	15.4
119.08575	17.0
121.06510	9.8
121.10155	12.4
123.08078	5.8
123.11700	10.2
125.09607	6.3
129.06985	7.8
131.08595	17.3
131.09407	3.4
133.06509	8.8
133.10132	65.8
135.08051	11.5
135.11687	4.7
137.05948	4.6
137.09586	4.4
141.07007	4.1
143.08589	4.2
145.10147	10.2
147.08072	5.4
147.11703	5.1
149.09613	12.8
151.07597	5.9
151.11191	29.2
157.10120	4.3
159.08028	4.3
159.11710	4.3
161.09625	7.9
163.11133	4.4
169.12199	7.3
173.09671	5.2
173.13257	4.3
175.11154	3.8
177.09074	6.3
179.10616	3.8
183.10223	4.0
183.11740	6.6
187.11157	4.0
190.29257	3.1
191.10625	5.5
193.12260	7.0
195.10266	4.1
197.13200	4.5
211.13354	3.3
215.12662	4.5
215.14444	5.8
217.74559	3.3
221.11732	7.2
227.12743	7.1
233.15370	5.4
247.13312	3.1
251.12827	17.8
253.14348	75.3
261.18488	13.5
269.13757	4.5
271.16833	12.0
285.16946	7.5
289.17993	62.9
307.18979	31.6
313.27328	94.5
325.20239	6.7
343.94836	3.5
345.20184	3.8
363.21646	13.0
369.29395	3.4
381.22711	41.2
495.63742	3.8
507.36710	9.9
509.38287	13.1
601.44513	12.3
619.45471	32.8
654.49072	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2768
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
67.05502	1.2
70.01018	0.5
70.01364	2.3
70.37360	0.6
79.05502	1.3
81.07056	0.9
84.80496	0.5
91.05491	0.7
91.98847	0.5
92.77176	0.5
93.07048	1.2
95.05027	0.6
95.08614	0.8
122.61918	0.6
150.36092	0.5
200.21899	0.5
291.19733	0.5
303.83917	0.5
326.16629	0.5
336.33005	0.5
377.17682	1.3
389.17883	0.7
391.19470	1.9
393.20825	1.0
403.19492	0.7
405.16516	2.9
406.17609	0.8
406.22372	0.7
407.22498	4.8
408.23111	0.7
418.17642	1.0
419.18430	5.6
420.19547	2.1
421.20358	1.8
431.18848	0.7
432.19748	0.8
433.20435	11.8
434.21094	6.0
435.22046	5.6
437.19769	0.9
439.21255	0.5
446.21112	0.9
447.18268	2.7
449.19803	2.2
460.19150	0.5
461.19437	1.4
462.20554	2.5
463.21478	2.9
465.19385	1.8
475.21390	1.4
479.20926	0.9
489.23618	0.8
490.19400	0.6
491.20810	2.0
493.22403	1.1
508.21106	0.8
520.24597	1.7
521.25690	7.2
548.23993	1.2
549.16608	1.0
549.25055	12.8
563.23065	0.6
565.24792	1.1
577.24396	9.6
580.26776	1.4
581.27478	1.4
595.25439	5.3
605.23975	0.9
609.27393	2.3
637.26501	9.9
655.27655	100.0
656.27893	2.2
664.38599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84004	1.1
75.04483	15.3
80.19349	1.1
89.91702	1.0
122.83952	0.9
133.50827	1.0
199.19427	1.0
229.24692	1.1
269.67554	1.0
280.62680	1.2
292.56873	1.0
301.25156	1.0
329.88397	1.0
331.89667	1.1
377.17630	1.1
383.97501	1.1
404.20081	1.2
405.17001	1.2
407.22348	2.5
419.18369	1.3
433.20795	5.7
434.21033	3.8
435.22043	4.7
447.17578	1.9
461.19662	11.3
462.20456	5.2
463.21158	3.7
489.22818	1.5
493.22705	1.6
507.24063	1.7
508.24548	1.5
509.25327	2.5
521.24774	3.0
548.24261	2.2
549.24927	13.1
563.25909	3.2
581.27826	2.0
595.29138	10.1
608.26300	3.2
608.36224	1.0
609.27063	2.9
623.28137	4.8
655.31262	100.0
656.31653	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	655.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
67.05507	0.3
71.52674	0.3
72.24515	0.2
75.04478	0.3
78.50005	0.2
81.07053	0.2
85.43003	0.2
91.05508	0.2
95.08597	0.2
105.07003	0.2
107.08626	0.3
125.42515	0.2
145.96577	0.2
153.73470	0.2
192.24881	0.2
195.49828	0.2
245.67140	0.2
249.10423	0.3
377.18024	0.3
379.19098	0.4
383.12158	0.2
390.18564	0.3
391.19205	0.9
392.20044	0.4
393.20868	0.5
403.19394	0.2
405.16431	1.7
405.21326	0.6
406.17368	0.4
406.21735	0.6
407.17606	0.4
407.22394	4.5
408.23099	0.2
418.17673	0.5
419.18124	2.8
420.18805	1.1
421.19904	1.2
432.19681	0.6
433.20572	4.8
434.20993	3.7
435.21878	8.4
436.22583	0.9
445.20633	0.3
446.21457	0.3
447.17905	1.5
447.22266	1.6
448.18872	1.2
448.23428	0.6
449.19183	1.4
451.21680	0.3
460.22751	0.3
461.19818	1.6
462.20465	4.8
463.21323	3.5
464.21701	0.3
465.23093	0.4
475.21436	1.8
476.22052	1.0
477.22787	1.6
478.23837	0.5
479.21027	0.9
489.23056	1.2
490.24374	0.2
493.21368	1.1
494.23645	0.3
495.23877	0.7
505.22552	0.3
506.23541	0.3
507.20453	0.8
507.24014	0.3
508.24744	1.8
509.25558	1.7
517.22656	0.3
521.25677	12.0
522.26300	0.3
523.26837	0.3
531.24115	0.3
535.26270	0.6
540.27570	0.4
547.26501	0.3
549.25006	15.9
550.25232	0.7
553.24011	1.1
563.26672	3.7
564.27319	0.6
567.26099	0.3
577.24347	0.7
580.25903	0.4
581.27612	2.9
591.25897	0.3
595.29376	10.1
596.29907	0.4
607.29608	0.2
609.27100	11.6
610.28094	0.3
613.27014	0.2
623.28516	1.8
627.31494	0.3
655.31281	100.0
656.31720	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	655.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.5
57.03442	3.7
57.07080	33.2
59.33252	0.5
61.02930	8.5
67.05508	8.7
69.03423	1.2
69.06729	0.6
69.07072	6.3
71.08635	30.4
71.25649	1.1
73.02918	3.3
75.04475	2.4
79.05489	1.1
81.07060	14.8
83.08621	11.7
85.02914	10.5
85.10184	16.1
89.06020	1.2
91.03967	9.1
91.05489	0.6
93.07058	1.2
95.08612	21.7
97.02895	4.8
97.10172	4.6
99.04460	1.0
99.11725	1.0
101.05962	0.5
103.03952	0.6
105.07062	0.7
109.02866	0.8
109.10171	11.1
111.11761	1.1
123.11707	4.4
125.13275	0.6
127.03928	3.3
131.83067	0.5
136.84946	0.5
137.13252	1.8
145.04977	5.1
151.14914	0.8
163.06036	6.3
165.16313	0.8
199.88049	0.5
204.34569	0.5
221.22592	1.2
225.16406	0.6
239.23701	25.8
243.98907	0.6
257.24774	4.0
261.80835	0.7
277.21292	0.6
313.27380	100.0
314.27606	1.3
331.28455	18.9
443.34100	0.5
475.21713	1.0
475.32513	2.8
489.22879	0.7
502.20132	0.6
548.23511	0.8
549.24939	0.8
562.21729	1.2
577.24500	7.0
637.26819	2.7
637.35828	0.7
655.27759	4.7
655.38000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.3
55.01875	3.7
55.05277	1.9
55.05520	18.8
57.03439	14.7
57.07079	49.9
59.09571	1.3
65.03947	2.8
67.05510	61.3
69.03443	1.8
69.07075	62.3
71.04998	21.2
71.08243	1.9
71.08638	37.1
71.16991	2.1
73.02914	4.8
79.05498	44.3
81.03440	9.8
81.07065	60.2
83.04992	13.1
83.08623	21.3
85.06534	2.9
85.10191	21.5
89.06059	1.7
91.05485	34.0
93.07052	42.1
95.04996	11.7
95.08617	48.8
97.06539	100.0
97.10154	8.2
99.08109	4.9
105.04548	1.8
105.07037	22.7
107.04943	5.5
107.08598	19.8
109.06535	10.8
109.10173	20.3
111.08079	6.2
111.11766	2.1
115.05447	2.3
115.07575	41.9
117.07022	15.2
119.08568	16.5
121.06520	6.2
121.10131	8.3
123.08070	4.9
123.11726	7.6
127.07570	1.6
129.07001	7.4
131.08571	18.2
133.06468	3.2
133.10130	15.4
135.08060	8.0
135.11708	6.9
137.09624	3.0
137.13290	2.7
143.08565	5.4
145.10162	10.3
147.08069	4.0
147.11679	3.6
149.09644	6.2
149.13255	7.7
151.11206	2.3
157.10133	6.0
159.11711	13.3
161.09628	5.3
163.11102	1.6
169.10097	2.2
171.11685	3.0
173.13289	2.3
175.11185	3.6
175.81424	1.4
177.12703	5.8
185.09622	1.5
185.13258	3.8
187.11159	1.7
195.11739	1.7
195.13832	5.1
199.14822	2.6
213.12778	2.0
213.14757	2.0
217.15906	11.6
219.13846	1.5
221.15459	2.2
227.17920	3.9
233.15356	2.4
237.16367	2.3
239.23703	3.8
245.19119	6.6
247.17090	2.0
251.16504	3.3
253.14360	8.7
255.17628	4.2
269.17480	10.9
273.18509	28.5
279.16058	2.3
291.19571	17.9
297.17075	3.2
307.19333	3.2
313.27380	80.9
319.22736	2.4
341.26849	9.9
347.22223	9.0
365.23233	12.5
369.30011	2.3
383.24271	2.4
383.31644	2.0
493.39178	2.6
507.40497	77.2
508.40811	2.3
509.38593	1.9
533.42065	2.0
535.39880	5.2
585.45264	4.3
603.46411	14.5
621.47015	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	657.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
67.05518	0.7
69.07131	0.4
70.56669	0.7
70.57040	0.7
74.40888	0.3
74.85888	0.3
74.99813	0.4
81.07077	0.6
93.07055	0.4
95.08620	0.6
105.07043	0.6
107.08635	0.6
109.10217	0.5
125.04781	0.4
129.06947	0.4
160.18721	0.3
211.14882	0.4
266.80722	0.3
275.19754	0.4
314.30634	0.4
365.22903	0.4
385.14594	0.6
397.13266	0.5
398.13907	1.4
399.14743	0.5
400.16528	2.9
403.15057	0.4
411.14841	0.7
412.15329	2.4
413.16443	0.6
416.15176	0.8
418.17590	1.0
424.15408	0.5
425.16562	0.8
426.17346	1.8
427.17743	7.1
428.15912	3.5
430.16446	0.7
437.16174	0.5
440.14996	1.0
444.14340	0.8
446.17105	1.7
455.10709	0.8
455.17136	13.5
456.17938	0.7
457.15140	0.7
458.16168	1.3
459.16714	2.5
467.13052	0.4
468.18466	0.4
469.19162	0.5
473.18118	0.5
482.15784	1.0
483.16733	19.3
484.17026	0.8
487.16125	3.9
495.17078	0.5
497.11032	0.5
499.15970	3.2
500.17108	0.7
509.18259	0.5
511.16129	1.6
512.13086	1.0
513.17761	0.7
519.16675	0.6
523.16162	2.1
527.15656	34.1
528.15930	1.0
537.17780	2.0
538.18457	1.7
542.22253	0.7
555.19214	0.6
568.18518	0.7
569.20416	1.5
570.20886	0.6
579.18622	0.6
586.20251	1.9
613.23157	0.6
614.20142	1.3
629.22467	24.2
630.22455	1.0
639.28485	0.4
657.21899	100.0
658.22052	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	657.248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10069	2.0
67.05492	2.8
71.08643	1.8
71.53388	3.4
78.78930	1.5
79.05489	2.1
81.07064	2.7
82.59872	1.5
95.08604	2.1
112.09409	1.5
129.39633	2.0
269.36887	1.8
313.27249	2.2
319.64658	1.9
404.96146	1.7
427.19263	4.1
434.12320	2.2
440.19928	1.9
441.18396	2.5
449.15393	3.6
455.19940	1.9
473.19516	2.0
478.19165	2.1
483.21823	2.8
492.20865	4.5
493.18005	7.5
505.18246	1.9
506.18561	2.0
515.24103	2.2
519.19745	11.3
520.16351	2.0
537.20288	4.9
547.18762	2.5
551.21674	5.3
569.22858	2.5
571.24335	2.3
579.21667	40.7
607.21057	13.4
639.23724	100.0
640.23352	3.0
657.24646	40.1
687.92615	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	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76825	0.6
60.05643	1.8
61.05330	0.7
63.52826	0.5
67.05508	0.8
71.23720	0.9
81.07043	0.7
84.13036	0.6
95.72820	0.6
120.08148	0.9
132.08167	0.7
142.24603	0.6
144.08054	1.0
148.11363	0.6
164.10818	0.8
197.10869	0.8
198.11758	0.6
201.10310	0.8
207.09085	0.7
209.10751	1.4
221.10931	0.7
222.11510	0.7
223.12312	0.6
233.10773	1.0
235.12309	1.7
237.13931	1.4
239.11826	0.5
247.12366	1.4
249.13869	1.1
251.15620	0.7
258.11249	0.7
259.12466	0.7
261.13834	1.8
271.12347	0.8
273.13834	1.7
274.03824	0.6
274.13547	0.9
275.15442	1.1
276.15372	0.7
285.13470	0.6
287.15411	1.4
288.16183	1.2
289.16513	0.8
290.13052	0.6
298.13846	0.6
302.13089	0.7
302.16553	1.4
304.14557	1.2
314.16656	0.6
316.14716	1.0
318.16116	1.4
323.14896	0.8
326.16367	0.9
330.16119	0.7
331.16794	0.9
332.17838	0.6
337.15765	0.8
338.16516	1.3
340.18185	1.4
350.16919	1.3
352.18134	1.1
354.19812	1.0
356.17593	0.6
362.16177	1.1
363.16309	1.9
364.17728	1.6
365.18008	1.4
366.19022	1.9
375.16556	1.6
376.17337	1.3
377.17648	2.7
378.19055	2.2
379.19440	4.5
380.20425	1.2
381.20810	2.0
382.19141	0.6
388.18430	0.6
389.18057	1.7
390.14764	0.8
390.19577	1.2
391.19623	3.4
392.20630	3.1
393.17090	2.2
393.21582	3.2
394.17834	1.6
395.18130	1.0
395.22690	1.1
400.20367	1.0
405.21460	3.6
406.22339	1.1
407.18622	3.2
407.22556	3.2
408.19315	4.5
409.20270	5.3
410.19055	0.8
411.19122	0.8
417.17285	1.0
419.18655	2.1
419.23236	0.9
420.19580	1.4
421.19772	7.0
421.24918	1.4
422.21426	4.3
423.21860	17.3
424.22748	0.8
430.18613	0.7
431.18448	0.8
432.19568	1.0
433.20206	2.0
434.21045	1.8
435.22055	7.8
436.23148	3.4
437.23907	4.0
438.20529	0.9
442.21222	1.5
446.21130	2.5
447.21823	2.3
448.19333	1.0
449.18573	0.9
449.23373	2.9
450.20587	2.2
450.24774	0.7
451.20645	4.5
452.22519	1.4
453.23135	1.2
454.20050	4.6
456.23111	1.7
461.23593	6.7
462.20572	3.2
463.21646	4.4
464.23035	1.0
465.23239	4.8
466.22632	2.0
467.24878	5.0
468.25381	3.2
469.26138	0.8
475.21899	0.9
476.22150	1.8
477.23215	6.3
478.24310	2.7
479.25339	5.7
480.21341	0.7
481.22382	2.6
482.23322	1.0
489.45294	0.6
491.20932	2.1
493.21365	6.4
494.27673	4.3
495.23721	13.9
496.24872	3.9
505.23041	1.4
506.23169	1.1
507.23785	1.9
508.24817	15.0
509.25897	11.2
510.26480	11.4
511.27344	12.5
519.23920	2.2
521.25702	5.2
522.26898	2.8
523.23358	4.5
525.28644	1.0
526.28809	1.6
537.25079	17.2
538.25769	8.3
539.26514	1.5
549.25037	1.1
549.75134	0.6
551.22998	2.2
553.28448	6.6
555.26044	2.4
565.24298	4.6
566.24921	0.7
570.28186	4.0
581.27594	17.2
582.25494	1.1
583.25397	5.1
595.29126	0.9
596.27747	1.3
597.27148	43.3
598.27802	5.9
607.25323	1.2
613.30249	71.4
614.30609	2.1
625.26581	100.0
626.26477	2.7
639.27643	1.1
657.29242	8.1
657.51141	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82465	0.9
56.24657	0.9
69.20016	6.9
69.20417	1.9
158.09627	1.2
172.92738	0.9
209.10762	1.4
223.12329	1.3
233.10805	1.0
235.12407	2.2
245.10924	0.9
247.12360	2.3
249.13959	2.2
251.15573	1.1
261.13849	1.5
264.14966	1.2
273.13858	2.1
286.13635	1.1
287.15292	1.6
288.15176	1.3
302.16724	1.5
314.47519	1.0
326.16336	1.6
330.16345	1.1
338.16641	2.1
340.18134	1.3
342.69406	1.0
348.14954	1.3
349.15402	1.2
350.16873	1.1
351.16721	1.1
352.18073	1.2
353.18521	1.1
354.15753	1.1
354.19617	1.7
358.18979	1.0
363.16537	1.7
364.17355	1.8
365.17963	1.5
366.19357	2.6
375.16290	1.8
376.17578	1.7
377.17905	3.0
378.19489	1.6
378.87592	1.0
379.19443	5.6
381.20816	1.8
391.19531	4.6
392.20352	2.0
393.16891	2.9
393.20868	3.0
395.18207	1.3
405.16312	1.4
405.20679	3.5
406.21628	1.3
407.17816	4.6
407.22888	2.4
408.19547	3.6
409.19904	5.8
410.18475	1.3
419.18524	2.9
419.23074	1.2
421.19656	6.0
422.21182	5.5
423.21851	19.6
426.21936	1.1
431.18655	1.8
433.20245	1.6
434.21097	1.8
435.22232	7.2
436.22363	3.9
437.23346	3.6
442.21393	1.5
446.20782	1.4
447.22021	2.1
449.23206	3.5
450.24338	1.8
451.21039	5.0
452.21628	1.3
453.22714	1.9
454.19958	3.6
456.22650	1.7
460.22925	1.2
461.23834	7.1
462.20932	3.1
463.21259	3.3
464.22491	1.6
465.22867	3.8
466.21445	1.5
467.24393	3.4
468.25204	2.0
476.21335	1.6
477.23151	5.1
478.23575	2.1
479.24142	4.7
480.22198	1.5
481.22321	2.7
493.21378	7.1
494.27121	4.6
495.23856	14.2
496.24585	5.2
497.25531	1.1
499.30234	1.0
508.24789	11.9
509.25854	11.1
510.26416	10.4
511.27203	16.0
516.24841	1.1
519.23737	2.2
521.25909	6.0
522.25677	3.5
523.23389	3.6
525.28290	1.4
526.28754	1.5
537.25165	16.5
538.25873	9.3
551.22913	2.1
553.28552	8.1
555.25378	2.6
565.24622	3.1
566.25244	2.7
570.28204	2.8
581.19537	1.2
581.27698	18.5
583.25427	5.3
596.27722	1.2
597.27142	39.7
598.27820	5.3
598.90070	1.1
613.30267	73.4
614.30615	1.8
625.26605	100.0
626.26141	3.2
657.29016	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	658.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.05499	0.2
57.03447	1.3
63.02384	0.4
69.03432	1.4
69.67877	0.5
69.68282	0.9
71.05000	8.4
75.04480	0.3
77.03946	0.3
79.05479	0.9
81.03408	0.9
83.04983	0.8
85.02915	8.4
89.03911	2.3
91.05508	0.3
97.02902	3.9
99.04453	0.6
107.04962	3.2
109.02864	0.4
111.04433	0.9
117.03409	3.3
119.04983	0.2
123.04439	0.5
127.03928	0.7
129.05492	2.5
135.04431	10.7
137.06050	0.3
145.02853	8.8
147.04382	0.3
147.06526	1.1
153.05472	2.4
163.03912	100.0
164.04237	0.7
165.05534	0.3
177.05472	0.4
181.04988	1.6
218.03587	0.2
219.06433	0.4
262.52429	0.3
291.08591	0.5
307.08255	0.6
309.09686	1.3
325.09186	14.8
459.12173	0.3
471.15482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
56.05019	0.4
57.07076	6.8
58.06602	2.2
59.82133	0.3
65.03915	1.0
68.78239	0.3
69.07030	0.7
69.43217	1.7
69.43620	0.4
70.06596	16.9
71.08635	2.3
72.08126	0.4
74.06055	0.5
84.08112	0.4
85.10165	0.5
85.87371	0.3
88.07635	21.2
91.05460	0.3
102.09186	16.0
121.02856	0.4
131.04874	1.0
133.02837	0.4
147.04364	0.4
149.02351	34.6
149.03406	1.3
175.03885	0.8
177.05437	1.1
193.04973	45.3
212.23795	0.8
219.06522	1.1
223.63927	0.3
225.05408	0.9
237.07579	10.8
244.44695	0.4
256.26358	43.7
257.26593	0.5
267.60101	0.3
269.04504	1.4
287.41669	0.4
297.03973	2.2
300.28906	0.8
313.07111	2.0
341.06555	10.0
343.08298	0.6
359.07639	5.8
385.09183	18.7
403.10239	0.8
429.11813	23.8
448.67279	0.3
640.34955	0.6
658.35895	100.0
659.36194	2.7
682.04565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
55.05511	17.3
57.03442	14.5
57.07079	37.5
67.05510	71.1
69.07066	23.0
71.05004	4.8
71.08633	24.6
78.01578	1.7
79.05505	24.9
79.20081	1.6
81.07062	51.6
83.04972	2.6
83.08620	18.5
85.06538	3.9
85.10182	16.0
89.06042	12.2
91.05487	19.3
93.07040	21.8
95.04984	3.2
95.08607	35.1
95.09178	3.0
97.06525	6.1
97.10154	12.5
105.07036	17.8
107.04945	3.5
107.08590	22.0
109.10158	47.9
111.08076	2.6
117.07026	7.5
119.08595	22.9
121.10117	7.2
123.08018	2.7
123.11700	5.3
125.09638	8.4
129.06978	2.5
131.08553	8.9
133.08582	6.0
133.10110	11.6
135.08069	2.8
135.11708	5.5
137.09650	5.3
145.10106	9.5
147.08069	5.9
147.11722	6.1
149.09631	5.8
149.13286	5.6
155.08452	2.2
155.10657	2.1
157.10132	3.8
159.08081	6.6
159.11703	6.6
161.09636	2.7
161.13303	2.5
163.11211	3.6
165.09377	2.2
173.11806	13.4
179.14368	2.3
189.11314	3.7
224.30383	1.9
227.12798	17.4
229.14351	59.4
229.16614	3.6
229.19374	4.0
239.23677	3.0
257.19119	4.9
257.24945	2.1
269.17499	19.9
275.20099	22.5
289.18066	6.7
289.25168	1.8
293.21155	5.6
313.27383	100.0
335.25836	9.4
349.23770	19.6
363.21735	2.3
367.24866	14.7
467.37366	39.5
491.40710	2.4
507.40381	32.2
587.46625	21.4
605.47943	14.3
623.42877	7.5
658.43164	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	659.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18866	1.6
56.96573	15.4
57.55085	1.9
66.22846	1.7
69.03430	2.4
69.23196	2.9
69.23597	14.2
84.96046	3.6
85.02894	8.3
97.02899	3.9
98.97582	36.5
99.04456	2.4
105.00182	6.9
107.60073	1.9
110.97591	7.8
116.98635	13.8
119.01951	5.0
123.01195	4.9
127.03925	3.5
128.98628	6.7
131.00211	2.3
131.01860	2.3
134.99741	2.9
140.98630	2.3
141.02354	2.9
143.00122	2.0
143.01907	6.4
146.99672	3.2
153.02283	6.2
155.01872	2.3
158.99673	38.8
161.03035	2.7
163.03876	2.8
169.01785	4.3
170.99632	11.4
173.01239	2.1
173.02953	2.2
177.00748	22.8
177.02226	3.4
179.00064	9.8
179.03893	2.8
182.03322	2.0
185.01245	3.4
189.00774	10.7
191.03981	2.7
193.00255	2.4
195.03310	2.5
195.04951	2.6
197.01239	55.0
197.03014	3.7
197.04884	8.4
197.06474	2.2
199.04469	2.7
200.04431	3.3
201.00739	4.1
203.02258	6.4
203.04044	2.8
205.01801	2.1
207.01715	2.3
215.02283	51.6
215.05841	5.3
219.01765	30.8
221.03305	2.0
223.02676	16.0
223.04655	3.0
224.04604	2.0
225.06062	5.0
231.01727	3.2
237.02699	10.1
239.02255	33.5
241.03813	89.4
245.04993	2.6
249.02818	7.3
257.03259	11.0
259.04895	61.4
261.02826	5.0
267.07193	10.0
272.06580	3.5
277.06030	2.4
279.00647	1.7
279.03897	44.1
279.07034	3.1
281.07150	5.4
283.04904	42.4
285.08218	7.2
291.03729	3.2
297.08334	2.5
301.05936	22.0
309.04889	18.3
311.06088	2.2
313.05948	16.3
319.07242	2.6
331.07053	7.0
339.06143	9.0
343.06894	22.2
353.09277	4.1
359.06604	5.3
361.08063	4.6
362.09747	6.8
367.63824	1.8
373.07861	3.4
387.11682	2.4
399.07727	8.8
403.09079	100.0
421.10367	4.6
431.10464	10.8
447.19022	1.8
583.18219	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	659.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32451	4.9
70.06597	6.2
71.43412	6.5
98.97549	7.0
100.57117	4.8
112.07635	5.1
132.10762	4.8
137.05986	5.9
181.04964	7.6
187.23599	5.2
207.43562	4.9
215.52965	5.0
378.43683	4.6
392.55170	4.7
410.76410	5.3
414.09845	7.0
440.55048	5.0
475.82364	5.8
554.21381	5.8
599.71985	5.3
615.18390	25.0
627.24628	5.4
659.17383	100.0
659.27960	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	659.2349
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
69.79471	0.7
69.79892	0.9
72.42408	0.3
86.08292	0.3
91.05385	0.4
93.06921	0.3
105.06933	0.4
131.08589	0.3
134.19302	0.3
143.89989	0.3
199.07375	0.3
200.92873	0.3
313.27274	0.4
329.17480	0.4
337.01221	0.4
385.13025	1.7
386.13687	0.6
396.13354	0.5
399.14713	2.3
400.15460	4.2
401.15894	0.4
408.12222	0.7
409.13126	0.6
410.14407	1.4
411.14798	0.9
412.15268	0.4
413.16138	1.9
414.17148	2.6
421.13031	2.0
422.13858	4.5
423.14590	4.6
424.15640	1.8
425.16205	0.7
427.13452	0.5
427.18298	0.7
428.17804	1.2
429.19547	2.6
434.13928	0.4
435.14673	3.7
436.15451	6.0
437.16260	10.3
438.17294	2.2
439.17676	1.1
440.14880	0.7
441.14954	1.6
442.16260	0.6
443.17145	0.6
449.15970	1.4
450.17703	2.9
451.18387	5.4
452.19147	3.6
453.15884	0.7
454.17331	0.5
455.17944	1.8
456.17697	1.0
457.17880	0.6
463.13986	1.3
464.14349	3.0
465.14420	3.8
465.19949	1.5
466.15515	0.9
466.20685	0.6
467.17270	3.1
469.14328	2.0
470.15964	1.1
477.15570	1.3
478.16641	3.0
479.17682	3.9
480.18143	5.0
481.14682	1.2
481.19205	1.0
482.15472	1.8
483.16623	3.0
484.17087	2.5
491.13910	0.5
492.17877	1.0
493.19128	9.6
494.15735	2.8
494.19843	1.2
495.16321	5.4
496.17294	2.5
498.15387	3.2
506.16150	1.5
507.16885	2.8
508.17447	6.1
509.18182	5.4
510.14938	0.9
511.19476	2.2
512.16766	6.4
513.17682	0.4
515.19244	0.5
516.23480	1.6
521.18262	12.5
522.15656	3.7
523.14777	0.4
524.17096	1.4
525.16083	0.6
525.21735	1.1
526.14136	1.5
537.17871	0.6
538.18640	1.0
539.19202	2.3
540.19934	2.1
543.22473	2.0
549.17859	1.2
552.19501	0.5
553.20850	15.5
554.20154	0.7
563.18945	0.4
571.21954	1.9
572.22217	2.3
581.20331	48.4
582.20300	2.0
585.23962	0.5
594.23499	0.5
599.21191	11.6
600.21326	2.1
609.19641	0.9
613.22974	15.2
614.22876	0.5
622.23004	3.7
627.20789	0.7
631.24048	4.2
641.22449	100.0
642.22595	3.1
659.23419	25.2
660.23578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2352
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.05526	0.5
62.55289	0.4
64.03800	0.4
65.83465	0.4
66.08282	0.4
67.05502	1.2
70.30191	1.1
71.08612	0.5
75.50228	0.4
79.05511	0.5
79.68504	0.4
81.07056	1.0
83.08612	0.5
91.05486	1.0
93.07092	0.5
95.08606	0.7
105.07035	0.5
107.40755	0.4
109.10177	0.5
121.82437	0.4
133.10033	0.5
142.05934	0.4
154.55653	0.4
167.33908	0.4
199.07474	0.6
223.11052	0.5
311.16391	0.5
329.17706	0.5
385.13171	1.1
398.14063	1.0
399.14731	2.5
400.15268	5.5
401.16006	0.8
408.12390	0.7
410.14484	0.8
411.14890	1.2
412.15396	2.0
413.16223	3.5
414.17017	3.6
415.48984	0.5
416.15524	0.5
421.13171	1.5
422.13770	3.7
423.14786	4.2
424.15927	1.9
425.16272	1.3
426.17224	1.0
427.18533	2.1
428.18616	2.2
429.19644	2.8
435.14560	2.7
436.15613	3.8
437.16388	7.9
438.17392	2.2
439.18448	0.5
441.15112	2.8
442.16113	2.1
443.16928	0.8
449.16357	1.5
450.17947	2.4
451.18475	4.6
452.18597	1.9
453.15634	0.9
454.16489	0.6
455.17346	2.7
456.18134	1.7
459.16336	0.5
463.14108	1.2
464.14621	2.8
465.15579	3.0
465.20093	1.6
466.16565	0.5
466.21133	0.7
467.17493	1.4
468.18283	0.7
469.14169	2.8
470.15616	0.6
472.17758	0.6
472.32611	0.5
476.14783	0.7
477.15887	0.7
478.16751	2.5
479.18381	2.7
480.18198	2.9
481.14246	2.7
482.15820	1.3
483.16620	5.5
484.17093	3.4
487.16153	0.5
491.13562	0.6
492.14200	0.5
493.19263	7.4
494.16031	2.1
494.19650	1.7
495.16510	5.6
496.17133	1.3
497.14252	0.7
497.18539	0.8
498.15497	1.5
506.16367	1.3
507.16565	3.1
508.17419	5.5
509.18826	3.3
510.15146	0.6
510.19547	0.8
511.16486	4.5
512.16840	7.8
513.17462	0.7
516.23804	1.2
521.18353	10.7
522.16052	4.0
523.19836	0.9
524.17053	0.9
525.18298	2.0
526.15131	0.9
533.18915	0.6
535.16089	3.2
536.17902	0.7
537.17377	0.5
538.18652	1.3
539.19305	8.3
540.16400	4.7
541.17639	0.7
543.22375	2.9
544.23291	0.7
549.17731	1.5
551.19318	4.7
553.21539	10.1
554.17761	0.5
567.18634	1.1
571.21985	7.6
572.22144	3.0
581.20398	42.7
582.20264	0.7
585.23730	1.6
595.18372	2.7
599.21216	16.9
600.21741	3.4
609.19946	1.7
613.23041	23.2
622.23090	2.3
627.20880	15.4
630.24280	0.5
631.24316	4.3
641.22491	100.0
642.22546	4.1
659.23456	25.9
660.24066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16693	1.6
53.03946	6.8
54.58961	1.3
55.01871	4.6
55.05523	13.2
57.03189	2.5
57.03441	23.2
57.07074	3.5
58.10328	1.3
59.04995	1.4
61.02932	89.3
61.14590	1.3
65.03944	3.2
67.05511	47.3
69.03438	33.5
69.07068	10.5
69.26476	1.5
69.35199	11.7
70.06587	3.2
70.71670	1.4
71.01366	3.8
71.04993	8.3
73.02923	30.7
75.04471	1.4
79.05495	35.0
81.03426	29.3
81.06589	3.3
81.07059	51.6
83.04984	6.1
83.08624	6.2
85.02910	96.2
85.06544	1.8
87.04459	6.1
88.07637	4.6
91.03960	56.6
91.05480	18.1
93.07048	39.2
95.04967	5.1
95.08609	41.2
97.02898	77.1
97.06528	2.8
97.10178	3.4
99.04475	15.4
101.02383	8.9
102.09155	1.9
103.03940	12.7
105.07040	14.4
107.04946	1.8
107.08605	21.5
109.02882	13.1
109.06548	3.6
109.10166	18.4
111.04452	3.0
111.08150	2.5
113.09637	1.8
115.03956	6.3
117.05514	2.8
117.07001	6.8
119.08596	12.6
121.10155	20.5
123.08128	1.5
123.11723	8.4
125.09660	1.3
127.03930	34.1
127.42473	1.5
129.05507	5.8
129.06967	1.9
131.08585	11.2
133.06468	1.6
133.10126	10.9
135.08070	1.8
135.11710	13.4
137.05989	2.7
137.13261	2.9
139.11276	2.0
143.08614	2.7
145.04973	23.5
145.10139	7.6
147.11713	8.5
149.02357	4.9
149.13264	6.5
157.10120	2.7
159.06648	2.8
159.11699	10.3
161.13205	7.9
163.06027	5.7
163.11185	2.2
163.14874	5.5
169.10165	1.9
171.06613	2.3
171.11763	2.1
173.13235	9.5
175.14873	2.9
183.06551	13.0
185.13271	2.4
187.14861	4.7
193.04932	7.3
194.05394	2.6
199.11137	1.7
201.07588	12.3
201.16486	2.1
205.15903	1.9
219.08572	2.2
237.07690	1.9
241.19577	2.4
243.20993	8.3
256.26334	4.6
257.26691	4.1
259.20605	4.0
261.22162	26.3
273.21979	3.1
279.23297	1.7
303.23413	1.9
315.23322	2.5
317.24695	2.0
323.23715	1.6
333.24216	2.2
335.25815	100.0
341.24680	1.9
363.25214	4.2
369.24277	4.7
377.26862	3.2
387.25235	2.4
429.11581	2.0
430.12128	3.9
443.27835	4.3
461.29037	4.8
479.30103	12.0
497.31116	4.3
641.28680	1.7
659.26251	1.8
659.36389	31.2
666.13171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46550	1.3
55.01881	3.4
55.05510	16.4
57.03437	6.3
57.07080	29.1
67.05505	16.9
69.03413	1.8
69.07072	11.9
71.08643	21.8
71.52706	1.9
71.53104	2.7
73.77770	1.5
76.13992	1.7
79.05495	6.5
79.62701	1.4
80.20501	1.6
81.07061	22.8
83.08627	10.9
85.06542	1.8
85.10191	10.8
89.06004	2.0
91.05482	7.4
93.07051	5.5
95.08618	26.3
97.06545	3.7
97.10168	7.6
103.07436	1.9
105.07040	5.3
107.08607	5.9
109.06570	2.1
109.10160	7.5
117.07017	1.8
119.08623	3.4
121.10053	2.4
123.08051	2.2
123.11712	3.4
125.09633	3.3
128.06276	2.3
129.07047	3.4
131.08611	3.6
133.10164	3.4
134.31084	1.6
141.07033	14.4
143.08604	7.9
145.06497	1.8
145.10185	2.2
147.11736	2.0
152.06189	3.8
153.06985	6.7
154.07755	2.1
155.08574	17.1
157.06532	3.1
157.10150	2.0
158.67310	1.7
159.08168	2.2
165.07002	4.6
167.08551	10.3
169.06508	10.2
169.10065	4.6
171.08034	19.4
173.06065	4.8
175.07439	1.9
179.08575	4.9
181.06499	40.8
181.10062	7.6
183.08066	35.8
185.05965	2.9
185.09630	3.6
186.06746	2.1
187.07602	4.1
191.07018	2.9
191.08569	4.6
193.10170	2.4
195.08031	10.8
195.11693	3.6
197.06053	2.7
197.09659	7.3
198.06786	2.1
199.07549	100.0
201.09129	11.0
205.10130	4.9
207.08072	10.7
208.08809	2.1
209.09628	20.0
209.11450	2.5
211.07498	2.3
211.11209	3.4
213.09151	8.4
219.08029	2.1
219.11577	2.1
221.09618	6.4
222.10320	2.2
223.11266	5.8
225.09140	6.3
227.10735	3.9
233.09634	4.4
237.09157	4.9
237.12817	2.6
237.16321	7.6
237.37711	1.8
239.23712	4.6
241.12373	2.4
247.14931	2.9
249.13077	2.1
253.15707	1.9
257.24683	2.1
265.15924	16.1
275.14319	15.9
283.16904	11.5
293.15353	26.9
301.18408	2.7
311.16434	59.5
313.27377	81.1
323.16507	2.4
329.17514	42.9
337.17899	4.7
339.19888	2.0
349.18060	10.0
355.19000	3.8
367.19098	14.3
385.20120	38.7
403.21115	21.5
485.16934	3.1
529.15869	3.6
567.18402	3.3
575.65540	1.8
623.42871	6.5
627.20557	6.9
631.23059	3.0
641.22162	2.2
641.44037	26.9
659.22626	11.9
659.44641	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	660.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21583	0.3
62.18120	0.3
68.05033	0.5
70.06599	100.0
71.51865	0.5
81.03435	1.2
85.02869	0.3
97.02898	0.8
99.04374	0.3
103.05521	0.4
109.02895	4.6
112.07619	89.0
113.07952	0.6
116.07109	2.1
126.09192	0.4
127.01804	0.3
127.03882	0.4
132.91650	0.3
137.05975	1.9
140.07080	59.0
158.08151	8.8
175.07556	0.4
212.09230	0.4
230.10327	1.0
242.10237	0.3
266.10278	4.1
284.11316	10.8
289.03400	0.4
290.04010	0.5
302.12421	2.1
519.75000	0.3
660.17645	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
54.23874	0.6
55.01882	3.9
55.05279	0.8
55.05516	11.3
57.03205	1.0
57.03444	11.0
57.07060	1.0
59.04999	1.5
61.02946	3.8
63.11987	0.6
65.03914	1.0
66.01273	0.6
66.02867	0.6
67.05511	23.6
69.03420	2.2
69.07075	8.4
70.09919	2.7
71.01344	2.7
71.04996	3.7
73.02904	1.6
79.05502	26.6
81.03426	8.0
81.07063	17.5
83.01373	3.9
83.04993	9.5
83.08625	5.9
85.02920	5.8
85.06523	2.2
86.04898	0.6
91.03959	1.1
91.05484	11.6
93.07050	33.8
95.04980	4.4
95.08620	6.1
97.02890	2.3
97.06536	7.9
97.10173	7.5
99.04446	1.4
99.08074	1.5
105.07049	5.5
107.04967	5.2
107.08605	21.6
109.06525	4.0
109.10156	3.1
111.04433	1.7
111.08064	2.8
115.05394	0.7
117.07018	5.8
119.08598	6.6
121.06473	2.3
121.10153	8.4
123.08086	4.2
125.09658	1.5
130.07767	1.4
131.08549	1.6
133.10106	2.0
135.08112	1.5
135.11703	30.6
137.09596	1.4
143.08620	0.7
145.10133	12.3
147.08026	1.5
149.13202	0.6
153.12730	2.6
154.46660	0.8
163.03900	0.8
163.11192	16.3
173.09602	2.3
180.65157	0.7
181.12224	7.6
184.07468	0.7
191.10678	2.0
199.13338	0.7
201.21045	0.7
209.11816	3.1
212.75476	0.7
227.12799	2.3
255.15932	57.2
265.14374	2.0
269.17535	1.4
283.15427	34.5
288.86975	0.7
445.25565	4.6
463.26837	100.0
464.27396	1.4
618.39844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54827	0.3
53.03920	1.1
55.01849	0.8
55.05511	3.7
57.03443	5.3
57.07079	2.1
58.06593	0.4
61.02889	1.0
64.01807	0.3
65.03940	0.4
67.05508	24.8
69.07068	8.7
70.06593	2.8
70.42642	0.3
71.04988	2.5
71.47040	0.3
73.02885	0.7
79.05492	13.0
81.03388	1.4
81.07058	34.7
83.04989	3.1
83.08622	7.3
85.02868	1.3
85.06550	2.0
88.07653	2.3
89.07932	1.1
90.08102	0.3
91.03920	0.5
91.05486	7.2
93.07046	26.4
95.04971	2.1
95.08607	8.6
97.02853	0.8
97.06533	5.1
97.10131	1.2
99.08056	1.8
102.09166	2.1
103.09485	0.5
105.07043	3.0
107.08593	16.3
109.06490	0.7
109.10130	1.5
111.07521	0.3
111.08087	3.4
111.11782	0.3
117.07021	3.8
119.08534	0.8
121.06515	0.5
121.10144	10.1
123.11658	1.0
125.09646	0.4
131.08577	4.3
133.09442	0.3
133.10138	3.0
135.08057	0.9
135.11688	4.4
139.07530	0.5
139.11209	0.7
139.92093	0.3
145.10100	0.4
147.11678	0.8
149.02351	3.9
149.09584	0.4
149.13258	18.7
150.02698	2.1
151.02853	0.3
151.11040	0.5
159.10469	0.6
159.11693	7.4
167.14301	0.4
177.12738	3.3
179.19301	0.4
191.38399	0.3
193.04968	5.3
194.05281	2.2
195.05524	1.0
195.13820	6.0
213.14877	0.7
237.07629	1.1
238.07915	1.0
239.08154	0.4
243.41635	0.3
250.26460	0.3
256.26364	3.4
257.26743	3.1
258.27002	1.2
269.17484	53.9
270.17923	0.6
342.06836	0.8
343.07245	0.7
360.07794	0.5
385.09229	0.5
386.09537	1.3
387.09750	2.0
429.11874	0.7
430.12180	2.3
431.12433	2.4
445.29224	0.4
463.30554	100.0
464.30972	2.0
660.36493	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	660.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01869	1.1
55.05510	6.2
57.03435	4.7
57.07079	0.7
60.17602	0.6
61.02928	4.2
65.03929	1.0
66.41550	0.6
67.05508	29.2
69.03454	1.6
69.07072	9.0
71.04994	1.9
71.06155	1.0
71.06494	1.5
73.02909	1.4
79.05498	16.0
81.03423	3.3
81.07057	35.3
83.04986	2.7
83.08627	8.4
84.05285	0.6
85.02924	3.4
85.06539	2.7
91.03987	1.0
91.05485	13.9
93.07046	24.4
95.04968	3.5
95.08611	11.8
97.02910	2.1
97.05959	1.1
97.06514	4.8
99.08076	2.0
105.07034	7.1
107.04949	0.9
107.08592	15.3
109.06548	1.4
109.10165	4.1
111.08094	2.0
113.05953	0.9
117.07015	6.6
119.08610	4.0
121.06545	1.2
121.10139	8.6
123.08078	1.2
123.11737	1.8
127.03884	0.7
129.07008	2.3
131.08582	7.1
133.10136	9.3
135.08014	1.7
135.11681	5.4
141.06973	0.8
143.08583	2.8
145.10129	2.3
147.11703	2.0
149.09671	0.8
149.13252	10.7
151.11235	1.7
157.10153	1.6
159.11664	5.2
163.11188	0.7
169.10118	0.8
171.11665	1.7
173.13182	0.8
177.12805	2.2
181.10190	1.1
185.13330	1.2
195.13838	5.6
197.13419	0.9
229.14458	1.8
251.16415	1.4
253.14334	3.4
269.17477	24.2
281.17490	0.9
353.24881	2.3
371.25952	2.1
377.76147	0.6
389.26883	1.2
408.26102	0.6
413.21609	1.4
435.27325	3.4
441.15982	0.7
445.29562	18.0
463.30618	100.0
464.30957	2.2
481.31650	2.3
607.34723	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	660.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01868	0.9
55.05268	0.6
55.05514	6.5
56.96990	0.4
57.03445	4.0
57.07080	0.5
61.02919	2.2
65.03931	1.0
67.05508	27.1
67.07620	0.4
69.03423	0.9
69.07073	8.2
69.38670	2.6
71.05004	2.6
71.08611	0.4
73.02925	0.9
79.05497	16.7
79.68423	0.4
81.03414	2.0
81.07060	37.2
82.07391	0.8
83.04977	2.6
83.08617	7.6
85.02916	2.4
85.06551	2.2
91.03952	1.0
91.05482	13.0
93.07049	25.4
95.05008	2.4
95.08615	11.7
97.02907	1.0
97.06548	4.9
97.10155	1.4
99.08098	1.5
105.04528	0.7
105.07041	5.4
107.08597	14.8
109.06543	1.1
109.10155	3.0
111.08094	3.3
111.11722	0.6
113.09534	0.4
115.05487	0.4
117.07022	6.8
119.08566	2.9
120.06721	0.5
120.68656	0.5
121.06501	1.4
121.10152	7.4
123.08056	0.6
123.11747	2.4
125.09600	0.6
127.03945	0.6
129.07008	1.9
131.08574	6.6
133.06526	0.5
133.10147	7.5
135.08073	1.4
135.11693	4.9
139.49805	0.4
141.07053	1.0
143.08566	1.6
145.10124	1.9
147.11716	1.2
149.02354	0.5
149.13268	12.3
151.11172	1.4
155.08583	1.0
157.10126	1.1
159.11697	6.4
169.10127	0.7
171.11681	1.2
173.13335	0.7
177.12799	2.8
183.11696	0.8
185.13350	0.7
195.12000	0.7
195.13818	6.5
211.14795	0.4
213.14876	0.8
251.16483	1.4
269.17480	28.1
301.98383	0.6
321.49518	0.4
325.25259	0.6
335.23535	0.6
353.24762	1.8
354.43292	0.5
371.25986	0.9
389.27075	1.2
427.28348	1.0
445.29465	12.9
463.30573	100.0
464.31039	2.0
481.31775	1.1
607.34723	3.0
688.86450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40886	1.4
55.01346	1.4
61.07048	1.5
67.05498	2.9
71.52644	1.4
72.54447	1.3
79.05496	2.2
81.07030	4.2
91.05463	1.5
92.70811	1.4
93.07035	2.9
95.08638	2.2
105.07015	2.5
107.08564	2.0
109.10143	1.7
117.66118	1.5
128.03816	1.6
165.93497	1.5
199.16980	1.4
210.05098	1.5
302.07108	1.4
375.86798	1.4
398.13831	3.7
399.14651	11.2
400.14917	4.0
412.15369	3.1
413.16016	14.4
414.16901	52.4
415.17679	7.3
426.16837	3.3
427.17551	12.6
428.18420	30.3
429.18640	13.4
440.18326	2.9
441.19550	8.1
442.20041	15.8
443.14508	1.8
443.20740	36.7
444.20682	3.2
454.16406	1.4
456.21780	1.9
457.14908	4.9
457.21140	1.7
458.15845	20.4
467.17776	1.5
468.17532	2.4
469.18683	18.0
470.18497	2.8
472.17468	5.3
473.18076	5.4
481.14764	3.1
482.15164	2.3
487.19852	22.9
496.16727	6.4
498.22971	2.1
509.17731	2.4
510.18445	2.7
511.18942	3.3
513.17627	9.3
515.22375	1.6
524.20245	2.8
525.21173	8.8
526.21759	27.4
528.21710	1.6
530.25372	32.7
541.20947	3.0
556.22736	8.6
557.23987	66.6
558.24255	63.7
559.22443	2.4
574.24310	100.0
575.23749	2.9
589.26483	5.1
601.22186	2.2
602.13940	1.9
602.23285	27.8
615.24585	4.2
617.25861	8.3
633.25116	3.8
643.24005	25.0
661.24799	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91002	0.4
53.03936	0.6
65.03937	0.6
67.05505	1.0
67.13873	0.5
68.99777	0.5
76.20567	0.5
79.05486	2.3
80.05006	0.7
81.03429	1.3
81.07055	0.8
82.06580	1.1
85.02899	1.0
86.60566	0.5
91.05481	1.8
92.04993	0.6
93.07041	4.5
93.51763	0.5
94.06570	7.2
95.04967	0.5
95.07352	6.2
95.08613	1.4
96.08132	14.7
97.06514	1.3
98.06043	0.6
103.05473	0.7
106.06537	1.1
108.04448	0.6
108.08120	11.8
109.02869	0.7
110.09682	23.3
113.65537	0.5
116.04973	1.9
118.06567	0.9
120.04451	4.4
120.08109	17.1
121.06483	0.8
122.06032	2.9
122.09679	0.6
123.04396	0.6
123.06842	0.9
124.07594	8.3
127.03934	0.7
132.08121	0.8
134.06067	0.8
136.07587	8.0
137.05968	1.2
137.85094	0.6
138.05475	3.1
138.09145	35.5
144.04462	4.7
146.06007	4.2
148.03934	0.8
148.07581	6.0
150.05612	0.7
151.07507	0.7
152.07091	1.3
160.03946	1.8
162.05531	1.8
164.07045	1.8
166.05020	3.8
166.08644	60.4
167.09062	0.6
172.03937	28.6
174.05580	1.8
176.06990	0.6
177.05417	0.6
178.05038	0.8
180.06619	0.8
181.04947	0.6
188.07118	1.0
190.04994	13.4
192.06577	0.7
196.27734	0.5
197.10771	1.0
198.11526	0.7
199.12294	0.7
204.06580	12.0
209.10777	1.2
211.08617	1.1
212.09525	2.1
213.10167	0.9
216.06512	0.9
220.07021	0.5
222.07800	1.0
222.11555	1.2
223.08682	1.0
223.12245	1.0
224.09492	2.3
225.10237	3.7
226.10905	1.2
227.11819	3.1
232.06152	0.7
233.08339	0.6
235.08670	0.8
235.12331	0.6
236.09500	2.1
237.10225	10.4
238.11101	1.4
239.08139	1.2
239.11826	3.1
240.08824	0.7
241.09735	3.1
245.12968	1.4
247.14479	3.1
249.10231	2.0
250.07256	0.8
250.11111	1.5
251.08154	1.7
251.11784	7.0
252.09033	1.8
252.12625	0.9
253.09659	5.4
253.13461	0.9
254.10645	0.8
255.11302	2.0
257.12817	0.8
263.11847	1.4
264.08951	1.8
265.09720	14.6
266.10489	3.0
267.11249	3.7
268.08365	0.9
269.12854	1.8
271.10709	3.3
273.12399	5.5
278.06680	3.8
279.11279	8.5
280.08478	2.4
280.11801	1.0
281.09204	1.8
281.12888	3.4
283.10724	6.4
283.13083	0.6
284.11441	0.7
285.12384	2.2
287.14063	1.4
289.09680	0.8
291.11356	0.9
292.08240	2.2
293.09201	17.3
294.10001	3.3
295.10748	2.3
297.12311	6.5
299.10361	2.4
299.13846	0.9
300.11044	1.6
307.10785	4.5
309.12314	4.4
311.10391	2.4
312.10980	2.6
313.11877	5.9
317.09354	0.8
323.10236	1.6
325.11819	18.2
327.13510	1.4
335.10217	9.1
340.10565	2.0
341.11292	13.4
341.15100	1.0
342.12320	0.7
343.13040	1.8
353.11313	13.3
357.14520	4.6
367.13370	0.8
373.13913	9.6
385.13892	4.6
390.18268	1.2
398.15082	1.0
399.15759	1.8
404.15616	0.7
416.15558	1.3
418.17551	1.5
432.19376	0.9
434.20789	1.7
436.18784	0.8
437.19638	1.2
446.16968	1.3
458.17126	2.2
460.18872	1.4
462.20215	2.0
465.18976	8.0
475.16687	0.7
478.19611	4.7
488.18100	6.7
506.19238	100.0
507.19534	3.0
510.22437	1.8
520.20807	2.3
521.21442	2.2
522.22900	0.6
531.60608	0.6
538.21844	18.3
593.23737	0.7
611.24976	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	661.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.1
55.01860	6.1
55.05515	15.7
57.03207	1.6
57.03444	23.8
57.07067	5.5
61.02932	79.8
65.03930	1.7
67.05510	41.0
69.03094	2.3
69.03433	35.6
69.07075	20.8
70.63818	4.0
71.01360	3.8
71.05003	7.4
71.08648	2.2
73.02923	29.1
75.04473	3.8
79.05492	12.7
81.03421	23.8
81.06592	2.9
81.07063	49.7
83.04973	5.8
83.08627	13.3
85.02911	98.4
85.06541	2.5
85.10162	2.3
87.04470	3.0
88.90275	1.3
91.03958	58.8
91.05478	12.3
93.07050	18.4
95.04971	4.7
95.07999	1.7
95.08613	40.4
97.02898	72.5
97.06519	7.4
97.10163	7.2
99.04460	14.0
99.08096	2.4
101.02380	9.0
103.03952	10.4
105.07037	11.2
107.04980	2.8
107.08601	11.3
109.02889	14.2
109.06486	2.4
109.10165	16.9
111.04432	3.0
111.08060	2.3
115.03937	6.9
117.05476	3.1
117.07006	2.8
119.08591	8.8
121.10118	9.0
123.11732	7.4
125.05969	3.6
125.09657	2.3
127.03929	35.4
129.05496	6.9
131.08586	3.8
133.10144	7.3
135.11693	5.6
137.05974	2.5
137.09544	1.9
137.13351	2.0
145.03915	2.2
145.04973	24.4
145.10176	2.8
147.08051	1.8
147.11658	6.8
149.09593	2.5
149.13307	7.5
149.14421	1.3
151.11137	1.8
151.14896	2.0
159.06517	4.0
159.07904	1.5
159.11810	1.8
161.13243	4.4
163.06059	9.1
163.11156	3.4
163.14835	4.5
171.06570	2.6
173.13315	2.1
175.11140	1.4
175.14828	6.1
177.16559	1.5
179.08408	1.4
181.12254	9.1
183.06514	11.5
187.14935	1.9
189.16351	2.0
201.07561	9.8
201.12715	1.5
245.22716	9.3
261.22220	2.0
263.23752	19.2
301.25089	1.5
305.24915	3.7
317.24814	2.3
319.26495	1.9
319.82593	1.7
329.24628	2.6
337.27390	100.0
343.26291	2.3
347.25864	2.2
353.24704	2.2
365.26923	4.2
371.25815	5.1
379.28436	3.4
389.26822	2.6
407.28006	2.6
445.29419	5.2
463.30704	6.9
481.31604	10.7
499.32568	2.3
533.02777	1.5
661.37585	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	661.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44854	0.6
55.05511	0.9
57.03430	1.6
57.07080	2.4
67.05501	1.3
67.86803	1.0
69.07072	1.0
69.25780	1.5
69.26204	4.4
71.08637	1.7
76.55655	0.7
79.05487	1.0
81.07060	2.9
83.08635	0.7
85.10217	1.5
91.05477	0.9
93.07045	0.7
93.85362	0.6
95.08612	1.9
97.10178	0.6
105.07045	1.0
109.10147	1.1
119.08592	0.9
137.05818	1.1
138.32278	0.6
238.48181	0.6
313.27182	0.9
331.26477	1.0
349.19867	13.9
382.14865	0.7
405.22543	5.3
459.21909	1.6
592.26709	1.6
661.34332	6.9
661.46454	100.0
662.46729	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	662.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01864	3.1
55.05512	19.9
55.55656	0.7
57.03162	0.9
57.03438	18.2
57.07069	1.3
61.02919	3.0
65.03929	2.0
67.05505	39.6
69.03416	3.6
69.07068	12.6
69.27374	3.4
69.27795	3.7
71.01344	2.9
71.04993	6.1
73.02901	1.5
79.05495	39.3
81.03419	52.3
81.07056	26.9
83.04501	1.0
83.04983	17.0
83.08150	1.7
83.08614	19.8
85.02908	16.8
85.06534	4.3
87.04440	0.9
91.03961	1.5
91.05481	28.7
93.07045	43.6
95.04369	1.7
95.04967	23.4
95.08607	10.1
97.02890	4.5
97.06532	12.4
97.10168	8.7
98.21535	1.5
99.04409	1.6
99.08100	2.6
105.07028	14.5
107.04965	6.5
107.08592	25.6
109.06506	5.8
109.10171	4.4
111.04448	2.0
111.08088	8.4
113.06008	1.6
115.05476	1.4
117.07008	4.5
119.04931	0.8
119.08582	16.2
121.06504	2.4
121.10149	10.7
123.08058	2.2
123.11633	1.5
125.09644	3.6
127.03939	0.9
129.07004	7.9
131.08571	6.9
133.06496	1.8
133.10124	10.5
135.08159	1.1
135.11687	36.0
137.09608	3.8
137.13194	1.0
142.07790	2.5
145.10100	8.8
147.08067	2.4
147.11667	10.4
149.09634	5.6
153.12732	1.6
157.10109	11.3
163.11214	5.1
165.12746	3.0
175.11182	12.2
181.12242	8.4
193.12250	30.8
199.13254	1.5
211.13289	42.5
211.22054	0.8
255.15910	73.9
267.15915	24.6
285.16980	27.6
409.70972	0.9
421.25778	3.7
447.27414	69.0
448.27625	1.4
454.16678	0.8
465.28485	100.0
466.28870	1.8
497.17719	1.4
498.18344	3.1
570.20190	0.8
616.95410	1.2
630.22650	6.7
662.24988	5.5
662.35626	0.8
662.38959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58540	3.5
53.03944	9.6
54.12564	3.3
54.78628	3.3
55.01867	4.1
55.05515	30.2
55.94716	3.5
57.03442	11.9
57.07064	12.3
65.03958	6.4
67.05514	100.0
69.03411	3.3
69.07072	23.4
79.05499	68.1
81.07063	91.4
83.04991	6.8
83.08625	12.2
87.04485	42.2
91.05494	63.4
93.07056	80.3
95.04974	8.8
95.08045	2.8
95.08614	65.4
97.06538	8.5
97.10198	7.9
99.08067	5.6
105.07038	37.9
107.04961	4.9
107.08613	45.0
109.06532	3.5
109.10196	19.8
111.08086	4.7
117.07031	16.2
119.08594	26.5
121.06496	7.5
121.10148	29.5
123.08106	5.8
123.11688	5.3
125.09586	4.5
126.10450	3.3
129.07002	10.7
130.21329	3.3
131.08586	32.2
133.10126	30.9
135.11676	18.1
143.08582	13.4
145.10149	23.4
147.11684	13.6
149.09637	4.4
149.13272	12.1
157.10150	6.9
159.11713	12.5
161.13335	8.9
163.11209	5.4
171.11700	5.1
173.13297	7.9
177.12720	3.6
183.11629	3.3
185.13364	4.8
195.13721	4.2
243.21269	3.5
255.16035	5.9
261.22180	9.1
269.17609	19.2
273.18530	5.6
275.20050	22.7
304.03760	3.4
335.25821	68.6
337.27417	5.9
349.23718	13.1
367.24408	3.5
515.37268	13.4
529.38995	65.5
569.42017	12.1
587.80750	3.7
606.28131	8.6
609.44824	16.3
622.27460	8.3
627.46075	7.5
662.44983	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	662.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.8
55.05514	27.9
55.23129	4.0
57.03426	9.1
57.07074	6.8
65.03925	5.5
67.05511	58.6
69.07072	24.4
71.08641	34.3
79.05502	61.3
81.03370	5.5
81.07062	68.3
83.04948	8.6
83.08610	8.3
87.04458	53.3
91.05487	52.5
93.07052	77.0
95.04960	9.5
95.08604	49.7
97.06522	12.7
98.20694	8.2
99.04469	5.1
99.08080	20.0
105.06512	4.5
105.07050	50.9
107.04934	14.3
107.08604	43.4
109.06499	7.9
109.10126	20.2
117.07024	11.9
119.08608	42.1
121.06487	7.6
121.10143	33.1
129.07025	7.1
131.08549	19.1
133.10147	33.7
135.11719	35.3
143.08566	10.1
145.10086	15.2
147.11703	19.6
149.13240	14.3
151.11163	11.4
157.10130	7.4
159.11711	14.1
161.13248	22.7
161.19356	4.3
163.11148	7.7
171.11713	10.1
173.13283	11.1
175.11128	4.8
175.14822	12.4
179.14334	79.8
185.13307	9.1
186.81769	4.6
199.14789	5.0
203.94470	3.7
235.16940	5.8
241.19507	13.8
259.20523	23.0
275.20035	15.3
277.21713	51.5
294.21454	5.3
315.23044	11.0
333.24231	51.8
335.25748	12.0
349.23996	6.3
351.25330	45.7
371.36172	4.4
513.35376	4.8
609.45178	100.0
610.45270	5.7
623.77826	5.4
627.45728	5.0
662.46149	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	662.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.7
53.03938	7.0
55.01864	5.3
55.05244	1.8
55.05511	35.9
57.03438	14.0
57.07061	8.0
65.03936	4.5
67.05507	100.0
69.03430	2.8
69.07069	39.1
71.01384	4.0
71.04984	5.5
71.08609	3.9
79.04795	1.9
79.05495	76.4
81.03414	5.2
81.07058	84.6
83.04980	7.8
83.08619	22.1
85.06532	5.8
87.04462	18.7
91.04913	3.9
91.05485	62.7
93.07048	78.7
93.07642	4.5
95.04980	9.7
95.08609	61.7
97.06510	9.9
97.10171	21.8
99.08084	3.0
103.05473	2.5
103.88720	1.8
105.04485	2.9
105.07033	53.6
105.61759	1.7
107.04945	6.0
107.08594	51.5
109.06505	5.0
109.10155	34.6
111.08063	6.6
111.29792	1.8
113.09650	1.8
117.07009	20.4
119.08588	35.2
121.06501	4.3
121.10150	31.2
123.08073	5.0
123.11681	9.2
125.09631	14.4
129.07011	4.8
131.08572	28.8
133.10121	25.7
135.08047	4.7
135.11679	17.8
137.09602	4.9
137.13193	2.3
139.11165	1.7
143.08571	5.6
145.10129	23.3
147.08104	3.2
147.11673	20.3
149.09677	10.4
149.13246	8.1
151.11191	4.5
155.08575	3.6
157.10114	5.8
159.11655	16.8
161.09740	2.1
161.13216	11.6
163.11189	5.8
163.14810	4.2
165.12743	2.2
168.73274	1.9
169.10124	3.1
171.11699	5.1
173.11864	3.3
173.13223	12.4
175.11160	3.3
175.14792	3.9
177.12859	2.9
179.14304	5.3
183.11630	2.9
185.13252	6.9
187.14798	2.1
189.11183	11.2
197.13298	3.2
199.14813	4.2
203.14294	1.9
205.12224	2.1
215.17946	2.3
227.12776	33.7
229.14378	5.2
229.19485	3.3
239.17972	3.7
243.21152	4.4
257.19147	11.2
259.20593	4.3
261.22241	11.9
267.15948	7.9
275.20062	49.4
277.21585	3.5
293.21194	2.2
313.27380	4.2
317.24921	3.1
331.22849	3.0
333.24210	2.2
335.25806	83.5
349.23715	42.9
351.25336	3.5
431.31412	3.0
489.35818	20.0
505.35275	7.1
513.39160	4.8
515.36938	2.1
529.38666	7.2
545.38147	2.3
546.41315	5.7
547.41107	2.5
609.45093	41.0
626.47241	2.4
627.45831	6.5
644.48663	3.6
662.46063	6.5
663.47711	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	663.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42868	2.1
53.03940	4.7
55.01876	3.8
55.05512	28.7
57.03427	2.7
59.04980	2.1
61.36053	1.7
65.03928	4.6
65.33947	1.8
67.05507	55.5
69.03420	3.4
69.07072	16.0
70.10786	3.9
70.11137	5.8
71.04984	4.5
79.05492	43.3
81.07059	52.7
83.04991	3.7
83.08632	10.0
85.06525	2.3
91.05489	26.2
93.07041	40.0
95.04973	4.6
95.08610	42.4
97.06516	3.6
97.10164	5.9
103.05502	1.9
105.07040	20.9
107.08601	24.9
109.10141	14.8
111.08083	2.7
115.05424	3.2
117.07036	5.0
119.08589	13.9
119.86939	2.0
121.10123	15.2
123.08101	3.7
123.11717	3.9
125.09644	2.3
128.06244	10.2
129.06992	4.7
131.08565	12.6
133.10147	13.8
135.11693	6.5
141.06975	18.4
142.07709	2.2
143.08580	15.8
145.06467	2.6
145.10182	10.7
147.11697	8.2
149.13245	4.3
151.06403	1.9
152.06194	2.0
153.06992	12.1
154.07703	2.7
155.08569	21.2
157.06490	10.0
157.10141	4.5
159.08069	4.0
159.11694	5.5
161.13263	4.6
163.14886	2.3
165.07010	7.6
167.08586	14.0
169.06474	11.6
169.10132	6.5
171.08055	28.9
173.06032	10.4
173.13254	2.9
175.07588	2.3
175.14767	3.2
178.07782	4.2
179.08528	11.4
179.55022	1.9
180.09430	3.5
181.06488	42.4
181.07976	3.7
181.10097	15.9
183.06500	4.0
183.08064	53.4
183.11655	3.1
185.06033	6.1
185.09613	7.0
185.13353	2.5
187.07527	25.1
190.07684	2.1
191.08569	6.3
192.09402	2.9
193.10139	8.1
194.07376	5.8
195.08040	21.4
195.11653	6.6
197.06067	3.6
197.09639	17.0
199.07545	100.0
201.09117	12.6
203.08551	4.7
203.33253	1.9
204.09363	2.7
205.10135	8.8
207.08032	23.3
207.11678	6.0
208.08824	5.4
209.09622	26.9
211.07576	5.1
211.11342	2.7
213.09126	10.7
217.10222	3.8
219.08025	7.6
219.11722	5.8
220.08913	3.3
221.09624	16.6
221.13182	4.1
222.10405	2.6
223.07671	3.2
223.11211	12.5
223.14806	2.4
225.09148	6.7
227.10677	6.1
229.10172	3.5
231.08090	5.0
231.11720	3.0
232.08899	2.8
233.09653	11.0
233.13268	4.6
234.10326	3.4
235.11160	7.7
235.14771	2.5
237.09128	5.1
237.12740	3.8
237.16493	3.0
239.10692	4.8
241.19635	2.2
243.11794	2.5
245.09679	3.0
245.13300	4.6
246.10448	2.7
247.11177	8.3
247.14839	5.3
249.08994	2.4
249.12764	6.5
251.14270	6.4
253.15916	5.9
259.11209	4.8
260.11774	2.4
261.12811	5.9
261.22168	1.9
263.14426	4.1
265.15939	13.4
269.15594	2.5
273.12589	2.9
273.22281	3.4
275.14252	21.6
277.16095	4.7
281.15421	4.3
283.16956	11.3
287.14066	2.4
287.23718	2.3
289.15747	2.7
293.15405	24.7
295.17053	4.0
297.15079	2.9
299.16553	2.8
303.17343	2.6
307.16953	5.5
311.16452	63.0
319.16812	3.7
321.18549	3.1
323.16544	5.3
325.18100	2.9
329.17517	22.5
331.16895	2.9
331.20499	2.4
335.25766	13.7
337.17984	16.4
341.17526	2.2
347.19873	3.9
349.17871	12.0
351.19574	2.7
359.19656	4.0
361.52515	2.1
367.19101	13.2
371.19257	2.7
385.20093	20.0
403.21710	2.7
405.24240	2.9
415.26306	2.3
431.25806	2.5
441.27899	2.5
443.25601	2.4
501.30579	2.1
525.37567	3.8
535.35614	8.0
553.36920	20.2
563.59882	2.2
571.37683	20.8
589.38702	4.1
609.39404	3.9
627.40363	20.5
645.31256	3.1
645.41522	58.9
663.42725	60.9
664.42816	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	663.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
55.01873	4.5
55.05515	32.9
57.03432	4.8
65.03947	5.0
67.05180	5.8
67.05510	65.0
69.07060	24.5
69.46416	8.6
69.46831	24.6
71.04998	5.5
79.05497	64.9
81.03438	5.2
81.07068	52.3
83.04987	7.3
83.08627	9.6
85.06580	4.2
85.31448	3.8
87.04470	4.6
90.66614	4.1
91.05473	40.5
93.07047	48.7
95.04970	5.9
95.08611	43.7
97.06526	6.5
97.10171	12.2
105.07022	25.6
107.08607	30.0
109.06527	7.3
109.10165	20.2
115.05454	6.6
117.07038	9.3
119.08586	22.1
121.10130	19.3
123.08048	5.8
125.09638	4.7
126.86674	3.9
128.06207	13.2
129.06981	13.4
131.08562	18.1
133.10141	18.0
135.11700	8.3
137.05937	8.7
141.07016	11.4
143.08556	17.7
144.85016	3.7
145.06451	7.0
145.10141	16.2
147.04420	5.1
147.11717	5.3
149.09669	4.4
149.13243	5.7
152.06238	4.5
153.07021	15.0
155.08563	22.6
157.06541	10.6
157.10199	7.2
159.08095	5.2
159.11624	5.9
161.13278	5.2
162.02306	4.2
165.07028	10.6
167.08566	16.9
169.06494	12.5
169.10214	8.6
171.08066	33.5
171.11662	5.9
173.05988	20.2
173.13234	5.8
178.07686	4.8
179.08563	14.4
181.06467	41.2
181.07677	3.8
181.10025	20.8
183.08060	48.8
185.06007	10.2
185.09608	5.4
185.53186	5.1
187.07597	17.2
191.08612	6.8
193.10155	11.4
195.08102	20.1
195.11728	9.5
197.09651	12.6
199.07550	100.0
201.09109	16.1
205.10107	6.8
207.08073	21.8
209.09621	29.4
211.07620	8.6
211.11188	6.0
213.09171	16.4
217.10109	4.6
219.11842	4.9
221.09636	19.6
222.10388	4.3
223.07671	4.2
223.11214	14.7
225.09134	10.9
227.10725	5.4
231.08301	4.3
231.11598	4.2
233.09612	11.1
233.13220	6.1
235.11284	7.4
237.09166	7.1
237.12651	6.7
239.10588	5.3
245.09702	7.0
247.11244	8.6
251.10800	5.6
251.14326	9.5
259.11148	7.9
261.12741	7.7
265.15930	11.9
273.12762	4.3
275.14450	25.5
277.21637	5.1
283.16904	13.8
293.15530	21.0
295.16986	8.1
299.16483	5.4
311.16443	72.8
319.16965	4.3
329.17389	31.3
335.25708	19.2
337.17902	20.0
349.18036	16.7
351.19135	4.1
367.18979	20.2
385.20178	25.9
535.35394	7.0
543.37482	4.0
553.36792	19.3
571.38123	19.2
575.33545	4.6
589.38605	9.6
609.39087	8.6
624.67596	4.3
627.40704	25.2
645.41534	58.9
663.42548	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.8
57.07079	47.6
57.07469	1.5
67.05495	0.9
68.39936	0.5
69.20965	4.2
77.03971	0.9
80.36107	0.4
81.03387	0.5
81.07023	0.7
81.87183	0.4
83.08547	0.5
87.04411	1.0
91.05004	0.6
91.05486	7.3
91.61681	0.4
92.05759	0.5
93.07027	1.1
95.04979	0.5
95.08570	0.8
105.06236	0.4
105.07037	2.4
107.08553	1.3
111.29268	0.5
115.30215	0.4
117.07004	0.8
119.08539	1.5
131.07265	0.4
132.09326	0.9
133.10146	0.5
135.46889	0.5
147.11699	6.7
152.06180	0.8
153.06970	3.2
171.07999	0.8
198.14207	0.5
201.26283	0.4
215.02513	0.5
228.09348	0.5
229.10162	0.8
233.03645	4.7
251.04675	15.0
253.14374	0.5
258.51257	0.5
307.10931	1.7
327.07816	100.0
328.08344	1.1
363.17307	0.8
383.14078	79.1
384.14474	1.8
424.16873	0.6
439.20352	79.5
440.20566	1.4
495.26611	73.3
496.26749	1.1
551.32874	97.3
552.33453	3.1
607.39111	86.3
608.39398	3.0
663.35651	1.7
663.45386	23.2
664.45258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59481	1.1
54.32411	1.0
54.72943	0.9
55.05507	9.6
57.03191	1.3
57.03440	11.0
57.07081	24.4
57.76336	1.1
59.05001	3.6
61.02927	5.5
67.05506	70.0
69.03427	2.0
69.07070	5.1
71.04990	3.7
71.08633	16.5
71.53441	1.4
72.48593	1.1
73.02917	1.8
79.05483	3.4
81.03452	1.3
81.07062	17.2
83.08622	9.7
85.02915	4.6
85.06532	3.7
85.10184	10.7
87.04488	1.7
89.06034	1.5
91.03951	1.4
91.05477	4.9
93.07048	3.2
95.08607	16.7
97.02890	3.5
97.10177	2.7
101.16179	1.0
103.07577	1.6
107.08627	2.4
109.10160	69.1
110.67480	1.1
111.08079	2.3
119.08569	5.8
123.11713	2.8
137.09587	3.0
137.13194	1.4
151.12558	1.1
155.10674	4.9
173.11752	19.5
179.14290	1.4
229.14352	100.0
257.24881	1.6
313.27377	82.2
314.27701	1.4
467.37363	66.6
468.37711	1.5
603.70605	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01870	3.8
55.05518	5.5
57.03423	2.3
57.07065	2.3
65.03945	0.9
67.05514	13.4
69.07079	5.5
79.05499	10.7
81.07058	32.3
83.04988	2.0
83.08608	2.8
85.06571	1.0
91.05487	4.9
93.07042	9.7
95.04942	1.1
95.08062	1.5
95.08614	13.4
105.07012	4.8
107.08611	7.1
109.06522	9.9
109.10161	6.0
109.78941	0.8
111.04461	12.3
111.08070	1.4
117.07001	1.3
119.08599	6.4
121.10169	6.9
123.08083	1.9
123.11692	2.7
125.05998	4.1
131.08528	2.2
133.10149	5.1
135.08038	2.4
135.11700	6.3
137.05984	100.0
137.13228	1.6
143.08528	0.9
145.10146	1.0
147.08060	1.4
147.11711	6.2
149.09619	2.8
149.13239	1.3
151.07507	2.4
157.10117	2.3
159.11740	1.4
161.09607	5.4
161.13251	2.6
163.11180	2.9
163.14806	0.9
165.09093	3.1
165.12730	1.0
167.10658	1.3
169.59677	0.8
171.11638	1.2
175.11162	4.6
175.14861	1.7
177.12674	0.8
179.10646	1.5
189.12746	1.5
193.12286	1.6
195.59608	0.9
203.17986	7.0
205.19478	1.0
213.16357	2.3
221.19005	1.8
231.17407	8.5
249.18549	4.5
261.22235	0.9
277.18008	51.3
295.19058	8.3
335.25833	31.7
336.26334	0.8
351.17456	1.4
351.21677	24.8
369.22781	1.4
383.67374	0.9
552.32239	1.0
611.43079	72.1
612.43060	1.8
629.43878	5.2
646.39917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01865	4.7
55.05516	26.7
57.03196	1.4
57.03442	13.8
57.07064	6.3
65.03944	4.3
67.05510	97.9
69.03431	3.2
69.07076	32.1
71.01573	3.4
71.04980	4.3
71.08624	3.2
73.06520	1.3
76.97806	1.3
79.05499	42.6
81.03394	3.8
81.07062	100.0
83.04987	9.5
83.08624	17.9
85.06540	3.4
91.05490	40.9
93.07052	56.2
95.04997	7.8
95.08613	55.5
97.06542	13.4
97.10191	8.5
99.08083	3.5
105.07042	33.7
107.04944	5.1
107.08598	32.2
109.06507	6.3
109.09483	2.1
109.10167	26.9
111.08100	7.0
113.09695	1.6
117.07014	10.6
119.08586	23.9
121.06522	2.9
121.10149	19.6
123.08044	3.6
123.11711	10.2
124.84780	1.3
125.09649	1.7
129.07014	3.9
131.08574	15.3
133.10143	19.3
135.08040	4.7
135.11700	14.1
137.09641	3.5
137.13274	3.6
139.11063	1.9
143.08562	4.0
145.10172	11.5
147.08128	1.4
147.11682	12.5
149.09622	5.1
149.13243	9.4
151.11089	2.0
155.08578	2.3
157.10159	4.8
159.11707	9.3
161.13269	5.5
163.11163	3.0
163.14903	2.8
169.10172	2.4
171.11826	1.7
171.93727	1.5
173.13278	2.0
175.14784	2.8
177.12772	2.5
179.96155	1.4
182.97993	1.7
183.11690	1.7
185.13220	2.7
195.13809	4.1
197.13284	1.7
217.15843	1.7
227.12813	2.9
229.14369	4.3
229.19487	1.9
247.20605	2.2
251.16454	2.6
255.15916	10.0
257.18967	6.1
263.23685	4.6
269.17480	14.4
275.20099	26.4
291.19482	1.8
293.21149	1.8
309.20627	1.8
328.08179	1.8
331.22772	2.0
335.25760	2.6
337.27399	75.1
349.23758	16.3
384.14258	1.6
440.20828	1.7
464.10925	1.4
491.37311	2.9
517.38910	17.4
531.40466	79.3
547.40369	1.9
552.33124	2.4
571.43378	9.0
611.46619	11.9
629.47638	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	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.0
55.01862	7.6
55.05277	2.9
55.05516	37.6
57.03444	13.5
57.07084	10.6
65.03923	4.7
67.05507	93.7
69.03413	3.4
69.07075	31.0
69.51520	15.4
71.01025	2.0
71.04972	2.9
71.08642	4.7
74.82406	2.0
79.05498	59.6
81.07063	100.0
83.04967	7.8
83.08635	19.0
85.06548	4.6
86.77173	2.1
87.04497	2.6
91.05489	42.2
93.07052	71.9
95.04966	12.0
95.08611	53.6
97.06538	8.6
97.10189	15.1
105.04533	2.6
105.07041	30.0
107.04895	2.7
107.08602	36.3
109.06512	8.1
109.10164	30.3
111.08070	5.4
115.17927	2.1
117.07032	12.9
119.08577	22.7
121.10172	23.5
123.08128	2.4
123.11724	7.3
125.09595	10.8
129.06967	5.8
131.08606	18.0
133.10147	17.4
135.08008	3.8
135.11717	13.9
139.11143	3.3
143.08565	2.6
145.10144	11.8
147.11678	15.7
149.09650	5.4
149.13240	9.3
151.11150	2.7
157.10139	3.2
159.11702	12.6
161.13275	8.9
163.11166	3.4
163.14850	4.8
165.09004	2.3
171.11719	3.0
173.13306	2.4
175.14832	3.4
179.14291	3.5
189.11218	4.7
195.13797	6.3
227.12813	17.3
229.14375	6.3
239.17932	2.7
243.21143	3.2
257.19022	4.5
261.22205	4.6
269.17560	23.1
275.20087	21.3
277.21616	5.6
327.07809	2.7
328.08102	3.0
335.25784	29.6
337.27344	37.2
349.23788	16.2
351.25293	8.2
375.50751	2.3
383.13870	2.7
407.66266	2.6
416.94470	2.3
439.19623	2.6
489.36032	3.3
491.37219	7.7
504.73773	2.4
507.36990	3.9
517.39520	2.3
529.38910	69.7
530.39148	2.7
531.40570	5.8
551.52264	2.6
552.32959	4.8
611.46686	17.5
629.47504	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	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.01865	3.2
55.05521	12.7
55.43691	1.1
57.03440	6.3
57.03668	1.3
57.07066	3.7
65.03933	2.3
67.05511	52.8
69.03423	1.3
69.07073	13.9
70.76157	3.1
71.04982	1.6
71.08621	5.1
79.05502	38.8
81.03403	1.9
81.07064	49.1
83.04987	6.1
83.08637	6.4
85.06532	2.8
86.53407	1.1
91.05492	28.1
93.06495	2.1
93.07053	41.0
95.04987	7.0
95.08613	33.4
97.06533	6.2
97.10156	4.4
97.29259	0.9
99.08075	2.9
105.07043	16.7
107.04964	1.8
107.08604	21.0
109.06539	2.1
109.10155	9.8
111.08070	3.1
117.07019	8.6
119.08597	9.0
121.06468	1.6
121.10145	13.3
123.08049	1.6
123.11700	3.2
125.09689	2.0
129.06975	2.2
131.08574	10.9
133.10159	9.7
135.08063	1.8
135.11681	10.5
139.11122	1.4
143.08583	1.9
145.10109	5.0
147.11707	5.9
149.09645	1.2
149.13277	7.1
151.11165	4.7
157.10127	1.6
159.11700	7.2
161.13220	4.6
163.11215	2.0
163.14804	1.5
165.12723	1.7
171.11636	1.5
173.13260	1.8
177.12744	1.9
185.13243	1.4
187.14778	1.5
193.96404	1.1
195.13866	4.4
227.12782	1.7
251.16385	1.3
259.20496	1.9
261.22131	4.3
267.91455	1.3
269.17532	7.1
275.20282	1.2
277.21649	7.4
317.24802	1.2
328.08295	1.5
335.22040	2.3
335.25803	30.5
337.27377	2.3
340.41797	1.3
348.36395	1.2
351.25391	9.5
489.35800	2.8
529.38934	100.0
608.39325	1.6
611.46741	9.2
664.46332	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02974	0.3
53.03946	0.5
55.05512	2.4
56.16783	0.3
56.49002	0.4
57.07073	0.7
67.05514	3.6
69.07071	1.9
69.27681	2.9
79.05498	3.1
81.07057	7.2
83.04995	1.6
83.08640	1.9
85.06564	0.5
89.03916	6.5
89.41193	0.3
91.05476	4.0
93.07047	6.7
95.04980	1.0
95.08609	11.2
97.06512	0.8
97.10164	0.6
98.21502	0.7
99.08105	0.5
103.05442	0.5
105.06325	0.5
105.07030	8.7
106.04165	0.6
107.08596	10.6
109.06503	0.9
109.10163	7.3
111.08075	1.7
117.03385	17.9
117.06981	1.9
119.08584	12.9
121.06531	0.6
121.10143	8.0
123.08047	1.0
123.11701	2.5
125.09642	2.6
129.07025	0.9
130.07845	0.4
131.08569	5.2
133.10135	8.8
134.03687	1.7
135.04443	0.9
135.08040	0.6
135.11696	4.0
137.09624	1.0
139.11221	0.3
139.42972	0.3
141.06963	0.4
142.07730	0.4
143.08553	1.9
145.02846	47.7
145.10124	10.2
145.11288	0.4
146.03172	0.4
147.11690	4.8
149.02347	0.9
149.04808	0.4
149.05980	7.9
149.09676	0.5
149.13284	2.6
151.11159	0.8
153.09100	1.0
155.08614	0.4
157.10117	2.6
158.06107	0.4
158.10953	0.4
159.11696	8.5
161.13248	4.2
163.03894	1.2
163.07498	0.3
163.11163	0.5
163.14828	2.6
169.10162	0.5
170.10880	0.3
171.11664	1.9
172.12367	0.8
173.13269	4.9
175.14835	3.9
177.05472	100.0
177.16377	2.5
178.05777	0.9
183.11697	0.9
185.13300	1.6
186.05518	2.7
187.14813	15.0
189.16396	7.5
191.14308	1.3
191.17966	3.1
193.04994	0.7
193.15831	0.6
195.06516	8.6
197.13289	1.2
199.07626	0.5
199.14801	2.5
201.16391	8.7
203.14351	0.5
203.17961	4.4
205.15881	2.8
205.19630	0.7
211.14812	0.7
213.16365	3.9
215.14610	0.5
215.17935	7.7
217.15883	2.0
217.19479	1.2
219.17442	4.2
225.16418	0.7
227.17989	0.6
229.15929	0.5
229.19524	1.1
231.17441	0.8
233.18996	1.9
235.16867	3.5
239.18086	0.7
241.19449	0.8
243.21075	0.6
247.16911	3.7
249.18561	0.5
255.21065	0.9
261.18481	3.3
267.21066	1.6
269.22543	0.5
281.22696	0.6
293.22717	0.6
299.20093	0.4
307.23672	0.4
311.23761	0.7
326.80295	0.4
355.25610	0.3
363.30344	0.3
389.31940	2.6
395.29321	1.1
407.33109	12.7
409.34796	0.6
423.32449	0.6
425.34024	0.8
435.32712	3.4
443.35297	1.0
453.33627	8.8
647.39417	0.4
665.18854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
55.05513	1.6
57.07087	0.6
63.02375	0.4
65.03939	0.5
67.05512	3.5
69.03441	0.8
69.07076	2.8
70.00258	1.2
79.05499	3.5
81.07062	7.0
83.04980	1.8
83.08620	1.7
89.03920	7.1
91.05479	4.0
93.07053	7.7
95.04979	1.0
95.08611	10.7
97.06542	0.8
97.10166	0.7
103.05466	0.5
105.07043	8.6
106.04204	0.5
107.08607	11.3
109.06551	1.0
109.10165	7.0
111.08089	1.2
117.03389	19.5
117.07012	1.3
117.94412	0.4
119.08591	13.6
121.06504	0.4
121.10146	8.0
123.08073	0.7
123.11722	2.0
125.09649	2.4
128.06250	0.4
129.07053	0.8
131.08577	4.4
133.10143	8.2
134.03656	1.4
135.04399	1.4
135.11725	4.0
137.09612	1.3
137.13307	0.4
143.08589	2.9
144.09367	0.6
145.02856	44.8
145.10124	9.6
147.11679	5.3
149.02365	0.9
149.05988	6.9
149.09596	0.3
149.13289	2.8
151.07533	0.4
151.11160	0.7
153.09122	0.8
155.08568	0.4
157.10141	1.6
158.06030	0.4
159.11694	8.4
161.13252	4.4
163.03949	1.1
163.11224	0.7
163.14830	2.1
170.11067	0.4
171.11699	1.8
173.13286	4.7
175.14851	5.4
177.05481	100.0
177.16371	2.2
178.05879	0.7
183.11653	0.8
185.13303	1.1
186.05516	2.8
187.13158	0.7
187.14836	14.0
189.16399	6.9
191.14334	1.1
191.17931	3.1
193.04985	0.5
193.15907	0.7
195.06537	9.3
197.13258	1.2
199.14781	2.1
201.16388	8.9
203.14413	0.6
203.17961	4.1
205.15924	2.7
205.19505	0.4
207.17416	0.5
209.15392	0.6
211.14836	0.8
213.16365	4.5
215.14305	0.4
215.17958	7.2
215.19933	0.6
217.15904	1.6
217.19493	0.9
219.17462	4.8
222.46552	0.3
225.16576	0.7
227.18057	1.1
229.15807	0.5
229.19568	0.6
231.17528	0.6
233.19063	1.6
235.16934	3.4
237.16322	0.4
239.18102	0.3
241.19518	1.3
243.21109	0.7
247.16977	4.0
249.18448	0.7
253.19562	0.5
255.21068	1.0
257.22528	0.4
261.18466	2.8
265.19571	0.5
267.21216	1.7
272.66183	0.3
281.22528	0.6
293.22772	0.9
311.23563	0.8
347.27124	0.4
349.28787	0.5
351.55350	0.4
379.33505	0.4
389.32001	2.7
395.29358	1.3
407.27808	0.7
407.33115	12.4
409.34702	1.0
423.32562	1.0
425.34140	0.9
427.43210	0.4
435.32669	3.9
443.34979	1.0
453.33685	9.8
454.34296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23047	0.6
53.03952	3.5
55.01868	1.5
57.03448	5.0
61.02931	4.9
65.06132	0.6
69.03436	25.5
69.07060	0.8
69.77873	2.7
71.04980	2.4
73.02927	4.9
79.05466	1.1
81.03430	18.3
81.07056	1.8
85.02913	63.9
87.04477	15.8
91.03957	4.0
91.05479	1.7
93.07036	1.2
94.04182	1.0
95.08595	1.2
97.02900	33.1
98.03217	1.1
98.20866	0.9
99.04467	5.5
101.02396	0.8
103.03921	1.1
105.06994	0.7
107.08603	0.7
108.04477	1.2
109.02891	13.3
109.03610	1.3
111.04445	0.7
112.48312	0.6
115.03938	52.5
117.07037	0.8
119.08563	0.8
121.06516	4.8
122.03663	3.3
127.03928	39.1
133.04982	14.4
136.05205	0.8
137.05986	100.0
145.04973	40.3
145.06442	1.9
146.07265	2.9
147.04401	1.1
147.08057	0.9
149.06004	5.5
151.07562	15.5
156.05775	0.7
157.04958	2.1
161.06023	2.4
163.06053	6.5
163.07434	0.9
165.05504	3.0
173.05963	0.7
175.06039	1.1
175.07524	1.1
177.05470	3.3
177.09111	13.2
179.07082	1.9
183.11609	0.6
189.09166	1.8
191.10672	0.9
199.07629	0.7
201.09111	1.5
205.08612	1.2
217.08592	0.9
219.10172	2.2
227.07094	0.8
235.11279	0.8
237.11223	6.2
241.07210	3.1
245.09662	1.5
249.11273	0.9
259.08157	15.3
263.10715	1.4
273.09064	0.9
274.09918	1.8
277.09250	13.7
277.12140	1.4
290.09555	0.9
291.10229	1.5
295.13364	3.2
305.11740	14.5
306.12451	1.1
323.12799	7.2
337.14316	6.7
355.15424	33.4
373.16486	49.9
374.16980	1.0
385.12985	0.7
397.16705	3.0
439.17618	1.0
463.17337	1.9
481.18561	2.2
594.89014	0.7
666.38226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.6
67.05498	6.4
69.03439	17.9
69.07045	6.5
70.95897	11.0
79.05480	8.9
81.03410	14.3
81.07044	20.4
85.02901	27.9
86.86322	5.6
91.05476	9.0
93.07026	17.5
95.08613	21.6
97.02876	9.7
105.07034	18.9
107.08627	11.0
109.02881	21.5
109.10134	22.0
111.08125	5.9
119.08571	22.3
121.06562	8.9
121.10136	17.4
127.03896	20.9
133.10138	9.8
135.04439	12.4
136.06197	6.9
137.05984	100.0
145.04948	8.5
147.11732	9.6
149.06003	7.3
151.07584	18.1
163.03934	49.5
164.04253	20.9
177.09084	13.1
187.07463	8.0
203.17953	21.1
231.05084	8.7
237.11201	9.0
305.11682	18.7
323.12912	10.5
355.15356	37.5
373.16479	83.0
413.02094	7.3
666.27295	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
56.33090	0.8
57.07105	0.8
59.62577	0.8
62.00315	0.7
67.05498	2.6
68.05829	0.9
68.19447	0.8
68.73635	0.8
69.07070	1.2
71.16675	1.4
71.17006	1.2
72.08145	1.4
79.05484	2.1
81.07062	4.8
89.77910	0.9
91.05486	1.8
92.65374	0.9
93.07042	1.6
95.08598	2.8
96.82848	0.8
101.06802	0.8
101.72680	0.9
107.08618	1.0
108.08940	0.8
109.10144	1.4
111.04424	1.9
118.68445	0.8
119.08569	1.2
131.08542	1.2
133.10135	1.2
135.07990	0.9
137.05975	12.5
138.06334	3.0
149.09657	1.1
175.11331	0.9
206.95505	0.8
277.18005	3.5
278.18341	3.3
279.18613	1.1
335.25803	1.7
336.26254	1.5
352.21838	2.0
400.17188	1.7
401.17392	1.1
413.17938	2.6
414.18466	2.7
415.19278	4.3
416.21301	0.9
427.19241	1.3
428.19861	3.8
429.20804	14.6
430.21695	2.6
443.22516	9.6
444.23077	3.8
456.19522	1.4
457.24881	4.4
458.25052	5.2
459.21689	5.5
460.21680	3.1
461.21970	1.4
470.21039	1.1
471.22015	1.9
472.22678	6.6
475.23730	2.0
485.23450	9.3
486.24329	2.3
500.22189	2.4
503.24362	1.7
513.22913	2.1
517.26086	6.7
529.25714	1.2
545.25519	64.8
546.25824	2.3
573.24988	19.3
605.27643	100.0
606.27936	2.6
612.42993	4.8
613.43738	5.0
666.33081	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	666.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03954	2.8
55.01867	1.1
55.05512	1.9
57.03429	2.0
59.05018	0.7
61.02934	0.5
65.03916	0.4
65.67447	0.4
66.53712	0.4
67.05498	1.2
69.03429	11.2
69.52386	0.4
70.55318	1.1
71.04985	1.1
73.02921	0.4
75.04467	1.2
77.03942	0.8
79.05494	15.4
81.03424	8.9
81.07066	3.9
83.04978	0.6
84.48138	0.4
85.02910	7.5
87.04478	1.0
91.05482	11.5
91.06026	0.8
93.07044	68.7
94.07364	0.5
95.04951	2.1
95.08605	3.7
97.02890	6.2
97.06534	0.8
98.20864	0.4
99.04454	2.2
100.68978	0.4
101.02400	0.5
103.05479	1.1
105.04549	0.7
105.07035	13.7
106.07813	1.3
107.04945	1.2
107.08601	15.2
109.02876	4.5
109.06512	2.7
111.04435	0.7
111.08105	2.4
115.05432	0.6
115.56019	0.4
116.06249	0.7
117.07021	0.5
119.08591	7.2
121.06532	4.6
121.10146	100.0
122.10474	0.9
123.08078	3.5
123.11712	2.5
125.05936	1.1
127.03920	4.6
129.05453	0.7
129.06990	1.0
131.08560	8.6
133.07608	1.5
133.10161	1.0
135.08057	0.6
139.11177	2.8
141.09074	3.1
145.04968	1.0
145.10149	0.9
147.08034	0.9
149.09621	97.8
159.10197	0.7
163.03885	0.5
163.11182	0.5
165.09099	0.6
167.07056	1.0
167.10680	20.7
229.11981	0.5
247.13245	0.5
265.14313	0.7
275.12762	1.4
283.15488	2.9
293.13809	7.6
311.14886	46.7
312.15195	0.6
329.16055	0.6
418.15454	0.5
451.23087	1.4
469.24292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01872	1.8
55.05517	17.8
57.03439	7.3
57.07080	4.4
65.03947	2.2
67.05511	61.7
69.07073	17.6
69.31014	5.9
71.04993	2.8
71.08630	6.0
75.52069	0.7
79.05499	25.8
81.03423	2.5
81.07062	55.7
83.04988	5.8
83.08629	11.8
85.06554	1.5
88.88847	0.7
91.05486	19.3
93.07050	30.8
95.04980	6.2
95.08618	33.2
97.06537	6.7
97.10178	4.9
98.21548	1.4
99.08115	3.4
105.07048	11.5
105.94874	0.8
107.08611	15.5
109.06516	2.4
109.10169	14.4
111.08091	2.5
113.09658	1.3
117.07016	5.3
119.08590	7.7
121.10150	10.8
123.08109	0.8
123.11719	4.8
125.09641	2.2
129.06978	1.4
131.08603	6.9
133.10146	9.2
135.11710	6.0
137.09607	1.1
137.13237	2.1
139.11192	1.8
143.08487	0.9
145.10136	3.1
147.11673	5.2
149.13268	7.0
151.11206	4.1
157.10046	0.9
159.11725	3.7
161.13281	3.5
163.11183	2.9
163.14861	2.0
165.12738	0.9
171.11775	1.1
173.13278	0.9
175.14876	1.7
177.12866	1.4
179.14383	1.3
181.05403	0.8
185.13284	0.8
195.13846	4.3
227.12830	2.1
229.14258	1.0
231.72478	0.9
235.95198	0.8
241.19499	1.5
245.22771	1.5
246.03896	0.9
248.78401	0.8
251.16478	1.9
259.20599	1.0
260.08017	0.7
263.23688	3.8
265.34076	0.8
269.17508	9.7
277.21585	5.9
329.08472	1.8
337.27423	31.6
351.25323	9.9
384.14551	1.1
478.82629	1.0
491.37427	4.1
517.39117	1.2
531.40485	100.0
532.40594	1.6
553.33374	1.0
554.34015	1.3
565.06659	1.0
610.40137	2.0
613.48260	9.6
631.48920	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	667.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05652	1.1
69.33706	3.2
69.34130	4.8
128.18327	1.0
164.56822	0.9
180.10349	1.1
221.10762	1.3
249.10292	1.5
283.18063	1.2
322.09991	1.3
324.14948	1.4
325.11954	1.2
326.12891	2.0
338.12900	1.4
339.13980	1.1
341.10822	1.2
366.12506	1.1
368.13947	1.6
375.16251	1.3
376.17001	1.8
377.17798	1.1
380.14050	1.6
381.11130	1.1
385.14423	1.4
388.16913	1.6
389.18143	3.1
390.18549	3.6
391.19159	8.2
398.15466	1.8
401.17691	1.7
403.19559	2.1
404.20392	1.3
405.20792	10.6
405.85464	1.0
406.21585	2.4
407.22397	1.4
410.19278	1.1
416.16293	1.5
417.16263	1.5
417.21219	1.9
418.17587	1.1
419.22473	4.0
421.16623	1.2
428.16312	3.6
429.16992	1.3
431.18536	1.7
433.20242	3.5
435.18396	4.0
436.19058	1.3
445.20612	1.8
447.22363	4.6
449.19678	4.9
450.20279	2.1
451.21970	1.1
459.17859	1.6
461.19827	3.5
462.24286	2.8
463.21744	5.3
464.22168	1.8
465.22775	8.2
472.19211	1.4
473.19681	3.9
475.21567	1.2
477.18701	1.6
478.24179	1.5
479.20779	3.3
487.21484	3.9
489.19250	2.2
491.20789	2.2
493.22238	30.5
494.22559	1.9
501.19296	6.5
505.18329	2.2
515.20782	7.0
516.21594	4.2
519.23596	2.1
521.25629	9.8
527.97552	1.1
533.21887	3.6
537.24908	2.2
547.23566	5.7
551.27435	10.4
552.26996	1.3
557.21564	1.3
561.21301	1.6
565.24457	25.0
566.25610	1.3
575.22888	8.9
576.23761	1.7
579.26044	17.6
580.26819	71.6
607.25543	41.8
608.25299	1.6
635.25104	31.9
639.28003	6.4
649.26556	14.1
667.27649	100.0
668.27777	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	667.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88742	0.9
67.05485	1.0
69.47713	5.6
69.48120	2.4
119.08535	0.9
129.51553	0.9
137.02528	1.2
146.65858	1.1
199.42795	0.9
202.83060	0.9
262.08209	1.1
346.38702	1.1
363.16132	2.3
376.17081	2.0
377.17642	7.4
378.18420	1.9
390.18713	1.8
391.19199	8.4
392.19980	6.2
405.21320	5.6
406.21585	2.4
407.22293	11.3
414.14371	2.2
417.21289	1.1
419.18155	7.4
420.19394	3.3
421.16205	1.7
431.18579	3.3
433.20319	2.8
434.21014	5.2
435.21854	12.3
436.18753	2.7
445.20279	2.7
447.17377	2.2
447.22775	1.7
448.22455	1.8
449.19879	2.0
451.21179	10.8
458.17053	1.3
459.17874	5.8
461.19675	4.0
463.25131	2.9
465.22745	3.3
466.19681	1.3
472.18988	1.2
473.20154	5.4
474.20367	3.7
479.20807	36.2
488.22168	1.4
489.23792	6.2
491.25043	1.3
493.22260	9.2
494.22983	3.7
501.19073	5.5
502.19757	3.8
505.18268	8.5
515.21057	5.4
516.21619	3.7
517.22394	90.9
518.22626	3.4
519.23651	1.6
521.25244	3.7
547.23456	3.2
549.25024	81.0
550.25183	2.6
565.24426	3.1
575.22888	9.7
576.23328	1.4
580.26508	3.6
593.23859	14.5
607.25580	7.1
608.26514	15.4
624.79169	1.4
635.25000	100.0
636.24860	3.2
666.42456	1.1
667.27454	88.2
667.45612	2.6
668.27911	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	668.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.8
55.05513	10.2
57.03445	4.0
57.07074	3.2
61.02951	3.3
67.05518	17.4
69.03436	8.1
69.07070	12.3
71.04973	5.3
71.52062	3.7
74.09405	2.3
74.09737	21.4
76.06489	2.1
79.05494	15.8
81.03410	6.0
81.07066	41.8
83.04975	7.0
83.08617	8.4
83.80207	2.0
85.02917	22.9
85.06570	2.8
85.45185	2.2
91.05486	19.2
93.07056	37.3
93.79608	2.1
95.04970	8.9
95.08622	66.9
96.02207	2.3
97.02882	6.8
97.06530	6.0
97.10170	5.1
101.06031	2.3
105.07041	43.5
107.04956	3.6
107.08611	73.9
109.02912	2.9
109.06523	6.1
109.10176	34.3
111.08092	10.2
117.07069	5.8
119.08596	59.2
121.06521	4.9
121.10152	44.5
123.04378	2.9
123.08089	5.8
123.11749	15.6
125.09641	26.9
127.03954	4.8
128.06190	2.7
129.05553	2.9
131.08580	29.3
133.09134	2.9
133.10149	55.2
135.08078	6.8
135.11710	20.4
137.06021	11.3
137.09673	4.1
137.13266	4.4
138.06326	2.7
139.07573	2.3
143.08548	10.4
145.04985	3.8
145.10138	49.1
147.04414	9.6
147.08029	2.8
147.11719	27.3
149.09712	3.5
149.13318	17.2
151.07594	4.8
153.09094	5.7
157.10130	10.2
158.10846	2.8
159.11707	38.6
161.09644	5.5
161.13278	23.2
162.07642	3.5
163.03932	6.3
163.11180	3.7
163.14857	18.5
167.10770	2.3
169.10136	4.9
171.11697	13.3
173.13275	47.9
175.14851	38.1
177.09206	3.0
177.12749	2.5
177.16405	29.5
180.08669	5.4
183.11794	3.6
184.12518	4.0
185.13295	10.2
187.13182	3.6
187.14844	65.4
187.16492	4.8
189.12825	2.9
189.16406	34.5
191.14343	35.7
191.17982	15.2
193.12169	2.1
193.15805	2.9
197.13300	2.9
199.14832	17.0
201.12550	2.5
201.16428	39.9
203.14334	19.8
203.17966	51.0
205.15907	82.5
205.19536	7.8
207.17433	2.9
209.15436	5.7
211.14876	2.5
213.16447	17.7
215.18004	20.5
217.15924	8.6
217.19417	3.1
219.14000	2.4
219.17477	10.7
221.15408	8.9
223.16948	7.1
225.16385	2.6
227.17955	4.2
229.15915	5.6
229.19530	3.8
233.19064	7.4
235.16966	9.0
241.19530	3.6
247.17033	16.9
249.18483	8.3
253.19525	3.4
255.21100	3.7
261.18597	7.5
267.21161	2.2
271.20633	2.4
281.22668	2.8
283.24167	2.6
293.22623	4.2
341.24948	5.8
367.28513	4.4
377.32080	4.6
379.33688	4.8
385.29529	6.1
389.32056	15.8
395.29419	6.9
395.33591	4.8
407.33151	80.0
409.34616	4.1
423.32510	14.2
425.34222	12.3
435.32654	46.5
440.40060	2.3
441.33643	7.9
443.35349	20.0
453.33664	100.0
471.34744	7.4
615.38617	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	669.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35654	0.5
50.76123	0.5
56.96568	0.7
57.03426	0.7
58.72200	0.5
61.02933	0.9
69.03420	2.0
71.51002	0.6
72.33229	0.4
73.02917	1.0
81.07059	0.5
84.96027	0.5
85.02911	4.3
89.79108	0.5
91.05524	0.7
97.02902	1.5
98.97591	3.4
109.06517	0.9
110.01357	0.6
110.97605	0.7
127.03951	0.8
128.98499	0.6
137.05962	4.4
137.80505	0.5
142.21696	0.4
143.00249	0.6
143.01938	0.7
145.04951	1.2
149.01350	0.6
149.16867	0.5
155.15683	0.5
158.99689	1.6
161.02937	0.7
173.02901	0.6
177.00731	0.8
177.04305	0.6
191.03954	0.8
200.04289	0.5
211.25845	0.6
219.01851	1.0
229.03831	0.6
237.02812	1.2
245.04941	0.7
250.06865	1.4
250.56927	0.5
253.03973	0.9
259.07739	0.6
261.02753	0.6
272.06717	1.0
281.07111	0.7
285.02863	0.7
327.03961	1.1
327.10004	1.4
335.09286	0.8
336.59891	0.5
338.11090	0.5
340.10333	2.0
353.08365	0.5
353.59448	1.1
362.09836	2.1
489.09348	0.8
498.15765	1.0
669.17920	100.0
670.18140	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	669.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
53.03948	3.3
55.05502	3.0
57.03432	2.2
59.62016	0.9
61.02913	0.8
67.05504	3.4
69.03438	7.6
69.07084	1.5
70.77840	0.8
71.04991	1.0
71.19457	1.4
75.04472	2.8
77.03938	1.1
79.05494	9.8
80.06310	0.8
81.03428	7.6
81.07050	4.8
83.04970	1.1
85.02897	7.4
89.44194	0.9
91.05484	14.1
93.07047	63.6
94.04202	3.2
95.04967	5.3
95.08604	9.8
97.02895	3.5
97.06522	1.6
99.04450	1.3
103.05470	5.3
105.04538	1.6
105.07031	7.8
105.07694	1.1
107.04961	2.3
107.08604	4.7
108.05742	1.7
109.02901	2.9
109.06504	1.9
109.10161	3.1
111.04436	1.7
111.08099	3.3
113.90183	0.8
115.05439	1.4
117.07037	2.1
119.08585	10.5
121.06572	2.0
121.10149	71.2
122.03677	3.8
123.08073	2.3
123.11720	0.9
125.05993	1.0
127.03886	1.9
128.06244	2.5
129.07018	4.8
130.92284	0.8
131.04938	12.4
131.08588	5.0
133.06456	1.4
133.07510	0.9
133.10172	1.8
135.04422	3.2
135.08014	1.1
136.05258	1.5
137.05984	100.0
139.11264	1.1
141.07016	1.0
143.08609	2.0
145.06497	2.8
147.04436	1.1
147.08040	1.8
149.05978	1.4
149.09628	30.2
151.03995	1.1
151.07547	42.7
155.08559	1.1
157.02840	1.2
157.06458	4.3
159.08063	1.6
160.05223	1.0
161.05975	5.4
163.03897	1.8
163.07538	9.3
165.05522	2.2
165.09090	3.9
167.10680	29.5
169.10129	1.6
171.08084	2.7
174.06775	3.9
175.07536	10.1
175.11220	1.1
177.09178	2.2
179.07050	2.1
183.08018	1.2
187.07545	4.8
189.05478	5.2
189.09109	19.9
191.07042	2.9
191.10658	1.4
195.08105	1.2
197.09659	2.5
197.13293	1.0
201.09123	7.0
203.07019	3.0
203.10696	3.3
205.08633	1.9
213.09270	0.9
215.10670	1.7
217.08623	1.7
225.12759	2.8
227.17599	0.8
229.08688	1.3
229.12236	7.4
233.08113	1.0
237.08977	1.2
241.08556	0.9
247.09639	7.3
253.12170	1.4
255.13892	0.9
257.15402	10.1
263.10672	1.2
267.13831	2.5
283.15356	2.3
285.14838	8.1
291.09930	1.9
293.13995	1.8
305.11780	1.5
311.14908	3.1
321.11002	1.0
323.12811	1.5
325.14493	1.1
337.14377	2.6
341.13800	8.2
353.13870	3.2
355.15332	4.8
359.14993	5.7
365.13824	2.0
371.15076	5.3
383.15039	4.4
397.16638	1.3
409.16397	1.4
411.18188	5.7
423.17960	1.7
449.15945	1.2
451.21555	5.8
461.22986	1.4
467.17017	1.9
479.24289	9.9
489.22757	8.0
507.23740	14.9
535.80505	0.8
651.27911	3.7
666.93335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05529	1.2
70.96822	2.0
79.68071	0.8
95.08614	1.0
95.20914	1.0
97.06549	0.8
105.07020	1.1
107.08577	1.0
113.61860	0.8
194.67776	0.9
261.13910	1.1
303.69424	1.0
375.16522	1.1
388.17166	1.3
389.17459	1.2
400.17642	0.9
401.17685	1.9
402.18256	2.7
404.20517	1.5
405.21271	1.7
413.17419	1.8
414.18628	1.2
415.19269	2.5
417.20724	3.1
419.18564	2.8
429.17010	2.0
430.17703	2.3
431.18509	2.5
433.20309	4.5
434.21109	1.4
436.22861	1.4
443.18430	2.0
444.19403	3.2
445.20239	12.6
446.21475	1.3
447.18192	3.7
448.23038	1.8
451.21390	1.1
457.24982	1.0
459.22250	8.6
460.22821	16.1
461.19073	1.8
461.24188	1.4
462.20493	2.8
471.22318	1.3
472.22900	2.8
473.24280	4.9
474.25024	8.8
475.21033	3.3
476.22458	4.9
485.19617	1.8
486.20438	2.5
487.21146	3.4
488.22229	5.0
489.22733	3.5
490.19388	1.8
491.20255	1.5
499.21112	4.5
500.21979	3.6
501.23401	8.5
502.24081	1.7
503.21133	5.3
504.21570	1.4
507.24051	4.4
509.25592	2.0
513.19153	1.0
516.22473	1.1
517.22290	1.6
518.19189	16.0
519.20477	1.0
521.25122	1.3
527.20660	2.5
528.21307	1.5
529.22546	4.5
531.24207	12.3
532.24695	1.5
533.25623	8.3
534.22528	1.8
535.23358	2.2
546.22443	1.1
549.24939	5.7
559.23639	1.7
561.25043	50.8
562.21515	2.4
563.23016	3.6
577.24286	3.6
581.27386	1.5
587.22937	5.8
593.27582	9.7
605.23981	100.0
606.23969	2.8
609.27142	11.0
619.25464	8.3
637.26624	65.3
638.27039	2.1
669.29443	5.1
669.40015	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74189	1.8
53.03949	17.5
53.30427	1.7
55.01847	4.2
55.05510	3.4
57.03421	4.6
61.02911	5.2
65.03951	1.8
67.05498	9.7
69.03435	17.9
69.07039	1.9
70.06581	6.8
71.04984	5.1
71.13293	1.7
71.51723	2.6
73.02884	5.0
79.05476	5.2
81.03426	26.2
81.07062	15.3
83.04950	4.5
85.02907	49.9
87.04453	1.9
91.05470	5.5
93.07040	2.9
95.04972	32.0
95.08575	4.9
97.02305	3.2
97.02901	55.5
99.04443	9.3
103.05504	2.4
105.06995	2.5
107.04948	25.0
109.02890	39.1
109.06470	2.3
109.08380	1.6
110.09663	1.5
111.04442	7.3
113.05999	3.1
115.03916	4.0
115.05447	7.6
117.03311	1.9
117.06992	2.5
119.04952	4.3
122.03642	6.4
123.03585	3.4
123.04433	59.0
123.11694	8.0
125.02455	2.5
127.03930	33.7
128.06242	1.8
129.07002	6.3
131.04938	2.7
133.02853	22.9
133.06435	3.5
135.04475	2.7
135.11568	2.0
135.85600	1.6
137.05984	100.0
141.05455	2.8
143.05020	8.6
144.05714	2.7
145.04970	14.9
145.06497	4.1
147.04369	4.9
149.05939	3.4
151.03908	78.3
151.07504	2.2
151.11197	1.9
153.05486	11.1
157.06499	7.7
160.05196	13.5
161.05965	5.7
161.09624	1.9
163.03886	8.7
163.07542	2.5
165.05476	4.3
167.03407	2.8
167.07004	7.9
169.05045	9.7
169.06210	2.0
169.12175	4.2
172.05255	2.7
173.05969	5.5
174.06653	2.9
175.07559	78.0
177.05557	3.8
179.07005	3.7
181.06540	1.8
185.05911	2.4
186.03127	3.4
187.05991	16.2
187.07544	34.0
189.07230	2.0
189.09125	8.5
197.13078	1.7
201.05510	19.2
203.07059	5.0
205.06743	3.3
205.08597	17.2
207.08041	5.0
215.07149	2.3
217.06653	2.5
217.08598	5.5
219.08028	4.0
220.05209	8.5
221.06013	3.1
233.06009	3.9
234.06857	4.4
235.07518	10.8
235.09708	9.2
236.08325	2.3
237.05490	4.2
247.07614	3.9
248.04514	2.9
248.08421	3.8
249.05481	4.0
250.06271	4.3
251.06865	3.9
252.07741	6.0
261.05246	2.4
261.09195	2.3
262.06357	2.6
263.07007	12.5
263.10623	2.1
264.07724	3.4
265.08566	2.8
267.10327	3.7
270.08789	4.0
271.09586	5.6
279.06702	2.4
279.09988	4.6
280.07196	5.4
283.09720	2.4
285.73871	1.7
290.05710	2.4
291.10153	7.7
293.04874	1.7
293.08078	6.6
295.09457	7.0
296.10330	2.9
297.11154	2.4
305.08081	2.3
307.09619	2.9
308.06638	2.7
310.26620	1.8
311.12714	6.0
322.08435	4.5
323.09103	8.2
323.12787	9.1
325.10638	3.5
326.10687	2.1
327.12296	4.0
337.07230	1.7
337.10623	10.9
339.12650	2.7
341.14014	12.1
351.08600	5.3
353.10147	14.5
354.10812	3.2
355.11755	75.0
355.16132	4.3
357.13275	4.4
373.12851	2.2
447.07126	1.9
499.15570	2.8
517.16553	4.0
543.26758	1.7
671.25439	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	671.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74189	1.8
53.03949	17.5
53.30427	1.7
55.01847	4.2
55.05510	3.4
57.03421	4.6
61.02911	5.2
65.03951	1.8
67.05498	9.7
69.03435	17.9
69.07039	1.9
70.06581	6.8
71.04984	5.1
71.13293	1.7
71.51723	2.6
73.02884	5.0
79.05476	5.2
81.03426	26.2
81.07062	15.3
83.04950	4.5
85.02907	49.9
87.04453	1.9
91.05470	5.5
93.07040	2.9
95.04972	32.0
95.08575	4.9
97.02305	3.2
97.02901	55.5
99.04443	9.3
103.05504	2.4
105.06995	2.5
107.04948	25.0
109.02890	39.1
109.06470	2.3
109.08380	1.6
110.09663	1.5
111.04442	7.3
113.05999	3.1
115.03916	4.0
115.05447	7.6
117.03311	1.9
117.06992	2.5
119.04952	4.3
122.03642	6.4
123.03585	3.4
123.04433	59.0
123.11694	8.0
125.02455	2.5
127.03930	33.7
128.06242	1.8
129.07002	6.3
131.04938	2.7
133.02853	22.9
133.06435	3.5
135.04475	2.7
135.11568	2.0
135.85600	1.6
137.05984	100.0
141.05455	2.8
143.05020	8.6
144.05714	2.7
145.04970	14.9
145.06497	4.1
147.04369	4.9
149.05939	3.4
151.03908	78.3
151.07504	2.2
151.11197	1.9
153.05486	11.1
157.06499	7.7
160.05196	13.5
161.05965	5.7
161.09624	1.9
163.03886	8.7
163.07542	2.5
165.05476	4.3
167.03407	2.8
167.07004	7.9
169.05045	9.7
169.06210	2.0
169.12175	4.2
172.05255	2.7
173.05969	5.5
174.06653	2.9
175.07559	78.0
177.05557	3.8
179.07005	3.7
181.06540	1.8
185.05911	2.4
186.03127	3.4
187.05991	16.2
187.07544	34.0
189.07230	2.0
189.09125	8.5
197.13078	1.7
201.05510	19.2
203.07059	5.0
205.06743	3.3
205.08597	17.2
207.08041	5.0
215.07149	2.3
217.06653	2.5
217.08598	5.5
219.08028	4.0
220.05209	8.5
221.06013	3.1
233.06009	3.9
234.06857	4.4
235.07518	10.8
235.09708	9.2
236.08325	2.3
237.05490	4.2
247.07614	3.9
248.04514	2.9
248.08421	3.8
249.05481	4.0
250.06271	4.3
251.06865	3.9
252.07741	6.0
261.05246	2.4
261.09195	2.3
262.06357	2.6
263.07007	12.5
263.10623	2.1
264.07724	3.4
265.08566	2.8
267.10327	3.7
270.08789	4.0
271.09586	5.6
279.06702	2.4
279.09988	4.6
280.07196	5.4
283.09720	2.4
285.73871	1.7
290.05710	2.4
291.10153	7.7
293.04874	1.7
293.08078	6.6
295.09457	7.0
296.10330	2.9
297.11154	2.4
305.08081	2.3
307.09619	2.9
308.06638	2.7
310.26620	1.8
311.12714	6.0
322.08435	4.5
323.09103	8.2
323.12787	9.1
325.10638	3.5
326.10687	2.1
327.12296	4.0
337.07230	1.7
337.10623	10.9
339.12650	2.7
341.14014	12.1
351.08600	5.3
353.10147	14.5
354.10812	3.2
355.11755	75.0
355.16132	4.3
357.13275	4.4
373.12851	2.2
447.07126	1.9
499.15570	2.8
517.16553	4.0
543.26758	1.7
671.25439	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	671.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05513	1.5
57.03440	0.7
64.61433	0.6
66.05149	0.6
67.05498	2.0
68.57124	0.6
69.03417	2.0
69.07064	1.3
69.97825	2.4
71.04994	1.5
78.17092	0.6
79.05492	3.2
81.03409	4.5
81.07043	3.3
83.04997	0.9
83.08620	0.9
84.04424	0.6
85.02901	2.4
89.03898	3.4
91.05492	2.3
93.07037	1.9
94.06578	1.3
95.04964	1.0
95.08614	1.8
97.02891	2.7
97.06506	2.9
105.07015	2.1
107.04972	1.2
107.08571	1.6
108.08117	5.5
109.02876	2.0
109.10146	2.2
113.86511	0.6
117.03397	5.9
119.08611	1.5
121.10123	1.4
125.09652	0.8
127.03892	1.9
131.08571	1.1
133.10127	0.9
135.04425	11.9
135.11676	0.8
136.07578	6.9
137.09654	0.9
145.02853	10.5
145.10121	1.0
147.11600	1.1
149.05995	0.8
151.07439	0.7
157.10097	0.7
163.03915	100.0
163.11241	0.7
164.07069	0.7
165.09103	1.6
167.06982	0.7
181.04968	2.8
207.13878	0.8
215.10681	0.7
233.11761	2.0
235.08682	1.1
236.09344	0.7
237.10274	1.6
247.08661	0.8
248.09544	1.5
249.10213	2.5
259.09665	1.9
263.08173	1.3
264.08963	2.2
265.09869	3.1
266.10529	1.0
276.08917	2.4
277.09708	4.0
278.10562	1.1
279.11383	2.1
283.15332	0.7
289.09698	0.7
291.08005	0.6
291.11273	1.6
293.09268	1.4
293.12756	1.0
304.08389	0.6
305.09320	1.3
307.08029	2.1
307.11154	3.1
312.35904	0.7
315.13458	1.5
319.10727	5.2
325.09088	7.4
326.12958	1.1
329.17548	1.3
335.10312	0.7
338.12851	1.0
339.13959	1.0
340.14587	0.8
341.11584	0.8
342.16141	1.3
347.10168	2.0
351.09720	1.0
353.11588	2.2
354.12363	2.9
355.13187	1.0
356.13959	2.4
365.11285	4.9
366.12604	1.1
367.13257	1.2
368.13986	2.9
369.14859	0.8
370.15564	1.7
380.14005	1.1
382.11740	2.2
382.15594	1.8
384.13336	1.5
386.14972	1.0
395.12796	0.8
396.13391	3.9
398.15085	3.7
399.15976	1.0
400.16583	2.9
410.14896	2.3
411.16010	1.0
412.16867	1.7
414.13992	1.0
414.18771	1.0
421.15042	0.8
426.14368	1.4
428.16135	2.5
429.16650	0.6
438.14545	1.5
440.16031	2.2
444.19266	0.9
452.12241	1.5
456.16141	1.3
458.17380	1.0
459.27762	0.7
470.13562	2.3
472.18909	0.7
484.15042	1.2
486.17099	1.4
487.17844	0.8
488.18219	2.4
498.16818	0.8
516.17749	15.6
517.18445	13.5
518.18921	2.0
548.20331	78.0
549.20526	2.0
561.21429	0.8
563.22833	1.1
589.20935	4.3
607.12787	1.1
607.21906	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	671.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45122	0.9
53.03951	2.3
55.01866	1.9
55.05516	18.4
57.03440	1.7
57.07080	12.3
61.02938	1.7
67.05511	26.5
69.03432	4.5
69.07075	51.1
71.04987	2.8
71.08636	5.7
71.52161	1.5
73.06571	1.6
79.05487	10.1
81.03423	4.3
81.07063	90.0
83.04967	1.1
83.08157	2.1
83.08627	32.2
85.02909	13.9
85.06556	10.8
85.10174	1.5
89.03938	1.2
91.05476	3.9
93.07047	14.8
95.04945	2.0
95.08617	100.0
97.02902	5.2
97.06564	2.6
97.10178	20.6
99.08111	8.2
105.07037	3.0
107.04977	1.8
107.08601	14.0
109.02885	3.6
109.06500	1.2
109.10168	63.0
111.08070	3.7
111.11732	16.6
113.09653	2.5
115.11264	1.0
117.03416	2.0
119.08556	2.1
121.06525	1.1
121.10162	9.6
123.08085	1.2
123.11719	37.0
125.13271	7.4
127.03876	4.8
127.11214	6.8
129.12799	3.3
131.08551	1.4
132.35112	1.1
133.10147	1.7
135.04399	2.1
135.11691	8.6
137.05978	9.7
137.13275	15.4
139.14821	2.1
143.14314	6.7
145.02892	2.2
145.04958	2.5
147.04475	1.5
147.11633	1.4
149.13272	14.3
151.07541	2.4
151.11215	1.4
151.14835	30.5
153.12753	4.3
153.16307	1.2
155.14328	2.0
157.15906	2.8
161.06012	1.0
163.03937	13.8
163.06050	1.2
163.14845	9.3
165.05510	1.1
165.16415	13.5
167.07135	1.1
167.14313	1.3
169.12253	3.6
169.15895	4.9
171.13829	2.1
173.15460	2.3
177.16370	3.7
179.18018	5.8
181.04822	1.1
183.17459	3.1
187.13359	1.4
189.09027	1.3
191.17973	2.5
193.19554	2.7
197.13287	1.7
197.18971	2.7
199.14836	1.1
199.20551	2.0
205.19539	3.9
211.20657	2.2
219.21089	3.2
221.22774	1.0
223.20583	1.5
233.11896	1.3
237.22176	2.1
239.23790	2.2
241.21696	1.3
249.25700	2.6
267.26682	1.4
275.27328	14.1
281.28421	9.7
293.28424	37.9
299.29678	1.4
311.29474	29.9
329.30591	15.6
341.13770	1.4
361.09314	1.2
401.30710	1.2
404.41544	1.1
437.32394	1.2
443.24194	1.4
547.17499	1.9
606.68787	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09224	0.2
53.03944	0.4
57.03444	1.6
63.02374	0.3
65.80028	0.2
69.03437	1.3
69.79241	0.4
69.79636	0.3
71.05000	10.7
73.02913	0.2
74.39005	0.2
75.04487	0.4
76.36552	0.2
79.05486	0.6
79.62969	0.2
81.03417	0.5
83.05000	1.0
85.02912	12.1
85.06460	0.2
87.04449	0.2
89.03926	1.8
90.37210	0.2
95.05006	0.2
97.02898	3.6
99.04443	0.5
101.02371	0.2
107.04969	2.0
109.02845	0.4
111.04446	0.6
115.09449	0.2
117.03387	3.7
119.04945	0.2
122.35004	0.2
123.04441	0.7
127.03920	0.4
128.59831	0.2
129.05498	3.7
129.07025	0.2
130.50252	0.2
131.04832	0.2
135.04422	10.2
137.05992	0.5
145.02861	8.1
145.04013	0.4
147.04440	0.2
147.06531	1.4
149.05949	0.4
151.86470	0.2
153.05504	2.0
163.03912	100.0
164.04239	1.0
165.05537	0.2
172.05908	0.2
177.05463	0.5
181.04944	1.6
184.85182	0.2
189.05489	0.2
201.05489	0.2
245.08150	0.3
261.07703	0.2
273.07571	0.4
291.08691	0.5
307.08041	0.5
309.09756	1.3
325.09201	17.5
326.09506	0.4
337.20294	0.2
367.60385	0.2
387.17899	0.2
459.12933	0.4
471.15036	0.5
672.25690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37098	0.2
52.32465	0.2
52.79646	0.1
53.03947	0.3
53.82338	0.2
56.61587	0.2
57.03443	1.5
64.12027	0.2
69.03436	0.9
70.90809	0.5
71.01370	0.2
71.04999	8.6
72.37429	0.2
73.02899	0.2
75.04452	0.2
75.51923	0.2
77.34391	0.2
79.05492	0.8
81.03426	0.4
83.04983	1.4
85.02909	10.2
87.04498	0.3
89.03922	2.7
91.05489	0.3
97.02899	2.1
99.04452	0.5
100.56908	0.2
107.04980	2.1
109.02883	0.2
111.04444	0.9
117.03382	3.8
117.04156	0.4
123.04423	0.6
125.05998	0.4
127.03866	0.4
129.05479	3.0
131.04938	0.3
135.04425	10.5
137.05986	0.9
137.44615	0.2
145.02853	7.2
145.25301	0.2
147.06526	1.3
149.05966	0.4
153.05475	2.8
161.05928	0.2
163.03911	100.0
164.04254	0.8
164.09210	0.7
165.05519	0.3
167.07089	0.4
177.05540	1.1
180.08340	0.2
181.04982	1.1
183.06604	0.5
189.05511	0.3
201.05466	0.6
202.05862	0.3
203.07135	0.3
205.04947	0.3
207.06557	0.2
213.05650	0.2
219.06564	0.2
231.06358	0.2
234.28474	0.2
245.08247	0.5
263.09274	0.2
273.07544	0.6
281.10287	0.3
291.08600	0.3
298.18237	0.2
307.08014	0.3
309.09589	1.5
325.09174	5.1
396.56796	0.2
435.13040	0.3
459.13034	0.3
672.28528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11649	0.2
51.52398	0.2
53.03947	0.9
55.01855	0.4
55.05518	0.3
57.03435	0.7
61.02905	0.3
65.03944	2.8
67.05495	0.4
69.03432	2.3
69.07069	0.4
70.42934	0.5
71.01344	0.3
71.05003	2.0
73.02898	0.3
73.31711	0.2
79.05469	0.4
81.03423	6.0
81.07047	0.3
85.02907	4.7
91.05496	0.3
94.04223	0.2
95.04971	5.7
97.02897	4.8
97.06533	4.1
98.21538	0.2
99.04507	0.9
102.89714	0.2
109.02886	2.5
109.10149	0.3
111.04449	1.6
119.04967	0.2
121.02869	100.0
122.03215	0.6
127.03920	2.4
129.05479	0.6
137.04906	0.3
137.05983	7.7
139.03906	17.0
145.04994	0.9
145.05983	0.2
145.06320	0.1
146.07193	0.3
147.04443	0.2
147.06621	0.2
149.05972	0.5
151.07526	1.3
163.03931	0.6
165.05562	0.2
169.06476	0.2
177.05458	0.3
177.09100	0.8
181.04993	0.3
189.09157	0.3
215.10649	0.5
233.11739	4.2
237.11229	0.3
247.06033	0.6
249.99812	0.2
265.07080	7.9
274.09683	0.2
283.08133	20.4
287.12677	0.2
305.11768	0.6
311.16553	0.3
323.12817	0.3
329.17459	2.9
337.14447	0.4
347.18683	0.8
355.15387	2.0
373.16412	2.0
405.92206	0.2
440.47052	0.2
550.22516	0.3
672.23895	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.9
55.01879	7.7
55.05522	8.3
57.03444	10.1
59.04991	3.1
61.02934	8.0
65.03928	2.1
66.21156	1.4
67.05506	14.9
69.03428	16.4
69.07058	4.5
70.06585	1.6
70.76241	3.5
71.04992	4.6
73.02910	4.4
79.05490	23.0
81.03429	18.4
81.07063	20.6
83.01350	4.3
83.04984	15.5
83.08630	5.8
85.02910	100.0
87.04445	3.2
89.54633	1.7
91.03938	6.0
91.04977	2.7
91.05487	27.9
91.85093	1.7
93.07049	22.6
95.04973	7.7
95.08620	7.9
97.02897	34.6
97.06528	4.6
99.04443	5.6
99.08080	2.7
102.27930	1.5
105.07024	14.5
107.04964	14.7
107.08591	6.4
109.02877	8.0
109.06522	4.2
109.10158	3.4
111.07999	1.4
117.07017	3.9
117.98151	1.4
119.08588	12.7
121.06497	4.5
121.10138	5.4
123.08077	4.0
127.03928	23.9
129.07013	7.0
131.08582	7.9
133.10129	12.2
134.35336	1.4
135.08031	2.0
135.11716	5.0
144.06592	3.8
145.04971	40.0
145.10149	11.1
146.07285	2.6
147.04428	2.3
147.08049	5.3
147.11681	7.6
157.10127	8.2
161.09683	8.4
163.03911	4.3
163.06033	14.2
163.11185	71.5
171.08078	2.2
173.09592	4.6
175.11218	4.2
177.12805	2.0
185.09630	1.8
189.12762	4.8
191.10684	2.3
193.12268	5.3
203.14299	40.5
209.11702	2.5
215.14407	7.9
245.29436	1.4
253.15891	1.7
265.14352	2.2
267.15952	36.7
269.19052	4.5
275.62802	1.6
283.15424	27.2
285.22110	26.1
313.21573	21.5
315.19547	3.5
324.12787	2.5
331.22672	28.8
416.24606	1.7
457.25745	5.9
475.26978	71.9
632.59906	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01854	1.2
55.05518	7.4
57.03441	5.3
57.07079	34.3
61.02930	14.3
64.95354	0.5
65.03944	0.6
67.05507	12.5
69.03428	2.0
69.07072	8.5
71.04987	1.3
71.08633	30.2
73.02915	5.1
75.04480	2.1
78.40277	0.5
79.05492	4.4
81.03419	5.4
81.07061	18.8
82.03744	0.8
83.04993	0.7
83.08624	11.4
85.02907	19.2
85.06525	1.4
85.09665	0.8
85.10186	16.7
89.06039	0.9
91.03420	1.0
91.03960	14.5
91.05487	4.3
92.05787	0.8
93.07063	3.3
94.07377	0.8
95.04958	2.3
95.08611	23.9
96.05320	0.6
96.08918	0.8
97.02886	8.4
97.10167	7.6
99.04466	1.0
99.11721	1.3
101.06901	0.6
103.07563	0.6
105.07023	1.9
107.04973	1.2
107.08580	1.4
108.95148	0.7
109.06494	1.0
109.10160	12.4
111.04462	0.6
111.11691	1.1
115.03928	1.0
117.06941	1.0
119.08569	2.4
121.06472	1.0
121.10141	1.7
122.10433	0.9
123.04472	0.7
123.11697	5.7
125.09648	0.7
125.13263	1.1
127.03909	5.7
129.06990	1.4
131.08551	0.9
133.10156	0.8
135.11731	1.1
137.13231	1.5
139.14748	0.7
143.08524	0.9
145.04964	7.0
145.10136	1.1
146.10504	0.7
147.11719	1.0
151.14786	0.8
163.04738	1.2
163.06039	14.6
165.16383	0.9
173.05864	0.7
173.79573	0.7
178.07347	0.8
189.01010	0.6
214.73137	0.6
221.22652	1.1
239.23686	20.2
257.24789	4.2
301.14450	1.0
313.27371	100.0
314.27783	1.5
329.17151	0.6
331.28415	47.0
336.26111	1.2
376.18570	0.6
472.72067	0.7
636.39398	2.4
640.28119	2.1
654.40417	3.1
672.31305	1.1
672.41602	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	672.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.9
55.05517	35.1
55.55526	2.3
57.03448	14.1
57.07079	35.8
59.04998	3.9
65.03966	2.8
65.26693	2.4
67.05511	64.4
69.07071	13.5
69.74095	4.5
69.74487	7.1
71.08633	29.4
73.02934	2.8
79.05492	19.1
79.88961	2.0
81.03414	8.9
81.07064	39.7
83.04995	6.2
83.08624	23.6
85.02896	7.7
85.10172	13.3
87.04480	7.0
89.06044	6.6
91.05492	10.2
93.07050	9.9
95.04964	4.2
95.08612	31.4
97.06505	6.3
97.10192	19.2
98.10874	2.4
105.07051	4.7
107.04914	3.1
107.08598	9.5
109.10164	56.1
111.08052	2.8
114.40019	2.2
119.08567	5.7
123.11693	3.1
125.09633	15.9
129.05470	4.3
133.08572	3.3
135.11772	3.5
143.10721	3.5
145.10138	5.7
152.52306	2.5
153.12798	2.6
155.10577	3.2
163.11189	9.6
166.23599	2.2
173.11760	16.7
181.12294	3.9
191.10706	3.5
199.13289	9.1
209.11768	8.1
209.19221	2.8
227.12735	6.3
229.14378	42.3
239.23676	2.8
257.24811	3.6
267.15884	2.9
283.15561	3.2
301.16501	13.1
313.27402	100.0
387.04932	2.4
399.23917	14.3
455.37152	3.8
467.37366	21.6
480.12109	2.4
539.39386	7.1
615.60663	3.1
617.85358	2.7
637.46576	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	673.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.9
58.13028	0.5
61.02942	1.0
69.03425	2.2
71.51289	0.6
73.02928	1.1
79.05488	0.8
81.03429	1.2
82.99863	0.6
85.02908	5.9
91.03935	1.0
91.05486	0.7
97.02887	2.6
98.97590	5.7
101.00890	5.9
105.07046	1.5
109.02893	0.8
110.97614	0.8
113.00838	1.0
115.02423	1.1
116.98611	1.6
119.01923	7.7
119.04927	2.0
121.06471	0.9
127.02454	1.0
127.03946	2.2
128.98599	0.9
131.01886	3.0
133.03452	1.3
135.04431	0.7
137.06006	0.8
143.00211	1.4
143.01906	10.5
145.03532	3.9
145.04950	2.1
147.01331	1.0
147.04402	3.7
153.03976	0.9
155.01874	2.5
157.03476	1.5
158.99664	1.6
161.01202	0.5
161.01439	0.7
161.02982	10.8
161.04366	1.1
163.02711	0.7
163.03860	3.1
163.06015	4.0
165.05467	1.9
167.01936	0.7
169.03412	1.0
170.99660	1.0
171.05095	3.1
173.02934	2.8
173.06512	0.8
175.03972	1.8
177.00720	1.3
177.04030	1.1
179.05576	1.6
181.03487	4.4
181.07095	3.5
183.04959	0.6
185.02951	2.4
185.06583	0.6
189.00699	1.3
189.03983	3.0
191.03961	1.1
193.04993	12.6
195.05052	2.6
197.01213	1.6
197.02974	1.3
197.06598	2.5
199.04539	4.3
199.08189	2.3
201.00760	1.8
203.03983	5.6
203.05542	0.7
205.03543	2.7
205.07130	0.6
207.05037	11.6
209.06647	0.8
215.02223	1.7
219.01805	2.6
221.03117	0.6
221.05002	9.3
223.02681	0.9
223.04575	6.6
223.08121	1.0
225.06096	7.1
229.03555	1.3
231.05052	1.8
233.02995	2.4
233.06747	0.7
235.04532	1.5
237.02852	2.5
237.06113	1.4
239.07701	0.9
241.03609	1.4
241.05797	3.2
243.01822	0.8
243.07254	3.4
245.05148	1.9
247.04515	4.9
249.06061	4.2
251.04021	10.9
253.05453	0.9
255.03932	0.6
257.03030	1.3
259.04694	2.2
261.02826	1.6
265.05643	3.9
267.07150	4.5
269.05200	3.3
273.08179	1.0
275.03821	6.1
277.05557	0.8
279.03958	1.1
279.07126	1.0
281.07156	0.7
285.08252	1.6
291.03864	0.9
291.07089	0.9
293.05066	28.0
297.08252	0.8
303.03864	2.1
303.07263	1.7
307.06601	0.9
309.08414	1.7
311.06134	100.0
311.56927	0.6
312.06390	2.0
313.06146	0.6
323.06229	0.9
325.07690	12.2
327.03885	1.9
328.04547	0.8
329.07193	13.7
334.07675	3.5
343.08759	1.9
347.11920	0.9
348.09393	0.6
351.09323	4.4
353.07196	42.0
353.59384	0.6
362.09674	2.0
369.10294	5.6
371.08441	5.2
373.07983	1.8
377.07538	0.8
387.11206	0.8
394.09854	1.0
395.08466	3.3
403.09329	1.1
413.09338	35.8
414.09723	1.2
417.10880	1.7
427.11008	1.9
429.07108	1.4
431.10410	26.2
432.10577	0.9
445.12045	1.4
454.11679	1.2
579.15424	2.4
597.16711	30.6
598.16583	1.6
655.17047	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	673.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62704	0.4
61.67165	0.4
69.22884	3.9
79.05561	0.6
79.12621	0.4
80.06303	0.4
81.07123	0.6
91.05547	0.4
91.38903	0.4
98.21447	0.8
105.07140	0.6
106.51569	0.4
113.78873	0.4
115.64822	0.4
399.14813	0.9
400.15656	1.6
408.12344	1.1
409.13266	0.8
410.14331	1.0
411.15109	0.8
412.15781	0.6
413.16275	1.6
414.17102	2.0
420.12897	0.4
421.13223	1.5
422.13861	4.5
423.14615	5.5
424.15533	1.9
425.16846	1.0
427.17850	1.7
428.18686	2.7
429.18512	0.5
435.14517	2.9
436.15552	4.7
437.16205	11.7
438.17493	2.5
439.18307	1.0
441.15686	1.7
449.16638	2.1
450.17612	3.3
451.18414	6.6
452.19272	3.1
453.15182	0.7
454.17850	0.6
455.17871	3.8
456.18137	2.1
457.16785	0.5
459.16202	0.5
461.16513	0.4
463.13864	2.2
464.14539	3.5
465.15649	4.1
465.20206	2.3
466.16275	1.7
466.20715	1.4
467.17154	3.1
468.15384	0.7
469.14542	2.2
470.15970	1.5
477.15759	1.0
478.16449	3.9
479.17389	4.8
480.18143	5.4
481.19934	1.9
482.15894	1.2
483.16199	3.7
484.16916	3.1
492.18658	0.5
493.19101	10.2
494.16071	3.2
495.16367	4.8
496.17737	2.4
497.15033	0.5
498.15277	3.2
506.16177	1.7
507.16992	2.2
508.17490	6.3
509.18503	4.8
510.19095	1.8
511.16809	0.8
512.16528	8.9
512.22778	0.5
513.17456	0.7
521.18311	12.4
522.16083	4.7
524.16931	0.6
525.21814	2.9
526.15540	1.7
538.18457	0.8
539.19128	2.5
543.22754	1.5
549.17975	1.1
553.20862	24.8
554.20752	0.7
557.20538	0.6
571.21680	2.3
581.20331	46.3
582.20886	1.7
585.23553	1.5
594.24023	0.6
599.21399	7.5
609.19641	0.8
613.22992	22.1
614.23151	12.2
617.26263	0.7
622.22974	3.1
641.22467	100.0
642.22736	3.6
645.25586	6.2
673.24976	35.0
674.25616	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91552	0.5
51.34650	0.5
55.05499	0.6
61.63225	0.4
62.89035	0.4
63.82958	0.5
67.05499	0.9
69.07082	0.6
79.05487	0.6
81.07050	1.0
82.65562	0.5
385.13071	0.6
398.13437	0.5
399.14597	0.8
400.15509	1.8
407.11621	0.7
408.12170	0.8
409.12866	1.1
410.14722	1.2
411.15247	1.0
412.15414	0.9
413.16220	2.5
414.16782	1.1
421.12857	1.4
422.13843	4.2
423.14679	5.1
424.15277	2.1
425.16599	0.8
426.17474	0.6
427.17697	1.9
428.18420	2.6
429.18320	0.8
435.14520	3.3
436.15298	5.2
437.16306	10.6
438.17557	2.4
439.18063	0.9
441.15601	2.0
449.16269	1.1
450.17285	3.0
451.18326	6.4
452.18964	3.7
453.15906	0.7
455.17868	2.7
456.17651	2.2
463.13776	1.1
464.14410	3.1
465.15494	5.1
465.19968	2.1
466.16183	1.7
466.20810	0.7
467.17209	3.5
468.19025	0.7
469.14609	2.6
470.15747	1.1
478.16519	3.4
479.17682	3.4
480.18057	5.5
481.19427	2.5
482.15906	0.9
483.16620	3.6
484.17285	2.7
492.17844	1.0
493.18958	10.3
494.15796	3.2
494.19507	1.7
495.16458	4.8
496.17307	2.1
497.14542	0.8
498.15280	2.7
506.15250	0.6
507.16641	2.0
508.17636	6.5
509.18289	4.4
510.19510	1.0
511.16025	2.1
512.16724	8.2
521.18335	12.4
522.15753	3.4
523.15649	1.1
524.17419	1.0
525.22174	2.8
526.15021	1.9
538.18225	0.7
539.18829	2.4
543.21924	1.3
549.17914	1.4
552.19385	0.7
553.20892	21.1
554.20325	0.7
557.20508	0.5
559.35693	0.6
571.22229	2.3
581.20355	46.3
582.20490	2.1
583.77979	0.6
585.23584	2.4
594.23474	1.1
599.21411	7.0
609.19513	1.0
613.22980	19.6
614.23273	11.5
617.25928	1.0
622.22961	4.1
641.22485	100.0
642.23126	3.0
645.25525	4.8
673.24707	30.2
674.24792	1.1
686.81274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80883	0.1
57.07063	0.2
67.05480	0.2
69.55333	1.1
77.51305	0.1
81.07060	0.2
89.06057	0.9
93.07050	0.2
97.37960	0.2
133.08633	0.4
177.11258	0.2
191.74428	0.2
231.66422	0.1
292.03796	0.2
496.19321	0.2
497.19601	0.7
523.17493	4.4
524.18066	0.8
537.19000	0.3
541.18463	4.3
555.20209	0.8
556.20801	1.4
559.23517	0.5
595.19653	0.6
599.22577	2.0
610.22003	0.3
641.24164	0.4
642.24506	4.2
643.25104	1.1
673.26306	100.0
674.26617	3.0
691.28070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74562	0.3
52.51645	0.2
55.05508	0.3
58.55407	0.2
65.03961	0.3
67.05508	1.5
69.03426	0.5
69.07055	0.5
69.93148	0.6
69.93539	0.6
79.05482	0.9
81.03410	0.3
81.07042	1.0
82.06583	0.5
84.32672	0.3
85.02882	0.4
89.03903	0.4
91.05472	0.8
93.07041	1.2
94.06566	1.6
95.04945	0.6
95.08611	0.6
96.08105	1.0
97.02878	0.3
97.06519	0.4
98.20831	0.4
103.16468	0.3
106.06544	0.5
107.08554	0.7
108.08138	1.3
109.02886	0.3
109.10134	0.6
110.09698	0.7
116.04972	2.0
119.08579	0.3
120.08101	1.0
121.06473	0.3
121.10159	0.5
122.06030	5.0
124.07603	4.1
127.03948	0.3
129.07021	0.3
133.10153	0.4
134.05972	0.3
135.04439	0.3
136.07565	2.9
136.55482	0.3
138.09187	1.5
140.07079	0.8
144.04462	3.9
146.06035	0.5
147.04390	0.5
148.07581	0.7
150.05537	2.8
152.07077	0.7
160.03976	0.6
162.05504	1.5
163.03963	1.6
164.04247	0.7
165.09196	0.4
166.08649	1.4
168.06561	0.9
170.09650	0.4
172.03943	20.4
172.07570	1.2
182.08147	1.4
182.09612	0.5
184.11394	0.3
185.10767	1.1
187.12360	0.5
190.05014	5.1
192.06583	0.4
196.07574	0.5
196.09688	0.3
196.11290	0.3
197.08504	0.4
197.10735	0.9
198.09192	2.2
199.08600	0.4
199.12361	0.7
200.12917	0.3
201.10205	2.6
204.06569	28.8
205.06944	0.3
212.10919	1.8
213.10068	2.3
213.13690	0.3
214.10719	1.3
215.11797	2.5
218.08058	0.6
223.08669	0.5
225.10214	2.9
226.08839	0.5
226.10953	0.6
227.08217	2.1
227.11829	1.0
228.12607	1.1
229.09705	2.8
229.13400	1.0
230.14247	0.3
238.11201	0.3
239.11719	1.3
240.10211	0.6
241.09700	5.0
241.13335	3.8
242.10480	9.9
243.11250	5.4
244.12032	0.9
245.13008	0.3
247.10829	0.4
255.11324	1.8
256.09436	0.6
256.12067	7.7
257.10797	0.4
257.12857	9.8
258.11191	1.7
258.13712	1.2
267.11264	1.1
269.09354	0.3
271.14304	0.4
272.12729	0.9
273.12405	0.3
274.13907	0.4
279.11377	0.6
281.12988	0.5
284.11581	6.1
285.09497	0.3
285.12347	5.4
287.10272	1.4
289.15427	4.2
297.12183	1.0
299.10657	0.3
299.13971	0.8
300.12433	0.4
301.11911	0.8
302.12518	3.2
315.13504	0.5
317.14960	100.0
318.15265	1.9
325.11850	10.1
329.11340	1.1
330.12201	0.3
339.13483	0.4
343.12927	1.8
357.14551	3.6
432.19308	0.6
456.15445	0.4
476.18280	2.2
488.18271	2.5
508.20688	0.7
597.27124	2.0
609.23773	1.7
613.26349	0.9
623.24707	0.6
641.26099	9.1
642.26520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
56.53251	0.2
68.05048	0.6
69.03423	0.5
70.01686	0.3
70.06596	100.0
70.90849	0.5
71.06906	0.6
81.03412	0.8
85.02905	0.5
97.02890	0.8
99.04456	0.3
105.26202	0.3
109.02883	4.4
110.55395	0.3
112.07610	91.2
113.07955	0.5
114.05533	0.3
116.07117	2.1
127.03947	0.6
137.05971	1.3
140.07071	59.9
158.08134	10.4
185.18958	0.2
212.09103	0.4
224.09218	0.4
230.10222	1.4
233.11821	0.3
242.10275	0.5
266.10300	3.9
284.11288	11.8
302.12381	2.5
380.33701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01860	0.8
55.05270	0.6
55.05514	9.3
55.44872	0.3
57.03429	1.5
57.07079	3.3
58.83247	0.4
59.04998	1.1
61.02905	0.4
65.03926	0.5
67.05507	18.7
69.03433	4.5
69.07065	4.6
69.28227	1.1
69.28646	2.2
71.04607	0.7
71.04993	9.5
79.05491	5.1
81.03427	8.6
81.07057	100.0
82.07387	0.7
83.04990	0.5
83.08615	2.4
85.02440	0.6
85.02911	8.4
85.06541	6.6
89.06023	2.5
91.05482	2.8
93.07049	9.4
95.04966	6.2
95.08608	19.2
97.02885	3.8
97.06531	1.3
97.10172	12.2
98.09680	0.6
99.04440	2.1
99.08087	2.3
103.36963	0.4
105.07050	3.1
107.08594	5.6
109.02882	10.8
109.06518	3.7
109.10156	2.6
111.04443	1.1
111.08086	3.8
113.06003	0.9
119.04927	2.5
121.10145	1.8
123.04453	0.4
123.08074	1.9
123.11707	86.1
124.11993	0.8
127.03922	13.9
131.08545	0.4
133.10115	5.2
137.05984	0.8
139.11185	1.3
141.12733	3.1
145.04900	0.7
147.04405	16.5
151.11182	16.1
169.12241	48.4
177.09229	0.4
187.13298	25.4
202.05875	0.5
229.14302	5.3
231.13821	0.6
249.14804	1.5
277.14386	6.8
294.12515	0.5
295.15411	25.5
313.16452	12.5
331.17511	62.8
441.19077	0.6
477.20844	0.8
551.78186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.2
55.05511	8.8
57.03445	8.5
57.07066	1.7
59.05003	1.1
61.02936	2.4
65.03943	0.9
66.97378	0.5
67.05510	27.1
69.03426	1.1
69.07075	8.4
69.70690	3.2
70.06577	1.9
71.04987	2.9
73.02901	0.7
77.95757	0.7
79.05499	19.5
81.03429	6.8
81.07064	39.8
83.01342	3.6
83.04996	7.3
83.08625	11.6
84.77351	0.6
85.02917	4.2
85.06564	2.2
88.07660	1.4
91.04004	0.8
91.05487	14.4
93.07052	32.3
95.04992	4.6
95.08608	9.4
97.02915	2.1
97.06538	6.2
97.10192	2.1
99.04465	1.6
99.08111	1.8
102.09227	1.5
105.04528	0.9
105.07050	5.1
107.04945	3.9
107.08605	15.5
109.06544	3.4
109.10157	2.3
111.04458	1.3
111.08096	2.9
117.07030	5.2
119.08598	4.2
121.06525	2.7
121.10154	11.0
123.04432	0.7
123.08077	4.2
123.11703	0.9
129.07030	1.3
131.08582	4.0
133.10110	4.1
135.08119	1.4
135.11691	8.6
143.08586	0.9
145.10127	8.2
147.08073	0.9
149.02332	4.1
149.09662	0.9
149.13274	15.2
153.12784	1.1
159.11688	5.9
163.11192	13.5
163.12563	1.0
173.09601	1.4
177.12814	2.4
181.12267	1.7
191.10681	1.4
193.05043	3.2
195.13832	4.6
209.11798	2.9
211.33366	0.7
213.14842	0.9
227.12860	1.3
228.23282	2.7
265.14365	0.8
267.16016	1.0
269.17499	52.3
270.17801	0.6
283.15421	34.2
385.09323	0.6
429.12061	0.8
459.27570	3.0
473.14178	1.0
477.28528	100.0
478.28867	2.3
497.18549	1.7
530.28351	0.7
536.44000	0.6
567.51501	0.7
595.98346	0.8
674.35327	6.9
675.26642	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	675.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05414	0.9
57.06969	2.7
57.07269	1.5
58.05292	0.7
60.57104	0.6
61.02839	1.3
67.05389	1.7
67.05703	0.8
69.06953	0.9
69.43790	1.5
69.44211	3.8
71.08523	1.7
71.08866	0.7
79.05381	1.1
81.03318	1.5
81.06976	1.4
81.07423	0.7
83.08532	1.0
85.02802	1.7
85.10058	0.9
91.05380	1.0
93.06921	1.7
95.08513	1.5
97.10043	0.9
105.06925	0.9
107.08485	0.7
110.73169	0.6
119.08528	0.7
123.32727	0.6
129.06863	0.7
131.00029	0.7
156.03526	1.0
163.05820	0.9
173.05850	0.7
240.23914	1.2
267.15829	1.6
277.21719	0.7
302.49072	0.7
313.27240	2.8
314.27667	3.3
315.28046	3.4
331.28375	1.9
333.28958	1.4
347.16891	2.3
347.67188	1.0
370.10556	1.3
384.12274	4.6
385.13004	13.8
386.13721	5.9
387.14398	0.8
397.12836	2.1
398.13751	9.8
399.09528	1.5
399.14575	23.6
400.15341	63.4
401.15796	4.0
409.13467	0.8
410.13461	1.1
411.14474	3.0
412.15390	7.9
413.16089	18.1
414.16940	25.1
415.17526	2.7
418.17715	1.2
424.15320	0.8
425.15939	2.5
426.17365	3.5
427.12595	1.0
427.18170	13.5
428.18655	16.7
429.19278	55.2
430.19553	2.5
431.13098	0.9
439.18164	1.2
440.14044	1.0
441.15182	2.7
441.19791	2.0
442.16385	7.2
443.12854	3.9
444.14276	14.4
447.20038	1.2
455.10822	0.9
455.17154	19.8
456.17899	7.6
457.14804	3.1
457.19385	2.1
458.15198	4.7
459.16602	7.3
461.28506	1.5
466.12851	1.3
468.13742	0.8
469.18542	2.6
471.16602	1.4
472.17654	5.6
473.18234	20.6
474.18652	0.8
481.14954	2.6
482.15500	1.4
483.16592	14.1
484.22238	1.2
485.18506	0.9
487.16043	4.7
496.17123	1.4
499.16077	2.6
501.17487	12.5
502.18600	4.3
509.14536	1.6
511.20297	3.3
512.20349	1.1
513.36090	1.4
516.23816	11.7
523.15869	3.2
527.15405	8.7
528.16193	1.0
529.19696	0.8
537.17603	1.1
539.19287	14.1
540.19629	7.0
541.20215	1.6
543.22418	16.2
543.35858	0.9
544.23267	38.2
545.23383	1.2
555.18707	4.0
560.22693	15.5
569.20062	1.3
570.20532	2.3
571.21930	62.5
572.22076	12.7
573.20184	4.0
575.24915	4.6
585.23669	1.1
587.21497	6.1
588.22205	100.0
589.22516	3.8
598.20984	1.1
601.22943	4.1
603.24561	7.3
615.20966	7.0
616.21185	7.0
619.24243	5.7
629.22522	16.8
630.23230	1.1
631.23920	10.9
647.23590	9.5
657.21851	26.3
675.23065	26.6
675.34949	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.7
57.07080	4.3
61.02923	1.6
67.05508	2.2
67.42139	0.8
69.03417	0.8
69.55758	0.8
70.57207	2.7
71.08634	3.4
72.08981	0.9
72.50796	0.9
81.03415	1.6
81.07056	2.7
83.08643	1.7
85.02909	1.5
86.10523	1.0
91.03954	1.2
91.05495	1.4
93.07045	1.0
94.80085	0.9
95.08613	3.2
96.08961	1.2
97.02895	1.0
97.10176	1.3
105.07079	1.0
106.07062	0.8
110.69514	0.8
111.11382	0.8
132.36160	0.8
149.01291	1.0
164.06430	0.8
183.19324	0.9
239.23787	1.6
267.16049	1.1
313.27435	4.1
314.27692	4.1
315.28085	3.5
332.29016	1.2
333.29135	1.2
347.17276	3.0
347.67407	3.0
370.10715	1.7
384.12210	4.2
385.12897	14.8
386.13690	5.1
397.13217	2.2
398.13757	6.5
399.14557	23.1
400.15332	62.3
401.15778	4.0
402.17123	1.2
409.12872	0.9
411.14679	2.6
412.15396	9.9
413.16171	17.8
414.16895	23.8
415.17770	3.7
418.17612	1.2
424.15414	1.2
425.16415	2.3
426.16895	3.9
427.18085	11.2
428.18625	17.0
429.13287	2.0
429.19290	48.6
430.19791	2.2
435.14557	1.0
439.17828	1.0
441.15311	2.6
441.20279	1.7
442.16208	5.9
443.12665	4.7
444.14288	13.7
445.14294	1.2
455.17123	19.6
456.18024	7.4
457.15027	3.9
458.15479	4.9
459.16776	6.0
461.28806	1.0
466.12897	0.9
469.19299	1.6
472.17526	5.5
473.18332	19.6
481.15335	2.9
482.16269	1.3
483.16592	12.5
484.21677	1.2
487.16159	4.5
495.16812	1.3
496.17282	1.4
499.16248	4.4
501.17386	10.7
502.18546	3.8
511.19839	3.1
512.13153	1.1
513.36029	1.2
514.20630	0.9
515.22583	0.9
516.23840	10.4
523.16382	1.2
525.17902	1.0
527.15558	7.4
537.17859	1.8
539.19177	12.4
540.19617	7.8
542.20264	1.0
543.22498	15.8
544.23260	33.3
545.23505	1.7
555.18939	2.9
559.21881	1.4
560.22662	14.4
570.20447	2.8
571.21912	68.1
572.22241	14.6
573.20184	2.4
575.25098	4.8
587.21399	6.6
588.22174	100.0
589.22614	4.6
601.23041	3.4
603.24463	6.8
615.20734	7.3
616.21295	8.7
619.24316	4.5
629.22430	18.4
631.23981	11.1
647.23407	10.9
657.21912	25.9
658.21973	1.7
675.23083	29.4
675.34363	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01864	1.3
57.00904	0.8
57.02874	0.9
57.08701	0.8
65.03952	2.1
67.05493	1.1
69.03416	3.7
69.07056	1.4
71.04999	1.4
71.52458	1.2
76.70171	0.8
79.05491	1.7
81.03419	9.4
81.07045	2.7
83.46903	0.8
84.45823	0.8
84.93002	0.7
85.02923	4.5
91.05488	7.7
92.04993	1.8
93.07033	2.7
95.04931	1.4
95.08583	1.1
97.02895	6.9
97.06540	1.2
99.04449	1.8
103.05512	1.0
105.06982	1.3
107.04950	2.7
107.08572	1.2
109.02860	4.4
109.06546	0.9
115.05415	1.4
117.07021	1.0
119.04940	6.8
120.04450	1.4
121.06512	4.3
122.06062	0.8
123.04353	0.9
125.05959	0.9
127.03920	4.2
136.07526	0.9
137.05974	9.7
138.05489	12.3
138.06393	1.2
138.09137	7.6
143.04909	2.5
145.06482	1.7
147.04420	8.3
148.03923	1.3
149.05988	2.8
150.09119	1.0
151.03932	0.9
151.07584	1.0
153.05479	5.2
158.03592	1.5
161.05994	0.9
163.05043	1.2
165.05482	3.7
165.09114	3.1
166.05013	19.0
167.07101	5.3
167.08380	1.2
173.05952	4.2
175.03883	1.8
175.07574	3.7
179.07013	1.0
179.08562	1.2
180.07805	1.9
184.11060	1.1
186.03130	3.4
186.12779	1.6
187.07484	1.6
189.05418	1.1
189.06981	1.9
192.05754	2.1
193.04999	5.3
197.08121	1.0
201.05472	16.6
201.10402	1.2
201.13820	1.0
203.07002	2.7
203.91148	1.0
204.10205	0.9
205.06462	1.9
206.07304	1.7
207.08099	4.8
211.06004	2.3
211.12332	3.4
212.10689	3.8
213.13829	3.3
214.12392	7.0
219.08095	2.1
220.05167	7.8
221.05919	2.4
224.08360	2.1
226.08644	1.2
227.06708	0.9
229.09799	1.6
229.13304	5.9
230.11868	6.0
233.05963	1.1
234.06822	2.3
235.07549	10.7
236.08156	1.3
237.05467	2.8
239.11726	3.0
240.10156	2.6
241.10913	1.9
241.13268	1.3
242.11876	7.2
243.11314	12.0
244.09700	1.8
247.07475	2.3
248.04649	2.4
249.05493	1.6
249.09294	1.6
251.07004	2.3
252.07796	3.7
256.08548	2.0
257.09283	1.6
257.12897	13.0
260.12805	2.2
261.05350	2.5
262.06366	1.9
263.07022	11.0
264.07770	2.8
265.04922	3.6
267.10513	3.4
268.09857	1.7
272.08731	1.7
272.11569	30.4
274.09500	1.9
275.14017	2.0
276.07803	3.1
277.08572	2.8
279.06732	1.3
280.07318	7.1
281.15952	0.8
282.09610	1.3
285.12341	100.0
286.12741	1.5
290.05716	1.0
291.06662	1.1
293.07956	1.6
295.09637	7.4
296.10367	1.0
297.07712	1.7
303.13385	44.3
304.13806	1.2
305.07996	2.3
307.06116	1.0
308.06784	3.2
312.10062	1.6
322.08499	4.0
323.09189	9.5
325.07373	1.6
327.12262	4.5
337.10687	9.0
340.09348	1.5
353.10181	1.0
354.10190	1.2
355.11780	91.1
356.12024	1.3
389.66290	0.9
407.14517	1.0
429.16562	19.4
447.17654	79.0
448.17929	2.1
465.18628	6.7
478.19354	2.3
499.15842	1.9
517.16956	2.4
639.21692	2.6
643.23511	1.1
657.22919	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	675.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01864	1.3
57.00904	0.8
57.02874	0.9
57.08701	0.8
65.03952	2.1
67.05493	1.1
69.03416	3.7
69.07056	1.4
71.04999	1.4
71.52458	1.2
76.70171	0.8
79.05491	1.7
81.03419	9.4
81.07045	2.7
83.46903	0.8
84.45823	0.8
84.93002	0.7
85.02923	4.5
91.05488	7.7
92.04993	1.8
93.07033	2.7
95.04931	1.4
95.08583	1.1
97.02895	6.9
97.06540	1.2
99.04449	1.8
103.05512	1.0
105.06982	1.3
107.04950	2.7
107.08572	1.2
109.02860	4.4
109.06546	0.9
115.05415	1.4
117.07021	1.0
119.04940	6.8
120.04450	1.4
121.06512	4.3
122.06062	0.8
123.04353	0.9
125.05959	0.9
127.03920	4.2
136.07526	0.9
137.05974	9.7
138.05489	12.3
138.06393	1.2
138.09137	7.6
143.04909	2.5
145.06482	1.7
147.04420	8.3
148.03923	1.3
149.05988	2.8
150.09119	1.0
151.03932	0.9
151.07584	1.0
153.05479	5.2
158.03592	1.5
161.05994	0.9
163.05043	1.2
165.05482	3.7
165.09114	3.1
166.05013	19.0
167.07101	5.3
167.08380	1.2
173.05952	4.2
175.03883	1.8
175.07574	3.7
179.07013	1.0
179.08562	1.2
180.07805	1.9
184.11060	1.1
186.03130	3.4
186.12779	1.6
187.07484	1.6
189.05418	1.1
189.06981	1.9
192.05754	2.1
193.04999	5.3
197.08121	1.0
201.05472	16.6
201.10402	1.2
201.13820	1.0
203.07002	2.7
203.91148	1.0
204.10205	0.9
205.06462	1.9
206.07304	1.7
207.08099	4.8
211.06004	2.3
211.12332	3.4
212.10689	3.8
213.13829	3.3
214.12392	7.0
219.08095	2.1
220.05167	7.8
221.05919	2.4
224.08360	2.1
226.08644	1.2
227.06708	0.9
229.09799	1.6
229.13304	5.9
230.11868	6.0
233.05963	1.1
234.06822	2.3
235.07549	10.7
236.08156	1.3
237.05467	2.8
239.11726	3.0
240.10156	2.6
241.10913	1.9
241.13268	1.3
242.11876	7.2
243.11314	12.0
244.09700	1.8
247.07475	2.3
248.04649	2.4
249.05493	1.6
249.09294	1.6
251.07004	2.3
252.07796	3.7
256.08548	2.0
257.09283	1.6
257.12897	13.0
260.12805	2.2
261.05350	2.5
262.06366	1.9
263.07022	11.0
264.07770	2.8
265.04922	3.6
267.10513	3.4
268.09857	1.7
272.08731	1.7
272.11569	30.4
274.09500	1.9
275.14017	2.0
276.07803	3.1
277.08572	2.8
279.06732	1.3
280.07318	7.1
281.15952	0.8
282.09610	1.3
285.12341	100.0
286.12741	1.5
290.05716	1.0
291.06662	1.1
293.07956	1.6
295.09637	7.4
296.10367	1.0
297.07712	1.7
303.13385	44.3
304.13806	1.2
305.07996	2.3
307.06116	1.0
308.06784	3.2
312.10062	1.6
322.08499	4.0
323.09189	9.5
325.07373	1.6
327.12262	4.5
337.10687	9.0
340.09348	1.5
353.10181	1.0
354.10190	1.2
355.11780	91.1
356.12024	1.3
389.66290	0.9
407.14517	1.0
429.16562	19.4
447.17654	79.0
448.17929	2.1
465.18628	6.7
478.19354	2.3
499.15842	1.9
517.16956	2.4
639.21692	2.6
643.23511	1.1
657.22919	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	675.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
53.25030	0.7
55.01880	1.5
57.03429	1.0
61.86403	0.6
65.03944	1.6
67.05497	1.0
69.03427	1.9
71.02663	1.0
71.04992	0.7
79.05505	2.1
79.30988	0.6
81.03410	6.4
81.07041	1.2
85.02912	3.0
90.01373	0.7
91.05495	5.3
93.07032	1.8
95.05001	0.8
95.08607	0.7
97.02902	4.0
103.05505	1.7
105.07025	1.0
107.04949	1.4
109.02874	3.8
115.05450	1.5
117.07025	1.3
119.04937	3.9
120.04462	0.8
121.06526	1.7
127.03911	2.3
130.04178	0.8
133.06429	1.0
135.04405	0.7
137.05983	8.1
138.03220	0.7
138.05481	5.8
138.06334	0.9
138.09177	3.5
139.03992	0.7
143.04935	1.4
145.06512	2.0
147.04431	2.9
149.06012	1.6
151.07582	0.9
153.05464	7.9
158.03673	1.7
160.05196	1.6
165.05521	3.2
165.06735	0.7
165.09187	1.3
166.05019	8.4
167.07040	4.7
173.06017	5.0
175.04010	1.5
175.07545	5.0
176.07918	1.9
177.07092	0.8
178.07764	2.0
179.07060	1.0
179.08591	2.1
180.07814	1.8
181.05020	0.9
181.06427	1.2
186.03130	5.0
187.07544	1.7
189.07062	1.8
189.08987	0.7
191.08606	1.0
192.05730	1.3
193.04973	2.8
195.08096	0.8
201.05467	16.6
203.07083	2.3
205.06468	2.1
206.07277	1.3
207.08102	5.7
209.05991	1.2
211.05954	1.2
212.10751	1.4
213.13890	1.3
214.12263	2.2
215.07167	1.2
217.06537	1.2
218.07326	1.4
219.08063	1.6
220.05165	6.4
221.05981	2.7
222.06741	1.2
223.07536	1.2
224.08229	0.8
229.13351	3.1
230.11780	2.9
233.06039	2.3
234.06735	3.7
235.07556	11.9
235.09778	1.4
236.08246	2.2
237.05524	2.6
239.11795	1.0
240.10265	1.7
241.13348	0.8
242.11777	2.6
243.11325	6.9
244.09671	0.9
247.07372	1.6
248.04675	4.2
249.05345	1.4
249.09134	1.4
250.06184	0.8
251.07094	3.8
252.07785	3.0
257.09769	1.4
257.12915	7.7
260.12561	0.8
261.05695	1.5
262.06308	2.7
263.07050	12.4
264.07938	2.8
265.04984	3.3
265.08810	0.9
266.05820	1.0
267.10049	5.3
272.11569	18.2
274.09433	0.8
275.10126	0.8
275.13809	1.5
276.07785	1.7
277.08679	2.8
279.06439	2.4
279.09885	1.1
280.07248	5.5
281.07990	1.2
282.09683	1.0
283.09863	0.9
285.12350	46.0
286.12665	1.0
290.05643	0.9
291.06653	2.1
293.04501	1.1
293.07962	0.9
294.08804	1.8
295.09674	11.2
296.10214	0.8
303.13412	23.4
303.16916	1.3
305.08148	1.5
307.05798	0.9
308.06796	2.2
309.07632	1.5
311.09036	1.1
312.09698	1.4
322.08273	2.3
323.09161	9.5
325.06964	0.8
327.12177	4.2
337.10696	10.6
338.02570	0.7
340.09460	1.1
353.10147	1.1
354.10507	1.0
355.11768	100.0
356.12057	1.4
373.12875	1.1
407.14517	0.9
429.16602	10.0
431.34323	0.8
447.17676	39.6
448.18188	1.3
459.17880	0.9
460.18369	1.4
465.18808	3.4
478.19431	3.1
499.16129	0.9
517.17279	2.0
529.31555	0.7
647.93982	0.8
657.22968	17.8
670.75513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79585	0.5
55.05521	0.9
55.35177	0.6
59.54069	0.7
67.05495	1.4
69.28706	1.3
69.29106	4.1
79.05487	0.8
81.07070	1.2
91.05486	1.0
93.07050	1.0
95.08602	1.0
97.52598	0.6
105.07015	0.6
107.08617	0.7
114.38251	0.6
119.08558	0.7
119.52291	0.8
125.66811	0.6
167.78940	0.7
186.53085	0.6
195.08888	0.6
264.34036	0.7
269.31549	0.7
398.13812	1.5
399.14426	4.4
400.15634	0.8
411.14615	0.9
412.15430	4.7
413.16083	16.3
414.17123	16.5
415.18359	2.5
425.16315	0.8
426.17053	4.3
427.17703	17.2
428.18484	24.0
430.16510	1.3
431.16650	1.0
432.19220	1.9
433.19424	0.9
440.18530	1.5
441.19629	11.8
442.20001	24.0
443.20871	8.5
445.14459	0.7
455.16724	2.4
455.21591	2.0
456.21683	1.2
458.15649	1.3
468.17725	0.7
469.18735	32.4
470.18921	14.5
471.17218	1.2
472.17731	3.8
473.18176	7.0
474.18323	4.7
484.13635	0.9
485.13519	0.9
485.19116	1.0
486.18829	1.4
495.16586	1.2
496.17346	0.7
500.19971	1.1
501.21542	3.4
505.18414	0.9
509.18240	1.7
510.19000	1.3
513.17755	22.7
514.17969	15.6
523.19696	0.8
524.20239	1.0
525.21429	6.0
529.24634	1.4
541.21173	1.0
557.24011	100.0
558.24158	4.0
573.23767	1.0
587.21539	1.7
588.25903	27.5
589.26642	1.0
600.22418	2.0
601.22919	3.0
615.24457	13.5
616.24829	54.1
617.24664	2.8
631.27905	2.2
643.24054	51.8
644.24359	2.6
647.27350	1.3
675.26740	11.7
675.44617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.7
58.09668	0.6
63.85181	0.7
66.20802	0.6
67.05506	2.1
69.92235	3.2
79.05509	0.8
81.07064	1.2
91.05518	0.7
93.07034	0.9
94.16917	0.6
95.04975	0.6
105.07021	0.9
106.31169	0.5
107.08568	1.0
115.14644	0.6
129.07076	0.6
269.06107	0.6
398.13879	1.8
399.14319	3.4
412.15222	3.7
413.16141	15.7
414.17099	16.3
415.18182	2.0
426.17230	4.0
427.17715	16.4
428.18445	23.7
429.18741	0.8
430.16031	1.1
440.19077	1.1
441.14059	1.2
441.19812	8.9
442.20023	20.7
443.20770	6.8
445.18869	0.8
455.16132	0.9
455.21100	2.3
456.21619	1.2
457.14951	0.9
458.15918	1.6
467.16879	0.9
468.17719	1.0
469.18683	27.1
470.18878	9.9
471.17319	1.8
472.17328	3.4
473.18216	6.1
474.18634	2.8
481.14929	1.0
481.22134	0.7
484.13718	1.1
485.14532	0.9
486.18954	1.0
494.16101	1.2
497.18466	1.2
501.21365	3.1
509.18234	2.6
510.18829	1.4
513.17755	20.0
514.17828	10.9
525.21466	6.8
527.23071	0.8
529.24426	0.8
541.20868	1.3
557.24011	100.0
558.24188	4.9
572.21655	0.7
573.23260	0.8
587.21576	1.0
588.25903	24.5
589.25800	0.8
600.22180	2.0
601.22998	1.7
615.24573	13.0
615.34387	1.0
616.24823	35.3
617.24799	1.6
631.27747	1.8
643.24030	48.7
644.24597	2.4
647.27032	1.5
675.26666	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	675.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79480	0.3
54.19846	0.2
55.05506	0.3
55.35041	0.3
59.86309	0.2
62.72985	0.2
64.74457	0.2
65.75715	0.2
66.16671	0.3
67.05540	0.2
69.23910	0.6
69.24322	1.9
78.87746	0.2
81.03414	0.4
81.07036	0.3
93.07078	0.4
99.65526	0.2
112.96017	0.2
121.22705	0.2
213.26079	0.2
260.45526	0.3
400.15540	0.5
413.16064	0.8
425.16608	0.4
426.17294	0.4
427.17850	0.4
428.18738	0.5
429.15735	0.9
430.16501	0.9
440.18982	0.5
441.19394	0.9
442.16162	0.4
443.17255	1.1
444.18042	1.5
445.18930	2.4
453.15558	0.5
454.16647	0.5
455.13135	0.5
457.14954	1.4
457.19592	0.9
458.19797	0.4
467.17334	1.4
468.13852	0.6
468.18777	0.5
469.15240	1.9
469.20514	0.3
470.15073	1.3
471.16473	3.4
472.17435	1.0
473.18124	0.3
479.30054	0.9
480.14139	2.2
481.14746	2.7
482.15692	2.8
483.16614	3.3
484.17474	1.2
485.18439	4.0
486.18726	0.3
494.15994	0.4
495.16669	9.3
496.17465	4.0
497.18304	9.1
498.19440	1.5
499.15762	0.3
499.20068	0.8
500.17206	0.7
501.19778	0.3
502.18463	0.5
503.19174	0.4
509.18188	0.5
510.19556	0.4
511.19748	0.8
513.17914	1.7
515.19971	0.5
523.16321	0.3
525.17999	0.3
527.19885	0.6
529.20789	1.0
538.20276	0.4
541.17334	0.5
542.17987	0.5
544.16187	0.4
555.18719	12.1
556.19666	0.8
557.20715	1.0
558.20074	0.3
573.22925	3.1
583.21924	0.9
585.22571	0.5
596.21643	0.5
616.21625	0.4
617.22485	3.2
627.21368	0.4
643.24054	4.0
644.24774	1.2
645.21832	2.6
657.25586	1.0
660.14246	0.4
660.24457	4.8
675.26660	100.0
676.26776	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	675.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84500	0.3
68.87501	0.3
69.86082	1.3
71.07840	0.3
71.17724	0.2
71.86260	0.3
73.93905	0.3
82.45366	0.3
109.03957	0.2
130.09784	0.3
145.10002	0.3
181.12390	0.3
187.89282	0.3
275.02991	0.3
290.09940	0.3
328.24390	0.3
439.14145	0.5
445.18765	0.3
454.16959	0.9
455.13507	0.6
456.13852	0.6
467.12866	0.7
467.18042	0.8
468.13983	2.0
469.14835	7.0
470.16052	1.1
471.16733	1.0
479.17575	0.4
480.14011	0.5
481.14825	2.1
482.15897	9.0
483.16635	9.9
484.17355	2.1
485.18970	0.5
495.16806	2.6
496.17627	5.7
497.18268	36.7
498.19086	3.5
499.19894	0.5
500.16788	0.3
509.19238	0.4
510.19077	2.0
511.19809	4.9
512.20660	1.3
515.19653	0.9
523.16650	0.4
528.16486	1.8
538.20209	0.6
541.17053	0.7
542.17932	2.1
555.18427	2.8
556.19427	3.1
557.20221	3.7
558.20428	0.4
569.20343	0.6
571.21936	0.7
573.22729	0.5
583.21869	0.5
616.21667	1.8
617.22070	0.5
629.23254	0.4
630.23590	0.5
643.24017	8.0
644.24811	7.2
645.23474	1.0
657.25580	6.4
675.26654	100.0
676.27008	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	675.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
67.05483	0.7
69.07072	0.6
69.55648	2.3
69.56069	0.9
70.06599	15.1
71.04984	0.6
71.06935	2.4
79.05492	0.7
81.03436	0.7
81.07058	1.3
85.02923	1.0
91.05497	1.4
93.07056	1.3
94.06577	1.0
95.04959	0.6
96.08132	1.9
97.06573	0.5
98.21530	0.5
105.07050	0.8
108.08150	2.5
109.02900	0.8
109.06555	0.4
109.10191	0.5
110.09708	2.2
112.06840	0.8
112.07623	14.4
113.07962	2.4
120.04503	1.2
120.08118	3.4
121.06496	0.6
121.10188	0.8
122.06047	0.7
122.09695	0.7
124.07602	1.0
127.03922	0.8
131.08565	0.7
136.07561	2.3
137.05977	1.0
138.09148	6.3
140.07082	10.0
141.07451	2.6
145.10048	0.4
146.06050	0.6
147.11708	0.9
148.07619	1.3
148.52730	0.5
150.09145	0.8
152.07101	0.4
158.08160	1.4
159.08484	0.5
162.09097	0.7
164.07098	0.7
166.08640	7.6
172.03946	2.8
180.52878	0.4
182.11749	0.6
190.05063	1.0
190.55225	0.5
192.10103	0.5
194.08141	0.9
196.09700	0.9
197.10794	0.6
204.06578	5.5
225.10284	1.9
227.11919	1.2
236.09407	0.9
237.10225	3.0
239.11752	1.3
241.09763	0.9
248.09343	0.8
249.10329	2.5
250.11079	0.8
250.91066	0.5
251.08229	1.0
251.11870	2.7
251.14137	0.5
253.09679	2.1
261.10272	1.2
263.11856	1.7
265.09766	3.8
266.10516	0.8
267.08426	0.5
267.11206	2.9
269.13049	1.1
271.10818	1.3
273.12515	0.6
277.09741	1.1
278.10599	1.4
279.07846	1.2
279.11377	5.0
280.11798	0.8
281.09402	0.9
281.12949	1.4
282.09906	0.9
283.10825	3.6
283.91531	0.5
284.11362	1.5
285.12125	1.5
287.13831	2.5
288.46664	0.6
289.09714	2.1
291.11356	0.9
293.09302	1.2
293.13022	2.0
294.10150	2.4
295.10840	1.9
296.11597	1.3
297.12427	1.9
299.10443	1.4
306.10321	0.5
307.10898	1.1
308.11560	0.5
309.12189	1.1
311.10333	4.1
311.14081	1.6
312.11017	1.3
313.11868	1.7
314.12662	1.3
321.12320	0.5
323.10403	0.5
323.13892	0.7
324.11331	0.9
325.11935	2.5
326.12540	2.8
327.13464	5.4
335.10220	3.3
337.11829	1.0
339.13431	24.4
340.10226	0.6
340.14130	0.8
354.12192	2.0
355.12891	7.4
356.13916	0.8
357.14590	2.0
367.12915	12.6
371.12170	1.0
371.16306	1.1
386.14886	1.2
387.15652	1.3
399.10773	0.7
399.15558	4.4
416.15857	0.5
446.16534	0.8
447.18213	0.6
451.21011	1.0
453.54541	0.5
458.17136	1.1
460.18704	1.2
479.20554	1.7
488.18341	1.1
490.19550	0.6
492.21591	3.0
520.20929	7.3
552.23468	100.0
553.23828	2.4
597.50238	0.6
607.21991	0.8
611.25397	4.2
625.22028	0.6
639.24762	0.7
643.27301	1.8
661.36389	0.5
675.33392	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83403	0.4
53.03921	1.5
55.01835	1.2
55.05517	6.2
57.03443	5.6
57.07041	1.1
61.02907	1.1
65.03924	1.1
67.05508	23.2
67.05841	0.8
69.03391	1.6
69.07070	7.6
70.02876	1.2
70.03293	1.2
71.04990	2.6
79.05498	15.2
80.84330	0.4
81.03425	20.9
81.07065	27.9
83.04994	7.3
83.08624	11.2
85.02914	7.9
85.06546	2.4
91.05489	14.0
93.07050	22.2
95.04972	8.9
95.08622	7.9
97.02852	1.9
97.06525	4.7
97.10123	2.0
98.20901	0.6
99.04464	0.5
99.08049	1.6
105.06413	0.6
105.07032	7.7
107.04948	2.3
107.08603	12.0
109.06524	2.5
109.10111	1.9
111.04413	0.7
111.08097	4.8
113.05978	0.8
117.07008	2.3
119.08581	6.1
121.06475	0.7
121.09370	0.6
121.10152	9.4
123.08026	1.2
123.11693	0.7
125.09589	0.8
129.07008	3.2
131.08583	6.0
133.06479	0.9
133.10149	6.8
135.11694	3.0
137.09549	0.8
142.07745	0.6
145.10097	0.7
147.11708	5.8
149.09642	2.5
149.13271	10.9
157.10133	5.3
159.11684	4.9
165.12758	1.0
167.00345	0.6
175.11211	5.9
177.12729	2.0
193.12245	14.5
195.13824	3.8
211.13309	19.3
213.14844	0.6
267.15945	10.7
269.17493	48.3
285.16980	15.7
285.20200	0.6
430.15613	0.9
431.16718	0.9
435.27441	0.8
441.19275	0.6
442.19986	0.7
443.17114	1.1
443.28217	0.6
444.17697	1.2
445.18402	2.0
446.18875	2.0
455.16812	0.8
456.17773	0.6
458.14777	1.4
458.19788	0.9
461.29019	24.4
462.29584	0.5
468.17996	1.0
469.15375	0.6
470.14749	2.8
471.16492	2.2
472.16565	3.0
473.18005	1.1
479.30084	64.2
480.30151	1.1
481.14609	1.6
482.15039	2.8
483.16357	3.4
484.16937	4.0
485.17642	0.5
486.18820	3.7
495.16348	2.6
496.16910	9.3
497.17645	6.5
498.18561	9.3
499.19012	1.8
500.16074	0.6
500.20721	0.5
501.16699	0.6
503.18481	0.6
511.18863	0.5
512.20135	1.0
514.18073	2.0
515.19067	0.8
516.19543	0.9
526.17474	0.5
528.20044	0.6
529.16925	0.8
530.21112	0.7
532.19080	0.8
543.18170	0.6
555.18805	1.0
556.18854	9.6
557.19812	1.5
558.20465	0.8
573.23425	0.5
574.24091	3.3
584.22443	1.5
602.23212	0.8
614.39813	0.5
617.22980	0.6
618.22772	2.9
628.21234	0.6
631.22656	0.5
644.24329	4.9
645.24146	1.1
646.22131	2.8
658.25732	0.7
661.24445	5.2
676.26898	100.0
677.26715	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	677.2817
Annotation	11-epi-Azadirachtin D
Peak:m/z	Relative Intensity
53.03951	1.2
59.10345	0.8
67.05509	1.7
70.06585	3.2
71.06936	1.1
77.03920	1.0
79.05499	3.8
80.05025	2.7
82.06590	2.6
91.05481	3.6
93.07046	9.4
94.06583	12.7
95.04948	1.1
95.07359	11.5
95.08633	1.3
96.08134	22.4
97.06515	2.4
98.21551	2.0
103.05510	2.1
106.06535	1.0
108.04485	6.5
108.08122	17.5
109.08900	1.7
110.09687	41.1
112.07616	2.6
113.07978	1.3
118.06533	1.3
119.26186	0.8
120.04456	8.6
120.08112	24.8
120.08950	1.6
122.06057	4.0
123.06820	1.0
124.07614	1.9
126.05576	0.9
134.06041	1.9
134.29599	0.8
136.07587	5.9
138.09146	45.7
140.07077	2.5
146.06044	1.2
148.07576	8.2
154.04993	1.2
164.07079	1.5
166.08646	42.4
167.09106	0.8
172.03946	2.2
175.08687	1.4
187.08662	1.3
190.05081	1.7
199.08549	1.5
201.10265	1.0
204.06668	2.8
209.10727	1.2
211.08832	1.7
212.09390	0.9
213.10275	2.7
221.10591	1.3
223.08629	2.1
223.12303	2.4
224.09607	1.1
225.06821	1.9
225.10269	4.8
226.10924	1.2
227.08246	0.9
227.11723	1.1
235.08725	2.8
236.09544	2.8
237.10223	6.0
238.11034	1.4
239.08165	1.7
239.11810	6.3
241.09850	1.5
248.09537	1.1
249.10258	9.7
250.11089	4.0
251.08827	1.1
251.11792	16.9
252.12625	3.5
253.09895	2.7
253.13419	2.3
256.66537	0.9
261.10297	1.4
263.09415	0.9
263.11746	5.5
264.12646	1.6
265.09781	2.9
265.13345	4.4
266.10596	1.0
267.11368	3.1
269.12878	20.5
269.15594	1.5
271.10724	1.3
273.12570	2.6
275.11545	1.1
277.09744	1.8
279.11395	2.6
282.10107	1.0
283.10886	3.8
284.11414	1.5
285.12338	2.7
293.09427	1.2
293.12869	1.1
295.10895	1.6
297.12347	7.7
299.13934	2.3
300.12097	1.0
302.13071	1.6
303.13766	1.7
306.57333	1.0
307.10916	1.1
309.12390	2.1
311.10367	1.6
311.13904	2.6
314.13272	1.3
314.16446	5.4
315.14554	1.4
316.14612	2.5
318.12543	1.6
325.12006	2.3
326.16696	2.3
327.13861	1.7
328.14548	3.0
329.11536	1.9
330.12424	3.3
330.16125	3.3
332.14111	1.4
340.14346	1.6
341.15375	1.5
342.12415	1.9
342.16251	2.4
343.13309	1.9
344.14075	5.5
344.17761	1.9
345.14850	1.6
346.15634	2.2
353.11407	1.4
354.16141	1.8
356.14014	3.3
356.17807	1.4
357.14871	2.7
358.15302	4.8
359.16370	4.5
360.13452	1.2
360.17477	1.8
367.13666	1.0
368.14163	1.8
370.15680	2.2
371.12265	1.2
371.16370	2.9
372.13229	1.3
372.17203	3.6
373.14166	1.7
374.14835	1.8
374.18787	2.4
382.15726	3.0
384.17242	5.7
385.14651	1.5
386.15067	4.8
387.15857	4.8
388.16605	5.7
390.14056	1.4
390.18555	1.9
392.15665	1.3
394.18298	1.0
398.15085	1.4
400.16531	8.9
402.18335	3.9
404.16187	1.0
406.17786	2.5
412.16205	1.1
415.14966	1.3
416.16043	23.3
417.16672	2.7
418.12863	1.2
418.17612	5.1
420.15549	1.4
421.15851	2.2
428.15967	9.7
430.17670	2.9
434.17136	23.6
435.17834	2.1
436.18686	2.2
444.15662	3.7
446.17139	42.3
447.17130	1.1
448.18939	3.3
452.18237	5.4
456.15823	2.1
461.28854	1.0
462.16116	4.8
464.18176	6.6
474.16373	5.4
480.17712	5.1
494.19101	4.2
500.41653	1.1
506.19205	5.9
512.20215	17.7
524.20416	3.6
553.24640	3.2
571.25800	2.0
581.24115	12.3
583.25177	2.8
587.24561	1.4
599.25018	43.2
600.25372	1.8
601.26569	1.6
609.23663	5.0
617.26050	10.8
627.24402	15.1
641.25800	4.4
645.25574	55.7
646.26074	3.0
659.27277	8.6
677.28156	100.0
678.28516	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
67.05502	5.2
69.07069	2.5
70.06596	3.4
70.75908	3.0
70.76250	5.1
75.81663	2.3
77.03919	2.1
77.51305	2.0
79.05468	5.3
80.04999	5.5
81.03416	2.7
81.07059	3.6
82.06577	4.3
85.02888	3.2
91.05485	9.3
93.05782	2.8
93.07036	19.0
94.06577	19.3
95.04990	4.9
95.07339	18.0
95.08601	3.7
96.08143	34.8
97.06559	4.4
98.06049	2.8
105.06999	2.1
108.04494	6.4
108.08121	32.2
109.08942	2.5
110.06073	3.0
110.09685	56.4
111.07371	2.3
112.07610	3.4
118.96117	2.3
120.04462	4.2
120.08122	39.2
122.06017	12.5
124.07571	6.1
127.03870	4.7
134.05997	3.1
136.07597	19.1
137.05994	8.1
138.08162	3.5
138.09157	68.2
144.04489	3.4
146.06029	2.6
147.04401	2.8
148.07593	7.7
152.07101	4.5
159.19405	2.2
160.03954	4.0
160.07605	5.0
164.07123	4.3
166.08653	63.7
172.04031	5.8
188.07013	3.4
190.05119	2.8
198.07845	2.8
199.08658	8.5
204.06558	5.3
209.10748	3.3
211.08644	9.6
213.06628	13.5
213.10219	7.8
223.08603	6.5
223.12369	2.2
224.09357	3.1
225.06642	13.8
225.10222	9.9
226.10983	3.7
227.08189	4.8
227.11826	5.0
235.08659	6.0
235.12248	3.2
236.09433	3.3
237.10295	14.7
238.11038	5.1
239.08090	9.4
239.11836	8.4
240.12462	2.2
241.09776	5.2
243.11263	5.3
246.72163	2.3
249.10268	22.0
250.10956	7.1
251.08199	17.3
251.11815	18.7
252.12563	3.6
253.09674	6.7
253.13223	4.9
253.49207	2.6
255.07651	5.1
255.11211	4.3
257.12540	2.6
261.10126	4.0
263.08206	5.2
263.11710	7.9
263.36783	2.3
264.08798	3.8
264.12491	3.5
265.09811	11.2
265.13324	6.3
267.11267	8.0
269.12985	10.5
271.10800	3.1
273.12457	6.8
277.09665	8.1
278.10477	5.2
279.11246	12.5
280.11966	2.5
281.09424	4.0
281.12738	4.9
283.10757	10.0
285.12314	4.6
291.11182	5.4
293.09219	6.1
293.12643	2.9
295.10773	3.8
296.11734	3.0
297.12213	6.7
299.13956	5.3
301.12955	3.8
302.13107	3.1
303.13834	3.7
305.09003	4.0
309.12280	8.3
311.10339	4.5
311.13873	4.8
314.12900	4.4
314.16553	4.5
315.10959	2.8
316.14368	5.8
318.12546	5.4
323.10181	6.4
324.11096	4.0
325.11960	4.2
326.12839	4.9
326.16492	2.5
327.13593	13.1
328.10916	3.9
328.14636	3.9
329.11478	8.4
330.12442	5.5
330.16019	4.4
331.13141	2.4
332.13895	6.1
334.15643	2.9
340.11035	3.6
341.11520	2.9
342.12393	4.9
343.13477	5.1
344.14059	11.8
345.14651	2.9
346.11786	2.6
346.15585	4.2
354.12308	3.2
355.13571	3.1
356.13928	7.1
357.14844	3.8
358.15561	7.8
360.13144	3.4
368.14059	4.6
369.14389	7.6
370.15714	4.6
371.12552	12.8
372.12952	3.5
372.17206	4.4
373.14569	4.1
374.14917	6.2
378.14352	4.3
382.15463	2.7
384.17322	5.1
386.15024	5.1
387.15686	6.7
388.12451	5.1
388.16721	8.4
389.13629	10.9
398.15140	4.3
400.16489	9.9
401.13870	5.1
402.14142	4.5
403.15909	3.5
412.16711	4.4
415.15091	4.1
416.16226	22.3
418.17633	8.3
420.15405	2.5
428.16122	13.2
430.17786	10.9
432.14566	2.7
434.17200	22.7
438.15094	4.2
444.15552	33.3
446.17114	27.8
452.18085	5.2
456.15454	16.0
458.17023	2.9
462.16602	58.3
463.17026	3.7
464.18170	3.6
473.15213	4.3
474.16553	68.0
476.18234	5.4
480.17587	42.6
488.17908	2.7
492.17679	17.6
494.19284	38.2
506.19238	47.5
512.20306	100.0
524.20325	74.6
581.23950	8.8
599.25134	20.4
609.23486	23.2
627.24542	96.5
641.25995	47.2
645.25635	46.5
659.26984	64.6
677.27679	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	677.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	0.8
67.74170	0.3
68.23547	0.3
68.57948	0.4
69.50541	0.9
69.50945	1.5
79.05495	0.4
81.03396	0.5
81.07078	0.6
91.05469	0.4
93.07039	0.5
105.07007	0.6
109.26023	0.4
133.10066	0.5
133.33780	0.4
148.44208	0.4
150.91249	0.4
185.04280	0.5
259.07965	0.6
328.43933	0.4
347.09702	1.1
387.16931	0.4
515.31952	26.7
516.32495	0.5
677.37177	100.0
678.37640	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01849	2.5
55.05521	12.5
57.03428	6.2
57.07069	4.5
61.02932	16.5
65.03941	3.3
67.05507	82.1
69.03423	3.9
69.07072	12.7
69.30613	10.1
71.04973	3.7
73.02943	8.3
79.05499	47.6
81.03424	1.9
81.07059	84.1
82.07375	1.7
83.08640	8.8
85.02911	22.7
85.06540	3.7
91.03962	17.6
91.05482	23.0
93.07050	60.6
93.07641	3.1
95.04963	2.2
95.08610	75.1
97.02908	11.0
97.06522	3.6
97.10162	4.8
99.04478	2.5
99.08074	2.6
105.06400	2.1
105.07037	19.5
107.08600	43.5
109.06550	1.7
109.09396	1.9
109.10158	33.5
117.07029	8.5
119.08595	15.9
121.10143	31.5
123.08080	2.5
123.11707	20.2
124.34241	1.7
125.09641	1.8
127.03938	7.3
131.08594	19.2
133.10153	14.7
135.11702	32.1
137.09589	2.1
137.13283	8.7
145.04971	9.8
145.10139	19.6
147.11714	10.5
149.13272	19.8
151.11159	3.3
151.14731	2.7
159.11699	14.9
161.13264	14.6
163.06030	16.4
163.14839	17.3
165.12849	2.6
173.13280	15.3
175.14832	3.9
177.12784	1.5
177.16382	6.4
179.14355	2.5
187.14830	8.4
201.16290	1.9
205.15851	2.0
215.18011	1.7
219.17383	1.9
223.27652	1.6
224.56592	1.5
233.22632	5.7
243.21078	38.4
244.21581	1.4
261.22147	100.0
263.23584	2.0
279.23257	6.0
317.24597	1.8
335.25818	36.2
353.26895	47.1
365.95895	1.6
431.01462	1.7
497.31476	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	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
53.64339	1.5
55.05515	15.9
55.41911	1.7
57.03444	4.1
57.07083	3.3
61.02931	28.9
65.03951	2.6
65.46492	1.4
67.05507	71.1
69.03412	3.0
69.07072	12.1
70.96177	3.2
70.96558	2.8
71.04978	4.5
73.02910	11.0
79.05495	45.8
81.03432	3.2
81.07059	84.8
83.08621	7.5
85.02912	32.4
85.03429	1.2
85.06563	3.0
91.03959	26.3
91.05485	28.1
93.07047	62.2
95.04955	3.4
95.08611	64.4
97.02885	13.5
97.06522	1.8
97.10180	4.2
99.04450	1.9
99.08092	3.4
105.07045	18.4
107.08597	41.6
109.06528	2.0
109.10165	35.9
111.08078	2.7
111.11764	2.3
113.09613	1.9
116.06349	1.6
117.07041	10.0
119.08597	20.3
121.10152	38.6
121.11038	2.1
123.11726	16.8
125.09635	2.5
127.03921	9.8
131.08566	22.7
133.10150	17.1
135.11694	30.1
137.09628	2.6
137.13281	7.2
139.11186	1.7
143.08603	1.6
145.04964	13.0
145.10152	17.6
147.11668	12.1
149.13257	20.7
151.11165	3.0
153.12740	1.7
157.10220	1.7
159.11702	17.5
161.13286	11.8
163.06020	22.5
163.14828	14.9
165.12732	3.3
173.13293	16.5
175.14816	4.1
177.16383	8.8
179.14308	3.0
187.14877	9.5
191.14360	2.0
201.16364	4.9
205.15933	2.3
233.22684	5.1
243.21089	39.2
261.22134	100.0
279.23230	3.2
335.25787	16.9
353.26846	38.7
353.30957	2.7
378.87411	1.8
497.30893	4.7
617.22504	1.6
677.34448	1.9
677.55664	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13648	0.3
53.03954	0.7
56.05040	7.1
57.03442	1.4
60.59422	0.2
61.55873	0.2
69.03436	1.5
70.06598	1.2
70.60103	0.5
71.04984	0.5
74.06087	100.0
75.04502	0.4
75.06433	0.3
81.03419	1.5
84.04511	4.1
85.02902	1.2
86.06083	1.4
97.02888	2.2
98.06067	9.0
99.04459	0.6
102.05545	6.4
109.02892	6.0
114.05542	0.8
116.07102	50.8
117.07465	0.4
120.06593	18.6
126.05477	0.3
127.03947	1.2
137.05980	0.7
144.06572	65.6
145.04977	1.8
145.06824	0.4
162.07629	8.7
163.03850	0.3
182.08110	0.6
192.08701	0.4
208.09732	0.2
216.08656	0.6
228.08617	1.7
234.09695	1.0
240.08710	1.9
246.09738	2.6
252.08627	0.5
264.10745	1.5
270.09750	16.7
288.10803	12.4
289.11111	0.3
306.11847	6.4
453.24158	0.3
567.45929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23723	3.8
52.59262	3.0
53.03955	7.5
55.01869	4.4
55.05516	38.2
57.03436	12.6
57.07074	6.5
57.80743	3.5
65.03937	5.7
67.05511	100.0
68.49606	3.6
69.03429	4.0
69.07064	31.8
71.04970	3.9
71.52692	6.0
79.05497	74.1
81.03425	6.5
81.07059	87.8
83.04977	10.7
83.08622	16.3
85.06544	6.9
86.02193	4.2
86.09692	9.9
87.88515	3.4
91.05484	78.6
93.06495	4.6
93.07052	86.2
95.04958	13.8
95.08071	4.6
95.08616	57.0
97.06544	8.7
97.10163	6.0
99.08102	4.1
105.04513	3.8
105.07041	68.0
107.04981	5.3
107.08600	47.2
109.06532	9.5
109.10158	22.9
111.08062	6.0
115.05489	7.0
117.07035	29.0
119.07798	6.5
119.08580	61.1
121.10176	25.0
123.08083	6.3
123.11738	9.0
125.00033	9.2
125.09653	4.6
129.07014	18.6
131.08577	44.4
133.10138	47.6
135.08049	5.5
135.11668	21.5
137.09634	6.1
141.06978	4.4
143.08562	23.4
145.10123	34.4
147.11687	28.6
149.09637	9.3
149.13243	11.2
153.07031	4.4
155.08568	9.4
157.10123	21.1
159.11725	28.9
161.13246	19.7
163.11176	7.9
167.08580	5.9
169.10121	15.1
171.11687	24.6
173.13289	18.0
175.14822	6.1
183.11720	13.7
184.07362	36.9
185.13239	11.8
187.14760	6.9
195.11562	4.8
197.13248	10.3
199.14828	9.7
203.14331	3.8
209.13338	5.9
211.14738	5.2
213.16479	5.1
223.14680	4.2
227.18071	4.5
241.19566	11.9
255.15865	17.6
257.19095	4.5
259.20532	31.3
261.22131	4.5
269.17386	8.8
275.20120	14.8
280.24527	3.4
280.38248	3.7
326.36670	3.5
333.24234	28.3
349.23834	10.0
367.24884	4.1
513.36121	22.7
515.38171	7.4
527.37323	32.7
533.39618	5.7
607.43207	17.1
625.44708	23.7
678.47137	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	678.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.8
55.01864	7.9
55.05519	28.3
57.03438	21.2
57.07057	4.0
65.03941	3.4
67.05509	100.0
69.03440	2.8
69.07077	59.5
70.91421	4.7
70.91768	2.5
71.04993	19.2
71.08629	3.4
73.02925	4.8
79.05496	92.7
81.03424	11.7
81.07062	93.8
83.04993	13.0
83.08614	13.1
85.06539	5.7
86.09705	2.7
91.05489	67.0
93.07048	91.0
95.04974	16.6
95.08612	57.3
97.06537	87.8
97.10146	4.2
99.08093	5.9
103.05466	3.6
105.04491	2.6
105.07039	46.3
107.04954	9.3
107.08607	46.7
109.06541	14.3
109.10157	28.3
111.08093	7.5
115.07574	35.3
116.24619	2.3
117.07021	20.3
119.08592	23.4
121.06501	7.4
121.10146	27.0
122.45580	2.1
123.08098	4.2
123.11687	5.0
125.09672	4.0
127.07518	3.1
129.07007	8.7
131.08578	29.2
133.06494	3.7
133.10146	29.8
135.08047	10.0
135.11696	19.2
137.09641	3.1
143.08601	5.1
144.09294	2.8
145.10133	18.8
147.08046	5.2
147.11707	13.9
149.09625	6.6
149.13275	10.9
151.11160	8.2
155.08546	4.3
157.10110	6.3
159.11664	14.7
161.09578	4.1
161.13255	9.2
163.11157	2.8
163.14754	2.2
169.12305	2.2
171.11711	5.2
173.09529	2.7
173.13242	5.6
175.11218	3.2
177.12759	5.9
179.14310	4.8
183.11729	2.3
184.07349	8.3
185.13251	3.7
187.11331	2.3
187.14842	2.2
195.13902	4.1
199.14890	4.2
217.15855	6.1
237.16197	3.5
245.18842	2.1
253.14380	15.5
255.17645	2.6
259.20560	2.8
261.22174	7.1
263.20251	2.9
267.15878	2.3
269.17422	7.1
273.18552	22.1
275.20071	5.7
277.21609	3.0
291.19577	10.1
293.21106	5.8
297.17130	2.8
317.24899	2.6
333.24261	5.7
335.22070	3.9
335.25815	44.7
347.22122	6.1
363.25705	4.7
365.23273	9.1
367.24802	4.5
529.38947	49.8
529.46259	1.8
531.36066	2.4
557.38440	2.8
607.43567	3.3
625.44666	15.6
643.45410	7.5
678.29907	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	678.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01871	11.3
55.05518	47.8
57.03441	19.3
57.07064	6.9
58.87701	2.4
59.04973	3.2
65.03938	3.2
67.05509	76.1
68.05840	3.6
69.03429	5.2
69.07070	34.9
70.06565	3.3
70.51915	2.8
71.04990	8.3
71.08640	20.1
71.13271	6.3
79.05495	55.8
79.72689	2.8
81.03426	13.2
81.07063	100.0
81.07537	5.7
83.01364	5.7
83.04990	18.7
83.08620	28.9
84.08158	2.9
91.05496	39.6
93.07050	56.6
95.04970	14.0
95.08614	52.4
97.02915	3.6
97.06534	23.0
97.10170	13.8
99.04417	3.3
99.08096	10.1
105.07023	29.0
107.04937	13.0
107.08611	30.9
109.06522	12.2
109.10165	18.7
111.04424	6.0
111.08119	6.5
116.07098	4.5
117.07002	8.1
119.08574	27.3
121.06526	8.5
121.10144	26.0
123.08060	10.1
125.09628	8.4
125.60118	3.0
129.06995	3.2
131.08591	10.9
133.10130	13.7
135.07999	6.7
135.11691	27.0
137.09625	6.0
143.08525	6.1
145.10132	17.0
147.08070	4.3
147.11702	8.6
149.13278	7.0
151.11197	6.1
153.12761	5.8
155.78487	2.6
157.10100	2.9
159.08049	6.2
161.13252	8.0
163.11176	18.8
173.09483	4.0
177.12706	4.2
179.14319	28.1
179.22728	2.8
181.12260	5.6
184.07314	4.2
187.11107	3.0
189.11200	5.2
191.10738	5.8
193.12439	4.2
209.11745	13.1
221.85683	3.9
227.12785	18.8
261.22626	2.8
267.15967	4.3
271.17090	6.7
275.19894	4.8
277.21594	19.7
283.15363	48.0
286.20029	3.3
289.17920	8.5
293.21136	38.8
307.19095	7.4
313.27359	4.0
325.20572	2.9
335.25690	9.9
337.27380	70.9
351.25293	12.5
367.24744	21.6
381.22763	34.7
545.38416	56.9
575.34277	3.5
625.44391	8.6
635.28271	10.2
643.45654	65.9
644.45325	3.0
678.47852	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	680.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31202	2.3
55.05499	5.8
57.07082	46.2
67.05525	11.3
67.05831	2.3
69.07064	8.7
71.13196	4.0
79.05489	5.3
81.07066	17.5
83.04993	2.9
83.08617	4.3
85.06457	2.2
91.05491	11.7
93.07030	7.7
95.04907	2.4
95.08604	11.1
97.06550	3.4
105.04118	2.6
105.07024	6.5
107.08605	5.0
109.06514	4.6
109.10143	6.7
111.04455	6.3
114.81729	2.6
119.08559	4.8
125.05991	3.1
133.10092	4.6
135.11717	2.7
137.05989	37.8
147.11748	10.9
161.09630	4.4
163.11153	2.9
233.03529	3.1
251.04692	14.7
277.18045	15.9
295.18958	2.7
311.26974	2.7
327.07813	98.3
337.27316	11.0
339.28943	7.4
351.21716	4.2
383.14081	57.6
439.14255	4.4
439.20361	91.1
440.20715	2.6
495.26599	84.4
515.98151	2.6
551.32855	37.4
556.72137	2.5
607.39154	100.0
607.49054	4.9
613.44647	23.3
627.22729	2.6
645.46918	6.1
663.45392	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47018	2.5
53.03942	5.9
55.05515	21.8
57.03431	7.0
57.07075	3.5
67.05508	48.0
69.07071	17.3
69.81732	5.1
69.82134	11.6
71.08633	44.3
79.05497	41.0
81.03415	9.1
81.06596	4.3
81.07060	66.7
81.31131	2.5
83.04977	8.6
83.08624	14.1
91.05480	34.4
91.54031	2.5
93.07042	59.1
95.04972	8.9
95.08606	34.3
97.06536	9.9
97.10151	5.1
98.20749	3.1
99.08089	24.1
105.04433	3.1
105.07030	23.3
107.04963	4.8
107.08591	32.4
109.10143	13.6
113.30029	2.6
117.06998	4.7
119.08585	19.7
121.10151	31.7
121.35385	2.5
123.08108	3.4
125.09600	3.8
129.06976	3.8
131.08565	10.2
133.10106	14.2
135.11725	27.9
141.09111	3.8
143.08531	3.8
145.10124	6.3
147.11702	5.0
149.13289	11.4
151.11166	22.4
159.11662	4.5
161.13234	13.8
163.11165	7.0
177.12756	3.6
179.12750	5.0
179.14316	70.9
195.13849	4.6
235.16852	3.6
251.16409	2.8
259.20523	4.7
269.17557	14.7
277.21661	59.3
288.80859	2.7
293.20978	8.0
295.22760	5.2
351.25299	46.3
443.53772	2.9
462.57648	2.8
545.38373	100.0
627.46204	29.2
649.54291	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.9
54.52505	2.9
55.01854	5.9
55.05518	28.6
55.80740	3.3
57.03428	11.5
57.07085	5.9
59.92682	3.4
65.03939	4.0
67.05508	96.1
69.07074	52.3
70.63810	5.5
70.64148	5.3
71.04985	20.5
73.02905	5.5
74.09718	5.3
79.05496	50.1
81.03429	5.7
81.07058	100.0
82.65716	3.1
83.04969	14.1
83.08630	16.0
85.06584	4.6
91.05490	42.0
93.07048	54.8
95.04965	17.8
95.08607	55.5
97.06531	83.9
97.10156	5.8
105.07029	27.4
107.04949	9.8
107.08604	29.6
109.06543	9.2
109.10169	18.4
111.08085	6.2
115.07569	37.2
117.07024	10.9
119.08568	19.1
121.06506	5.1
121.10154	16.9
123.08087	3.7
123.11736	5.5
124.64650	3.9
129.07007	4.3
131.08586	14.9
133.10127	20.7
135.08078	8.8
135.11711	11.8
145.10152	8.3
147.08128	3.4
147.11703	7.5
149.13269	7.8
159.11707	7.2
161.09581	4.4
161.13176	3.9
169.10211	3.4
171.11703	5.3
173.13303	3.6
177.12743	6.0
193.25011	3.9
195.13614	4.1
199.14784	4.5
205.12311	4.5
217.16022	4.2
227.18004	3.9
253.14456	5.2
263.23822	3.4
269.17532	8.9
273.18472	29.7
291.19565	11.1
327.07858	4.8
335.25885	4.1
337.27423	50.5
347.22043	7.9
365.23001	7.6
365.27054	7.2
420.28571	3.6
455.13165	3.3
509.72498	3.3
517.39026	4.3
531.40424	48.9
609.44086	5.3
627.45538	13.0
645.47614	5.6
681.27979	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	681.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19622	1.8
53.03941	3.6
55.01854	2.9
55.05520	23.1
57.03442	8.6
57.07053	3.4
65.03952	2.7
67.05509	60.6
68.65340	2.0
69.03407	1.8
69.07071	16.8
71.05006	3.2
71.52235	2.4
77.03916	2.0
79.05499	32.7
81.03434	3.6
81.07061	59.2
83.04977	4.6
83.08620	10.8
85.06512	2.3
91.05488	22.9
93.07053	42.5
95.04961	7.6
95.08614	42.5
97.06519	3.5
97.10153	3.7
102.51719	1.6
105.07037	17.2
107.08604	18.5
109.10165	19.1
115.05482	4.2
117.07010	7.9
119.08589	11.7
121.10155	17.5
123.08078	3.5
123.11697	5.4
125.09579	2.7
128.06223	5.0
129.06984	7.4
131.08591	13.2
133.10153	10.8
135.11667	8.9
137.05968	4.7
141.06982	12.6
143.08554	8.4
145.06511	2.2
145.10109	9.7
147.04434	2.0
147.11665	8.2
149.05948	2.5
149.13275	4.2
152.06181	3.6
153.06999	10.7
154.07654	2.6
155.08563	14.4
157.06488	11.5
157.10199	2.7
159.08064	3.1
159.11658	5.1
161.06017	3.3
161.13231	5.1
163.03940	2.4
163.11198	2.9
163.14838	3.3
165.07002	6.4
165.12688	2.3
167.08542	15.4
169.06488	10.7
169.10095	4.5
171.08049	23.7
171.11668	3.4
173.06020	10.3
173.13290	3.9
174.13936	1.8
175.07599	5.1
178.07846	2.1
179.08510	8.4
180.09506	1.8
181.06500	40.9
181.10094	9.6
182.07185	2.4
183.08063	45.1
183.11673	4.0
185.05994	4.0
185.09512	2.9
186.06718	2.5
187.07555	15.4
187.14906	2.1
189.09135	2.2
190.07884	1.9
191.07115	3.8
191.08615	4.5
192.09222	2.1
193.06612	2.1
193.10139	5.5
194.07402	2.0
195.08052	19.7
195.11664	1.7
197.05978	4.7
197.09642	13.2
199.07555	100.0
201.09076	12.7
203.08617	1.9
205.10143	5.0
207.08089	10.1
207.11627	4.8
208.08748	3.2
209.09622	20.5
211.07602	3.9
211.11212	2.9
213.09134	13.3
215.07028	2.1
217.10207	2.4
219.08034	4.1
219.11671	2.7
220.08904	2.4
221.09671	9.7
221.13174	2.3
223.07526	2.3
223.11275	8.4
224.08400	2.0
225.09171	9.6
227.10681	4.4
233.09622	6.8
233.13335	3.1
235.11108	3.4
237.09106	3.5
237.12627	2.8
237.16411	5.2
243.21033	3.0
245.09599	2.9
246.10458	4.9
247.11115	3.2
247.14804	4.6
249.12831	4.6
251.10757	3.3
251.14328	2.8
253.15878	4.0
259.11139	2.4
259.20584	2.3
261.22244	9.2
263.14313	2.4
265.15848	15.5
275.14279	15.0
277.15845	2.0
281.15393	6.3
283.17010	10.1
293.15491	19.3
303.17801	1.9
309.14896	4.2
311.16458	48.9
315.16019	1.9
321.18402	4.3
323.16409	2.1
329.17474	30.3
333.18777	2.1
333.24252	2.3
335.25818	70.2
336.25851	2.2
337.18021	6.9
339.19400	2.9
349.17957	11.3
349.21814	2.4
355.19189	3.6
367.19083	13.8
383.18033	2.2
385.20218	28.4
403.21112	17.6
501.29962	2.6
553.36920	9.7
571.37561	7.9
589.38550	3.2
627.40265	4.0
645.41528	21.2
646.41211	2.0
663.42596	28.8
681.33435	2.5
681.43591	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	681.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.2
51.37359	1.3
51.95681	1.3
53.03938	4.6
55.01864	3.1
55.05276	2.3
55.05517	25.6
57.03450	7.8
57.07056	1.8
65.03939	2.5
67.05510	49.0
67.70203	1.2
69.07072	14.4
69.90446	4.2
69.90845	2.4
71.04994	2.2
79.05499	32.2
79.05955	1.1
81.03411	2.7
81.07062	48.8
83.04985	3.3
83.08626	9.7
91.05484	23.6
93.06493	2.4
93.07052	32.0
95.04953	4.7
95.08613	36.8
95.97182	1.3
97.06519	3.9
97.10156	6.0
101.73788	1.4
105.04443	1.2
105.07040	19.2
107.08601	18.0
109.06495	1.6
109.09572	1.5
109.10178	15.0
111.08042	1.6
115.05443	5.0
117.07038	6.6
119.08595	10.9
121.10172	13.1
123.04382	1.5
123.08076	2.9
123.11699	4.0
125.09615	3.3
128.06218	6.8
129.07010	9.1
131.08578	11.6
133.10141	7.2
135.11768	6.7
135.12662	1.5
137.05954	2.9
141.06992	13.6
142.07710	1.2
143.08577	7.2
145.06494	3.4
145.10109	6.6
147.11673	5.3
149.05911	1.5
149.13237	4.9
152.06169	3.2
153.07014	9.6
154.07756	1.3
155.08566	16.6
157.06462	9.1
157.10133	3.4
159.08060	2.7
159.11682	4.0
161.05965	1.8
161.13257	5.8
163.07582	1.7
163.11214	1.7
163.14803	3.4
165.05664	2.3
165.06953	7.3
166.07849	2.4
167.08569	13.4
168.09285	1.6
169.06482	9.1
169.10146	5.3
171.08060	25.0
173.05981	12.1
173.13277	3.9
175.07529	2.9
177.09088	3.1
178.07751	3.2
179.08595	8.6
180.09315	1.9
181.06491	41.0
181.10075	9.6
183.08069	45.3
183.11665	3.4
185.05965	4.0
185.09602	8.4
185.13257	2.3
186.06781	3.5
187.07573	13.5
189.09032	1.4
189.16264	1.6
190.07695	2.2
191.07004	4.6
191.08614	5.7
191.14433	1.5
193.10136	5.4
194.07315	3.6
195.08061	16.5
195.11696	4.0
197.05934	3.5
197.09586	9.4
199.07555	100.0
201.09148	14.9
203.06905	1.4
203.08582	2.0
205.10229	6.1
206.07314	1.6
207.08083	12.3
207.11687	2.7
208.08830	2.8
209.09633	19.6
209.13223	1.7
211.07515	3.3
211.11182	4.9
213.09105	16.2
215.06989	2.2
218.07159	1.7
219.08032	4.9
219.11665	2.9
220.08842	2.3
221.09618	9.8
222.10378	1.5
223.07547	2.0
223.11211	7.6
225.09151	7.7
227.10654	4.3
229.08429	1.9
231.11603	1.5
233.09718	7.4
233.13222	3.2
234.10341	1.7
235.11082	3.5
237.09137	3.8
237.12782	2.8
237.16370	4.4
239.10730	4.0
243.11655	1.4
243.21046	2.9
246.10258	1.6
247.11118	4.0
247.14835	4.6
249.12793	3.1
251.14372	2.8
259.20560	2.2
261.22211	9.8
263.14374	2.0
265.13074	2.0
265.15860	14.5
267.14111	1.4
267.17212	2.0
275.14362	15.5
277.15854	2.8
281.15259	3.7
283.16971	10.4
293.15405	20.5
295.16791	3.1
297.14938	2.4
303.17392	2.4
307.17023	2.2
309.14914	2.7
309.30911	1.4
311.12830	2.6
311.16425	49.3
313.18182	1.5
319.16800	1.4
321.18466	3.0
323.16412	3.1
325.18011	1.9
327.15997	2.6
329.17490	32.2
335.25833	47.6
337.17993	7.5
337.27441	1.9
339.19620	1.7
349.18048	7.7
355.18906	3.2
359.19443	1.4
367.19095	12.1
371.18958	1.5
383.18515	2.1
385.20151	24.4
403.21243	21.9
441.27612	1.6
541.36871	1.6
553.36841	8.0
571.38019	8.6
589.38306	2.5
609.38757	1.5
627.40210	5.3
645.41431	17.9
663.42639	25.4
681.43811	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	681.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01879	1.9
55.05516	23.8
57.03446	7.6
57.07075	2.9
65.03943	3.6
67.05508	58.5
69.03415	1.7
69.07066	15.4
71.04998	1.9
71.52566	2.5
74.34078	1.2
77.71006	1.3
78.69275	1.2
79.05497	33.4
81.03428	2.2
81.07059	49.9
83.04992	2.1
83.08627	10.2
85.06561	2.9
86.24399	1.6
91.05487	18.9
93.07050	35.3
95.04971	3.4
95.07989	1.6
95.08607	33.0
97.06516	2.5
97.10178	3.3
105.07030	17.9
107.05000	1.7
107.08615	15.0
109.06484	1.4
109.10157	13.5
109.79458	1.2
111.08109	1.6
115.05442	3.6
117.07022	6.0
119.04916	1.7
119.08575	12.5
121.10168	14.7
123.04465	1.6
123.08073	3.1
123.11683	3.5
125.09641	3.6
128.06238	5.9
129.07033	7.8
131.05026	1.5
131.08577	13.3
133.10132	8.6
135.11694	8.3
137.05995	4.0
141.06993	16.0
143.08562	7.3
145.06482	3.5
145.10155	6.6
147.04355	1.8
147.11684	6.1
149.06000	2.0
149.13257	5.9
152.06248	1.8
153.06993	10.0
154.07793	3.0
155.08572	18.9
157.06482	8.0
157.10167	4.8
159.08037	1.6
159.11696	5.1
161.05968	2.2
161.13245	3.5
163.07526	2.1
163.14838	3.0
165.05695	2.6
165.06932	7.6
166.07834	2.4
167.08566	11.1
169.06523	10.6
169.10170	6.0
171.08055	25.2
171.11717	1.6
173.05956	9.9
173.13293	4.3
175.07527	2.7
175.14871	2.3
177.09140	2.7
178.07861	3.3
179.08589	9.1
181.06483	39.1
181.10075	10.8
182.07254	2.0
183.08066	44.0
183.11641	1.7
185.06030	4.1
185.09676	5.9
185.13184	1.6
186.06824	2.1
187.07539	16.0
187.14761	2.8
189.09138	3.5
191.07028	3.6
191.08592	5.2
193.06575	2.0
193.10173	4.1
194.07233	4.5
195.08092	20.7
195.11778	3.7
197.06001	4.5
197.09659	12.8
198.06723	1.7
199.07552	100.0
200.08051	1.6
201.09111	16.7
203.08659	2.4
205.10098	3.9
206.11119	1.5
207.08041	13.4
207.11713	3.7
208.08867	3.3
209.09608	23.4
209.13106	1.6
211.07619	4.7
211.11249	4.8
213.09114	14.6
215.06934	2.1
215.10625	1.5
217.10245	2.5
219.08069	4.3
220.08841	2.4
221.09544	6.3
221.13263	2.4
222.10370	1.8
223.11214	7.3
223.14738	2.2
224.08398	2.0
225.09084	6.4
227.10699	5.4
231.11705	2.8
233.09604	7.5
233.13271	2.7
235.11218	3.5
237.09032	3.1
237.12767	3.1
237.16368	3.7
239.10680	3.7
243.21014	2.0
245.09621	2.1
247.11200	3.6
247.14861	4.3
249.12767	4.0
251.10681	3.2
251.14314	4.8
253.16055	2.0
257.13284	1.8
259.11096	2.8
260.12207	2.2
261.12784	1.9
261.22095	7.7
263.14340	2.9
265.12125	1.5
265.13098	1.7
265.15845	14.2
267.13919	2.3
269.15500	1.9
273.12720	1.7
275.14331	14.3
281.15463	3.2
283.16962	11.5
293.15369	21.7
295.16956	2.0
309.14911	3.4
311.16455	48.0
313.18134	1.5
315.15875	1.7
317.24634	1.8
321.18497	3.4
323.16376	3.0
323.19934	2.1
325.17953	1.5
327.15906	3.0
329.17493	30.7
331.16791	2.7
335.25806	51.3
337.18015	5.0
341.17291	1.8
349.17883	10.2
351.19513	3.2
355.19208	2.8
363.19699	1.9
367.19037	10.6
383.18292	2.3
385.20099	21.5
403.21130	17.5
421.22430	1.6
445.27048	1.7
525.37280	1.6
535.35626	3.1
550.88763	1.5
553.37018	7.9
571.38007	7.6
589.38739	4.3
627.40613	3.7
645.41547	17.7
663.42706	23.8
681.43408	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	681.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71086	1.2
52.54826	1.4
53.03939	3.9
55.01861	4.3
55.05269	2.0
55.05512	27.1
57.03450	10.1
57.07063	1.4
64.03148	1.3
65.03948	3.2
67.05506	62.6
69.03419	2.0
69.07069	14.4
69.46531	10.7
71.05001	1.8
79.05495	33.4
81.03404	3.0
81.07057	53.6
83.04984	3.6
83.08607	10.8
83.38806	1.3
85.06506	2.4
91.05479	26.0
93.07043	40.4
95.04969	3.4
95.08614	38.3
95.34307	1.3
97.06514	3.1
97.10167	6.9
98.20821	2.6
99.08078	2.2
103.05470	2.0
105.07034	16.1
107.08596	19.2
109.06510	3.1
109.10153	15.3
111.08052	2.0
115.05428	4.0
117.07050	7.1
119.08585	14.4
121.10145	15.4
123.04449	2.7
123.08111	2.5
123.11703	4.7
125.09608	3.0
128.06219	6.3
129.06987	6.0
131.04904	2.1
131.08571	11.4
133.10107	7.3
135.08080	2.2
135.11688	8.7
137.05974	4.6
141.07002	15.6
143.08553	9.4
145.06458	4.9
145.10139	9.3
147.11682	5.9
149.05989	3.4
149.13232	5.3
151.11163	1.5
152.06221	3.2
153.06976	10.6
154.07823	2.6
155.08559	20.0
157.06522	9.1
157.10097	3.9
159.08047	3.6
159.11674	6.1
161.06023	2.8
161.13263	5.1
163.14803	1.8
165.05692	2.0
165.07014	5.3
166.07741	3.6
167.08556	12.4
169.06525	9.8
169.10081	3.0
171.06662	2.2
171.08051	27.6
171.11644	1.8
173.05969	15.5
173.09546	1.6
173.13248	3.7
175.07529	4.6
175.14832	2.2
177.08926	1.9
178.07755	1.6
179.08571	8.6
181.06496	41.8
181.10091	8.4
182.07327	1.5
183.08061	48.5
183.11653	2.7
185.05998	4.0
185.09631	7.3
185.13179	2.5
186.06763	2.2
187.07532	15.9
187.14900	2.4
189.09091	2.8
191.06984	4.0
191.08589	5.4
193.10138	4.4
194.07292	2.0
195.08055	18.5
195.11682	3.8
197.05988	3.8
197.09636	10.2
197.13255	1.6
199.07542	100.0
200.07909	1.7
201.09120	12.2
205.10147	5.3
207.08032	14.9
207.11736	2.8
208.08759	2.7
209.09624	24.0
209.13144	2.2
210.06755	1.8
211.07582	4.5
211.11134	5.2
211.13036	1.8
213.09123	16.0
215.08755	1.9
217.08434	1.7
219.08092	5.0
219.11580	2.1
220.08823	2.0
221.09618	9.1
221.13158	2.3
222.10497	1.9
223.07455	1.9
223.11220	7.6
223.14806	2.0
225.09109	9.6
227.10674	4.8
231.08043	1.7
233.09610	7.5
233.13197	3.4
234.10490	1.8
235.11159	5.6
237.09123	4.7
237.12714	3.0
237.16359	4.3
239.10786	2.4
241.19640	1.5
243.21118	2.1
245.09550	3.2
245.13194	2.3
246.10367	2.1
247.11208	3.0
247.14850	6.3
249.12776	6.4
251.10686	3.1
251.14264	5.1
253.15909	2.7
259.11148	2.9
259.20636	2.4
260.11948	1.9
261.12863	1.6
261.22247	9.2
263.14395	2.9
265.12552	2.4
265.15860	15.9
275.14346	15.3
281.15341	2.6
283.16907	11.3
293.15384	23.1
295.16904	4.0
305.15311	1.9
307.16852	3.3
309.14984	3.1
311.12836	2.5
311.16431	46.0
313.18045	1.7
321.18509	2.8
322.02084	1.4
323.16342	2.8
327.21017	1.6
329.17477	27.3
331.16666	1.8
333.18494	2.1
335.25790	59.5
337.18048	7.3
337.27377	1.6
339.19611	1.7
349.17950	7.9
355.18912	3.2
367.18942	13.7
373.20898	1.5
385.20117	26.9
403.21185	17.7
404.21512	2.1
525.37079	2.0
527.36609	1.6
535.35681	3.2
553.37195	7.0
571.38269	8.3
589.38757	3.4
609.39099	2.0
627.40399	6.6
645.41583	17.9
663.42444	26.6
681.43469	16.5
684.02106	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
53.57002	3.5
55.05515	37.9
57.03428	11.4
57.07076	8.0
60.42929	3.5
67.05506	90.2
68.13352	3.6
69.07078	26.1
69.95535	3.6
71.04989	5.9
71.08629	9.0
71.52834	3.8
75.56585	3.3
79.05505	65.1
81.03421	6.2
81.07062	96.4
83.04958	6.9
83.08636	11.4
85.06541	4.6
91.05487	47.7
93.07054	75.2
95.04974	10.1
95.08616	53.3
97.06519	7.2
97.10165	6.9
99.08106	6.1
105.07034	43.6
107.08595	43.4
109.06466	4.5
109.10175	27.3
111.08105	8.3
115.19214	3.1
116.34859	3.0
117.07029	20.8
119.08618	28.5
121.10167	31.8
123.08151	5.1
123.11673	10.1
125.09645	7.5
129.07016	7.8
131.08563	36.7
133.10135	20.1
135.07951	3.6
135.11716	13.8
143.08583	13.8
145.10159	20.9
147.11702	11.9
149.13272	11.7
151.11206	6.0
155.08597	6.9
157.10194	11.0
159.11711	15.4
161.13289	15.0
163.11246	6.2
163.14809	6.7
167.08481	4.1
169.10170	9.4
171.11650	8.2
173.13293	6.0
175.14827	7.8
187.14833	6.6
199.14867	6.6
211.14839	7.2
213.16347	5.0
227.12778	3.6
228.83470	3.3
260.81778	3.3
261.22147	15.4
269.17447	14.8
277.21707	9.0
292.30807	3.7
297.68762	4.6
313.27344	4.4
317.24619	5.1
322.53207	3.8
335.25735	36.5
342.43436	3.9
351.25146	4.6
403.28342	4.8
405.88419	3.8
435.40329	4.2
437.33798	10.0
473.36136	5.6
489.35812	4.2
511.37701	6.4
515.37427	10.6
529.38916	100.0
530.39746	5.0
547.39941	6.8
560.24023	5.0
611.46790	26.3
629.47864	22.7
651.28015	29.3
665.42975	4.5
682.43286	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	682.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29342	3.9
52.79025	4.1
53.03933	13.4
55.01861	8.4
55.05516	39.4
57.03433	13.7
57.07065	13.5
65.03938	5.4
67.05137	4.0
67.05508	79.6
69.03394	6.6
69.06738	7.0
69.07074	100.0
71.05000	31.1
71.08624	10.1
71.54269	5.5
73.02904	6.9
79.05498	73.0
81.03390	6.0
81.07063	87.0
83.04980	13.1
83.08623	42.9
85.05848	3.9
91.05490	46.4
93.07048	55.0
95.04963	12.2
95.08614	58.1
97.06537	99.7
97.10198	21.7
97.10711	3.6
99.08094	6.4
105.07040	27.9
107.04921	6.8
107.08597	32.3
109.06538	10.4
109.10167	35.1
111.08096	9.7
111.11740	6.6
115.07571	42.3
115.42381	4.8
117.06998	17.1
119.08588	16.2
119.76006	4.3
121.10155	28.1
123.08056	7.8
129.07047	8.0
131.08557	18.6
133.10104	15.3
135.08044	7.8
135.11674	17.2
143.08595	7.7
145.10135	11.2
147.08057	6.3
149.09633	5.0
149.13264	8.1
151.11209	6.2
157.10133	7.1
159.11684	12.3
195.13707	5.0
199.14824	5.4
212.48158	4.5
217.15819	9.6
223.13319	4.2
245.19000	7.3
253.14410	6.7
265.25217	7.7
269.17438	7.6
273.18533	35.1
291.19540	25.9
328.64865	4.3
337.27042	5.4
339.28976	98.3
347.22217	12.3
365.23193	11.4
533.42072	66.2
535.40393	5.4
561.41028	9.8
629.47638	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.05498	1.6
57.03432	1.8
57.06338	0.8
57.32246	0.9
63.70448	0.9
65.03942	1.6
67.05500	4.9
67.33956	0.7
69.03429	4.8
69.07065	1.2
69.52395	4.6
71.16350	0.9
75.04469	2.9
77.03905	0.9
79.05069	1.1
79.05492	11.8
80.30843	0.7
81.03421	5.7
81.07079	5.7
85.02905	7.2
91.05491	13.8
93.07047	64.6
94.04179	1.1
95.04449	0.8
95.04962	5.0
95.08604	10.7
97.02894	1.5
97.06535	0.9
100.67903	0.8
103.05471	1.6
105.04577	0.9
105.07029	10.9
106.04099	1.1
107.04956	3.8
107.08625	4.6
108.05743	2.6
109.02885	2.1
109.10139	4.1
111.04413	2.0
111.08078	3.0
115.05436	2.3
117.07027	2.6
119.04910	0.9
119.08576	9.0
121.06512	5.8
121.10150	65.9
122.03648	2.5
123.08067	2.3
125.06057	1.1
127.03911	2.3
128.06227	1.8
129.06993	3.4
131.04965	1.7
131.08569	5.6
131.15727	0.8
133.07625	1.4
133.10173	1.3
135.04446	1.3
135.08032	1.1
136.05206	4.9
137.05984	41.8
139.07477	0.9
139.11227	1.4
141.07072	0.9
143.04907	0.8
143.08578	2.6
145.04968	1.0
145.06470	3.7
145.10144	1.1
146.03648	1.4
146.07298	4.7
147.08041	3.7
149.05989	3.3
149.09630	31.1
151.07550	100.0
155.08534	1.1
157.06494	4.3
158.07368	0.9
159.08073	1.8
161.05971	10.6
161.09639	0.9
162.06717	1.4
163.07591	4.2
163.11118	1.1
165.05466	1.7
165.09126	10.8
167.10687	25.6
169.06406	1.1
169.10101	1.5
171.08076	2.6
172.08862	1.3
173.05986	1.2
174.06786	3.6
175.07574	7.7
176.08275	1.1
177.05421	1.8
177.09120	17.3
179.07079	3.6
183.08046	1.2
186.06760	1.8
187.07538	2.7
188.08305	2.4
189.05490	4.0
189.09125	23.7
191.07063	2.7
191.10689	3.4
195.08011	1.3
197.09651	1.8
197.13275	0.8
201.09132	9.1
202.09911	1.2
203.07018	5.3
203.09001	1.1
203.10686	6.9
205.08618	2.7
210.10326	1.0
214.90094	1.0
215.10713	1.4
217.08630	2.5
217.12209	0.9
219.10156	4.5
225.12752	3.0
227.07050	3.3
227.10628	1.6
229.08693	1.4
229.12262	6.9
231.13898	1.3
237.11220	1.8
241.08379	1.0
242.13153	1.1
243.10162	0.9
247.09630	7.0
251.12933	1.3
253.12366	1.3
255.10210	1.2
255.13799	1.2
257.15430	10.5
261.11240	2.3
267.13824	2.3
269.11783	1.0
285.14893	10.8
293.13873	1.4
295.13379	1.1
305.11749	5.6
306.12610	1.8
311.14914	3.0
323.12961	1.7
334.45120	1.1
337.14413	2.1
347.12598	1.2
351.15887	2.3
355.15479	10.1
361.14651	1.0
367.15366	2.6
369.17004	2.7
373.16537	5.9
379.15427	6.6
385.16306	2.5
397.16525	8.0
417.33578	1.7
425.19781	7.2
439.17395	2.6
451.17102	0.9
463.17508	2.8
465.23108	6.1
471.21512	1.2
475.24527	1.4
481.18515	4.1
493.25626	6.4
503.24203	9.1
521.25378	12.6
665.29150	3.1
683.33893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.8
59.04985	0.5
61.02925	1.0
69.03087	0.5
69.03436	6.4
69.16206	0.3
71.01366	0.5
71.51775	0.7
73.02927	6.3
81.03423	0.7
85.02911	6.3
87.04489	1.8
91.05474	1.4
94.04184	1.2
96.34155	0.3
97.02905	5.8
100.29480	0.4
107.04928	0.7
107.08573	0.3
109.02929	0.5
109.06510	0.4
115.03929	4.7
117.07044	0.8
119.04996	0.4
119.08606	0.4
121.06509	4.9
122.03672	4.0
127.03936	1.2
131.04976	1.0
132.06580	0.4
133.04959	2.0
136.05193	0.8
137.05986	100.0
138.06328	0.9
145.04933	0.7
145.06433	1.8
146.07263	4.0
147.04437	0.7
147.08035	1.2
149.05998	5.6
149.09616	0.4
150.07637	0.8
151.07561	13.4
159.08090	0.5
161.05965	0.9
162.06778	1.0
163.03903	0.7
163.07500	0.8
164.07185	0.4
164.25623	0.4
165.05495	2.7
174.06752	0.5
175.07556	0.8
177.05515	3.3
177.09117	13.5
179.06998	1.4
182.62445	0.5
182.65019	0.3
187.07559	0.7
189.09117	1.8
191.10716	1.0
201.09108	2.1
203.10690	1.0
205.08531	0.6
217.08658	0.5
217.46901	0.4
219.08249	0.4
219.10172	1.7
220.08871	0.4
231.08084	0.4
235.11357	0.7
237.11221	4.6
245.09628	1.2
246.10413	0.7
262.09958	0.9
263.10754	1.7
273.09106	1.2
274.09885	2.1
275.10492	0.7
277.12289	1.4
290.09348	1.9
291.10284	2.1
294.75406	0.4
295.13370	3.2
305.11761	14.1
306.12399	1.5
322.12094	1.0
323.12805	5.9
337.14365	6.1
355.15427	31.2
373.16479	61.2
374.16818	1.6
385.26462	0.4
421.70978	0.4
433.16568	0.6
451.17410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.03738	0.5
53.03948	4.3
55.01863	2.2
55.05275	0.6
55.05515	8.6
57.03443	3.0
65.03920	1.4
67.05508	26.8
69.03423	0.8
69.07071	6.0
71.04990	1.9
73.06536	1.5
77.03880	0.7
79.05496	41.5
81.03434	4.5
81.07059	22.3
83.04990	6.9
83.08624	3.8
85.02906	1.7
85.06536	1.7
91.05482	29.3
93.07049	42.3
95.04979	10.1
95.08609	13.5
97.02905	0.9
97.06537	2.7
97.10170	1.8
98.20798	0.9
99.08076	0.6
105.04516	1.3
105.07037	23.9
107.04974	3.0
107.08600	9.9
109.06543	3.4
109.10152	2.4
111.08087	0.6
115.05468	0.6
117.07012	5.0
119.08583	15.6
121.06511	2.1
121.10155	1.9
123.08073	3.6
127.07544	1.0
128.06242	1.2
129.07016	9.9
131.08583	1.9
131.72253	0.5
133.06467	0.9
133.10143	6.6
135.08051	0.8
135.11723	1.3
143.08585	5.8
145.10123	6.6
147.08043	2.2
147.11699	20.5
161.09688	2.6
161.13258	7.3
163.11156	1.4
169.10310	0.6
171.11693	16.6
179.14331	0.6
189.12727	7.0
207.13820	20.0
225.14774	1.2
234.32474	0.5
263.16522	1.6
281.17490	45.3
341.92624	0.5
410.49179	0.5
469.29648	2.7
487.30585	100.0
488.30814	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	685.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03750	0.4
53.03953	4.3
55.01867	1.4
57.03428	1.5
60.62734	0.4
61.02928	2.2
61.44769	0.3
65.03956	0.6
65.08983	0.4
66.04714	0.5
67.05502	2.2
69.02326	0.3
69.03434	8.0
71.01350	0.4
71.04982	1.2
73.02901	1.1
79.05510	0.9
81.03426	7.1
82.98115	0.4
83.04970	1.1
85.02911	23.0
91.03967	0.6
91.05486	2.2
94.04182	1.9
95.04975	12.1
97.02897	20.9
99.04478	2.9
99.05090	0.6
105.03387	0.9
107.04964	14.3
108.05753	0.8
109.02150	0.5
109.02894	10.6
109.20483	0.4
111.04433	1.8
113.05993	1.0
115.03928	1.1
115.05489	0.6
117.07015	1.0
119.04919	0.7
121.06513	5.8
122.03674	5.1
123.04437	32.6
125.02390	0.6
127.03926	14.1
129.07025	0.7
131.04953	1.8
133.02858	9.8
133.71167	0.3
135.04442	1.1
136.05190	1.3
137.05983	100.0
138.06229	0.5
143.08578	0.4
145.04971	6.7
145.06483	2.4
146.07268	4.0
147.04466	0.8
147.08063	1.6
149.05998	5.8
149.59947	0.4
151.03914	26.9
151.07550	22.5
153.07016	0.6
157.06516	1.6
159.04364	0.5
159.08049	0.9
160.05228	0.8
161.05983	3.9
162.06766	1.2
163.06052	0.4
163.07553	1.0
165.05548	3.0
165.06810	0.7
165.09131	0.9
167.07173	0.4
167.08531	0.4
169.04979	5.4
171.08052	0.4
172.08824	1.1
173.05997	1.1
174.06779	1.3
175.07576	2.0
176.08351	0.4
177.05525	3.2
177.09119	13.8
179.07069	2.5
181.06474	0.7
183.07979	0.5
185.06081	1.0
187.06033	4.3
187.07597	1.2
188.08310	1.6
189.05463	1.0
189.09097	3.9
191.07039	1.3
191.10773	1.1
197.01974	0.4
201.05447	1.5
201.07347	0.4
201.09134	1.6
203.07034	2.3
203.10590	2.4
205.08676	1.2
209.06070	0.9
211.07727	0.8
213.05304	0.5
213.09183	0.6
215.07127	0.5
217.08583	1.2
219.10167	1.3
221.53291	0.4
225.09138	0.9
226.06232	0.8
227.07115	1.8
229.07994	0.4
231.08156	0.8
235.11377	0.7
237.11223	5.8
240.07854	1.0
241.08621	6.2
245.09807	1.0
246.10411	0.7
247.07500	0.8
247.09712	4.7
249.11224	0.5
251.10701	0.4
255.10150	6.1
258.06741	0.4
259.07510	0.5
261.09381	0.5
262.09750	0.8
263.10654	1.4
265.08606	0.5
267.08704	1.1
273.08994	1.0
274.09927	1.7
275.10648	0.6
277.07190	0.7
277.12253	1.6
290.09390	1.8
291.10168	1.2
295.08279	1.9
295.13303	2.4
305.11734	13.6
306.12491	1.1
319.13287	0.5
322.12186	0.6
323.12766	7.5
337.14255	6.7
348.24054	0.4
355.15411	21.8
373.16486	14.1
379.15311	2.5
397.16653	2.6
421.16638	0.9
431.18439	0.5
439.17633	1.3
459.18030	0.9
463.17453	1.7
477.18979	2.2
481.18454	1.7
489.17975	0.5
627.33228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01875	2.1
55.05515	18.8
57.03439	10.4
57.07084	31.9
65.03930	1.4
67.05186	2.0
67.05512	24.7
69.03439	12.9
69.07072	10.0
70.92618	1.3
71.04984	3.1
71.08633	25.0
79.05499	13.0
81.03424	59.0
81.07063	28.5
83.04990	30.0
83.08625	20.1
85.02907	14.1
85.06560	1.7
85.10192	13.8
89.05998	2.6
91.05482	16.8
91.68470	1.4
93.07050	10.8
95.04981	16.6
95.08073	2.0
95.08619	21.7
97.02908	13.0
97.06516	3.1
97.10159	6.8
99.04478	2.8
99.08123	1.2
103.30604	1.2
105.07047	13.2
107.04977	3.7
107.08606	5.8
109.02887	8.1
109.06520	3.2
109.10168	9.9
111.04456	10.5
111.08095	6.5
117.07043	1.5
119.08586	11.6
121.06480	2.6
121.10143	7.9
123.08064	1.9
123.11689	5.9
125.09659	2.1
127.03931	4.1
129.05502	11.8
129.06972	6.6
131.08606	7.7
133.06500	2.4
133.10121	6.1
135.11676	2.8
137.05983	1.7
142.07800	1.8
145.10109	2.9
147.08041	2.5
147.11705	11.4
149.09592	4.3
153.12721	2.5
157.10135	9.1
163.11205	3.6
165.12752	3.6
175.11201	9.1
181.12248	2.9
191.10617	2.6
193.12263	35.0
211.13313	47.8
211.15327	2.7
227.12704	5.5
229.14316	4.7
239.23697	3.9
240.12633	1.5
249.14906	1.5
257.24738	1.4
267.15918	18.1
285.16980	9.0
296.58463	1.6
313.27393	57.8
335.25824	1.8
337.16525	1.7
355.17465	3.9
365.35199	1.5
411.20108	1.7
429.21216	24.4
489.36090	1.6
498.04370	1.3
505.39001	12.2
523.39978	100.0
524.40393	2.0
530.19781	2.3
589.23535	1.6
593.23309	1.8
617.24030	3.0
635.24994	21.1
653.26501	1.9
667.44293	22.3
685.30481	2.1
685.44177	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.5
55.01873	4.1
55.05514	18.2
56.64725	2.3
57.03437	13.5
57.07079	42.7
67.05510	31.8
69.03435	13.1
69.07067	15.8
71.04978	6.1
71.08634	32.5
74.09705	2.8
79.05499	16.4
81.03425	73.3
81.07064	36.7
82.02869	2.1
82.77134	1.9
83.04986	35.1
83.08627	29.4
85.02914	14.0
85.10198	17.4
87.04461	1.8
91.05500	16.7
91.22421	2.3
93.07052	12.7
95.04973	21.4
95.08617	28.9
97.02908	17.8
97.06519	4.8
97.10167	9.4
99.04469	3.1
105.07039	14.6
107.04957	6.0
107.08598	5.9
109.02873	6.2
109.06512	4.1
109.10155	10.1
111.04479	12.3
111.08086	8.6
119.08578	11.4
121.10133	7.3
123.08053	2.8
123.11707	8.6
127.03910	7.5
129.05551	10.2
129.06973	6.0
130.05017	5.2
131.08574	8.3
133.06497	3.6
133.10101	6.3
135.11746	2.4
137.13239	2.9
145.10185	2.0
147.07751	3.6
147.11711	11.3
149.09602	2.8
153.12776	2.1
157.10133	12.2
163.11201	5.8
165.12721	4.5
175.11209	15.5
181.12244	2.8
193.12254	37.6
211.13297	49.1
227.12828	5.8
229.14389	5.8
239.23761	4.8
267.15985	16.6
285.16992	12.8
313.27405	100.0
314.27612	2.6
317.31744	2.0
323.88174	2.3
337.16684	3.2
355.17603	5.7
383.28079	2.5
411.19965	2.5
418.24277	2.2
429.21295	16.6
458.15738	2.1
505.38934	17.6
523.40002	97.1
524.40747	3.2
653.26306	2.4
667.44312	35.7
685.29272	7.4
685.45441	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	686.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01873	0.6
55.05501	0.3
57.03436	0.8
61.02927	0.5
65.03944	0.3
66.04720	0.3
67.05515	0.4
68.08653	0.2
69.03433	8.8
69.07056	0.2
71.04988	0.8
71.52279	0.3
73.02924	0.5
77.03931	0.4
79.05494	1.4
81.02931	0.5
81.03416	9.6
81.07061	0.8
85.02910	7.7
87.04463	0.4
88.61169	0.2
91.05479	1.1
93.07054	0.6
94.04190	0.8
95.04971	0.8
95.08622	0.4
97.02897	11.6
99.04450	2.4
105.07004	0.3
107.04957	100.0
108.04478	1.9
108.05225	0.4
109.02883	6.7
109.10124	0.3
111.04436	0.3
117.07003	0.8
119.08591	0.5
121.06516	2.7
122.03648	2.3
124.07551	0.6
126.05534	0.9
127.03918	14.2
131.04915	0.8
131.08551	0.3
133.10135	0.4
136.05136	0.4
137.05980	52.9
138.06317	0.8
145.04961	6.1
145.06444	0.8
146.07292	1.8
147.04378	0.5
147.08066	0.7
149.06000	3.1
149.09555	0.4
151.07542	8.0
153.05472	5.8
159.07994	0.4
161.05980	0.9
162.06711	0.4
163.03955	0.4
165.05469	1.6
165.09113	0.5
175.07581	0.5
177.05507	2.3
177.09106	7.8
179.07007	0.6
187.07491	0.3
189.09109	0.8
190.06171	0.3
191.07037	0.6
191.10670	0.5
201.09128	0.9
203.07066	0.3
203.10629	0.4
205.08504	0.5
215.06990	0.4
217.08502	0.6
219.10126	0.8
220.08775	0.4
225.07634	0.5
233.08014	0.4
235.11229	0.4
237.11250	3.7
245.09671	0.5
246.10324	0.5
260.09268	0.3
262.09943	0.6
263.10611	0.8
264.11270	0.3
273.09280	0.6
274.09909	1.2
277.12161	1.0
279.08627	11.8
290.09323	0.8
291.10034	1.0
295.13269	1.9
296.11206	0.7
297.09692	6.4
297.88763	0.3
305.11743	8.6
306.12347	0.8
322.12155	0.5
323.12790	4.7
337.14389	3.6
355.15396	22.5
356.15662	0.3
373.16455	30.2
374.16708	0.7
379.15219	0.6
383.14905	0.3
397.16397	1.3
415.17334	0.5
439.17239	0.3
451.01782	0.3
463.17377	1.1
481.18219	0.9
686.24896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
53.03943	3.1
55.01884	3.0
55.05515	10.3
57.03437	4.7
57.07060	0.7
59.05015	1.1
59.30816	0.5
61.02919	1.1
64.17670	0.6
65.03933	0.8
66.01723	0.5
67.05508	20.3
69.03434	0.8
69.07076	5.0
71.04998	2.4
73.06556	0.6
77.91252	0.6
79.05496	33.2
81.03425	9.1
81.07055	18.0
83.01343	3.3
83.04984	7.6
83.08624	6.1
85.02895	3.2
85.06542	1.3
85.42283	0.6
91.03954	0.7
91.05483	25.3
93.07046	34.7
95.04969	9.1
95.08610	11.3
97.02903	1.7
97.06535	2.5
97.10172	1.8
98.21532	1.4
99.04449	1.4
99.08103	0.6
99.49474	0.6
103.05506	0.7
105.04509	1.2
105.07031	19.4
107.04962	5.9
107.08601	10.3
109.06525	4.8
109.10176	2.8
111.04453	1.0
111.08113	1.6
117.07021	6.5
119.08574	14.3
121.06529	2.1
121.10137	4.9
123.08068	5.7
125.05987	1.3
125.09666	1.0
128.06189	1.0
129.07008	6.9
130.07806	0.9
131.08580	3.4
133.06482	0.7
133.10138	4.2
135.08035	1.7
135.11678	5.7
137.09636	0.7
143.08571	3.3
145.10126	10.5
147.08067	2.3
147.11693	17.1
149.09499	0.6
153.12724	1.3
155.08511	0.6
159.11650	1.0
161.09644	1.4
161.12074	0.7
161.13237	4.4
163.03908	0.9
163.11177	9.0
171.11691	11.2
173.09647	1.9
181.12125	0.9
189.12744	4.0
191.10699	1.1
207.13817	15.0
209.11801	2.0
225.14807	0.9
227.12816	0.7
232.17992	0.6
265.14355	2.0
281.17487	36.8
283.15399	31.7
283.18567	1.2
471.27509	6.0
489.28476	100.0
490.29321	1.3
567.50208	0.7
597.34698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
54.12629	0.6
55.01892	0.6
55.05518	12.5
57.03444	12.0
57.07080	2.4
59.05008	3.8
61.02937	5.2
65.03941	2.7
65.34598	0.6
67.05511	100.0
67.88565	0.6
68.21741	0.6
69.03437	1.8
69.07072	8.6
70.09753	1.6
71.05000	4.0
73.02930	1.0
79.05499	20.0
81.03446	1.0
81.07061	38.1
83.04991	1.5
83.08626	9.2
85.02904	4.5
85.06546	2.7
90.64342	0.7
91.03963	1.4
91.05489	15.1
93.07053	28.1
93.07646	1.6
95.04968	1.6
95.08617	28.0
97.02901	1.9
97.06547	0.8
97.10176	2.3
99.08146	0.7
105.07040	7.6
107.08611	15.5
109.06509	1.5
109.10166	78.9
111.08074	3.4
113.06052	0.7
117.07021	4.2
119.08585	10.0
121.10154	13.7
123.11736	3.1
125.09606	1.3
129.07016	0.8
131.08583	4.7
133.10146	5.7
135.11713	8.3
137.09628	4.2
137.13216	0.9
145.10141	4.0
147.11687	2.9
149.13289	4.8
151.14815	0.8
155.10683	11.3
159.11694	3.4
161.13272	2.4
163.14813	2.9
173.11790	17.4
173.13297	2.6
175.14880	1.4
184.12778	0.7
187.14803	1.9
201.16403	0.9
203.17133	0.6
227.12756	4.6
229.14372	94.8
230.14760	1.5
233.22739	0.9
243.21124	5.2
260.64545	0.8
261.22156	20.0
317.24637	2.7
335.25824	83.3
336.25995	1.6
397.30978	1.5
415.31854	1.1
471.34665	1.9
489.35788	70.6
490.35715	2.2
507.36523	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	686.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00282	0.6
53.03941	1.5
55.01885	0.9
55.05515	13.2
57.03163	1.0
57.03440	13.0
57.07083	1.3
59.04997	4.1
61.02931	4.0
65.03952	2.7
67.05508	100.0
68.05853	0.9
69.03450	1.3
69.07071	7.3
69.46798	3.0
69.47202	1.3
69.63893	0.6
71.05008	4.7
73.02927	1.6
79.05080	0.5
79.05495	17.7
81.07063	35.3
83.04991	0.9
83.08629	8.5
85.02895	3.3
85.06553	2.8
91.03961	2.1
91.05491	11.5
93.07047	24.0
95.04988	1.7
95.08610	24.5
97.02904	2.1
97.06552	1.2
97.10172	1.5
99.08106	1.1
102.29073	0.8
105.07049	5.9
107.08601	12.1
109.10162	76.0
111.08086	2.6
117.07036	2.3
119.08582	10.3
121.10150	11.7
123.11778	3.5
125.09637	1.7
127.03971	0.8
129.06981	0.9
131.08572	6.0
133.10136	4.0
135.11694	9.2
137.09650	4.7
137.13271	1.4
145.10114	3.6
147.11705	3.2
149.13287	4.9
155.10684	10.0
159.11693	3.8
161.13274	2.5
163.14825	2.6
173.11783	16.7
173.13292	3.0
175.14775	0.9
187.14859	1.6
202.11465	0.7
227.12756	4.9
229.14368	94.6
230.14706	1.5
233.22672	0.8
243.21111	4.8
261.22168	16.4
281.92538	0.7
317.24747	2.4
318.74655	0.8
320.19897	0.7
335.25818	66.6
336.26089	1.3
397.31137	1.7
415.32336	1.3
459.09848	0.7
471.34958	1.5
489.35764	41.3
490.36270	1.0
507.36594	3.0
680.46216	0.7
688.44556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.2
55.01873	4.3
55.05513	7.5
57.03437	6.2
57.07058	0.6
59.05000	1.8
61.02928	2.2
65.03916	0.3
67.05508	7.1
69.03394	1.1
69.07067	2.0
69.21983	0.6
69.22388	2.2
71.01336	0.6
71.04990	1.8
73.02886	0.7
79.05491	10.0
81.03422	5.3
81.07054	9.2
83.01344	5.6
83.04980	6.7
83.08620	6.4
85.02908	4.5
85.06510	0.8
91.03914	1.3
91.05478	7.0
91.49097	0.3
93.07045	13.4
95.04481	0.4
95.04969	3.8
95.08082	0.4
95.08606	4.0
97.02895	2.4
97.06007	0.3
97.06526	3.1
97.10132	0.8
99.04461	1.6
99.08081	0.3
105.07034	5.0
107.04311	0.4
107.04958	5.2
107.07896	0.5
107.08593	7.4
109.02837	0.5
109.06519	3.6
109.10123	1.2
111.04429	1.7
111.08037	0.9
117.07015	4.9
119.03594	0.3
119.08584	4.7
121.06499	1.9
121.10142	4.8
123.04426	0.4
123.08067	5.1
125.05952	1.2
125.09608	0.8
127.03857	0.7
129.06973	0.9
130.07735	0.8
131.08557	2.1
133.10124	1.4
135.04382	0.4
135.08035	0.7
135.10713	0.5
135.11691	8.1
137.09578	1.0
139.07484	0.4
139.11189	0.3
140.28905	0.3
143.08533	0.5
145.02834	0.3
145.04944	0.3
145.06430	0.7
145.10130	10.1
147.08023	1.2
149.09601	0.4
153.07005	0.4
153.12741	1.5
155.08505	1.2
163.03912	6.5
163.11185	16.6
173.09595	2.2
181.12244	2.4
191.10646	2.2
209.11719	5.1
217.26648	0.3
217.60822	0.3
227.12874	2.0
283.15393	100.0
284.15717	1.1
325.09161	1.0
329.17429	0.7
459.26596	0.3
491.26419	49.6
492.26688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09918	1.5
53.03936	6.1
55.01871	4.7
55.05512	19.1
57.03434	12.3
57.07085	1.8
57.60660	1.9
59.17986	1.7
61.02906	2.6
65.03922	4.3
67.05505	45.8
68.99388	1.5
69.03431	6.7
69.07071	18.5
69.98162	5.6
69.98579	3.4
71.04985	5.0
77.03957	2.1
79.05494	70.7
81.03422	49.3
81.07059	49.6
83.04984	21.0
83.08615	17.5
85.02912	17.1
85.06526	2.8
91.04905	2.7
91.05483	59.7
93.07044	65.3
95.04970	31.6
95.08604	24.2
97.02889	5.5
97.06532	8.7
97.10165	5.5
105.04498	3.3
105.07029	44.9
105.07698	3.2
107.04949	8.3
107.08613	14.0
109.06506	5.8
109.10155	6.5
111.04428	2.6
111.08090	7.4
111.11718	2.8
115.05581	1.7
117.07025	7.3
119.08579	32.6
121.06506	3.6
121.10151	8.2
123.08067	5.7
123.11745	1.8
127.07565	1.7
128.06194	2.9
129.07001	20.4
129.12712	2.3
129.79977	1.8
131.08586	9.4
133.06534	3.0
133.10141	18.7
135.04398	5.9
135.11693	2.3
142.07825	2.3
143.08569	6.6
145.02901	4.0
145.10114	9.7
147.04367	2.1
147.08026	5.0
147.11693	40.6
149.02353	4.9
149.09599	3.6
157.10126	12.8
161.09641	1.9
161.13257	9.3
163.03908	50.7
163.11217	1.8
171.11691	21.4
175.11200	13.5
189.12746	9.6
193.12248	23.1
207.13776	25.4
211.13283	34.0
233.11703	2.9
259.09781	2.0
267.15918	33.6
281.17480	99.2
285.16992	27.6
325.08859	8.5
329.17346	6.2
388.72293	1.7
473.29010	97.0
474.28976	2.2
491.30060	100.0
492.30310	3.2
566.24231	2.7
597.55469	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
58.19848	0.8
66.00364	0.9
67.05489	1.2
69.03418	1.8
69.07064	1.0
71.52773	1.3
79.05455	1.2
81.03385	1.8
81.07043	3.5
83.08639	0.9
85.02929	1.5
89.03908	1.2
91.05473	1.9
93.07059	1.7
93.08849	0.9
95.08614	1.7
97.02856	1.3
97.06509	1.0
102.03403	3.1
104.04986	1.6
105.07006	1.0
107.08559	1.3
108.04462	1.6
117.03365	2.8
118.96600	0.9
119.04943	1.4
130.02072	1.1
130.02921	11.1
131.08594	1.1
132.04449	1.4
135.04417	4.4
136.07553	2.7
137.05981	7.9
138.09171	5.4
142.07750	1.0
145.02838	3.3
152.03429	16.2
158.02356	3.0
160.03984	4.7
163.03917	33.8
175.07654	1.3
176.03467	3.9
178.04973	5.5
180.02968	1.4
183.09285	1.6
186.01849	6.6
188.03677	2.3
199.07426	1.1
204.02930	75.0
206.04395	2.1
211.08675	19.7
213.10274	1.4
218.04530	1.5
222.03990	46.9
223.08672	2.4
225.10211	2.7
227.08153	1.9
229.13283	2.9
236.05536	16.6
237.10236	1.3
239.08189	12.7
239.11748	1.2
240.10378	1.0
249.10310	1.3
251.08131	5.2
253.09746	8.8
255.07555	1.2
257.09201	1.6
257.12885	2.7
263.08261	1.2
265.09448	1.3
267.11349	1.3
269.09225	2.0
270.09988	1.5
271.10770	8.2
277.09561	1.0
279.07672	1.8
281.09268	4.9
284.09293	1.5
285.08765	1.3
291.07742	1.9
293.09125	3.6
299.10205	6.3
301.11755	6.1
305.09369	1.3
311.10178	1.5
311.16370	1.3
325.08716	4.4
327.09702	1.5
328.10693	1.6
329.17343	2.8
333.15863	2.2
337.07895	1.0
340.10645	2.5
343.09238	2.6
347.12772	1.8
348.13400	1.2
348.17224	2.5
355.09152	1.3
356.10229	1.9
359.13983	1.1
365.18515	2.4
366.12579	1.1
367.09790	1.3
368.10220	2.5
370.11829	2.5
375.16830	1.2
376.16583	58.6
377.16901	1.4
386.11459	1.2
388.16626	2.0
390.18097	2.7
391.16617	1.1
396.09641	2.0
402.18198	1.6
407.14673	2.0
410.11191	1.3
416.16382	5.7
418.17651	62.1
419.17667	1.9
420.15567	1.7
428.12097	1.4
434.17090	1.6
435.17920	3.8
436.18716	100.0
437.19162	2.4
444.19119	1.7
462.16632	11.8
470.17303	4.7
511.19089	1.3
520.16943	1.8
533.17902	1.8
535.19745	1.9
547.19568	3.5
549.21484	1.3
553.20691	1.3
561.17438	4.4
565.20911	1.8
567.22021	2.5
571.21478	2.3
575.19116	2.8
577.20355	1.4
579.19006	5.0
593.20349	11.5
595.21606	2.4
603.18951	2.3
611.12073	1.9
611.21344	31.8
621.20117	8.6
639.20905	60.3
653.22192	2.2
657.22302	6.3
671.23334	13.9
689.23584	4.0
689.49091	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	689.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.8
55.01824	0.8
55.05504	2.2
57.03388	0.7
57.32620	0.3
64.13788	0.4
65.03872	0.4
67.05441	5.9
68.64951	0.3
69.03358	1.6
69.03702	0.6
69.07003	1.4
69.43124	1.0
69.43549	1.7
69.97986	0.3
71.04947	0.9
75.64397	0.3
79.05491	5.4
81.03415	5.9
81.07056	5.3
83.04904	1.1
83.08551	1.2
85.02856	1.0
91.05483	4.7
93.07050	5.7
95.04970	3.3
95.08614	3.5
97.02821	0.8
97.06470	0.5
97.10113	1.0
98.21542	0.4
105.07040	3.2
107.04881	1.1
107.08599	3.1
109.02778	1.2
109.06477	0.9
109.10078	1.6
111.04389	1.0
111.08031	0.6
117.06925	1.5
119.08577	2.9
121.06467	0.8
121.10131	2.2
123.04362	1.5
123.07987	0.4
127.03881	0.8
128.06134	0.5
129.06967	0.9
129.25513	0.3
131.08598	2.2
133.06425	0.7
133.10059	1.3
135.11601	1.4
136.24840	0.4
137.05856	0.4
143.08504	0.7
145.10170	1.7
147.04335	0.7
147.08038	0.7
147.11568	1.3
147.79041	0.4
149.09708	0.4
149.13246	0.5
149.80566	0.4
157.10049	1.1
159.11646	1.1
159.16289	0.4
161.05920	0.5
163.11188	0.8
166.64360	0.4
169.10040	0.8
171.11653	0.6
173.05875	0.4
173.09555	0.6
173.13249	0.6
175.11131	0.7
187.11140	0.6
193.12149	1.4
209.12990	0.4
211.13268	2.8
217.12213	0.5
235.13333	1.7
261.22299	0.8
267.15918	0.7
273.14969	0.9
273.67328	0.4
297.49820	0.4
301.14304	1.3
303.15625	0.4
317.71844	0.4
319.15396	0.4
335.25827	2.4
375.18036	0.9
383.11380	0.5
384.12234	1.1
385.13962	1.2
386.14926	0.6
393.18893	0.4
397.12912	1.6
398.13748	6.5
399.14740	4.7
400.16409	7.5
411.14566	1.4
411.19666	0.7
412.15323	9.2
413.16144	9.6
414.16690	1.4
416.14896	1.9
418.17877	2.0
423.14496	0.6
425.11899	0.8
425.16882	0.7
426.17389	3.3
427.12637	0.6
427.17783	10.9
428.18665	15.1
429.19385	2.5
430.12195	0.6
430.17041	0.5
437.16669	0.4
439.13672	0.5
439.18109	0.7
440.14145	2.0
441.14816	3.4
443.13278	0.7
443.28055	0.4
444.14243	1.4
444.24390	0.4
445.18759	1.6
446.16864	1.1
453.15820	1.1
454.16528	0.4
455.17172	48.5
456.17783	4.6
457.14648	2.5
458.15930	6.9
459.16696	5.8
460.28687	0.4
468.18710	0.5
469.15262	2.2
470.15475	0.7
471.16791	3.7
472.17737	2.4
473.18591	2.0
480.14087	0.8
481.15216	0.6
483.16681	36.9
484.16675	2.2
485.13855	0.7
485.19000	0.7
486.19238	3.7
487.20819	7.6
495.16504	1.3
497.18018	0.8
499.15112	1.7
500.16183	0.7
501.17700	1.8
509.18076	1.5
510.18777	0.5
512.12885	0.6
513.17548	0.7
514.18781	0.5
515.19031	6.0
516.20422	2.3
523.16034	3.5
527.15198	8.3
527.37585	1.1
537.17407	2.0
538.17871	1.1
539.19556	0.4
541.20953	1.0
542.20844	0.5
543.22192	0.5
555.18732	3.7
558.21570	0.5
559.21680	0.7
569.20911	2.6
569.38586	0.9
570.20917	3.3
571.20959	0.4
573.23657	0.5
574.24304	14.8
575.24500	0.6
587.21271	2.5
597.19806	0.9
601.22949	9.8
601.31952	0.8
602.23749	100.0
603.24091	4.6
604.21661	0.5
612.22473	1.0
615.20819	0.7
629.22467	25.6
630.22449	2.9
632.20642	0.4
633.25519	4.9
635.39972	0.7
643.23956	5.3
653.40399	1.3
657.21936	18.6
658.21979	0.7
661.25006	6.7
662.26343	0.5
671.41608	1.4
689.24542	14.6
689.42139	4.7
690.25323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.05496	0.7
65.54794	0.8
67.05493	1.0
69.07081	0.9
71.52104	1.1
75.02397	0.7
78.06152	0.7
79.05491	1.1
81.03436	0.8
81.07050	2.9
85.02895	1.2
87.07744	0.7
89.03886	0.6
91.05467	1.7
93.07043	1.3
95.08612	1.3
96.04436	0.7
97.06522	1.2
102.03419	3.2
104.05010	0.9
105.07027	1.6
107.08580	1.3
119.08598	1.1
121.10165	1.2
126.94147	0.7
130.02910	11.4
132.04439	1.0
134.05988	1.1
136.07594	2.1
137.05983	2.4
137.67500	0.7
138.05516	1.6
138.09157	3.4
139.63759	0.6
140.48477	0.7
142.37027	0.7
145.10149	1.0
147.04451	0.9
150.09196	0.6
151.07516	0.9
152.03432	14.4
158.02390	1.9
160.03938	7.6
162.05487	0.9
163.03900	2.8
176.03474	2.9
178.05019	5.0
180.02925	1.1
180.06651	0.9
183.09242	2.6
186.01869	6.6
199.08739	1.0
204.02937	74.1
206.04543	1.7
208.09966	1.1
211.08694	17.7
211.11951	0.8
212.09319	1.1
213.10297	1.1
218.04575	1.8
220.09749	3.2
222.03989	45.4
223.08678	4.0
224.09343	0.9
225.10364	3.4
227.08202	2.1
229.13358	3.8
235.08743	0.9
236.05551	15.7
236.09340	1.2
237.10242	2.2
239.08151	10.4
239.11838	1.1
249.10384	1.0
251.08138	6.0
253.09752	9.5
254.08096	0.8
257.09271	2.9
257.12857	3.6
263.08194	1.8
265.09875	0.8
269.09314	2.7
271.10773	8.0
277.09851	1.0
279.07629	2.3
281.09244	6.6
284.09201	2.5
285.08817	1.0
291.07751	1.4
293.09167	4.6
297.08786	2.1
299.10242	8.9
300.11331	1.1
301.11890	6.2
305.09210	0.9
305.16568	0.8
311.10406	4.2
312.11389	1.2
315.09814	1.6
325.08307	2.2
326.09399	1.2
327.10083	0.9
328.10931	1.1
330.12192	0.8
331.14368	1.1
333.15884	2.5
337.08176	1.4
339.09842	1.6
340.10913	2.1
342.12506	1.4
343.09329	2.2
347.12741	1.9
347.17282	1.6
348.13394	1.0
348.17136	3.3
352.10718	1.0
355.09650	2.1
356.10440	1.4
357.10983	1.7
359.13983	1.0
361.14267	1.0
365.18640	3.1
368.10492	2.1
369.11282	1.1
370.11914	1.6
375.17072	0.7
376.16583	58.9
377.16507	1.0
382.11996	2.2
388.16833	1.6
389.13492	1.5
390.18173	2.1
396.09808	2.6
398.11392	1.3
407.14899	1.9
408.19571	1.1
410.11490	1.2
416.16077	5.7
417.16992	1.0
418.17657	61.8
419.18213	1.8
420.15744	1.7
428.12344	1.1
432.15570	0.8
434.17282	3.9
435.18118	2.7
436.18729	100.0
437.18954	2.8
444.18909	1.2
462.16626	11.6
463.17432	1.0
470.17297	4.6
488.18008	0.8
490.17532	1.2
511.19318	1.0
520.17316	2.1
527.21704	1.0
533.18365	1.9
534.06873	0.9
535.19666	2.6
539.19281	1.7
547.19861	3.7
549.20917	1.2
553.20618	3.1
561.17920	4.4
565.20874	1.8
567.22235	3.5
571.22046	1.1
575.19678	3.3
579.18701	5.0
593.20319	11.0
595.21478	3.9
603.18365	1.4
611.21442	30.3
612.21686	1.5
613.22894	1.4
621.19971	13.3
639.20892	46.3
640.20844	1.7
653.22382	4.1
657.21869	1.8
671.23553	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	689.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
53.31305	0.5
54.41286	0.5
55.01860	0.7
55.05507	1.4
55.67425	0.5
57.03436	1.2
61.02926	2.9
65.03905	0.4
67.05503	4.6
69.03428	2.3
69.07077	0.9
71.04994	0.8
71.52362	0.5
73.02908	3.1
79.05496	6.4
81.03418	2.3
81.07056	3.9
83.04980	1.1
83.08598	0.8
85.02908	3.1
91.03960	1.3
91.05492	5.3
93.07045	5.1
95.04964	1.9
95.08611	2.4
97.02902	3.2
97.06508	0.5
100.06514	0.4
101.02389	1.1
105.07053	3.7
107.04967	0.7
107.08603	1.6
109.10188	0.7
117.07037	0.9
119.08595	2.7
121.06469	0.6
121.10162	0.7
123.08046	0.7
127.03943	1.2
129.07007	1.8
131.08638	0.6
132.62007	0.5
133.10156	1.3
133.82242	0.5
143.08565	0.7
145.10150	0.9
147.11702	2.7
159.11751	0.6
161.13261	0.7
171.11722	1.9
189.12735	0.5
207.13853	0.6
215.07460	0.5
243.08459	1.2
247.13058	2.3
281.17578	0.6
303.15613	0.8
465.20984	14.6
517.96277	0.5
689.35022	100.0
690.35394	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	689.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.2
53.03949	12.3
55.01873	7.9
55.05512	31.7
57.03442	10.8
57.07074	1.9
58.51958	1.0
59.05006	1.3
61.02939	1.4
65.03938	4.6
67.05507	75.9
69.03432	32.0
69.07070	18.9
69.30901	0.9
71.01369	1.7
71.04995	10.0
71.08655	1.0
73.02934	1.2
77.03950	1.0
79.05497	69.9
81.03422	100.0
81.07059	68.8
83.04988	20.1
83.08621	21.6
85.02909	19.0
85.06548	3.5
87.04469	1.7
91.05004	1.3
91.05485	61.9
93.07048	63.6
95.04974	29.2
95.08612	43.0
97.02897	21.5
97.06543	6.5
97.10161	6.7
98.21551	1.7
99.04472	6.6
99.08113	1.4
101.70138	0.9
103.03964	1.2
103.05486	2.7
103.96632	1.0
105.04552	2.4
105.07035	44.5
107.04974	9.0
107.07879	1.7
107.08604	34.0
107.24544	0.9
109.02888	16.3
109.06532	6.5
109.10168	16.2
111.04447	16.9
111.08088	9.3
113.02320	1.2
113.06048	1.7
115.05499	3.3
117.07030	17.1
119.04990	1.4
119.08588	36.0
121.06494	4.8
121.10146	26.7
123.04469	2.4
123.08072	5.3
123.11719	5.7
125.06084	1.2
125.09671	1.8
127.03931	11.8
128.06248	3.9
129.05492	3.2
129.07011	15.2
130.07770	1.5
131.04918	2.1
131.08571	26.4
131.09549	1.7
133.06529	5.0
133.10141	22.5
135.08093	4.1
135.11685	12.5
137.05920	1.2
137.09702	2.3
141.07054	3.9
142.07794	3.6
143.08582	9.7
145.06523	4.3
145.10124	17.4
147.04509	1.3
147.08087	4.3
147.11697	23.6
149.09618	7.0
149.13239	6.0
151.11159	1.4
153.09183	1.0
153.12808	2.0
154.07761	1.8
155.08592	4.1
157.06557	1.4
157.10138	15.6
159.08144	1.9
159.11687	10.7
161.06049	1.5
161.09682	3.0
161.13268	5.4
163.07555	1.2
163.11127	6.7
163.14772	2.1
165.12790	6.5
167.08583	2.4
169.10095	4.7
171.08083	2.7
171.11740	5.9
173.04466	5.5
173.09637	1.7
173.13272	6.2
175.11205	13.4
175.14890	2.7
177.12808	2.2
181.10216	2.1
181.12267	2.6
183.11752	3.6
185.09715	1.8
185.13289	5.2
187.11223	1.7
187.14900	3.5
189.11234	1.7
189.12819	2.4
191.10614	4.4
191.14366	1.4
193.10413	1.8
193.12253	38.1
195.11728	3.3
197.09720	1.3
197.13315	3.0
199.11319	1.2
199.14886	3.0
201.12848	1.0
201.16417	1.1
203.14330	1.0
207.11789	1.7
209.11615	1.6
209.13376	1.8
211.13284	55.2
213.12871	1.4
213.16556	1.2
215.18279	0.9
217.12216	1.6
217.15685	1.0
223.14960	1.4
225.12752	1.5
227.12599	4.5
229.14346	3.3
235.13394	1.9
241.19751	1.3
243.21198	1.8
249.14862	2.0
259.20709	2.9
261.22171	6.1
267.15918	7.4
271.20853	1.0
273.14920	1.6
275.20160	1.2
283.15466	1.0
285.16922	9.3
301.14380	1.2
301.21674	2.4
311.23721	1.2
313.21686	1.3
317.24875	2.0
319.15445	1.5
319.22723	2.0
327.23172	2.0
333.24197	2.0
335.25842	14.0
337.16464	2.3
341.24838	2.6
345.24496	1.5
351.23138	4.9
355.17462	7.3
357.24237	1.3
369.24295	8.1
387.25330	4.4
405.26483	2.8
411.19861	5.4
435.32739	1.4
443.28140	2.3
453.33768	1.4
461.29044	4.0
471.34219	1.5
527.37341	14.6
543.35101	1.1
545.38312	9.8
615.39008	2.1
635.39661	2.2
653.40582	5.0
671.41595	9.9
689.42578	83.6
690.42853	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	689.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.0
53.03950	14.7
55.01867	7.2
55.05513	30.9
57.03451	12.4
57.07056	2.2
65.03936	5.8
67.05508	71.0
69.03435	31.2
69.07077	21.9
71.01328	1.6
71.04997	8.3
73.02897	1.4
77.03920	2.4
79.05498	65.6
81.03423	100.0
81.07058	65.1
83.04992	18.3
83.08624	21.8
85.02438	1.8
85.02911	20.1
85.06546	3.9
91.05483	64.8
93.07050	61.8
95.04970	34.7
95.08611	44.4
97.02896	17.3
97.06537	8.3
97.10188	7.6
99.04471	8.4
99.08122	3.1
103.03967	2.6
103.05475	3.4
105.04534	2.7
105.07035	47.5
107.04949	11.4
107.08598	34.1
109.02894	18.1
109.06532	9.5
109.10170	17.2
111.04474	9.9
111.08097	9.4
113.06004	2.4
115.05485	5.5
117.07026	20.1
119.04934	3.1
119.08591	35.1
121.06503	6.0
121.10153	26.1
122.38181	1.4
123.03703	1.4
123.04434	7.6
123.08066	4.2
123.11734	5.7
125.09633	4.4
127.03909	9.6
128.06200	3.1
129.05518	3.2
129.07010	18.5
130.07829	1.3
131.04976	2.3
131.08565	29.6
133.06514	7.1
133.09229	2.6
133.10139	21.2
135.04535	1.5
135.08063	4.6
135.11717	16.3
137.05988	1.8
137.09651	3.6
139.11165	1.8
141.07030	2.7
142.07811	2.2
143.08575	10.3
145.04866	1.5
145.06566	4.2
145.10126	20.4
147.04419	3.8
147.08067	6.6
147.11696	22.8
149.05962	2.8
149.09586	6.1
149.13286	7.0
151.11220	1.9
153.12767	1.5
155.08553	6.3
156.09258	1.8
157.06525	2.7
157.10121	19.4
159.08102	2.8
159.11737	12.2
161.06035	2.6
161.09702	3.8
161.13295	5.0
163.11195	7.5
165.07156	1.3
165.12785	5.7
167.08578	3.9
169.10194	4.7
171.08084	2.7
171.11702	8.3
172.08598	1.6
173.04530	9.3
173.09691	5.1
173.13280	9.4
175.07672	1.8
175.11198	15.0
175.14870	2.4
177.12813	1.7
179.08629	2.0
181.10088	2.9
181.12357	2.4
183.11807	5.6
185.13324	4.9
187.11243	2.8
187.14877	4.0
189.11266	1.7
189.12775	3.0
191.10707	5.0
193.10408	2.8
193.12254	32.1
193.13896	2.4
195.11757	5.3
197.09642	1.6
197.13316	5.9
199.11201	2.5
199.14896	2.6
203.14375	2.0
205.12271	1.6
207.11723	2.3
207.13815	1.5
209.13315	2.4
211.13269	48.4
213.12723	1.8
213.16541	1.8
217.12531	1.5
219.13963	1.6
225.16348	1.3
227.12679	2.3
227.14548	2.7
229.14320	2.3
235.13358	8.3
237.12717	1.7
241.19536	2.4
243.21114	2.2
249.14853	2.0
255.13800	2.0
255.21254	1.5
259.20682	3.1
261.22134	6.6
267.15897	10.4
273.15045	3.6
273.22125	2.1
275.19891	1.4
277.14386	2.2
277.21786	3.0
285.16946	11.4
289.21756	2.3
301.14438	6.6
301.21667	3.7
303.23199	2.5
313.25186	1.3
317.24994	2.1
319.15601	2.7
319.22632	1.5
321.17255	1.4
327.23291	3.0
335.25891	18.5
337.16599	5.0
341.24771	2.7
345.24313	2.2
351.22989	6.2
355.17715	4.1
357.24158	1.9
369.24219	8.8
371.25906	2.0
376.35849	1.4
387.25537	6.8
393.19214	3.1
405.26569	2.5
411.20126	6.4
425.26938	1.5
429.65616	1.4
435.32788	2.4
443.28259	4.4
461.29074	4.6
527.37579	13.8
545.38092	7.1
561.37396	1.5
569.38574	4.6
579.38379	1.5
635.39404	4.7
641.39972	2.3
653.40631	9.3
671.02368	1.7
671.41364	14.1
689.42609	80.3
690.43427	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	689.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41808	1.2
51.02371	2.2
53.03951	13.2
55.01888	6.6
55.05514	30.5
56.37351	1.0
57.03441	14.4
57.07071	3.3
65.03951	5.5
67.05509	81.1
69.03434	37.7
69.07076	21.3
71.01364	1.2
71.04998	10.0
73.02919	2.0
77.03929	1.3
79.05496	74.6
81.03420	98.1
81.07059	77.5
81.87252	1.0
83.04986	24.8
83.08620	23.2
83.09122	1.4
85.02912	23.7
85.06555	5.3
87.04483	1.7
91.05483	69.8
93.07047	70.5
95.04977	32.0
95.08608	51.4
96.83665	1.2
97.02898	21.8
97.06519	9.5
97.10167	7.9
98.20802	3.2
99.04459	7.1
99.08115	2.3
103.05473	2.7
105.04550	2.5
105.07037	46.1
107.04945	10.0
107.08596	32.5
109.02888	16.1
109.06541	8.0
109.10157	15.7
111.04459	15.8
111.08075	9.6
113.02384	1.2
115.05486	4.2
117.07027	19.7
119.04955	2.7
119.08589	37.8
121.06549	5.1
121.10152	27.3
123.04456	3.4
123.08086	5.3
123.11695	8.1
125.06005	1.7
125.09661	3.2
127.03915	12.5
128.06233	3.4
129.05505	4.6
129.07005	17.9
131.08578	28.8
133.06509	6.6
133.10136	22.5
135.08105	4.2
135.11707	15.7
135.78868	1.2
137.09584	2.8
137.13194	1.2
141.07021	4.5
142.07790	4.6
143.08566	11.8
145.06508	4.1
145.10136	17.3
147.08047	6.2
147.11687	27.9
149.09642	7.1
149.13240	5.9
151.11203	2.5
155.08580	4.6
157.06564	1.7
157.10127	20.8
159.08047	2.5
159.11708	12.0
161.09680	2.3
161.13263	5.9
163.11209	6.6
163.14897	2.1
165.12688	7.5
167.08586	3.3
169.10144	6.4
171.08090	2.2
171.11661	8.3
173.04485	6.8
173.05852	1.3
173.09703	3.1
173.13306	6.3
175.11169	13.9
175.14871	2.6
177.12828	2.9
181.10199	3.7
181.12276	4.6
183.11775	5.0
185.09618	2.7
185.13263	4.2
187.14891	2.5
191.10722	5.6
193.10432	2.9
193.12256	43.4
195.11714	2.3
195.13564	1.2
197.09612	1.5
197.13292	3.7
199.11281	1.6
199.14964	3.7
201.12662	2.1
201.16515	1.6
209.13365	2.3
211.13281	61.9
213.12831	1.8
215.14378	2.4
221.13266	1.5
223.15062	1.6
227.12862	3.8
229.14322	2.9
235.13268	1.2
243.21315	2.0
245.15465	1.4
246.69136	1.5
249.14764	1.5
259.20642	2.4
261.22226	4.0
267.15796	9.2
273.14987	3.0
273.22336	1.8
277.21683	2.7
285.16968	8.3
289.21606	1.4
301.14517	2.1
301.21771	4.5
319.22781	1.4
327.23221	2.6
335.25854	16.8
337.16489	2.8
341.24625	1.9
351.23254	5.2
355.17444	7.8
369.24112	10.2
371.25952	1.6
387.25458	4.8
405.26422	3.0
411.20343	6.0
435.32959	3.2
443.28079	3.9
453.33972	2.1
461.28793	5.8
471.34213	1.4
479.30432	2.1
517.38806	2.0
527.37354	16.6
543.37390	1.4
545.38354	10.9
561.36755	1.5
635.39429	3.2
653.30792	1.5
653.40320	7.2
671.41467	10.9
689.42627	100.0
690.43103	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	690.369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52065	0.5
53.03946	2.5
55.01878	6.1
55.05512	13.2
57.02388	0.7
57.03193	0.7
57.03441	8.7
57.07081	1.0
59.04983	1.7
61.02924	3.8
67.05511	15.0
69.03436	3.4
69.07071	5.2
70.94247	1.2
71.01348	1.0
71.04984	3.6
72.70138	0.5
73.02923	1.0
77.03929	0.5
79.05494	18.4
81.03423	37.4
81.07057	20.6
83.01344	4.0
83.04987	13.8
83.08156	1.0
83.08624	17.0
83.47466	0.5
85.02909	14.7
85.06525	1.2
87.30462	0.5
91.03941	1.7
91.05482	19.1
92.76145	0.5
93.06487	1.0
93.07051	17.7
95.04970	15.7
95.08610	7.3
97.02885	4.9
97.06528	3.8
97.10156	2.4
99.04453	2.0
99.08076	0.9
105.07037	12.6
107.04966	6.6
107.08595	9.7
107.67223	0.5
109.02856	0.7
109.06524	5.0
109.10153	2.8
111.04465	2.7
111.08079	5.3
111.11736	0.7
113.05991	1.3
115.05430	0.8
117.07007	3.8
119.04942	0.8
119.08587	11.0
121.06516	2.8
121.10152	8.7
123.08079	6.7
123.11678	0.7
125.05985	1.4
125.09647	1.3
129.07007	6.5
130.07776	0.9
131.08563	5.4
133.06505	1.4
133.10120	5.7
135.08098	0.9
135.11693	5.2
137.05992	1.0
137.09610	1.6
139.07646	0.6
142.07799	1.1
145.06418	0.8
145.10121	8.8
146.06032	2.7
147.08080	2.2
147.11691	7.3
149.09636	3.7
153.12738	1.3
155.08617	1.0
157.10120	7.5
163.03960	2.0
163.11188	11.4
165.12770	1.2
173.09631	1.7
174.05495	2.5
175.11186	7.2
181.12280	1.5
191.10692	1.4
193.10463	0.9
193.12254	23.4
209.11758	3.1
211.13298	37.2
214.32018	0.6
227.12781	1.6
249.15047	0.7
265.14648	1.0
267.15970	7.6
283.15405	47.5
284.15747	0.9
285.16977	32.2
300.08658	1.8
383.22150	2.4
401.23154	1.4
457.25931	3.7
475.26904	13.5
493.27991	100.0
494.28500	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	690.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03951	2.4
53.20775	0.4
55.01868	3.2
55.05513	10.7
57.03198	0.8
57.03443	9.8
57.07073	0.7
59.04998	1.1
61.02919	1.5
65.03934	1.1
67.05505	16.7
69.03439	2.9
69.07076	6.0
71.04998	3.8
71.08617	0.5
71.52803	0.9
73.02922	1.2
79.05496	21.6
81.03421	33.1
81.07062	22.0
83.01350	1.9
83.04984	10.8
83.08620	15.9
85.02909	13.5
85.06543	1.2
86.09700	0.6
91.03961	0.6
91.05488	19.4
93.07047	26.9
95.04976	16.7
95.08612	20.8
96.71637	0.5
97.02902	5.3
97.06549	4.2
97.10168	2.8
99.04467	3.2
99.08091	0.8
103.05478	0.6
105.07037	13.2
107.04964	9.3
107.08600	18.4
109.06544	4.5
109.10168	3.4
111.04462	2.4
111.08081	7.5
113.06011	1.7
115.05465	1.2
117.07028	4.9
119.08585	15.2
121.06518	4.2
121.10146	12.0
123.08071	3.5
123.11727	1.4
125.06010	2.2
125.09611	1.2
127.03920	1.1
127.07611	1.0
129.07014	5.0
130.07811	0.8
131.08589	6.7
133.06516	1.1
133.10144	6.9
135.08070	2.0
135.11697	26.6
137.06018	1.2
137.09628	1.5
139.07498	1.3
142.07770	1.6
143.08565	0.8
144.35735	0.5
145.10138	17.2
147.08072	1.9
147.11708	8.1
149.09618	3.0
149.13257	0.5
151.11209	0.7
153.12767	1.1
157.10138	7.6
163.03911	2.8
163.11189	35.7
164.04308	0.8
165.12769	1.8
173.09615	1.0
175.11185	8.4
181.12253	6.6
191.10785	0.7
193.12254	22.8
209.11879	1.6
211.13295	33.1
227.12787	36.9
249.14967	0.8
267.15915	22.9
283.15408	62.8
284.15671	0.6
285.16980	46.5
286.17361	1.0
457.25903	2.1
457.32373	0.6
462.69147	0.5
475.26974	27.4
476.27753	0.7
493.27985	100.0
494.28415	2.4
599.66309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.5
50.66325	0.6
53.03947	2.5
54.48224	0.6
55.01870	4.4
55.05513	11.5
57.03437	7.7
57.07078	1.0
59.05005	1.7
61.02930	2.2
61.61059	0.6
65.03940	1.6
65.31142	0.7
67.05508	14.5
69.03432	3.1
69.07066	4.2
69.30406	0.7
71.01366	0.9
71.05004	2.9
73.02934	1.1
75.16476	0.9
79.05023	0.8
79.05495	17.7
81.03424	26.9
81.07061	19.3
83.01354	4.0
83.04982	11.6
83.08623	12.4
85.02908	10.4
85.06545	1.1
91.03969	1.1
91.05486	17.3
93.07047	17.9
95.04974	15.0
95.08602	9.2
97.02895	4.6
97.06529	5.2
97.10186	1.7
99.04466	2.5
99.08064	0.9
105.04455	1.0
105.07030	11.9
107.04951	6.8
107.08601	9.8
109.02889	0.9
109.06526	5.0
109.10126	3.5
109.89156	0.7
111.04454	3.8
111.08078	4.5
113.06042	1.2
114.83791	0.7
117.07007	3.9
119.08586	11.0
120.08835	0.9
121.06538	2.6
121.10152	8.5
123.08069	5.8
123.11739	1.8
125.05992	1.0
125.09634	1.9
127.03931	1.3
129.07011	4.6
131.08569	5.5
133.06557	1.3
133.10147	7.0
135.08086	1.3
135.11693	6.9
135.30363	0.7
137.09628	2.0
142.07806	1.2
145.10110	7.5
147.08075	1.7
147.11688	6.0
149.02394	4.1
149.09656	2.5
151.11205	1.4
153.12761	2.4
155.08577	1.3
157.10132	6.1
163.02756	0.6
163.03935	4.3
163.11186	13.8
164.04167	1.0
164.11612	0.8
164.28781	0.7
164.33783	0.8
165.09058	1.4
165.12825	2.6
173.09721	1.9
174.20085	0.8
175.11206	7.6
181.12210	2.0
188.17969	0.7
191.10742	2.4
193.12260	14.7
197.72211	0.7
209.11734	3.1
211.13290	19.6
223.39528	0.7
227.12839	2.6
244.22757	1.7
267.15930	9.9
283.15399	36.6
284.15881	3.0
285.16962	18.3
383.22314	0.7
424.20123	0.7
457.26126	3.2
473.14221	1.1
473.87860	0.8
475.26947	17.0
492.25821	1.0
493.27966	100.0
494.28348	2.8
511.29456	1.5
516.67206	0.7
690.34937	4.1
691.25867	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07306	0.2
51.02373	0.2
53.03935	0.4
55.05509	0.4
57.03427	0.9
63.02377	0.2
69.03428	1.8
69.07061	0.8
69.53150	1.3
71.01347	0.3
71.04997	5.3
79.05481	0.9
81.03423	1.0
81.07072	0.2
83.04990	0.4
85.02907	6.3
89.03912	3.0
91.05486	0.5
93.07053	0.2
95.04971	0.3
96.08154	0.2
97.02895	4.5
97.06516	0.2
98.21554	0.4
99.04460	0.5
103.05479	0.3
105.07027	0.4
107.04932	1.3
108.07253	0.2
108.08063	0.3
109.02860	0.3
110.09670	0.2
111.04408	0.4
115.05478	0.3
116.04974	0.3
117.03391	4.3
117.07021	0.4
119.04941	0.2
120.08063	0.3
123.04419	0.3
124.07604	0.4
127.03887	0.6
128.06258	0.5
129.05487	1.5
129.06985	1.2
131.04964	1.0
133.06601	0.2
135.04420	9.9
136.07611	0.3
137.05981	1.6
138.09135	0.4
142.07797	1.7
143.04930	0.2
143.08519	0.3
144.04454	0.7
145.02849	9.3
145.06476	0.4
147.04395	0.6
147.06529	0.3
149.05978	1.1
152.06053	0.3
152.07092	2.5
157.06468	0.5
157.10115	1.7
159.08141	0.2
161.05994	1.9
162.05530	0.3
163.03905	100.0
164.04236	0.6
165.05492	0.4
166.08652	1.9
167.07065	0.4
167.08574	0.4
170.07256	0.6
172.03932	3.8
174.06711	1.0
175.07536	0.8
181.04959	1.9
185.09593	1.3
187.07509	0.3
190.04948	0.6
193.08597	0.6
194.08142	2.6
203.10674	15.9
204.06563	6.5
205.12239	1.9
212.09174	3.3
213.09081	0.3
215.10675	0.3
221.11740	3.9
227.10605	0.3
231.10168	0.4
233.11626	0.5
243.11365	0.3
245.11719	0.4
285.12335	0.5
291.08395	0.2
293.40747	0.2
303.13235	0.4
307.08099	0.8
309.09946	0.3
313.14349	0.3
323.10175	0.4
325.09100	16.1
339.13321	0.3
357.14362	1.4
508.20770	0.6
526.21777	0.3
686.69189	0.2
690.95978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56638	0.4
55.01863	0.6
55.05515	0.6
67.05501	0.7
69.03430	0.7
69.07066	0.5
69.94202	0.9
69.94589	1.0
73.07749	0.4
79.05490	1.0
81.03419	1.2
81.07066	1.8
81.07506	0.4
85.02898	1.2
91.05481	0.9
93.07054	1.4
95.08637	0.7
97.06539	1.1
98.21445	0.5
104.21622	0.4
105.07045	0.8
107.08616	0.5
108.12972	0.4
109.06564	0.4
119.08631	0.9
127.03960	0.6
133.10129	0.4
145.10184	0.6
163.03963	1.0
163.11194	0.7
164.04236	0.6
165.09154	1.1
193.12346	0.5
209.07123	0.4
219.17441	0.6
275.19931	0.4
283.15417	0.8
284.15839	0.7
349.23535	0.9
400.15466	0.6
413.16327	0.7
427.18280	0.7
428.14935	1.0
430.16827	1.0
442.16711	0.8
443.17178	1.3
444.18527	0.7
455.13464	0.9
457.18747	4.1
458.19830	1.0
467.17044	0.6
469.10843	0.5
470.11725	0.8
483.12210	3.5
484.13712	9.0
485.14688	2.0
486.17181	0.5
494.28186	0.5
495.16635	0.8
497.13763	4.7
498.15280	6.3
499.15982	2.9
508.13589	0.6
510.19067	0.8
511.15811	2.8
512.16931	6.4
513.17712	20.0
514.18390	5.1
523.16010	7.4
524.17004	0.7
525.17163	2.1
526.18420	2.2
527.19434	6.2
528.19635	0.6
539.18280	0.5
544.21155	0.6
545.24500	0.5
554.19910	1.0
555.18689	3.6
556.19800	1.1
557.23920	0.8
569.20526	1.0
571.19525	0.5
573.23315	0.9
599.21497	1.6
600.22046	1.9
601.22992	4.9
614.23871	1.5
617.22528	0.7
659.23560	1.8
660.24274	2.1
673.24933	1.1
691.26135	100.0
692.26288	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	691.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63690	0.6
53.03951	0.9
53.25781	0.6
55.01857	0.9
55.05512	1.6
57.03428	1.4
61.02932	4.2
65.32709	0.6
67.05504	3.8
69.03429	1.9
69.07066	1.1
71.04982	1.0
73.02917	2.4
75.11017	0.6
79.05502	3.4
81.03435	2.8
81.07082	3.5
83.04978	1.4
83.08635	1.4
85.02908	4.2
86.14685	0.6
91.03958	1.9
91.05495	3.2
93.07043	4.1
95.04966	1.4
95.08609	2.0
97.02898	3.6
97.06549	0.6
99.04456	0.7
101.02398	1.6
102.81877	0.7
105.07063	3.2
107.04951	0.9
107.08615	2.0
109.06593	0.8
109.10147	0.9
117.07021	0.9
119.08587	1.3
121.10119	0.7
127.03960	1.7
129.07037	1.2
133.10153	0.8
135.11690	1.1
145.10165	2.2
147.11703	1.0
149.09644	0.6
163.11237	2.2
169.13628	0.6
175.88608	0.6
179.14149	0.7
243.08469	2.5
247.13113	1.0
283.15430	0.7
465.21069	4.9
467.19028	7.5
492.42538	0.6
654.64264	0.7
691.33044	100.0
692.33380	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	691.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60455	0.2
53.03956	0.6
55.01867	0.5
55.05510	1.5
57.03453	2.1
59.05010	0.3
61.02931	6.0
61.09533	0.3
65.03926	0.6
67.05509	7.4
69.03432	3.5
69.07079	1.1
69.98353	1.2
71.01362	0.6
71.04980	0.5
73.02922	3.9
79.05501	3.7
81.03428	2.0
81.07063	4.8
82.54035	0.3
83.08617	0.8
85.02911	5.8
87.04436	0.3
88.71560	0.3
91.03962	3.6
91.05484	2.4
93.07050	3.5
93.24835	0.3
95.04977	0.5
95.08614	3.9
97.02908	5.2
99.04463	0.9
101.02394	2.0
103.03962	0.3
105.07040	1.6
107.08593	1.2
109.02906	1.1
109.10167	5.9
111.08105	0.3
115.03951	0.5
117.07038	0.4
119.08615	1.4
121.10137	1.3
123.08048	0.4
123.11722	0.5
123.62121	0.2
124.10889	0.2
127.03931	1.9
131.08595	0.9
133.10146	0.6
135.11700	0.9
145.04996	0.5
145.10144	0.3
147.11720	0.6
149.13374	0.3
159.11681	0.5
161.13203	0.4
165.77589	0.3
173.11775	0.9
173.13234	0.6
175.14818	0.3
185.04248	0.5
189.34471	0.3
195.09958	0.9
198.05650	0.3
203.05281	0.5
211.13312	0.3
229.14339	0.4
243.08449	2.1
259.16983	0.3
301.21808	0.3
335.25845	0.6
413.17834	4.6
519.29382	7.0
519.37097	0.4
529.39075	0.4
691.40308	100.0
692.40656	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	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01863	2.6
55.05515	16.4
57.03443	13.5
59.04990	1.1
61.02930	3.9
61.03175	0.7
63.58212	0.8
65.03933	2.2
65.32782	0.7
67.05509	25.9
69.03440	7.2
69.07075	8.2
69.94814	3.3
71.05000	6.0
73.02901	1.1
79.05499	29.6
81.03424	87.5
81.07065	33.1
83.04499	1.1
83.04986	22.1
83.08625	29.4
83.75249	0.8
85.02911	34.4
85.06529	2.8
87.04471	0.7
91.03933	1.7
91.05489	41.2
93.06492	1.3
93.07048	18.2
95.04974	33.9
95.08617	11.1
97.02897	6.8
97.06525	5.4
97.10172	4.4
98.21476	0.9
99.04445	0.9
99.08081	1.5
103.05473	0.7
105.07040	27.9
107.04980	8.8
107.08599	8.6
109.02860	2.3
109.06536	6.2
109.10121	3.5
111.04465	3.8
111.07382	1.0
111.08094	13.5
113.06027	4.6
115.05435	1.5
117.07003	2.4
119.04964	1.0
119.08588	24.3
121.06501	2.2
121.10161	10.3
123.04421	1.4
123.08094	3.4
123.11694	2.2
125.09607	2.1
127.03894	1.2
129.07016	14.5
131.08575	14.5
133.06488	3.0
133.10150	13.4
137.05980	2.0
137.09586	2.5
141.05466	1.1
142.07796	3.1
145.10144	3.1
147.08055	4.6
147.11696	19.1
149.09644	8.0
157.10143	20.5
160.17911	0.7
163.11162	1.5
165.12788	4.3
175.11192	20.4
193.12256	62.2
211.13304	94.3
212.13597	1.2
249.14948	0.7
267.15924	41.3
285.10025	2.0
285.16983	100.0
286.17221	1.2
336.80365	0.9
367.22604	3.1
385.23605	4.2
403.24799	1.6
433.25662	1.0
441.26276	1.9
459.27469	26.1
460.27960	1.2
477.28519	31.0
495.29565	86.3
496.29575	2.7
639.33661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75050	1.1
53.03944	4.9
55.05515	34.1
57.03429	20.4
57.07082	2.8
59.05008	2.8
61.02928	8.4
65.03941	4.4
67.05510	100.0
67.63085	1.0
69.03431	3.7
69.07074	18.1
70.69004	1.1
71.01356	2.5
71.04992	7.3
71.16449	1.9
73.02933	6.4
76.08548	1.2
79.05496	40.2
81.03424	13.6
81.07061	72.0
83.04992	11.6
83.08626	21.4
85.02909	19.2
85.06555	5.1
87.04477	5.0
91.03964	3.0
91.05484	29.8
93.07047	43.1
95.05000	6.7
95.08619	21.7
97.02902	5.3
97.06535	12.1
97.10181	15.3
99.04480	1.5
99.08113	2.4
105.07037	13.3
107.04972	6.3
107.08607	30.5
109.06519	2.9
109.10163	53.3
111.04465	2.0
111.08092	7.9
117.07008	9.3
119.08587	10.0
121.06510	4.8
121.10149	12.0
123.08073	3.4
123.11696	4.1
125.09645	13.2
129.05490	5.4
129.06993	2.9
131.08592	9.0
133.10143	13.5
135.08101	2.5
135.11702	12.2
137.09636	4.6
143.10672	2.7
145.10162	4.3
147.11707	4.6
149.09650	1.6
149.13284	13.1
151.11224	1.5
153.12727	3.6
155.10687	6.8
157.10207	2.2
159.11700	10.2
163.11215	8.5
165.12839	3.7
173.09613	1.4
173.10173	1.5
173.11736	17.0
175.11163	1.6
177.12767	4.7
181.12305	3.4
185.11893	1.7
191.10738	3.5
193.12271	5.9
195.13805	15.5
199.13280	7.9
199.37695	1.0
207.66846	1.1
209.11757	6.8
211.13338	3.5
213.14812	2.8
227.12807	9.7
229.14365	55.2
239.16481	4.5
240.60277	1.3
249.14931	1.5
267.15982	9.5
269.17493	66.8
270.17914	1.4
283.15366	7.7
284.13049	1.2
285.16968	1.4
297.16840	1.1
301.16434	19.8
323.18625	2.1
381.98837	1.1
393.26370	2.8
397.94644	1.2
411.27463	8.3
422.26871	1.7
423.27444	34.7
431.27994	3.1
449.28952	1.7
477.28452	4.0
495.29593	73.5
513.30585	28.9
513.42059	1.2
514.31958	1.3
692.22797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
53.03936	1.3
54.46588	0.4
55.01876	0.9
55.05512	8.7
57.03442	4.0
57.07075	2.3
61.02928	23.3
65.03935	1.8
67.05506	50.2
69.03425	3.2
69.06727	0.8
69.07070	8.0
69.61105	2.2
71.04987	2.7
71.08633	1.0
73.02921	8.0
75.04469	0.5
79.05494	29.2
81.03415	1.2
81.07057	56.1
83.04993	0.9
83.08614	5.7
85.02907	27.3
85.06535	1.9
85.89760	0.4
86.43636	0.4
87.04478	0.6
91.03957	24.1
91.05479	15.9
93.07044	39.9
94.07388	0.5
95.04974	1.6
95.08607	44.5
97.02892	13.9
97.03526	0.7
97.06524	2.4
97.10157	3.0
99.04458	2.0
99.08099	2.8
100.33035	0.4
103.03954	0.7
105.04541	0.8
105.07036	13.7
105.53715	0.4
107.08594	28.8
109.02892	1.2
109.06554	0.8
109.10159	25.2
111.08083	1.9
111.11716	1.0
113.09669	1.7
115.03922	1.5
117.07018	6.3
119.07721	0.4
119.07963	0.3
119.08582	11.8
121.10148	29.3
123.08063	1.1
123.11708	16.6
125.09630	1.7
127.03921	8.9
127.11237	0.4
129.07010	0.6
131.08572	14.5
133.10135	10.7
135.08113	0.4
135.11693	24.5
137.09619	1.6
137.13255	6.9
139.11179	1.6
141.12755	0.5
143.10556	0.4
145.04962	12.8
145.10120	12.6
147.11693	10.4
149.09575	0.5
149.13263	17.2
151.11180	2.0
151.14832	2.2
153.12723	1.0
159.11688	12.9
159.13019	0.4
160.49304	0.4
161.11981	0.8
161.13254	9.9
163.06018	25.0
163.11183	0.8
163.14824	15.0
165.12749	2.6
165.16417	0.7
173.13266	13.6
175.14801	2.8
177.12773	1.6
177.16396	6.4
179.14317	2.5
180.08609	0.4
183.70302	0.4
187.14825	8.9
187.16452	0.5
189.16299	0.7
191.14339	2.1
193.15945	0.7
201.16365	3.1
203.17998	0.5
205.15919	2.1
215.17949	1.1
219.17453	1.3
233.19028	0.7
233.22667	2.6
233.24609	0.4
242.39610	0.4
243.21089	36.6
245.22633	0.6
248.51660	0.4
261.22137	100.0
262.22479	2.3
263.23721	1.7
279.23151	2.9
325.11438	0.5
335.25803	17.2
336.25974	0.5
353.26868	61.5
354.27185	1.5
448.98636	0.4
497.31155	1.5
512.49756	0.4
689.93817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.05314	1.0
55.05519	10.9
57.03450	4.8
57.07061	3.7
61.02940	8.9
64.01080	1.0
65.03922	1.7
67.05509	70.3
68.05834	2.1
69.03417	3.3
69.07078	12.2
70.10970	1.1
71.04993	4.9
71.52181	1.8
73.02905	2.9
75.04478	1.3
79.05500	38.1
81.03423	2.0
81.07063	78.3
82.07372	2.0
83.04994	1.2
83.08611	7.5
85.02452	1.1
85.02911	16.6
85.06522	2.6
91.03968	10.8
91.05487	17.8
93.07050	48.9
94.07391	1.2
95.04945	2.2
95.08614	58.9
97.02903	6.8
97.06535	3.7
97.10168	3.3
99.08142	2.5
105.07034	15.7
107.07882	1.9
107.08606	33.2
109.02808	1.3
109.06493	3.2
109.10162	32.2
112.09199	1.0
113.09626	1.1
115.03887	1.0
117.07025	6.9
119.08591	13.5
121.10153	30.2
123.08054	2.2
123.11701	15.0
127.03913	5.7
129.07068	1.4
131.08574	17.7
132.09016	1.0
133.10138	14.2
135.11705	26.1
137.09627	2.7
137.13281	7.4
139.11209	2.1
145.04971	6.2
145.10143	12.4
147.10667	1.5
147.11697	11.6
149.13272	21.1
151.11217	3.0
151.14850	2.1
159.11694	13.2
160.91692	1.1
161.13271	10.8
163.06038	10.8
163.11162	1.3
163.14847	15.4
165.12769	1.8
173.13263	13.2
175.14822	4.2
177.12799	2.0
177.16403	7.1
179.14372	1.8
187.14801	7.3
191.14320	3.1
192.66647	0.9
201.16422	2.2
205.15756	2.2
215.17947	1.7
233.22658	4.9
243.21106	31.9
261.22156	100.0
262.22452	2.0
263.23813	1.6
269.17587	1.3
272.45764	1.1
279.23178	5.8
335.25836	31.5
353.26883	71.6
410.34863	1.2
437.28879	1.2
439.29523	1.2
463.30609	2.5
464.30719	2.5
465.31009	5.9
497.30771	6.4
601.60229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01868	4.3
55.05516	22.5
57.03429	5.6
57.07067	3.3
65.03938	2.3
67.05511	73.9
69.07074	21.1
69.81781	12.0
71.05003	10.3
78.10772	2.0
79.05082	3.3
79.05500	43.1
81.03403	4.0
81.07067	58.5
81.24549	2.0
83.04967	2.3
83.08628	12.1
85.06550	3.1
91.05482	28.9
93.06494	3.5
93.07052	47.1
94.44032	1.9
95.04961	5.2
95.08615	34.3
97.06511	8.2
97.10157	9.2
98.21571	2.5
105.07040	19.5
107.08605	29.9
109.06504	3.7
109.10154	26.7
111.08092	5.0
117.06997	8.0
119.08599	14.0
121.06501	2.8
121.10162	17.3
125.09645	7.1
129.07007	2.6
131.08607	14.1
133.10133	13.6
135.08023	2.3
135.11685	13.4
137.09688	2.9
143.08569	2.5
145.10138	12.5
147.11682	5.0
149.09608	4.2
149.13245	8.8
157.10130	4.4
159.11703	9.1
161.13263	2.5
168.50116	2.5
171.11670	3.0
173.11734	3.0
173.13206	3.3
179.14388	2.4
189.11198	3.1
195.30814	2.1
227.12825	5.7
229.14377	20.6
257.18982	3.5
261.22150	6.7
267.15942	2.7
270.20349	2.4
275.20123	13.1
290.77261	2.4
311.41797	2.2
317.24872	2.2
335.25793	47.8
349.23715	6.0
400.53476	2.2
414.18402	2.3
429.20566	8.1
436.22250	3.1
437.33737	3.3
443.22055	4.2
458.24982	2.7
459.21561	3.3
460.21783	4.7
466.22891	2.8
472.22751	2.3
475.24069	3.4
485.23273	4.5
489.35764	18.6
522.25757	4.4
529.38904	100.0
530.39197	5.0
545.25586	36.9
546.25958	4.5
547.30902	2.9
573.24811	8.1
605.17847	2.9
605.27594	60.5
606.27789	9.5
609.45642	14.8
634.34741	4.8
641.47253	8.7
694.36835	49.0
694.48706	4.8
695.35815	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	695.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81353	0.3
57.64906	0.3
67.05508	0.7
83.48920	0.3
85.02906	0.5
91.27032	0.3
156.75439	0.3
156.76822	0.4
285.62878	0.3
345.56094	0.4
417.49582	0.3
460.24954	0.3
545.14404	1.2
563.15411	7.0
564.15033	0.4
573.17859	0.5
577.16742	0.8
578.17926	0.7
581.21094	0.4
617.16357	1.2
621.19800	1.0
637.42487	0.3
663.20813	1.4
664.21344	5.2
665.22174	1.0
695.23248	100.0
696.23621	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	696.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01865	1.0
55.05515	15.9
55.05788	0.8
57.03442	6.5
57.07079	9.6
61.02932	25.0
62.85433	0.6
65.03941	1.5
67.05508	63.0
69.03426	2.7
69.07072	22.7
71.04998	2.3
71.08632	6.7
73.02921	8.2
75.04517	0.6
79.05492	19.2
80.01880	0.6
81.03410	1.6
81.07059	77.9
83.04978	1.8
83.08622	19.7
85.02908	25.1
85.06548	2.6
85.10194	2.7
91.03960	25.2
91.05483	14.5
93.07050	22.1
95.04975	1.7
95.08611	72.2
97.02901	14.1
97.06530	6.3
97.10181	12.2
98.20609	1.1
99.04490	1.4
99.08086	3.8
103.03975	0.7
105.07029	10.3
107.08604	16.7
109.02881	1.3
109.06503	0.7
109.10160	37.1
111.08092	4.5
111.11714	5.0
113.09651	2.0
115.03901	1.4
117.05475	1.0
119.08583	11.5
121.10152	23.1
123.08087	1.3
123.11709	19.3
125.09645	1.1
125.13296	2.1
127.03916	8.5
127.11192	1.9
131.08582	1.2
133.10129	14.8
135.11703	11.6
137.09616	1.2
137.13269	7.2
139.11171	1.3
139.14799	0.9
141.12747	3.7
145.04961	11.3
145.10159	0.6
147.11685	11.2
149.13277	9.1
151.11174	1.3
151.14813	5.8
153.12700	0.9
155.14307	3.2
161.13266	14.2
163.06024	17.7
163.14819	9.5
165.12752	1.7
165.16406	8.2
167.14290	1.4
175.14851	10.4
177.16399	2.2
179.14366	1.6
179.17928	6.3
181.15971	1.3
189.16393	5.4
193.15913	1.1
203.17987	2.1
207.17459	1.4
217.19550	1.5
245.22659	60.6
246.22957	0.9
263.23709	100.0
264.24149	1.3
265.25272	1.7
281.24765	2.7
337.27371	65.6
338.27664	1.6
355.24072	1.0
355.28415	17.5
389.26950	0.8
403.75223	0.7
418.58136	0.6
419.87515	0.6
499.32590	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	696.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50026	0.8
55.05518	11.9
57.03427	4.2
57.07079	7.3
61.02933	21.3
67.05511	53.6
69.03426	2.7
69.06736	1.6
69.07079	19.8
69.85479	4.8
71.04984	2.0
71.08640	5.1
73.02921	6.5
73.06515	0.9
79.05498	15.6
81.03403	1.4
81.07064	61.2
83.04992	1.1
83.08629	13.5
85.02911	26.8
85.06552	2.1
85.10186	2.6
87.04491	1.3
88.15806	0.9
91.03424	1.7
91.03964	25.6
91.05489	11.4
93.07050	18.8
95.04998	1.4
95.08613	55.6
97.02898	13.7
97.06535	6.7
97.10175	8.7
98.21466	0.9
99.04466	1.2
99.08081	2.1
105.07041	8.6
107.08609	13.6
109.06493	1.6
109.10166	29.2
111.08082	3.5
111.11723	3.3
113.09627	1.8
115.03925	1.9
119.08594	9.0
121.10159	16.4
123.11724	16.6
125.09589	1.6
125.13285	1.2
127.03944	8.8
127.11223	2.2
133.10127	10.7
135.11700	9.9
137.09596	1.0
137.13280	6.3
139.11125	1.4
141.12781	3.1
143.21803	1.1
145.04970	14.3
147.11710	8.8
149.13257	8.4
151.11229	1.0
151.14807	6.0
153.12691	1.1
155.14330	2.6
161.13278	13.3
163.06032	22.3
163.14833	9.6
165.12784	1.4
165.16383	8.1
175.14850	10.6
177.16496	1.5
179.14343	1.0
179.17976	9.2
189.16397	3.3
217.19478	1.5
245.22668	62.8
247.24254	1.4
263.23724	100.0
264.24008	1.7
265.25308	3.1
281.24750	2.5
337.27396	46.1
355.28519	10.9
499.32407	1.5
512.73682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
54.77204	3.1
55.01868	7.6
55.05521	35.5
56.98285	2.6
57.03437	15.3
57.07075	6.9
65.03940	6.9
66.80370	2.6
67.05508	95.0
69.07072	36.8
70.96417	2.9
70.96737	5.8
71.05004	6.7
71.08634	19.3
79.05073	5.3
79.05503	75.5
81.03426	17.5
81.07063	100.0
81.07538	6.3
83.04971	15.7
83.08615	26.6
85.06552	4.9
85.10207	3.9
91.05489	58.6
93.07051	82.8
95.04967	22.5
95.08611	55.6
97.06546	22.2
97.10172	13.2
99.08092	10.0
105.07037	48.6
107.04973	6.1
107.08604	47.0
109.06512	7.7
109.10160	21.2
111.08093	6.5
111.11736	3.3
115.05446	3.5
116.91446	2.7
117.07035	21.6
119.08588	39.4
121.06561	3.3
121.10156	23.3
123.08162	4.0
123.11707	5.6
125.09637	11.9
129.07021	11.9
131.08574	23.2
132.29520	2.5
133.06479	3.1
133.10144	31.9
134.16158	2.6
135.08072	7.4
135.11690	19.1
137.09650	4.7
139.11217	3.5
139.35272	2.7
143.08551	7.4
145.10130	19.6
147.11699	11.0
149.09636	10.8
149.13255	12.6
151.11197	14.3
155.08574	6.2
157.10143	9.7
159.11710	20.0
161.13292	13.2
163.11169	17.2
165.12817	3.8
169.10115	3.8
171.11775	7.4
173.11751	2.7
173.13286	6.4
175.11263	5.2
175.14836	3.0
177.12733	3.5
179.14334	3.9
185.13231	6.5
189.11243	4.4
191.14391	3.1
195.11943	2.8
195.13834	7.1
197.13249	3.4
199.14905	3.5
227.12843	14.0
241.19537	4.5
251.16339	3.4
255.16025	9.2
257.19043	5.8
259.20648	8.3
267.16086	3.5
268.34579	3.0
269.17484	31.9
275.20105	30.0
277.21643	17.7
349.23810	16.9
351.25308	20.3
367.24518	3.7
433.29477	3.4
449.28833	15.1
461.28973	3.0
463.30634	30.5
505.38965	23.6
527.37323	4.6
531.36456	4.9
543.36481	17.2
545.38135	16.9
561.37939	4.9
609.94226	3.2
625.44171	6.5
643.44891	3.7
659.33478	2.8
696.45911	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	697.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.32250	0.2
56.14664	0.2
57.03430	0.3
63.02372	0.6
65.68290	0.2
67.05491	0.4
69.03436	1.2
71.04970	0.3
71.51937	0.3
79.05474	1.0
80.64365	0.2
81.03422	2.1
81.07041	0.7
85.02908	1.7
86.09700	0.8
89.03922	6.2
91.05489	0.5
93.07046	0.5
95.04993	0.4
95.08594	0.4
97.02853	0.4
99.04462	0.3
107.04946	1.8
107.08585	0.4
109.02879	0.7
109.06513	0.3
117.03388	7.0
117.07076	0.3
119.04929	0.2
119.08582	0.3
122.03613	0.3
126.35218	0.3
127.03893	0.5
131.04939	0.3
135.04420	14.7
135.89998	0.3
137.05977	3.0
145.02853	10.9
145.04002	0.5
147.04417	0.5
151.07553	2.0
161.05972	0.8
163.03908	100.0
164.04253	1.2
165.09175	0.4
167.07065	0.3
170.54593	0.3
175.07518	0.3
177.05516	0.4
177.09120	1.0
179.07033	0.3
181.04993	3.1
187.07530	0.3
189.09143	0.5
203.06870	0.2
205.08498	0.2
251.07053	0.3
265.07053	0.4
307.08109	2.1
323.36310	0.2
325.09131	4.5
339.12177	0.4
355.15390	0.5
397.16312	0.6
481.18472	0.8
542.18939	0.3
574.21301	0.7
665.26019	0.3
697.25867	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	697.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.2
53.03955	8.7
55.01873	11.3
55.05514	8.7
57.03429	4.8
61.97950	1.6
65.03937	3.3
67.05508	20.6
67.28304	1.9
69.03087	2.9
69.03431	34.4
69.07074	18.6
70.91119	2.0
71.01348	4.3
71.05005	13.3
71.11520	3.1
72.02288	1.6
73.02923	3.3
79.05495	46.6
81.03423	25.3
81.07053	22.0
83.04984	47.5
85.02908	48.7
85.06561	3.4
91.05479	34.5
93.07050	40.4
95.04972	28.2
95.08612	29.1
97.02895	16.7
97.06531	44.3
99.04465	25.2
101.02410	2.0
103.05464	8.2
105.04519	2.6
105.07036	100.0
107.04948	14.0
107.08598	22.7
109.02882	12.6
109.06528	14.5
111.04423	5.6
111.08070	3.5
113.06025	1.9
115.03882	2.0
115.05457	5.1
117.07040	15.8
119.04956	7.0
119.08590	18.9
121.06514	46.9
121.10144	3.8
123.04422	4.2
123.08071	66.5
125.06002	66.7
125.09629	8.7
127.03920	14.2
128.06242	7.3
129.07014	12.8
130.07808	8.8
131.04964	4.6
131.08569	22.9
133.06490	25.8
133.10132	6.4
135.04433	11.5
135.08032	9.3
135.50983	1.8
137.02405	1.7
137.05988	11.4
139.07568	6.1
140.73152	1.8
141.06996	4.9
141.09099	15.4
142.07779	6.1
143.07048	46.2
143.08565	13.4
144.09344	4.2
145.04961	3.3
145.06488	19.3
145.10124	81.3
147.08057	15.2
147.11691	6.8
149.05957	6.3
149.09590	3.7
150.73268	2.0
151.07550	15.5
152.57907	2.1
153.06970	3.2
153.09105	2.9
154.07765	4.4
155.08540	10.5
156.09383	2.1
157.06520	5.6
157.08821	2.5
157.10162	10.9
158.07275	10.8
159.08058	20.7
159.10428	3.7
159.11687	31.2
161.05998	5.5
161.09627	7.1
161.13275	2.3
161.18333	1.8
163.07565	6.1
163.11165	19.5
163.12361	2.0
165.05562	2.9
165.06982	3.9
165.09163	4.2
167.05008	1.8
167.08588	4.5
167.10580	2.2
169.06442	3.6
169.08707	3.5
169.10132	12.2
170.07268	2.5
171.08078	7.7
171.11748	6.1
171.32567	1.7
172.08852	4.9
173.06030	4.8
173.09636	72.4
175.07579	7.3
175.11148	3.8
177.09155	12.6
177.12799	9.0
179.07062	2.7
179.08546	5.5
181.10136	3.0
182.07280	4.8
183.08070	3.7
183.10199	2.0
183.11690	2.0
185.09613	10.3
187.07585	7.0
187.11195	63.5
189.09048	8.9
189.12775	6.0
191.07014	2.9
191.10693	23.8
195.08064	2.7
195.11693	2.2
197.09619	17.4
199.07594	3.2
199.11179	7.6
201.09113	4.8
203.10727	4.3
205.08560	2.9
205.12245	52.2
207.08029	2.4
207.10123	5.4
207.11847	2.2
209.07983	3.5
209.11761	8.0
211.11211	4.1
213.09175	8.2
213.12700	2.7
215.10701	75.0
217.08578	2.5
217.12233	5.0
219.10217	5.5
221.13507	2.4
223.07553	2.1
225.09108	2.5
225.12923	2.0
227.10738	3.7
229.08603	3.1
229.12263	4.1
231.10139	12.2
233.11736	58.8
235.13377	2.9
241.12418	2.8
245.11722	4.5
249.11201	12.6
251.12799	29.0
263.12802	6.5
265.10657	2.5
267.12247	8.0
269.13867	3.7
273.11151	3.2
275.12775	5.3
279.12256	4.0
281.11765	2.8
285.13254	10.1
289.14426	2.9
291.12225	4.4
294.41907	1.8
295.13388	3.2
299.12717	5.5
301.19339	2.5
313.14383	5.7
317.13763	5.1
323.12836	3.0
329.13779	2.9
331.15598	3.7
335.14914	2.8
341.13855	6.7
349.16376	2.7
359.14816	11.8
373.20065	2.8
377.15854	15.0
395.17062	17.4
413.18082	12.9
535.25238	4.3
539.21704	2.4
679.29742	3.0
697.30469	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	698.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02176	0.1
51.02388	0.1
53.03949	0.1
53.24915	0.1
57.03403	0.1
59.64046	0.1
63.02396	0.1
65.03936	1.2
69.03436	0.3
70.06567	0.1
70.63431	0.1
71.24888	0.1
77.62184	0.1
79.05496	0.1
81.03416	1.0
81.07068	0.1
82.65642	0.1
83.04978	0.1
85.02921	0.5
91.05489	8.4
92.05819	0.1
93.07081	0.1
95.04988	0.1
95.08631	0.1
97.02935	0.1
99.04499	0.1
105.07059	0.1
107.08634	0.1
109.02895	0.3
119.04951	20.0
121.06519	0.3
122.03677	0.1
123.08102	0.1
127.03936	0.2
131.04901	0.1
131.08658	0.1
137.05991	4.8
145.06514	0.1
146.07289	0.1
147.04420	100.0
148.04736	0.7
149.05981	0.3
151.07541	0.6
161.06012	0.1
163.03979	0.1
164.07210	0.1
164.10724	0.1
165.05502	1.7
175.07439	0.1
177.05415	0.2
177.09129	0.6
189.09067	0.1
219.10284	0.1
237.11284	0.4
277.12283	0.1
290.09323	0.1
291.08545	0.9
295.13248	0.1
305.11832	0.4
309.09708	1.7
323.12927	0.3
337.14471	0.3
355.15460	1.3
373.16507	1.8
397.16763	0.1
480.83197	0.1
569.03906	0.1
639.13385	0.1
698.33868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84123	1.3
51.61515	1.3
55.05275	2.0
55.05515	28.0
57.03449	8.1
57.07077	17.9
60.77510	1.3
61.02611	1.5
61.02926	22.4
66.91952	1.6
67.05509	35.3
69.03422	5.3
69.07072	50.3
70.56967	3.6
70.57327	2.3
71.04994	2.5
71.08639	10.6
72.08161	2.1
73.02916	8.3
75.04471	2.6
79.05494	14.6
81.03413	2.8
81.07066	46.9
81.60677	1.2
83.04979	1.4
83.08159	2.5
83.08624	39.3
85.02908	27.5
85.06525	2.7
85.10191	7.1
91.03957	24.0
93.06499	1.6
93.07051	24.1
95.08617	46.1
97.02912	11.8
97.06548	8.8
97.10175	25.4
99.04435	1.6
99.08079	1.6
101.06040	1.6
107.08595	17.2
109.10163	25.2
111.08122	6.8
111.11710	10.3
115.03948	2.5
121.10148	40.1
123.11715	9.0
125.09650	3.0
125.13261	3.0
127.03896	8.5
131.08528	1.6
135.11705	31.4
136.06195	6.1
137.13249	3.4
139.11214	4.3
143.10733	1.4
145.04979	13.1
149.13280	12.9
151.14809	4.4
153.12732	1.8
163.06039	21.7
163.14810	5.7
165.16376	3.7
177.16446	3.1
185.15318	1.9
191.17973	2.5
217.54449	1.4
224.38844	1.5
247.24240	35.2
265.25272	90.7
266.25525	2.4
269.05978	1.5
283.23331	1.6
283.26337	23.6
324.26495	1.7
336.26892	1.5
339.28949	100.0
340.29132	3.2
357.30008	70.8
358.29971	1.8
501.33972	5.6
521.52106	1.8
587.97186	1.5
667.74664	1.9
698.44757	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	698.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.8
55.01868	9.1
55.05268	4.4
55.05516	42.2
55.19154	2.1
56.83309	2.1
57.03446	11.4
57.07076	6.3
65.03952	5.9
65.89490	1.9
67.05509	92.5
67.88800	2.2
69.03442	4.2
69.07069	28.9
69.28297	14.4
69.28707	5.1
71.04993	9.0
71.08633	27.4
79.05498	73.5
81.03410	8.8
81.07059	100.0
83.04980	17.3
83.08624	26.9
85.06543	7.1
91.05483	60.7
93.07053	81.3
95.04993	17.7
95.08615	56.5
97.06542	16.9
97.10178	12.3
98.20784	4.1
99.08089	22.1
105.04540	3.0
105.07038	37.3
107.04986	3.6
107.08595	37.5
109.06527	6.9
109.10173	20.4
110.42486	2.2
111.08081	9.1
117.07024	16.4
119.08596	27.1
121.06496	6.5
121.10145	23.3
123.08046	4.4
123.11733	5.0
125.09635	6.6
129.07027	8.0
131.08575	22.4
133.06487	3.1
133.10132	23.4
135.08063	5.1
135.11688	21.6
137.09631	4.1
137.13313	3.5
139.11209	4.7
143.08588	8.2
145.10115	12.5
147.11679	18.4
149.09673	2.4
149.13252	19.4
151.11198	26.0
155.08556	5.1
157.10133	6.3
159.11713	14.2
161.13274	12.6
163.11234	11.0
163.14819	3.6
165.12810	4.6
169.10120	4.4
171.11739	7.5
173.11807	3.2
173.13269	3.1
175.14870	5.3
177.12785	7.9
179.14337	9.1
181.10175	2.6
182.51236	2.1
183.11633	3.4
185.13266	4.4
187.14861	2.3
189.11299	5.1
189.16673	3.0
195.13771	11.6
199.14897	3.4
207.13719	2.7
208.96768	2.3
216.93474	1.9
227.12816	10.1
227.17970	2.2
241.19746	2.8
251.16527	3.4
259.17899	2.2
259.20593	8.3
267.15881	4.0
269.17517	40.9
277.21655	33.1
295.22723	3.5
351.25299	40.4
367.24664	4.2
431.27838	3.8
435.32224	3.2
445.29440	6.8
447.30768	4.2
453.33896	3.7
463.24310	2.7
463.30679	51.5
471.34995	2.7
489.36084	2.5
517.39008	3.3
527.37286	8.5
545.30493	4.3
545.38464	58.1
563.39288	7.6
663.47925	2.4
698.43585	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	699.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
57.99460	0.2
67.05514	0.5
68.70189	0.2
69.29855	1.8
79.05476	0.3
81.03395	0.2
81.07053	0.5
88.83070	0.2
91.05499	0.2
93.07050	0.3
95.08618	0.3
98.20826	0.4
106.27818	0.2
117.01302	0.2
129.07005	0.2
185.04315	0.6
191.63165	0.2
259.08075	0.5
347.09586	1.1
347.56830	0.2
375.25067	0.4
421.13196	0.3
467.16895	0.2
537.30426	22.1
538.30835	0.6
628.24365	0.2
633.29645	0.3
699.35657	100.0
700.35980	3.2
721.06000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45630	0.3
51.81549	0.3
55.01873	0.7
57.03434	1.1
61.02930	1.6
65.03946	0.6
69.03435	2.9
69.09179	0.4
69.48497	0.7
69.48898	2.0
70.06594	0.4
71.04998	0.7
73.02914	0.6
74.15628	0.3
78.21419	0.4
79.05501	0.7
81.03442	1.9
81.07066	0.6
85.02912	12.2
85.18014	0.4
87.04492	0.5
91.03960	0.6
91.05498	1.2
93.03424	0.7
94.04184	1.2
97.02896	3.7
98.21493	0.7
99.04482	0.5
103.05482	1.3
109.02898	1.0
109.06530	0.8
111.04475	0.9
115.04683	0.6
115.05446	5.2
117.07050	1.1
119.04967	0.4
122.03648	2.7
125.05993	1.4
127.03927	2.8
128.06198	0.9
128.99208	0.3
129.07018	4.6
131.04945	2.8
133.02908	0.6
135.04433	0.3
137.05988	68.6
143.04935	9.8
144.05650	1.0
145.04974	3.6
145.06491	1.2
145.07561	0.4
147.08063	0.5
149.06004	0.6
151.03894	1.1
151.07497	0.6
153.05492	2.3
157.06511	4.3
160.05209	14.1
161.06010	1.7
162.07677	0.5
163.03958	0.7
163.06093	1.0
163.07570	1.7
165.05531	0.3
167.07060	0.3
172.05174	2.6
173.06018	0.6
174.06728	1.7
175.07559	100.0
176.07858	1.0
177.09125	1.1
179.07074	0.9
180.08698	1.7
185.06049	0.4
187.07558	34.3
189.09099	7.0
199.07683	0.6
203.08594	1.4
205.08617	25.3
211.07552	1.5
217.08585	3.7
219.08067	1.0
231.08127	2.0
233.06094	0.4
235.09659	42.5
236.10060	0.4
239.07021	1.6
239.17868	0.4
240.07961	0.7
247.07524	1.3
248.08372	1.6
251.10654	0.9
255.06514	1.0
256.07339	0.7
259.07498	0.8
263.10663	2.6
265.08588	0.4
270.08942	2.2
271.09708	3.7
276.07870	1.2
279.10129	1.8
283.09625	1.0
291.10184	6.4
292.10941	0.4
296.10492	0.9
308.10571	0.5
311.12830	3.1
323.12759	7.2
341.13861	14.0
342.14188	0.6
730.47601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
53.26054	0.3
55.01872	0.3
55.05506	1.2
57.07078	6.3
57.43618	0.4
58.06605	2.2
60.99930	0.3
65.03937	3.3
67.05513	1.5
68.33736	0.3
68.68162	0.4
69.03421	1.1
69.25877	2.1
69.26297	0.7
70.06595	17.5
71.05002	0.3
71.08640	2.6
72.08149	1.1
79.01872	0.3
79.05479	0.9
81.03406	0.9
81.07055	1.1
83.04962	0.3
83.08642	0.3
84.03168	0.3
84.08141	1.1
85.02904	1.2
85.10177	1.0
86.09694	1.0
88.07632	16.1
88.45857	0.3
90.85404	0.3
91.05483	0.8
92.97304	0.3
93.03411	0.6
93.07034	0.7
93.61001	0.3
95.04971	0.4
95.08607	0.3
97.02886	0.7
97.10162	0.3
102.09180	13.0
103.01817	0.4
105.03439	0.5
105.07034	0.8
107.08604	0.5
109.10200	0.5
117.07030	0.4
119.08600	0.8
121.02842	1.6
123.17036	0.3
131.08604	0.3
132.10199	1.8
133.10149	0.4
139.03940	1.2
141.78847	0.3
146.10652	0.3
146.11746	1.7
147.04390	0.6
149.02356	53.3
149.03445	5.3
153.06863	0.4
159.08055	0.4
159.26241	0.3
163.03996	0.5
175.03938	1.5
177.05440	0.5
193.04968	26.9
212.23801	1.2
219.06596	1.1
225.05518	0.7
237.07568	4.0
238.25485	0.7
256.26355	40.1
263.09189	0.6
264.23004	0.3
269.04401	0.4
297.03992	0.8
300.29010	6.4
310.35211	0.3
313.07211	0.8
341.06531	3.2
359.07657	2.5
385.09174	9.3
387.10818	0.4
403.10217	10.3
429.11838	20.3
430.12732	0.4
473.14487	11.1
541.35297	0.6
640.35522	0.9
684.38116	0.8
702.38470	100.0
703.38751	3.2
721.20502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.05302	1.5
55.05520	14.7
57.03438	2.3
57.07067	3.7
58.92941	1.4
59.05000	1.4
67.05511	23.0
69.03422	10.5
69.07066	12.4
71.05001	10.9
71.51784	2.9
79.05495	9.5
81.03421	11.1
81.07060	100.0
83.04985	2.3
83.08604	3.6
85.02924	12.3
85.06558	6.4
89.06024	2.2
91.05482	7.5
93.07043	15.8
95.04983	9.7
95.08617	23.5
97.02908	5.2
97.06523	2.4
97.10170	7.1
99.04448	4.1
99.08091	3.5
105.07040	9.2
107.04929	1.8
107.08617	9.5
109.02882	10.6
109.06518	6.7
109.10157	9.6
111.08089	4.7
113.05983	1.8
118.40417	1.5
119.08580	5.4
120.30452	1.6
121.06525	4.4
121.10203	7.6
122.03665	2.7
123.08071	4.3
123.11715	69.5
127.03931	12.6
129.07027	2.8
131.08566	3.0
131.98572	1.5
133.10161	8.9
135.08054	2.2
137.05992	67.7
138.06361	2.2
141.12773	3.5
145.10103	4.8
146.07303	2.3
147.11694	3.0
149.05977	2.6
149.13200	2.0
151.07558	14.7
151.11188	12.7
155.08444	1.7
157.10106	1.9
159.11714	1.8
161.05997	4.5
162.06885	2.1
163.03880	4.5
169.12248	37.6
171.11678	1.7
175.14890	2.3
177.05411	2.4
177.09146	9.6
179.06966	1.9
187.13304	33.4
187.14807	2.1
203.06938	1.7
237.11108	3.0
269.71927	1.5
295.15555	8.3
305.11880	9.7
313.16537	7.8
323.12802	5.0
331.17545	25.4
337.14334	5.5
355.15491	14.5
373.16238	8.0
383.33154	2.8
397.16501	3.4
401.33936	5.1
418.34009	1.8
419.34955	5.9
439.17639	1.6
481.18457	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	703.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.6
53.69349	0.9
55.01877	4.8
55.05515	19.6
57.03436	6.0
57.07059	0.9
59.04986	1.1
61.02924	8.0
65.03942	2.0
67.05511	26.6
69.03437	13.5
69.07073	7.6
69.18893	0.8
69.38859	7.3
71.01356	1.1
71.04987	3.6
73.02931	4.6
79.05496	22.2
81.03421	20.1
81.06590	1.4
81.07057	21.6
83.04989	8.3
83.08632	9.9
85.02899	9.6
85.06540	1.4
87.79576	0.9
91.03960	3.7
91.05486	19.2
93.06496	1.0
93.07053	17.5
95.04967	5.5
95.08620	14.5
97.02898	12.1
97.06522	3.1
97.10175	14.2
99.04460	2.8
101.02402	1.8
103.03962	1.0
105.07045	17.8
107.04948	3.8
107.08595	13.7
108.55520	0.8
109.02876	4.0
109.06532	2.7
109.10152	10.4
110.10521	1.1
111.04435	2.0
111.08095	2.0
115.05450	1.5
117.07024	11.8
119.08592	12.7
121.06497	2.6
121.10160	5.3
123.08063	3.2
123.11742	1.5
125.09637	10.8
127.03909	5.1
128.06235	2.9
129.05492	2.1
129.07016	9.5
131.08557	12.8
133.06496	1.9
133.10136	9.2
135.08044	3.9
135.11691	4.7
141.06990	4.1
142.07797	2.1
143.08582	13.0
145.04868	1.2
145.06462	2.8
145.10141	12.6
147.08046	2.5
147.11722	5.3
149.09659	1.6
149.13196	1.8
151.11198	0.9
153.07025	1.3
153.12756	2.0
154.07761	1.5
155.08577	7.5
157.06482	1.7
157.10133	11.0
159.08040	2.6
159.11710	7.5
161.09595	1.9
161.13242	2.6
163.03923	1.1
163.11214	2.2
165.07039	1.6
166.07771	1.5
167.08563	3.3
168.09372	1.4
169.10144	7.0
171.08070	2.7
171.11694	9.9
173.04485	9.9
173.09641	2.9
173.13245	5.2
175.11165	2.1
175.14812	1.2
178.07733	1.0
179.08553	2.3
180.09355	1.1
181.10147	4.2
181.12355	1.9
183.08109	1.8
183.11699	7.7
185.09572	2.3
185.13264	7.0
187.14821	2.1
189.11247	5.7
189.12695	1.4
191.10655	1.4
192.09325	1.0
193.10133	2.2
195.11665	5.3
197.09593	2.2
197.13255	6.8
199.11198	2.6
199.14847	3.4
201.12691	1.6
205.10213	1.1
207.11732	2.5
209.13257	3.4
211.11353	1.1
211.14828	3.0
213.12762	1.6
219.11610	1.2
221.13235	2.5
223.14850	3.1
225.12846	1.3
225.16248	1.2
227.12700	9.3
229.14272	1.8
230.14746	1.1
233.13275	1.5
235.14833	2.5
239.14279	1.3
241.19553	1.5
245.13724	1.4
247.14731	1.3
249.16417	1.7
251.14194	0.9
253.15813	1.1
255.17284	0.9
257.19040	1.8
259.20532	3.9
260.21054	1.5
261.16278	1.0
275.20090	1.4
281.19000	1.5
283.15530	1.6
285.18512	1.0
285.22067	1.1
295.20670	2.3
297.22101	7.8
315.23248	2.7
333.24484	2.0
334.24521	1.5
337.21481	1.8
339.23135	2.1
363.23340	1.1
367.22742	2.4
403.29932	0.9
413.28488	1.4
421.30948	2.0
431.29480	3.6
449.30334	6.6
459.27472	1.0
467.31427	3.9
485.32462	2.3
488.34454	1.2
505.32986	1.5
513.35583	3.9
523.34119	12.3
539.33606	1.2
541.35291	100.0
542.35553	2.7
543.37488	0.9
559.36700	4.4
565.35016	1.1
583.36066	2.7
649.37006	2.8
667.38556	4.3
685.39661	7.8
703.40454	27.5
704.40460	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	703.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	18.8
55.01876	7.2
55.05507	33.2
55.42096	3.2
57.03434	16.4
57.07088	3.9
65.03945	7.2
67.05510	94.6
68.16873	3.5
69.03436	34.9
69.07068	23.9
71.04985	7.1
79.05499	100.0
79.05966	4.8
81.03421	52.0
81.07060	85.1
83.04964	18.5
83.08624	11.7
85.02912	19.0
85.06548	7.6
91.05489	82.2
93.07052	87.1
95.04975	28.0
95.08617	61.7
97.02899	13.4
97.06539	10.1
97.10151	5.5
98.21509	9.5
99.04453	7.4
105.04520	4.2
105.07050	45.1
107.04956	12.5
107.08609	32.4
109.02872	6.3
109.06544	7.8
109.10145	27.3
111.04439	4.1
115.05488	4.2
117.07015	24.5
119.08590	33.7
121.06493	9.9
121.10132	30.2
123.11698	3.7
127.03937	10.6
128.06210	5.5
129.05534	7.3
129.07033	23.1
131.08585	33.9
133.06526	8.9
133.10135	20.0
135.08046	4.7
135.11722	14.7
136.06253	4.1
141.06972	4.7
141.92268	3.8
143.08583	20.3
145.06520	8.9
145.10147	16.0
147.08060	7.2
147.11693	29.1
149.09547	4.6
157.06429	4.8
157.10130	6.4
159.08095	5.5
159.11716	10.3
161.09604	5.3
161.13278	13.0
169.10222	3.9
171.08026	6.0
171.11678	21.8
173.04529	6.8
173.13251	3.6
175.14928	4.0
184.07387	9.3
185.13269	7.2
187.14867	5.5
189.12755	6.6
199.14806	3.3
207.13789	16.8
223.14903	7.7
259.17026	7.6
261.22238	10.5
269.15472	5.0
281.17505	21.9
281.63110	4.1
287.16492	16.1
287.74487	3.8
309.16757	4.0
335.25818	82.3
347.02921	3.5
361.19971	4.9
425.21591	11.1
541.38873	54.4
555.40479	5.3
621.41193	7.7
703.45844	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	704.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
51.02385	0.6
53.03943	3.2
55.01868	0.9
55.05509	2.4
55.24539	0.2
57.03439	4.1
57.07073	0.3
59.04999	0.5
61.02914	0.5
65.03942	0.7
67.05502	2.3
69.03429	8.7
69.07059	0.3
69.92872	0.8
69.93300	0.3
71.04987	0.8
73.02924	0.6
74.39812	0.2
75.04478	7.4
75.07377	0.2
77.03926	0.9
78.90880	0.2
79.05494	18.6
80.06255	0.3
81.03419	10.6
81.07058	5.8
83.04990	1.0
85.02905	6.6
87.04470	0.9
91.05479	16.9
93.07043	100.0
94.04187	0.5
94.07377	0.4
95.04963	4.2
95.08608	4.0
97.02898	5.8
97.06536	0.9
99.04460	1.5
103.05474	2.1
105.04533	1.9
105.07030	9.6
106.07817	0.6
107.04972	1.2
107.08594	14.3
108.04479	0.5
109.02882	4.6
109.06513	0.9
109.10155	0.5
111.04481	1.2
111.08084	5.4
113.06010	0.3
115.05428	0.4
116.06237	1.0
117.07021	0.9
118.48777	0.2
118.63045	0.2
119.04999	0.2
119.08581	10.0
120.05745	0.3
121.06538	2.5
121.10143	96.4
122.03647	1.1
122.10477	0.9
123.04457	0.4
123.08067	1.6
123.11708	1.3
125.06010	0.8
126.05557	0.4
127.03921	3.7
129.05504	0.5
129.06963	1.1
131.04927	3.2
131.08571	7.0
133.07616	1.4
133.10133	1.1
135.08047	0.5
137.05978	23.4
139.03848	0.2
139.11183	4.1
143.08595	0.3
145.04951	2.1
145.06511	0.4
145.10109	0.8
147.04407	0.2
147.08061	0.8
149.05984	0.6
149.09619	30.1
150.10027	0.2
151.07536	3.3
157.06476	0.3
157.10121	0.5
159.08051	0.5
159.11679	0.4
161.06053	0.3
161.09598	0.6
163.03893	0.5
163.07545	1.8
163.11150	0.4
165.05444	0.4
165.09140	0.5
167.10677	27.3
169.10130	0.3
173.09613	0.3
175.07521	0.7
175.11086	0.4
177.05469	0.3
177.09151	0.4
179.07056	0.3
183.08163	0.2
183.11707	0.3
187.07515	0.5
187.11166	0.4
189.05399	0.3
189.09138	1.4
191.07031	0.3
191.10657	0.6
201.07454	0.3
201.09105	0.7
201.12646	0.2
203.08626	0.4
203.10495	0.4
205.08588	0.2
205.12018	0.2
209.11670	0.2
215.10690	0.3
223.09586	0.3
227.10695	0.2
229.12285	1.0
231.07996	0.7
233.11719	0.3
247.09744	0.3
247.13324	0.5
257.11789	0.5
257.15302	0.8
263.10675	0.9
265.14368	0.6
265.38223	0.2
275.12933	1.0
276.07916	0.2
283.15485	1.4
285.14941	1.0
291.10095	1.7
293.10675	0.3
293.13818	6.0
305.11523	0.5
311.14886	20.6
323.12796	1.5
328.17728	0.3
329.15976	1.7
341.09973	0.4
341.13846	6.4
353.13614	0.2
355.15060	0.4
359.14880	5.3
371.14737	0.5
383.14911	0.4
411.17804	0.6
423.66132	0.2
451.20892	0.9
467.16861	0.4
479.24384	1.0
489.22589	0.7
507.23798	2.5
651.27789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.1
56.05039	0.7
57.07065	0.2
58.06630	0.4
59.07383	0.1
60.08166	6.5
67.05499	0.5
69.07056	0.2
69.29566	0.7
70.06586	0.1
71.07375	3.7
71.08649	0.1
78.38040	0.1
79.05501	0.2
80.97394	0.1
81.07064	0.4
83.08632	0.2
86.09708	31.6
87.10050	0.2
91.05492	0.2
93.07025	0.2
95.08620	0.3
98.98464	3.7
104.10747	2.4
105.07034	0.1
107.08565	0.1
109.10164	0.3
125.00009	22.4
133.10146	0.2
135.11777	0.1
140.50822	0.1
143.01068	0.2
151.11246	0.1
166.02698	0.1
184.07344	100.0
185.07645	0.5
253.14325	0.5
271.15591	0.2
311.25998	0.1
496.33926	0.2
507.36755	0.2
563.42889	0.1
704.45032	8.1
705.45465	0.3
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
53.03941	5.6
55.01862	5.2
55.05519	22.3
57.03431	11.0
61.02917	9.3
65.03946	3.6
67.05510	34.5
69.03419	12.1
69.07089	9.9
69.65749	2.6
71.04987	5.2
71.13731	3.8
73.02892	6.1
73.33730	2.0
79.05499	31.4
81.03428	36.0
81.07059	35.1
83.04996	14.4
83.08619	13.5
85.02923	15.1
85.03355	2.6
85.06525	5.0
91.03947	4.6
91.05489	36.7
93.07040	27.8
95.04958	11.2
95.08614	22.3
97.02884	15.8
97.06528	6.1
97.10151	7.9
99.04472	2.6
105.04523	2.3
105.07034	31.3
107.04954	3.0
107.08586	18.4
109.02858	4.1
109.06528	5.9
109.10155	11.1
111.04435	7.5
111.08083	6.7
115.05425	3.3
116.16520	1.8
117.07018	11.4
119.08588	23.5
121.06496	4.3
121.10147	11.7
123.08078	2.7
123.11706	2.7
125.09621	4.9
127.03886	5.1
128.06236	3.8
129.05544	3.7
129.06995	14.3
131.08569	20.5
133.06520	2.4
133.10133	16.8
135.08078	6.4
135.11705	9.4
137.05939	2.0
141.06998	4.6
141.56091	2.1
142.07738	4.4
143.08582	12.5
145.06505	2.9
145.10109	18.0
147.07997	3.1
147.11688	17.5
149.09631	3.1
149.13321	3.2
155.08566	9.5
157.10114	16.0
159.08046	2.5
159.11653	10.8
161.09679	3.6
161.13232	8.1
163.11165	3.9
165.12743	2.5
169.10156	6.2
171.08118	2.1
171.11728	12.8
173.04504	3.0
173.09590	3.3
173.13252	7.6
175.11226	6.5
175.14784	3.1
179.08548	3.1
181.10121	4.8
181.12215	4.3
183.11647	8.0
185.13206	6.8
187.11194	2.5
187.14867	3.2
189.11150	3.2
189.12752	2.9
193.10355	2.2
193.12225	8.7
195.11674	4.4
197.13223	6.8
199.11227	4.3
199.14786	4.7
209.13289	4.1
211.11568	2.3
211.13248	12.5
211.14987	2.6
215.14293	2.2
227.12807	7.3
235.14845	3.4
241.19545	7.6
259.20688	13.8
267.15741	2.5
285.17053	6.4
297.21909	2.7
299.20441	2.1
299.23682	4.9
301.21844	3.1
315.23434	3.5
333.24207	12.0
367.22491	3.1
385.23334	2.9
429.21240	4.4
433.30981	4.9
435.27405	2.2
451.31873	8.2
469.33096	4.7
515.36743	2.8
525.35815	26.1
537.67773	2.6
543.36853	100.0
609.36426	2.9
651.38495	5.8
669.39655	5.5
687.41180	12.0
705.42499	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01866	4.8
55.05516	17.2
57.03426	7.5
57.07075	2.4
57.99187	2.1
61.02928	12.7
62.01928	2.7
64.71236	1.9
66.45625	2.4
67.05188	2.4
67.05515	35.2
69.03434	10.1
69.07066	10.2
69.22821	20.8
71.04980	5.1
73.02906	3.0
79.05151	2.2
79.05502	25.9
81.03431	26.8
81.07059	26.0
83.04976	7.3
83.08617	10.8
84.09235	1.8
85.02911	13.0
87.21660	2.0
91.03927	5.2
91.05491	19.4
93.07056	23.7
95.04990	13.5
95.08617	20.4
97.02882	12.4
97.06516	4.9
97.10150	8.7
98.20792	3.9
105.07040	21.8
107.04967	6.1
107.08607	17.1
109.02858	3.9
109.10181	14.0
111.04461	3.8
111.08060	3.9
117.07063	11.3
119.08597	15.2
121.06532	4.5
121.10149	7.8
123.08056	3.4
123.11737	3.3
125.09634	9.2
127.03937	4.9
128.11484	2.6
129.07047	10.8
131.08563	21.1
133.06467	3.7
133.10132	10.4
135.08044	3.4
135.11737	4.7
137.09604	3.2
143.08572	10.8
145.06458	3.5
145.10132	18.9
147.08075	2.8
147.11732	11.0
149.09628	3.2
149.13229	2.6
155.08549	5.6
157.10139	10.7
159.08002	2.8
159.11711	8.2
161.13251	4.5
163.11104	2.9
165.09132	9.8
167.08653	3.7
169.10143	5.8
171.08061	3.2
171.11679	7.2
173.04417	2.3
173.13190	5.2
175.11212	4.8
175.14819	2.6
177.12695	2.4
181.10060	3.4
183.11696	6.6
185.09637	3.2
185.13271	6.8
187.14836	2.6
189.11256	3.1
189.12843	2.7
193.12222	7.4
195.11699	3.5
196.12247	2.4
197.13252	4.2
199.14891	2.7
201.12933	2.0
209.13313	2.9
211.11224	3.2
211.13274	7.5
223.98958	2.1
227.12764	6.1
240.12794	2.1
241.19504	3.6
257.18887	2.1
259.20599	5.2
267.15759	3.2
275.20261	2.8
285.17056	2.6
299.23727	4.7
303.64014	2.4
333.23813	2.1
353.24545	2.7
421.25723	7.6
433.31113	4.0
435.27133	4.6
451.31918	8.8
458.71729	2.4
469.32617	3.6
489.33856	2.4
507.34634	3.2
525.35901	28.0
543.36823	100.0
544.36902	3.1
567.36768	3.1
588.84021	2.4
633.37885	2.7
651.38586	4.3
669.39581	4.7
687.40265	6.9
705.41229	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	705.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.5
53.03955	13.7
55.01876	13.9
55.05516	41.9
57.03448	15.9
57.07069	5.2
59.05014	2.3
61.02922	3.5
63.56333	2.2
65.03944	6.0
67.05510	79.0
69.03437	38.4
69.07081	20.8
71.04996	13.6
71.52856	3.0
74.12663	1.8
79.05502	58.8
81.03424	100.0
81.07063	77.7
81.07453	1.2
82.07366	2.3
83.04990	30.4
83.08624	21.2
85.02915	13.1
85.06541	3.6
86.09715	7.0
87.04471	5.0
89.00836	1.7
91.05488	47.2
93.07053	76.2
93.07642	4.5
95.04978	11.8
95.08617	45.7
97.02895	27.7
97.06522	12.3
97.10174	23.3
99.04460	10.5
99.08099	3.4
101.02375	1.9
103.03896	1.9
105.04509	3.4
105.07043	36.8
107.04997	9.9
107.08600	44.2
109.02895	21.9
109.06519	5.6
109.10162	23.4
111.04446	23.8
111.08104	12.9
111.69820	2.1
115.05414	2.8
117.07037	19.6
117.67363	2.2
119.04990	3.3
119.08588	32.3
119.09385	2.9
121.06496	9.9
121.10155	24.6
123.04408	2.9
123.08064	5.1
123.11713	8.2
125.00029	3.7
125.09615	17.4
127.03925	20.1
128.06250	3.7
129.05487	4.5
129.07013	14.5
130.07791	2.3
131.04892	2.0
131.08578	29.3
133.06541	2.7
133.10143	19.8
135.08047	5.8
135.11716	26.3
135.18134	1.8
137.09612	3.7
137.13295	2.7
141.07013	5.5
143.08553	10.9
145.06464	2.5
145.10129	30.1
147.08043	4.1
147.11671	14.1
149.09599	5.2
149.13283	4.6
153.06973	2.1
153.09167	2.0
153.12733	24.2
155.08578	7.5
157.10146	13.0
159.11728	17.3
161.13351	9.9
163.11177	26.0
163.14838	2.7
165.12764	2.6
167.08577	4.5
169.10114	6.3
171.08139	2.4
171.10338	2.5
171.11696	10.1
173.04477	29.6
173.09618	6.6
173.13271	9.0
175.11201	4.3
175.14813	4.6
177.12808	2.3
181.10104	3.6
181.12247	22.1
183.11742	7.6
184.07384	16.9
185.07695	2.2
185.09669	2.1
185.13313	7.0
187.11226	2.5
187.14822	5.3
189.11194	10.3
191.10686	16.6
193.10204	2.4
193.12192	5.0
195.11717	3.1
197.13310	5.5
199.14873	5.0
209.11739	8.4
209.13411	4.0
211.13136	3.2
211.14899	2.5
213.12733	2.1
219.17488	2.0
223.14822	2.3
227.12788	47.1
227.14937	2.8
233.15369	2.2
240.47873	1.9
243.21106	2.5
257.19357	1.7
258.99292	1.9
259.20615	6.0
261.22153	10.6
264.85010	1.8
265.31958	1.8
273.22052	2.3
274.70074	1.8
283.15433	25.8
283.20712	2.5
297.22339	2.9
299.23782	8.0
301.16403	5.7
301.21637	3.3
317.24719	4.2
333.24268	5.3
335.25821	38.4
341.24713	2.4
351.23157	5.5
353.16013	6.8
357.24188	2.3
369.24097	4.2
387.25415	2.2
423.32242	2.5
427.19656	14.4
433.31052	2.6
443.28427	2.3
451.32010	8.7
469.32980	6.4
487.34268	2.0
499.34253	2.1
515.37238	7.0
525.35651	20.0
543.36853	67.0
561.37994	9.6
585.38068	2.9
597.97998	1.9
632.60864	2.0
633.37592	2.3
651.38403	2.6
669.39648	6.4
687.40930	31.2
705.31122	3.2
705.42139	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	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.7
53.03944	15.5
53.13280	1.7
55.01875	12.4
55.05272	2.6
55.05515	41.9
57.03437	13.5
57.07081	2.6
59.05013	1.7
61.02929	1.9
65.03943	5.1
66.92592	1.6
67.05508	83.4
69.03436	38.5
69.07072	22.1
69.82078	7.2
70.93232	1.5
71.01357	2.7
71.05000	16.1
73.02898	2.0
77.03942	1.8
77.49252	1.5
79.05024	1.5
79.05497	58.4
81.03423	100.0
81.07061	70.6
83.04993	30.2
83.08618	23.3
85.02911	14.5
85.06552	4.2
86.09703	8.0
87.04477	2.9
91.05486	50.0
93.07052	66.1
95.04988	16.2
95.08611	46.5
97.02902	27.6
97.06537	10.9
97.10178	20.8
98.21404	2.7
99.04459	15.3
99.08075	2.1
105.04492	2.7
105.07032	40.3
107.04955	9.8
107.08607	40.5
109.02882	22.7
109.06531	8.4
109.09395	2.0
109.10155	31.7
109.10844	2.9
111.04450	29.4
111.08095	13.2
113.09709	2.0
115.05459	3.8
116.06226	1.9
117.07017	21.6
119.08585	33.7
121.06515	7.1
121.10139	24.3
123.04446	2.8
123.08057	6.2
123.11703	6.5
124.99966	4.0
125.05969	1.9
125.09642	20.8
127.03925	19.1
128.06250	3.6
129.05470	4.2
129.07013	11.9
131.04970	2.0
131.08572	34.2
133.06488	4.5
133.10146	25.9
135.08043	6.7
135.11691	25.4
137.05972	2.8
137.09630	2.9
137.13313	2.4
139.11134	2.2
141.07022	4.2
142.07745	2.3
143.08569	13.7
145.06534	3.3
145.10139	34.2
147.08035	6.1
147.11732	15.6
149.09634	6.2
149.13246	6.9
151.11230	3.1
153.09204	2.2
153.12737	18.3
155.08549	9.6
157.06274	1.8
157.10110	13.9
159.08058	4.3
159.11696	16.8
161.09662	4.0
161.13292	7.9
163.11226	20.2
163.14845	2.7
165.06923	2.8
167.08571	3.0
169.10146	12.8
171.08051	2.7
171.10274	2.9
171.11707	11.1
173.04477	40.3
173.09718	7.6
173.11861	2.7
173.13263	11.3
175.11200	4.6
175.14783	4.6
177.12772	2.4
179.08536	1.8
181.10159	3.4
181.12245	20.0
181.69189	1.7
183.11697	7.4
184.07347	22.3
185.07713	1.9
185.09583	2.3
185.13277	7.7
187.11172	3.5
187.14804	5.5
189.09492	2.1
189.11224	11.9
189.12775	3.3
191.10707	15.6
193.10086	2.0
193.12119	4.3
195.11722	3.0
197.09547	1.6
197.13225	5.6
199.11343	2.0
199.14816	4.9
201.16484	2.5
207.11670	4.0
209.11723	7.1
209.13474	2.9
211.11327	1.6
211.14923	4.0
213.12892	2.2
213.16406	1.7
215.14371	2.2
227.12778	57.8
227.14951	3.1
239.14471	2.1
241.19559	3.0
243.21101	3.3
245.13704	2.6
259.20621	4.6
261.22156	10.6
267.15802	3.1
273.22058	1.8
277.21695	2.5
279.23389	2.4
283.15405	28.6
283.20248	2.4
297.22205	4.2
299.23669	10.8
301.16443	4.9
301.21585	4.0
313.21655	2.3
315.23361	3.1
317.24817	5.6
325.21466	2.4
327.23163	3.3
333.24185	3.4
335.25821	26.8
351.23047	3.3
353.15985	9.3
369.24179	5.8
387.25323	4.3
405.26508	2.9
423.32642	2.3
426.53983	2.0
427.19611	13.9
433.30923	6.0
443.27740	3.6
451.32028	9.0
469.33029	7.1
487.34109	4.2
515.37158	6.1
525.28424	3.3
525.35724	25.8
527.38190	2.6
533.37842	2.3
541.34082	2.4
543.36841	86.5
544.37451	4.0
561.38275	10.0
568.83734	1.8
597.37830	2.3
613.37177	1.8
651.38721	5.8
669.39856	7.3
687.29852	2.9
687.40808	27.3
705.29578	2.8
705.41992	46.8
706.43933	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	705.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43322	2.3
53.03952	15.4
55.01874	15.8
55.05269	3.2
55.05515	43.6
57.03448	15.1
57.07062	3.0
59.04979	2.6
61.02940	2.7
62.61229	1.8
65.03939	4.6
67.05511	86.3
69.03094	2.3
69.03436	37.6
69.07067	17.9
70.56834	5.9
71.04994	16.9
73.02892	2.7
79.05502	66.9
81.03423	100.0
81.06591	4.0
81.07061	78.1
83.04993	33.8
83.08628	20.6
85.02911	17.3
85.06536	4.8
91.05486	53.8
93.07052	72.6
95.04975	19.6
95.08611	49.0
97.02311	2.4
97.02902	33.6
97.06510	13.1
97.10179	21.3
99.04462	16.4
103.05431	3.1
105.07040	41.9
107.04970	11.4
107.08604	45.0
109.02885	26.6
109.06508	7.0
109.10171	27.1
111.03719	3.6
111.04446	34.6
111.08076	11.7
115.05424	2.1
117.07034	22.2
119.08591	36.0
121.06529	4.3
121.10146	31.9
123.04402	2.9
123.08085	5.0
123.11724	6.8
125.05992	2.7
125.09625	16.2
127.03927	23.1
128.06232	3.0
129.05502	3.4
129.07018	13.9
131.08578	34.8
133.06529	2.7
133.10138	23.7
135.08035	6.2
135.11691	30.0
137.09595	3.0
137.13261	2.8
139.11179	2.6
141.06993	3.2
141.26302	1.9
142.07805	3.4
143.08578	11.2
145.06496	4.1
145.10112	32.6
147.11699	18.1
149.05942	2.5
149.09627	7.4
149.13248	8.0
153.12738	23.6
155.08572	7.9
157.06421	2.8
157.10173	11.9
157.41273	2.0
159.08051	5.5
159.11682	21.3
161.09576	3.4
161.13219	9.6
163.11188	26.9
163.14806	4.2
167.08559	2.9
169.10168	9.0
170.40985	2.3
171.08105	3.1
171.11694	10.0
173.04472	28.8
173.09592	6.4
173.13228	13.4
175.11212	3.6
175.14920	3.4
177.12764	2.9
181.10124	4.9
181.12239	23.6
183.11732	6.9
185.13268	7.0
187.11186	2.3
187.14871	8.1
189.11273	10.8
191.10690	17.4
193.12262	2.9
195.11723	2.7
197.13252	4.3
199.14810	5.1
201.16412	2.6
209.11642	10.3
211.14932	3.6
213.12914	2.4
227.12782	54.8
227.14905	3.5
237.16344	2.2
245.13847	2.8
259.20514	4.8
261.22137	13.3
264.05545	1.9
271.20258	2.0
273.22086	4.0
277.21548	2.9
283.15390	24.2
299.23645	8.9
301.16479	3.9
311.19922	2.0
315.23297	4.3
317.24777	6.5
335.15079	2.3
335.25839	45.0
341.24744	2.5
353.16086	11.0
363.25079	3.0
369.24109	6.5
387.25455	4.7
405.26422	2.1
409.18137	2.4
423.32944	2.7
427.19620	16.2
433.31055	3.2
451.32108	7.4
461.28775	3.3
469.33099	2.9
515.37103	5.6
525.35938	15.8
543.36853	69.8
561.38055	10.8
585.37457	2.5
595.97137	2.2
651.39215	4.2
669.39337	7.8
687.40979	33.6
705.42126	43.8
737.13080	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	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.6
55.01873	14.3
55.05517	35.3
57.03439	13.9
57.07079	2.7
65.03937	3.8
65.64008	1.7
67.05508	75.1
69.03433	36.0
69.07075	21.0
71.04986	15.1
73.02905	2.2
79.05498	56.3
81.03423	100.0
81.07057	61.7
83.04984	26.7
83.08627	22.9
85.02901	11.8
85.06551	4.6
91.05487	45.9
93.07049	56.3
95.04977	16.8
95.08616	51.4
95.09229	1.2
97.02893	29.5
97.06542	9.7
97.10177	23.2
99.04458	12.4
99.08098	2.2
103.05468	3.0
105.04544	2.6
105.07037	35.3
107.04974	9.7
107.08605	38.5
109.02892	22.0
109.06519	8.8
109.10174	22.6
111.04461	24.6
111.08084	10.9
113.85014	1.9
115.03884	2.3
115.05461	4.6
117.07030	21.7
119.04843	1.8
119.08592	31.8
121.06528	4.8
121.10144	24.3
123.04426	2.3
123.08087	6.6
123.11697	4.9
125.06040	3.3
125.09646	15.1
127.03913	17.4
128.06216	3.2
129.07002	10.8
130.07791	2.2
131.08568	25.6
133.06508	3.2
133.10139	18.7
135.08047	4.2
135.11691	28.4
137.09576	4.0
141.06999	2.3
142.07776	4.4
143.08578	9.8
145.06476	3.1
145.10135	29.6
147.08060	5.2
147.11725	16.7
149.09642	3.8
149.13257	7.6
151.11278	2.3
153.07001	1.9
153.12750	22.1
155.08543	7.5
157.10168	10.1
159.08066	3.8
159.11661	13.7
161.09605	4.5
161.13287	6.5
163.11224	20.5
166.15097	1.9
169.10152	7.2
171.10394	2.0
171.11659	10.8
171.73314	2.7
173.04472	33.0
173.09608	6.6
173.13283	11.1
175.11186	3.0
181.10211	2.9
181.12227	17.0
183.11702	8.7
185.09698	2.9
185.13245	7.5
187.13326	2.8
187.14862	5.3
189.09300	2.1
189.11194	7.7
189.12776	3.4
191.10667	15.5
193.12228	2.9
195.11694	2.4
197.13255	6.2
201.16422	3.5
209.11723	7.4
211.13237	3.1
213.16452	2.7
223.14857	4.1
225.16313	2.9
226.49632	2.0
227.12762	45.5
243.21184	2.7
259.20602	3.6
261.22144	8.8
267.15787	3.7
277.21732	2.5
283.15387	22.5
283.20374	2.4
285.16898	2.5
299.23727	7.5
301.16595	4.0
301.21701	4.9
315.23044	3.5
317.24503	3.9
333.24042	3.4
335.25812	27.3
341.24652	2.5
343.23575	2.0
351.23425	3.0
353.15997	7.6
369.24350	6.3
387.25128	2.6
427.19766	16.2
433.30792	4.0
441.80618	2.0
451.31897	5.8
461.29306	2.4
465.90976	1.9
469.33051	3.9
487.34149	2.1
515.37048	2.8
525.35730	18.6
541.34998	2.5
543.36865	58.6
544.37219	2.4
561.37775	9.0
633.37061	2.1
651.38696	3.4
669.39746	7.7
687.40985	27.0
705.41937	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01860	3.5
55.05515	14.0
57.03443	5.8
57.07056	1.0
59.04988	0.8
61.02932	10.3
65.03940	1.6
67.05508	21.9
69.03432	7.8
69.06787	0.5
69.07081	6.3
69.85153	3.5
71.01374	1.0
71.05002	3.7
73.02924	3.8
79.05497	18.3
81.03422	19.2
81.07063	20.6
83.04973	5.4
83.08624	8.9
85.02917	10.5
85.06523	1.9
87.04464	1.0
87.13687	0.7
91.03955	4.2
91.05486	17.3
93.07045	15.3
95.04979	8.2
95.08613	12.0
97.02301	0.9
97.02901	9.5
97.06525	2.2
97.10173	6.5
99.04457	1.8
105.04537	1.0
105.07043	15.9
107.04939	3.0
107.08602	9.1
109.02868	2.0
109.06536	2.3
109.10170	8.5
111.04432	2.5
111.08076	3.4
115.05473	1.3
117.07023	10.1
119.08592	14.2
121.06542	3.3
121.10144	7.7
123.08064	2.4
123.11713	2.6
125.09616	5.8
127.03934	3.2
128.06236	2.1
129.05515	1.6
129.07021	7.2
129.60970	0.7
130.07794	1.1
131.08574	13.7
133.06502	1.5
133.10144	9.5
135.08110	1.5
135.11671	4.7
137.09619	1.2
139.11154	0.8
141.06961	3.9
142.07811	1.8
143.08559	7.6
145.06519	2.2
145.10126	9.6
147.08090	1.6
147.11726	6.4
149.09644	1.9
149.13254	1.2
153.06955	1.0
153.09178	1.1
153.12718	1.7
155.08603	5.0
157.06465	1.1
157.10149	9.0
159.08092	2.6
159.11681	7.7
161.09612	1.0
161.13258	2.9
163.11182	3.1
163.14745	0.7
165.12743	0.8
166.07777	0.7
167.08571	3.1
168.19167	0.7
169.10168	5.0
170.65121	0.6
171.08005	1.2
171.11705	6.7
173.04443	2.2
173.09642	2.4
173.13274	5.0
175.11221	2.8
175.14847	1.9
177.12711	1.1
179.08615	0.8
181.10158	3.6
181.12225	1.4
182.11038	0.6
183.08083	1.3
183.11696	4.7
185.09627	1.6
185.13269	4.8
187.11223	1.9
187.13313	1.2
187.14865	2.3
189.11267	2.0
189.12791	1.3
191.10698	1.2
193.10536	1.3
193.12247	6.9
195.11766	3.8
197.09561	0.7
197.13297	3.9
199.11240	1.7
199.14839	2.7
201.12814	1.1
201.16377	1.1
203.14369	0.7
207.11682	1.2
209.13321	2.5
211.11285	1.1
211.13316	6.0
211.14813	1.4
213.12753	1.5
213.16444	1.9
219.11723	0.8
221.13336	1.6
223.14940	1.6
225.12778	0.9
225.16441	1.8
227.10841	1.0
227.12592	3.8
229.14381	1.4
237.12784	1.1
237.16460	1.6
239.18077	0.9
241.19606	2.1
243.15996	0.9
257.19211	1.0
259.20575	3.8
267.15802	1.7
271.20670	0.8
275.20297	1.1
283.20544	1.4
285.16824	1.6
297.22308	1.9
299.23660	3.7
301.21622	1.6
313.21811	0.8
315.23230	1.4
325.21503	0.9
333.24228	4.0
335.25833	1.2
339.23145	1.5
341.25006	0.9
343.22684	0.9
345.24719	0.8
367.22543	1.0
371.25980	0.8
403.24991	1.1
415.30005	0.9
421.25903	3.3
423.32721	1.2
429.21277	1.5
433.31012	4.8
435.27234	3.5
451.32034	7.0
469.33234	3.4
490.09225	0.8
507.34970	1.8
515.37280	0.9
525.35870	21.0
526.35840	1.0
541.34967	0.9
543.36853	100.0
544.37231	2.9
567.36536	1.3
585.37891	2.6
591.36938	0.9
609.37274	1.2
633.38232	1.7
639.39221	0.8
651.38458	3.7
669.39935	3.4
687.41016	6.3
705.32257	21.3
705.42297	14.4
706.42767	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01872	1.4
55.05235	0.7
55.05510	14.4
57.03441	3.3
57.07068	4.0
57.61039	0.6
59.04996	1.8
65.03943	0.9
67.05507	20.8
69.03429	5.4
69.07067	4.9
69.32632	4.7
70.06590	0.8
70.88129	0.6
71.00843	0.4
71.01350	0.7
71.04994	10.6
73.02870	0.5
79.05071	0.9
79.05494	11.4
81.03424	12.8
81.07057	100.0
82.07407	0.6
83.01324	1.2
83.04984	2.4
83.08617	4.5
85.02912	6.0
85.06544	6.7
89.06033	2.0
91.05485	5.8
93.07048	15.2
93.07643	0.8
95.04973	8.0
95.08611	21.4
97.02888	4.6
97.06552	2.0
97.10169	9.6
98.21089	2.4
99.04469	2.4
99.08102	2.1
103.05446	0.7
105.07039	5.2
107.04949	2.5
107.08597	7.9
108.04530	0.7
109.02885	8.8
109.06520	5.1
109.10155	4.6
111.04424	1.6
111.08089	4.1
113.06026	0.8
113.09670	0.5
117.07002	1.3
119.08578	2.6
121.06506	0.8
121.10147	5.5
122.03668	1.1
123.08117	2.0
123.11709	62.8
124.12019	0.9
125.05968	0.9
125.09660	1.1
127.03927	10.7
127.07549	0.7
127.31262	0.6
129.07072	0.7
131.04898	3.0
131.08601	1.1
133.10133	6.1
135.04413	1.1
135.08101	0.6
135.11702	3.8
137.05978	23.0
139.11298	0.6
141.12762	2.2
145.02869	0.6
145.04927	1.2
145.10103	3.1
149.05957	0.8
151.07626	0.6
151.11191	11.1
152.32941	0.5
153.12666	0.8
155.07021	0.6
161.06042	0.9
161.09630	0.6
162.32283	0.6
163.03900	8.2
163.07585	2.3
163.11166	4.9
165.09106	0.6
169.12242	44.3
170.12650	0.7
172.03987	1.2
173.04370	0.5
173.09674	0.6
175.07536	1.0
181.12286	0.6
187.13295	26.2
187.14983	1.3
189.09172	0.6
190.44975	0.5
191.10785	0.7
193.12177	1.3
204.06667	1.8
209.11777	2.4
211.13278	0.9
220.20096	0.5
223.09836	0.8
227.12820	2.9
229.14412	2.2
246.54524	0.6
249.14844	1.1
263.10782	1.5
267.15930	2.4
271.15396	0.8
277.14301	3.0
283.15408	12.4
283.18561	0.8
291.10211	1.6
295.15424	10.2
295.18570	0.7
299.11621	0.5
299.15079	1.9
301.16541	1.7
313.16501	7.3
323.12793	2.1
325.08936	0.6
331.17523	28.7
341.13803	7.9
341.17538	0.7
359.14850	7.0
361.14648	0.5
380.42911	0.6
455.48911	0.6
459.27649	1.3
473.25793	1.5
477.28525	1.1
491.26437	9.7
509.27386	4.2
581.23083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01880	14.0
55.05517	25.2
57.03442	15.8
57.07076	1.2
59.05000	3.7
61.02933	5.5
65.03943	1.5
67.05510	28.7
69.03441	5.6
69.07073	9.0
70.06592	2.1
70.22077	1.1
71.01347	2.4
71.04995	5.4
71.51939	1.6
73.02917	3.5
79.05499	35.2
81.03428	29.3
81.03809	0.7
81.07060	29.5
82.04200	2.3
83.01361	7.4
83.04985	17.3
83.08624	14.2
84.02103	1.4
85.02906	12.8
85.06561	1.5
86.09688	1.8
91.03954	2.4
91.05486	24.4
93.07050	28.1
94.07437	1.3
95.04982	15.8
95.08624	16.4
97.02898	9.3
97.06531	10.0
97.10187	10.5
98.07339	2.8
99.04448	4.1
103.05501	1.9
105.04536	1.6
105.07047	13.2
105.86920	1.1
107.04955	14.1
107.08604	22.3
109.02903	1.2
109.06534	7.5
109.10162	12.4
111.04454	4.6
111.08047	2.5
116.04738	6.5
117.07027	9.8
119.08597	16.5
121.06509	5.0
121.10152	12.0
123.04436	1.8
123.08070	12.6
123.11710	2.3
125.05988	2.2
125.09636	11.6
127.03931	2.7
129.05495	15.7
129.07002	5.8
130.07794	1.5
131.08582	8.2
133.06490	1.5
133.10143	8.2
135.04469	3.1
135.08058	3.8
135.11710	16.3
137.06020	2.1
137.09644	3.8
139.07550	2.2
143.07059	3.6
143.08562	3.6
145.02896	1.3
145.10132	18.0
147.08073	4.5
147.11717	6.0
149.09651	4.1
151.11227	2.5
153.12750	7.3
155.08595	2.4
157.08607	6.5
157.10123	3.2
163.03912	19.2
163.11186	30.5
165.09183	2.2
171.10228	2.0
171.11700	2.6
173.09639	4.8
173.11763	3.3
175.11238	2.5
181.12234	6.3
184.07349	2.1
189.11237	4.3
191.10699	7.9
193.12201	5.7
199.13301	4.4
201.14943	2.2
209.11719	13.5
210.12500	1.8
211.13307	3.1
227.12767	17.2
229.14400	4.9
255.00476	1.2
265.14536	2.7
267.15912	9.0
268.16467	1.4
278.84885	1.4
281.17490	3.9
283.15414	100.0
284.15964	2.3
285.17175	1.4
301.16486	46.8
325.09171	2.4
329.17285	1.3
330.07446	1.3
337.16351	2.7
347.18536	1.5
365.19797	1.5
395.31754	1.2
401.23505	1.3
405.29889	3.5
407.24451	2.2
408.31296	1.5
425.25168	2.7
437.25461	10.7
457.25870	2.3
459.27805	1.2
473.29181	10.1
475.27167	8.1
477.28522	1.9
487.03445	1.3
491.26276	18.1
492.26938	6.9
509.27444	69.9
527.28424	4.1
642.24573	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05041	0.6
57.03426	0.1
57.07079	0.2
58.06628	0.4
59.07394	0.2
60.08168	6.4
60.59291	0.1
62.27958	0.1
67.05511	0.6
69.03428	0.2
69.07054	0.1
70.06602	0.1
71.07378	3.5
71.08654	0.1
77.94835	0.1
79.05495	0.3
81.03418	0.5
81.07059	0.6
83.04967	0.2
83.08632	0.1
85.02934	0.1
86.09711	32.2
87.04474	0.7
87.10037	0.2
91.05482	0.4
93.07030	0.4
95.04981	0.3
95.08604	0.4
97.02859	0.1
97.06580	0.1
97.10179	0.1
98.98470	3.4
104.10749	2.6
105.07014	0.3
107.08604	0.2
109.10140	0.2
111.04424	0.1
117.07018	0.1
119.08574	0.2
121.10179	0.1
125.00012	21.1
129.06979	0.1
131.08556	0.1
133.10123	0.2
135.11685	0.1
143.01079	0.2
145.10222	0.1
147.11693	0.1
149.09679	0.1
163.11197	0.1
166.02689	0.1
175.11113	0.1
184.07350	100.0
185.07672	0.5
193.12195	0.1
211.13344	0.2
267.15790	0.1
285.17044	0.1
297.60120	0.1
335.25839	0.3
388.13599	0.1
450.23068	0.2
496.34052	0.2
545.38129	0.2
633.83307	0.1
643.50714	0.1
689.42902	0.1
706.46552	10.1
707.47034	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.4
69.03419	1.3
69.34364	3.6
73.02914	1.2
81.03407	0.6
82.99899	1.4
85.02914	2.8
97.02900	1.5
98.20773	0.8
98.97588	1.4
101.00889	6.3
102.96883	1.0
109.02822	0.8
113.00891	1.6
116.84019	0.4
119.01922	7.8
121.01441	0.7
121.38667	0.4
122.01409	3.5
122.51482	0.8
127.02433	2.5
127.03933	1.4
128.01366	1.2
131.01913	6.4
137.01901	3.7
137.51944	0.7
139.02402	1.0
143.01907	20.2
143.51920	1.0
145.03477	6.1
147.01392	0.6
149.01906	1.5
152.02444	2.9
155.01897	12.7
157.03484	4.1
158.02422	1.4
158.99687	1.0
161.02972	14.0
163.02475	0.8
164.02435	1.3
167.01888	9.3
169.03525	2.0
170.99623	0.6
171.05058	2.5
173.02977	18.9
173.52988	1.2
175.04536	0.5
177.00703	0.7
179.01788	3.0
182.03432	1.3
184.02945	1.0
185.02959	31.7
186.03200	0.6
187.04547	3.7
191.03993	1.2
192.55074	0.5
193.03540	2.9
193.53874	0.6
194.03494	2.1
197.02960	14.0
199.04411	0.5
201.00700	0.6
202.04100	1.4
202.54219	0.7
203.03964	13.8
203.54089	0.8
205.00090	0.6
209.02995	1.6
212.04575	0.5
215.04007	7.4
219.01785	0.8
221.03281	1.7
221.05103	3.7
223.01013	0.8
224.04515	3.2
224.54637	0.9
227.04022	8.7
232.03577	0.5
233.05077	1.8
237.02832	0.7
239.03995	1.0
239.06158	1.8
241.02029	0.5
243.01855	0.6
245.05087	100.0
246.05289	2.0
254.05571	1.6
254.55688	0.5
257.05099	5.6
261.02878	0.8
262.04547	0.7
263.03323	0.9
263.06155	16.9
265.02292	0.8
274.06293	0.9
275.06143	23.7
282.57520	0.8
283.03476	0.9
283.06754	3.0
283.57016	2.5
284.06711	7.4
284.56699	2.5
286.07892	0.6
293.07263	3.3
305.07196	13.9
335.08328	3.9
347.08237	1.2
363.10132	1.5
363.60355	1.3
364.09482	5.1
364.59506	4.5
365.09335	53.4
365.59372	3.6
366.09341	1.8
373.08209	1.0
383.10312	3.6
394.58475	0.6
395.08823	0.6
407.10342	1.1
425.11423	45.5
426.11905	2.0
437.11484	3.9
455.12460	3.4
485.13547	1.2
535.65955	1.1
545.13995	0.9
600.82483	0.5
676.77124	0.5
707.18689	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	707.377
Annotation	Tetrastachynine
Peak:m/z	Relative Intensity
53.88090	0.9
55.05509	2.0
58.93895	0.9
67.05497	3.3
69.03423	0.9
69.07082	1.3
71.52875	1.1
79.05489	2.2
81.03431	2.3
81.07045	3.2
83.04984	1.3
86.09705	5.2
87.04487	2.4
91.05494	1.4
93.07032	1.3
95.08601	2.3
97.06525	0.8
105.07002	1.3
107.04910	0.8
118.92096	0.9
125.00001	3.9
131.08571	1.2
149.09770	0.8
161.09618	0.8
184.07367	13.7
185.07753	1.8
206.42184	0.8
263.23889	0.8
336.40326	0.8
360.78870	0.7
429.74026	0.8
545.38129	1.5
700.09576	0.9
707.37640	100.0
708.38013	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	707.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44703	1.4
53.03948	9.3
55.01873	8.0
55.05511	37.3
57.03444	14.3
57.07071	1.8
59.05006	1.4
61.02925	2.3
65.03928	2.8
67.05509	79.3
68.14727	1.5
69.03088	1.9
69.03438	24.0
69.07072	19.5
69.75930	3.4
69.76343	4.3
71.01347	2.1
71.04994	11.1
79.05025	2.2
79.05499	57.3
81.03422	100.0
81.07058	83.0
83.04990	35.0
83.08624	27.6
85.02912	20.9
85.06521	3.1
91.05484	52.0
93.07048	59.8
95.01333	1.6
95.04973	33.4
95.08611	55.6
97.02898	23.7
97.06544	8.8
97.10184	10.1
97.65503	1.5
99.04462	4.2
99.08075	4.3
102.59116	1.4
103.05462	2.6
105.07030	37.6
107.04984	8.8
107.08600	35.3
109.02887	15.4
109.06506	6.6
109.10159	23.4
111.04461	18.4
111.08084	15.3
113.06005	2.5
115.05481	3.5
117.07037	15.3
117.08964	1.4
119.07816	2.4
119.08588	31.8
121.06466	5.2
121.10152	29.5
123.08046	3.3
123.11715	8.9
125.09632	5.3
127.03905	10.1
128.06186	1.7
129.05495	8.4
129.06990	15.0
131.07611	1.9
131.08577	28.2
133.06485	4.5
133.10139	25.9
135.08066	2.4
135.11688	20.8
137.09619	3.1
141.06987	2.6
142.07803	5.0
143.08580	5.9
144.09273	1.5
145.06497	2.8
145.10135	17.0
147.08026	5.2
147.11685	26.3
149.09668	7.6
149.13278	6.6
153.12762	4.1
155.08534	3.2
157.10126	16.8
159.08005	1.9
159.11723	10.2
161.09589	2.5
161.13242	5.8
163.11198	7.1
163.14853	2.1
165.12782	5.1
169.10132	3.9
171.08139	1.9
171.11688	4.7
173.09607	2.5
173.13223	7.1
175.11209	16.1
175.14752	1.5
177.12733	2.1
181.12209	4.0
183.11693	2.6
185.13322	1.7
187.14836	3.6
189.09065	1.6
189.11137	2.2
191.10609	5.3
193.12257	46.4
195.11594	1.7
197.13275	2.7
199.14738	2.3
211.13289	73.4
213.12520	2.0
215.14262	2.0
221.13199	1.9
227.12724	9.4
229.14365	2.8
242.18413	1.8
243.21190	3.1
259.20471	2.1
261.22147	13.1
267.15936	16.1
283.15338	3.5
285.16983	29.4
285.22055	2.5
303.22958	2.0
315.23276	1.7
317.24631	4.5
323.23871	2.4
327.23193	2.7
333.24371	1.7
335.25827	64.1
337.16400	2.9
337.27325	4.1
351.23221	4.2
355.17456	4.4
357.24072	1.5
369.24203	5.1
387.25162	5.1
405.26541	3.4
411.20065	3.1
427.19690	1.8
429.21286	13.3
435.32697	2.2
443.27621	2.7
453.33463	2.8
461.28995	3.5
479.30231	3.3
527.37415	16.7
545.38379	79.3
546.38483	3.2
563.39832	2.1
653.40430	7.3
671.41327	7.0
689.42572	37.1
707.43671	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	707.437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39822	1.4
51.68311	1.4
53.03947	8.7
55.01870	7.0
55.05514	28.4
57.03429	14.0
57.07080	20.9
58.24952	1.9
65.03927	3.8
67.05507	68.6
69.03435	23.0
69.07075	17.3
69.45290	6.2
69.45716	5.8
71.04998	10.0
71.08636	1.7
73.02922	2.0
74.86984	1.4
79.05497	49.3
81.03422	86.7
81.07057	77.9
81.07536	4.0
83.04984	30.7
83.08620	27.3
85.02907	20.8
85.06541	4.4
87.04472	100.0
88.04806	10.3
89.06024	3.5
91.05485	54.4
93.07049	49.1
95.04974	27.4
95.08609	48.4
97.02892	15.5
97.06523	7.0
97.10174	7.7
99.04459	3.7
99.08148	2.2
103.05510	2.4
103.55743	1.7
105.04509	3.0
105.07040	39.7
107.04960	11.0
107.08602	31.7
109.02907	9.7
109.06519	8.1
109.10165	25.0
111.04452	15.6
111.08070	10.5
115.05440	3.5
117.07008	13.0
119.08593	33.2
121.06528	11.0
121.10149	25.3
123.04423	2.0
123.08063	5.1
123.11713	9.0
125.09624	3.3
127.03925	8.0
129.05487	5.5
129.07010	15.4
131.07056	3.1
131.08577	24.6
133.06506	4.5
133.10115	21.5
135.08060	3.8
135.11711	18.3
137.09642	4.2
141.06989	3.5
142.07788	2.4
143.08563	7.0
145.10100	16.4
147.08070	8.7
147.11661	21.9
149.09622	8.8
149.13258	5.1
151.11154	2.1
153.12741	4.6
155.08551	6.6
157.10153	14.6
159.11673	13.6
161.09683	2.3
161.13277	6.6
163.11174	5.6
163.14775	3.6
165.09158	1.8
165.12744	6.8
167.08624	2.5
169.10136	4.0
171.08075	2.2
171.11687	5.9
173.09634	3.9
173.13269	7.2
175.11182	15.1
175.14752	2.0
177.12770	2.7
181.10132	3.6
181.12233	6.2
183.11674	2.6
184.07347	1.9
185.13281	4.8
187.14781	3.9
189.12694	2.0
191.10687	6.6
193.10422	3.3
193.12244	38.9
195.11693	2.3
197.13295	2.0
199.14867	2.3
207.11800	2.1
209.11647	2.0
209.13380	2.4
211.13287	60.4
211.15300	3.4
219.12248	2.6
227.12691	11.5
229.14406	4.9
233.18999	2.1
243.21060	3.1
249.14850	3.1
255.26605	1.9
259.20438	2.3
261.22141	9.6
267.15891	18.0
273.22009	2.9
277.21762	3.9
278.21982	2.8
283.15369	5.1
284.97162	1.9
285.17014	24.2
285.22168	2.0
303.23068	1.8
317.24683	2.7
325.21780	1.8
333.24402	2.3
335.25800	30.5
337.27374	5.3
351.22937	3.9
355.17502	2.3
359.26074	1.9
369.24054	8.7
387.25345	5.7
405.26447	3.7
425.26563	2.1
427.19907	2.3
429.21240	13.6
443.27875	4.5
461.29102	4.1
469.98499	1.9
479.30026	3.3
527.37415	17.8
543.36200	2.0
545.38379	60.4
607.93738	1.8
615.38513	2.7
629.40704	2.0
653.40741	10.8
657.85773	2.0
671.41565	8.6
689.42615	27.2
707.47076	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	707.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.0
53.03949	9.7
55.01885	8.7
55.05272	2.4
55.05515	34.1
57.03441	20.0
57.07071	4.0
58.65541	1.8
61.02921	2.0
62.63867	1.7
65.03934	6.0
67.05508	84.9
68.05792	1.7
69.03436	24.0
69.07072	25.4
69.81886	3.7
69.82300	6.2
71.01353	3.0
71.04994	10.4
73.02917	2.3
79.05499	70.9
81.03423	100.0
81.07058	84.8
83.04984	37.9
83.08625	28.4
85.02904	21.6
85.06523	4.5
87.12473	1.9
91.03938	2.5
91.05482	50.2
93.07047	65.7
95.04967	30.7
95.08611	52.0
97.02897	21.8
97.06522	7.5
97.10166	8.2
99.04446	5.5
99.08086	2.2
105.07037	35.1
107.04972	8.4
107.08600	34.5
109.02882	10.2
109.06546	8.8
109.10165	21.8
111.04436	17.5
111.08086	12.1
113.06019	2.2
115.05434	2.2
117.07018	12.3
119.08591	35.9
121.06501	3.6
121.10140	27.5
123.08056	3.4
123.11718	10.2
123.89825	1.6
125.05994	1.8
125.09667	3.5
125.68664	1.9
127.03914	11.0
129.05467	8.1
129.07011	15.7
130.61053	1.6
131.08569	25.0
133.06473	3.7
133.10144	19.2
135.08073	3.2
135.11697	16.0
137.09607	5.3
137.13330	2.1
141.06961	2.5
142.07777	4.3
143.08524	5.1
145.06436	2.2
145.10114	11.4
147.08055	5.3
147.11700	25.9
149.09622	7.1
149.13242	8.6
151.11206	2.6
153.12732	4.7
155.08530	3.4
157.10149	16.2
159.11694	9.2
161.13254	7.9
163.11171	8.2
163.94872	2.1
165.12753	5.6
169.10126	3.7
171.11716	3.8
173.09636	3.7
173.13271	7.5
175.11200	18.0
175.14766	1.8
181.10136	2.7
181.12259	6.9
183.11719	3.6
185.13307	3.3
187.14778	4.1
191.10684	5.8
193.10451	2.9
193.12256	50.4
199.14848	3.1
209.11589	2.6
211.13295	68.0
223.19255	1.7
227.12737	13.0
229.14386	6.1
233.18851	1.7
261.22159	11.7
267.15884	12.4
283.06131	2.8
283.15430	5.2
285.16959	23.4
301.21576	2.2
302.93213	2.4
317.24457	2.4
335.25836	69.0
337.27289	5.8
351.23148	2.6
355.17676	4.8
369.24219	6.1
387.25409	4.7
411.20016	2.6
427.19702	2.7
429.21262	14.8
435.32666	2.0
443.27533	2.8
461.28888	4.2
467.76089	1.8
479.30075	3.2
527.37207	11.6
543.37140	2.1
545.38397	76.4
546.38525	3.6
604.76019	1.8
653.39984	6.9
671.41010	6.2
689.42590	34.7
707.43756	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	707.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.01862	7.0
55.05513	32.5
57.03200	1.6
57.03444	15.3
57.07063	3.3
65.03941	4.4
67.05511	68.7
69.03440	20.5
69.07079	19.3
69.82008	8.0
69.82368	2.6
71.04985	9.9
78.98556	2.0
79.05499	53.9
81.03423	100.0
81.07065	68.0
81.13976	1.6
83.04496	2.3
83.04980	31.4
83.08624	22.7
85.02908	17.6
85.06545	4.2
87.04463	1.8
91.05488	46.6
93.07049	52.6
95.04980	29.3
95.08616	45.1
96.69294	1.5
97.02888	16.9
97.06526	8.1
97.10160	7.8
98.20776	2.5
99.04454	6.0
99.08102	2.9
103.05437	2.1
105.07035	33.8
107.04949	10.5
107.08605	26.6
109.02893	12.3
109.06506	5.8
109.10162	17.6
111.04440	19.5
111.08097	11.1
113.05982	2.3
115.05466	4.0
117.07002	12.7
119.07815	2.5
119.08596	30.0
121.06483	4.3
121.10157	26.6
123.04418	3.3
123.08086	4.3
123.11720	7.9
123.72557	1.5
125.09615	5.9
127.03905	7.6
128.06253	1.7
129.05533	8.1
129.07019	15.6
131.04976	2.3
131.08575	26.7
133.06517	5.7
133.10133	21.2
135.08064	3.2
135.11702	13.8
137.09615	2.6
137.13202	2.2
142.07780	2.7
143.08545	7.2
145.10135	16.6
147.08051	6.3
147.11697	21.7
149.09605	7.4
149.13202	5.5
151.11203	1.7
153.12737	4.8
155.08578	4.1
157.06497	2.1
157.10106	15.5
159.08061	2.7
159.11720	9.1
161.09637	1.5
161.13278	5.1
163.11192	8.3
163.14850	3.9
165.12752	4.9
169.10107	4.2
171.11684	5.4
173.09691	2.6
173.13261	5.9
174.03685	1.8
175.11218	10.5
175.14780	4.7
181.10132	2.1
181.12181	7.0
183.11700	2.3
185.09669	2.8
185.13310	4.2
187.11130	2.1
187.14828	4.5
189.12715	3.0
191.10663	6.1
193.12271	39.1
195.11703	2.9
197.13184	2.1
199.14774	4.3
201.16411	1.9
211.13287	57.2
227.12770	10.7
229.14354	6.4
243.20982	3.7
249.14909	2.6
259.20392	3.1
261.22223	9.8
267.15988	20.6
283.15372	7.2
285.17035	24.7
285.21875	2.0
301.16516	2.2
301.21524	3.9
303.23251	3.1
309.17023	3.1
317.24637	2.1
335.22025	3.1
335.25827	37.9
337.27313	6.1
345.24091	2.5
351.23169	4.5
355.17477	2.0
369.24191	10.6
371.25647	2.1
387.25311	4.1
405.26309	4.0
411.20242	1.9
427.19705	3.2
429.21310	18.1
443.27975	5.4
454.79318	1.8
461.28949	5.9
479.30060	4.4
527.37286	16.5
543.35944	2.0
545.38385	50.8
563.39081	2.0
579.83557	1.9
629.40088	3.1
653.40631	9.1
671.41345	7.7
689.42615	24.0
707.43512	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	708.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.5
51.16687	1.4
51.88557	1.2
52.40216	1.4
53.03954	5.4
55.01870	18.2
55.05241	2.5
55.05510	41.9
57.03158	1.5
57.03438	27.9
57.07064	2.4
59.04993	2.5
59.80764	1.2
61.02929	11.3
65.03928	2.6
66.16459	1.4
67.05506	62.7
69.03437	13.5
69.07070	21.0
71.01339	2.6
71.04993	11.5
71.52388	1.6
73.02926	7.4
79.05494	57.3
81.03419	100.0
81.07057	62.2
82.04196	3.6
82.07391	4.1
83.04979	37.4
83.08616	39.6
85.02905	36.2
85.03433	1.8
85.06531	6.2
91.03945	2.9
91.05482	57.0
92.05821	1.9
93.07043	49.4
94.07376	4.0
95.04967	47.1
95.08603	26.3
97.02892	15.7
97.06528	15.9
97.10159	18.1
98.07314	4.5
99.04465	3.1
99.08086	2.3
101.06037	2.1
105.07029	35.9
105.07691	2.2
107.04959	20.5
107.08594	28.3
109.02893	5.3
109.06535	10.7
109.10162	21.4
111.04440	9.0
111.08076	21.0
113.06032	2.6
115.05484	2.4
116.04703	13.8
117.06998	7.9
119.04892	1.7
119.08585	35.1
121.06529	7.7
121.10142	24.6
121.10947	2.4
122.10410	1.4
123.08070	10.1
123.11691	9.1
124.12052	2.3
125.09637	17.2
127.03926	5.3
127.11273	2.1
128.06305	1.4
129.05484	27.1
129.06985	17.8
131.04929	1.9
131.08556	18.6
133.06509	4.5
133.10129	25.8
135.08064	4.4
135.11696	14.5
137.05968	8.3
137.09628	6.5
142.07756	5.4
143.07037	5.6
143.10716	2.1
145.10121	15.4
147.08067	7.2
147.11682	25.1
149.09631	14.4
151.07570	2.0
151.11206	2.6
153.09090	2.1
153.12758	5.4
155.08534	2.3
157.08629	12.8
157.10138	23.8
163.03931	6.4
163.11172	19.1
165.09058	2.2
165.12787	4.8
169.10147	1.5
169.12187	3.5
171.06642	2.3
171.10204	4.1
173.09612	4.6
173.11746	4.8
175.07527	3.5
175.11186	24.5
181.12178	6.5
185.11755	3.0
187.07613	1.8
187.13251	2.6
188.13731	1.6
189.09320	2.4
189.11217	7.1
189.12727	1.6
191.10645	7.5
193.12251	75.4
199.09587	1.9
199.13281	14.4
200.14038	2.4
203.37643	1.5
205.08612	1.7
209.11716	13.2
211.13287	91.2
227.12755	17.0
229.14435	7.6
243.99103	1.4
247.13367	3.6
261.08740	1.4
265.14450	2.2
267.15933	33.4
283.15405	27.8
284.15894	2.6
285.16968	65.2
295.15497	1.4
301.16458	56.0
332.17853	1.6
339.18063	2.0
409.25967	3.6
421.25620	4.4
427.26889	5.6
439.26904	18.7
440.26706	1.6
458.01181	1.6
459.27423	3.6
475.26974	11.1
477.28516	3.8
493.27911	47.4
494.28751	4.5
511.28967	56.3
678.23120	1.5
709.28070	14.7
712.54272	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
56.67017	0.3
63.02353	0.7
67.05492	0.6
68.26110	0.3
69.03431	1.2
69.07059	0.5
70.94513	0.4
71.05000	0.6
71.51701	0.4
78.04688	0.5
79.05493	1.0
81.03432	3.1
81.07055	1.7
83.04970	0.5
85.02912	2.1
89.03412	0.6
89.03918	6.3
91.05482	1.7
93.07046	1.3
95.04976	0.8
95.08623	1.0
97.02886	0.8
97.06516	0.4
103.05504	0.4
105.07041	0.7
106.04209	0.5
107.04941	0.9
107.08588	1.0
109.02885	1.3
109.06538	0.4
109.10162	0.7
117.03393	16.9
119.04906	0.6
121.06506	0.8
123.08115	0.5
127.03951	0.8
129.06993	0.6
131.08580	0.4
134.03647	1.0
135.04411	1.1
135.11748	0.4
137.05974	3.4
137.09596	0.4
145.02863	45.2
147.04393	1.8
147.11661	0.6
149.05995	6.7
151.03951	0.4
151.07568	3.6
158.05988	0.6
161.05969	0.9
163.03891	0.7
163.07707	0.4
165.09071	0.4
175.04013	0.6
175.07576	1.2
177.05489	100.0
178.05844	1.1
179.06937	0.5
186.05540	2.0
187.07590	0.7
189.09148	0.7
195.06535	1.7
201.05389	0.4
207.06583	1.5
225.09296	0.4
227.07245	0.4
279.08688	0.6
321.09586	3.0
339.10852	4.6
358.98380	0.4
379.15695	0.5
397.16135	0.5
481.18573	0.7
641.21735	0.5
651.17279	0.4
711.24146	0.7
711.36700	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	712.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54019	0.4
53.03948	2.8
55.01865	1.8
55.05243	0.4
55.05513	13.3
57.03440	13.7
57.07078	2.0
61.02925	3.0
65.03936	2.0
67.05507	51.5
69.03421	1.3
69.07072	14.5
69.19835	3.6
71.01366	2.7
71.05000	3.0
71.08643	0.6
73.02898	0.5
77.03919	0.4
79.05496	42.3
80.05811	0.4
80.56617	0.4
81.03413	3.1
81.07059	37.3
83.04987	5.7
83.08607	4.2
85.02908	2.8
85.06542	2.6
91.03957	0.9
91.05485	20.8
93.07046	52.8
95.04965	3.9
95.08610	25.3
97.02886	1.3
97.06535	7.8
97.10170	7.4
99.04475	0.8
99.08095	1.6
105.04521	1.3
105.07037	10.1
107.04953	0.9
107.08598	31.5
109.06529	1.4
109.10158	13.0
111.08083	2.3
111.11724	0.7
111.54773	0.4
113.09682	0.5
115.05421	0.5
117.07019	5.3
119.08587	9.4
121.06545	0.7
121.10148	14.1
121.98891	0.4
123.08064	0.6
123.11727	2.7
125.09640	1.2
129.06975	0.5
130.07796	0.7
131.08578	6.7
133.10139	7.4
135.08116	0.9
135.11694	37.4
136.12093	0.5
137.09619	1.6
137.13249	0.9
139.11150	0.4
143.08588	0.5
145.10126	9.7
147.11697	3.4
149.13249	3.8
151.11218	0.9
153.12788	1.1
159.11690	3.4
161.13284	2.8
163.11211	4.2
163.14835	1.5
173.13228	3.0
174.13757	0.4
175.14789	0.8
177.16428	0.5
181.12247	7.4
187.14856	1.3
199.13266	1.3
201.16498	0.4
232.31361	0.4
243.21049	4.1
253.14420	2.4
255.15921	53.9
256.16290	1.0
261.22156	11.0
299.23776	0.6
317.24878	2.9
317.53726	0.4
333.24222	0.6
335.25803	39.9
336.26251	1.2
405.31506	0.6
423.32394	1.3
441.33780	1.7
459.34683	0.8
497.36349	0.9
508.95279	0.4
515.37347	100.0
516.37805	3.4
533.38232	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	713.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
53.03957	0.3
55.01859	0.8
57.03438	0.3
65.03928	0.8
66.04716	0.9
67.05489	1.0
69.03428	0.4
69.07077	0.4
70.39899	0.2
71.05975	0.3
71.06309	0.3
74.15285	0.2
77.03944	0.3
79.05502	1.7
79.93299	0.2
81.03428	1.5
81.07053	1.5
83.04990	0.3
85.02898	0.6
91.05485	2.0
93.03392	0.5
93.07022	0.4
94.04184	5.6
94.61020	0.2
95.04969	0.9
95.08611	0.5
97.02871	0.5
103.05470	1.6
105.07027	0.9
107.04948	1.2
107.08592	0.3
109.02862	1.1
109.06528	1.8
109.10145	0.3
111.04450	0.6
115.05458	2.8
117.07034	1.9
119.04935	0.4
121.06511	1.2
122.03649	11.2
123.04415	0.6
123.11745	0.2
125.05999	0.3
127.03919	0.3
128.06219	1.6
129.07004	3.2
131.04935	2.8
133.06508	0.4
133.10092	0.3
135.04395	1.6
135.08046	0.3
137.02493	1.5
137.05980	100.0
138.06300	0.8
139.03818	0.3
141.07021	0.3
143.04924	5.6
144.05705	0.8
145.06487	2.8
145.10162	0.2
146.03632	0.7
146.07248	0.9
147.04366	0.6
147.08069	0.7
149.05991	0.7
151.03909	4.6
151.05032	0.3
151.07532	1.2
153.05455	0.6
155.06047	0.4
157.06487	3.6
158.07298	1.4
159.04405	0.9
159.08046	1.2
160.05211	1.2
161.05997	2.1
161.09656	0.3
163.03891	0.3
163.07538	1.1
165.01813	0.2
165.05481	0.5
165.06859	0.4
167.03412	0.3
167.07074	0.3
167.08475	0.2
171.04442	0.6
171.08098	0.7
172.05157	0.7
172.08768	0.9
173.06004	1.0
173.09615	0.3
174.06761	2.0
175.07558	6.8
176.07880	0.3
177.05507	0.9
177.09125	0.7
179.07022	0.3
179.08601	0.3
181.06560	0.4
184.05296	0.3
185.05965	0.6
187.07547	3.8
188.08276	0.4
189.05476	0.7
189.09132	2.6
191.07051	0.6
191.08640	0.4
195.08000	0.3
199.07646	0.6
201.05461	0.3
201.09050	0.4
203.07037	1.2
205.04924	0.6
205.06721	0.5
205.08557	1.9
206.07254	0.5
207.08078	0.5
209.06108	0.3
211.07547	0.7
215.06992	0.5
217.06683	0.4
217.08653	1.0
218.07242	0.5
219.08105	1.0
221.06061	0.5
221.09627	0.7
223.07437	0.4
225.09094	0.3
227.07112	0.5
231.08072	0.6
232.09003	0.4
233.05978	0.4
233.08034	0.7
233.09894	0.4
234.06763	0.6
235.07585	0.6
237.09093	0.5
239.07065	0.8
240.07762	0.3
241.08551	0.4
243.10222	0.3
245.09637	0.3
247.07602	0.7
248.08212	0.5
249.05493	0.5
249.09059	1.4
250.06261	0.2
250.09911	0.5
251.07024	0.4
251.10573	0.3
253.08597	0.6
254.09401	2.3
257.07999	0.2
259.09781	0.4
261.09067	1.2
262.06357	0.3
262.10010	0.3
263.07147	0.7
263.10541	1.1
264.07727	0.3
265.08612	0.9
267.06467	0.4
267.10272	0.4
269.08115	0.5
271.09650	0.8
273.07568	1.6
275.10617	0.4
276.07846	0.3
277.08643	0.9
277.11664	0.2
278.09390	0.4
279.10172	1.0
280.10776	0.5
281.08447	0.4
281.11743	0.7
282.12503	0.8
283.09985	0.3
285.07611	1.6
287.09137	1.5
291.06918	0.2
291.10184	1.0
292.07547	0.4
292.10818	0.5
293.08142	1.0
293.11719	0.9
294.09128	0.3
294.12381	2.1
295.09616	0.9
295.13062	0.4
297.11230	0.4
298.08340	0.5
299.09079	0.6
301.06949	1.9
303.08789	0.7
305.11829	0.4
306.12360	1.3
307.09790	0.6
308.10455	0.4
309.11157	0.7
310.11929	0.4
311.09326	0.7
313.10727	2.6
321.11255	0.4
323.09109	1.9
323.12424	0.5
325.10687	0.8
335.09055	0.6
337.10678	1.0
338.11526	0.4
339.12442	0.4
341.10260	3.5
353.10196	1.3
371.11169	0.6
429.29800	0.3
447.14282	0.7
459.14392	0.9
461.15875	0.9
471.14459	0.3
473.16074	0.3
477.15088	0.6
479.16840	0.3
489.15518	0.7
491.16641	0.4
507.16562	2.2
511.17621	0.9
513.18823	0.3
525.17688	1.5
529.18066	0.6
541.18518	0.6
561.21088	0.6
594.18445	0.3
635.22186	0.7
647.22577	0.8
653.24335	0.3
665.24017	1.4
677.23431	0.6
683.24805	1.9
695.24646	1.0
713.25653	44.1
714.25983	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01859	0.8
65.03935	0.9
66.01073	0.3
66.04713	0.9
66.24727	0.3
67.05491	0.8
69.03427	0.4
70.54832	0.3
70.55181	0.5
79.05493	1.5
81.03420	1.6
81.07059	1.3
83.04966	0.3
85.02889	0.4
89.05900	0.2
91.05482	2.3
93.03389	0.4
93.07047	0.5
94.04192	6.3
95.04958	0.9
95.08604	0.5
97.02873	0.4
103.05486	1.7
105.03408	0.5
105.07033	0.7
107.04935	1.3
109.02877	1.3
109.06511	1.9
111.04445	0.4
115.05456	2.8
117.07031	1.8
119.04935	0.8
119.08621	0.3
121.02873	0.4
121.06487	1.3
121.10167	0.3
122.03657	11.1
123.04430	0.9
123.11678	0.3
125.06005	0.3
128.06245	1.4
129.07014	3.3
131.04938	2.9
131.08554	0.5
133.06517	0.6
133.10114	0.2
135.04410	1.8
135.08057	0.3
137.02469	1.7
137.05984	100.0
138.06339	0.9
141.06998	0.4
143.04944	5.6
143.05989	0.2
144.05728	0.9
145.06496	3.2
146.03632	0.5
146.07280	0.5
147.04410	0.8
147.08047	0.9
147.11705	0.3
149.05983	0.6
151.03928	4.9
151.05028	0.3
151.07568	0.9
153.05463	0.8
153.06883	0.3
155.04944	0.4
155.06108	0.4
157.06514	2.2
158.07254	1.4
159.04462	0.7
159.08081	0.9
160.05226	1.2
161.05984	2.2
163.03915	0.4
163.07574	1.1
165.05504	0.8
165.06949	0.5
167.03407	0.4
167.07066	0.4
167.08488	0.2
171.04366	0.4
171.08076	1.0
172.05219	0.5
172.08908	0.9
173.06012	0.9
173.09604	0.4
174.06767	1.3
175.07552	5.6
177.05447	1.0
177.06885	0.3
177.09148	0.6
179.07057	0.3
183.08055	0.4
185.05928	0.3
187.03989	0.3
187.07567	3.7
188.08325	0.4
189.05443	1.0
189.07497	0.4
189.09096	2.5
191.06982	0.6
193.06589	0.3
195.08125	0.3
197.13295	0.3
199.07515	0.6
200.04694	0.2
201.09142	0.6
203.07060	1.3
203.21487	0.3
205.04955	0.8
205.08495	1.8
207.08136	0.5
209.06012	0.3
211.07556	0.8
213.05508	0.4
215.07079	0.9
216.25119	0.2
217.08620	0.5
218.07344	0.4
219.08113	0.9
221.06125	0.6
221.09598	0.5
223.07626	0.3
224.08380	0.4
226.06311	0.2
227.07080	0.6
229.08669	0.3
231.08110	0.4
233.06004	0.4
233.08072	0.8
234.06778	0.6
235.07610	0.6
236.08203	0.3
237.09154	0.6
239.07016	0.7
241.08521	0.4
247.07558	0.7
249.05627	0.2
249.09143	0.8
250.06306	0.4
250.09981	0.4
251.07109	0.6
251.10724	0.7
252.07942	0.3
253.08611	0.6
254.09431	1.3
257.08206	0.3
259.09738	0.6
261.09201	1.0
262.06439	0.3
262.09860	0.5
263.07031	0.5
263.10681	0.5
264.07809	0.6
265.08676	0.8
266.09213	0.3
267.10226	0.3
271.09750	1.1
273.07584	1.2
275.10876	0.6
277.08643	1.2
278.05951	0.2
278.09421	0.3
279.06769	0.2
279.10181	0.8
280.07666	0.3
280.10944	0.4
281.08270	0.3
281.11652	0.7
282.12582	0.6
285.07571	2.2
287.09259	1.5
290.07956	0.3
291.06848	0.3
291.10141	0.4
292.10852	0.3
293.08167	0.7
293.11728	0.9
294.09460	0.3
294.12408	1.3
295.09714	0.5
296.10370	0.3
297.11285	0.5
298.08560	0.4
299.09204	0.4
301.07040	1.4
303.08679	0.4
305.11795	0.3
306.09329	0.3
306.12497	1.2
307.09683	0.8
308.10373	0.3
309.07706	0.4
309.11325	0.8
310.08383	0.3
310.11923	0.4
311.09326	0.4
313.10724	1.4
321.11243	0.5
323.09216	1.8
323.12732	0.4
324.13519	0.3
325.10712	1.0
326.11575	0.4
335.09091	0.3
337.10867	1.3
338.11548	0.6
339.12323	0.4
341.10257	2.2
353.10370	1.3
353.87738	0.3
371.11227	0.4
405.13724	0.3
412.11435	0.3
447.14297	0.4
449.15482	0.3
459.14359	0.8
461.16180	0.7
477.15399	0.5
489.15381	0.6
491.16531	0.4
493.17883	0.3
495.16733	0.3
499.17520	0.3
503.36606	0.3
507.16592	2.7
511.17322	0.7
525.17578	2.2
529.18488	0.3
541.18634	0.4
543.20361	0.3
559.19849	0.6
561.21094	0.6
589.20740	0.4
635.22913	0.7
647.22894	0.3
653.23236	0.4
655.25037	0.3
659.22858	0.3
665.23462	1.1
667.25598	0.3
677.23553	0.8
683.24945	4.2
695.24786	1.3
713.25854	43.1
714.26202	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	714.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37122	0.1
53.03937	0.5
55.01876	0.1
55.05525	0.2
62.65654	0.1
63.02383	0.4
65.03960	0.2
69.03445	0.7
69.07054	0.1
71.04998	0.2
71.25540	0.1
79.05503	0.7
81.03429	2.4
81.07073	0.1
85.02913	1.0
89.03925	4.5
91.05495	0.3
94.04164	0.2
95.04971	0.3
95.08600	0.2
97.02897	0.5
98.20733	0.3
99.04440	0.1
105.07015	0.2
107.04971	1.4
109.02892	0.9
115.05440	0.2
117.03392	5.8
118.45824	0.1
121.06485	0.2
122.03665	0.6
127.03912	0.5
129.07027	0.2
131.04915	0.2
135.04428	12.0
137.05988	5.4
138.06316	1.1
143.04933	0.5
144.05290	0.2
145.02858	10.5
147.04376	0.2
151.03928	0.6
151.07539	0.3
152.04297	0.2
161.05986	0.3
163.03915	100.0
164.04222	0.9
173.05844	0.2
175.07523	0.4
177.09126	0.3
181.04962	4.0
186.05540	0.3
187.07680	0.1
189.09166	0.2
208.09415	0.1
221.00557	0.1
254.54962	0.1
289.07190	0.1
305.11765	0.2
307.08115	2.7
325.09192	6.8
355.15460	0.4
373.16434	0.8
383.42346	0.1
508.16849	0.2
684.25079	0.2
696.25165	0.2
714.25928	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	714.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01878	0.7
57.03431	0.9
61.02911	1.5
65.03945	0.5
69.03438	3.0
69.63692	1.7
71.04945	0.3
73.02908	0.6
74.47807	0.4
79.05450	0.4
81.03413	0.9
85.02908	14.2
91.03954	0.4
91.05476	1.3
94.04181	1.2
97.02896	4.7
107.04945	0.5
109.02890	1.4
115.05470	0.6
117.06997	1.2
119.40636	0.3
121.06503	5.1
122.03651	4.5
127.03888	2.4
131.04977	0.7
136.05206	0.8
137.05983	100.0
138.06311	1.4
145.04956	4.2
145.06479	1.5
146.07278	4.0
147.04359	0.3
147.08034	1.0
149.05995	6.3
151.07547	12.8
152.07108	0.3
161.05975	0.8
162.06793	1.2
163.06036	1.4
165.05515	2.7
165.09135	0.4
174.06671	0.5
175.07587	0.7
177.05530	3.8
177.09114	12.4
179.07014	1.8
180.06555	0.6
187.07497	0.6
189.09100	1.8
191.10669	1.4
201.09076	1.7
203.10612	0.7
205.08546	0.7
217.08685	0.9
219.10287	1.7
223.04475	0.3
226.26657	0.3
231.08109	0.5
235.11308	0.8
237.11215	5.3
245.09622	1.6
246.10490	0.6
247.07547	0.6
252.30400	0.3
261.09219	0.4
262.09943	1.4
263.10687	1.4
273.09039	1.3
274.09845	2.1
275.10562	0.5
277.12247	1.7
290.09512	1.7
291.10202	1.5
293.11786	0.5
295.13306	3.1
305.11758	15.0
306.12534	1.5
307.09668	0.4
322.11954	0.7
323.12799	6.6
337.14331	5.4
355.15405	31.6
356.15607	0.7
373.16467	56.4
374.16785	1.3
594.90314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
53.13601	0.4
55.01875	0.7
57.03424	1.0
57.79031	0.3
61.02918	0.8
65.03934	0.5
69.03434	3.3
70.99835	0.4
71.00168	0.6
71.05003	0.5
73.02912	0.3
74.28413	0.4
81.03402	1.5
85.02911	11.9
87.95712	0.3
91.03940	0.4
91.05475	1.2
92.14799	0.4
94.04189	1.8
97.02900	3.4
99.04423	1.0
99.40833	0.4
107.04986	0.5
109.02856	0.7
115.05490	0.4
117.07011	0.5
121.06510	6.1
122.03638	4.1
127.03912	3.5
128.29044	0.3
131.04904	0.7
136.05215	0.7
137.05984	100.0
138.06316	0.8
145.04967	3.4
145.06487	1.6
146.07274	3.3
147.04401	0.6
147.08020	1.4
148.07596	0.5
149.05988	5.9
151.07556	12.6
161.05975	1.0
162.06760	1.3
163.06039	1.1
163.07425	0.7
165.05466	2.7
165.09024	0.5
174.06709	0.4
174.87172	0.3
175.07573	0.7
177.05493	4.1
177.09123	12.1
179.07069	1.3
187.07475	0.6
188.08289	0.5
189.09087	1.8
191.10672	1.1
201.09189	1.5
203.10500	0.3
205.08661	0.5
217.08638	0.4
219.10152	1.4
219.54295	0.3
231.08101	0.7
235.11269	0.7
237.11218	6.0
239.10704	0.4
245.09712	0.8
246.10408	0.9
248.08484	0.4
261.09000	0.5
262.09967	0.7
263.10684	2.0
264.11401	0.5
273.09152	1.2
274.09891	1.8
275.07278	0.4
275.10620	0.5
277.09534	0.4
277.12195	2.0
286.17877	0.5
289.12274	0.4
290.09329	1.5
291.10110	1.9
295.13226	2.7
305.11740	15.6
306.07904	0.3
306.12405	1.7
307.09641	0.4
322.12155	0.9
323.12808	5.7
337.14322	5.7
355.15417	34.7
356.15729	1.0
373.16467	63.1
374.16913	1.8
448.23346	0.4
552.24268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
53.13601	0.4
55.01875	0.7
57.03424	1.0
57.79031	0.3
61.02918	0.8
65.03934	0.5
69.03434	3.3
70.99835	0.4
71.00168	0.6
71.05003	0.5
73.02912	0.3
74.28413	0.4
81.03402	1.5
85.02911	11.9
87.95712	0.3
91.03940	0.4
91.05475	1.2
92.14799	0.4
94.04189	1.8
97.02900	3.4
99.04423	1.0
99.40833	0.4
107.04986	0.5
109.02856	0.7
115.05490	0.4
117.07011	0.5
121.06510	6.1
122.03638	4.1
127.03912	3.5
128.29044	0.3
131.04904	0.7
136.05215	0.7
137.05984	100.0
138.06316	0.8
145.04967	3.4
145.06487	1.6
146.07274	3.3
147.04401	0.6
147.08020	1.4
148.07596	0.5
149.05988	5.9
151.07556	12.6
161.05975	1.0
162.06760	1.3
163.06039	1.1
163.07425	0.7
165.05466	2.7
165.09024	0.5
174.06709	0.4
174.87172	0.3
175.07573	0.7
177.05493	4.1
177.09123	12.1
179.07069	1.3
187.07475	0.6
188.08289	0.5
189.09087	1.8
191.10672	1.1
201.09189	1.5
203.10500	0.3
205.08661	0.5
217.08638	0.4
219.10152	1.4
219.54295	0.3
231.08101	0.7
235.11269	0.7
237.11218	6.0
239.10704	0.4
245.09712	0.8
246.10408	0.9
248.08484	0.4
261.09000	0.5
262.09967	0.7
263.10684	2.0
264.11401	0.5
273.09152	1.2
274.09891	1.8
275.07278	0.4
275.10620	0.5
277.09534	0.4
277.12195	2.0
286.17877	0.5
289.12274	0.4
290.09329	1.5
291.10110	1.9
295.13226	2.7
305.11740	15.6
306.07904	0.3
306.12405	1.7
307.09641	0.4
322.12155	0.9
323.12808	5.7
337.14322	5.7
355.15417	34.7
356.15729	1.0
373.16467	63.1
374.16913	1.8
448.23346	0.4
552.24268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	20.1
57.03425	11.4
57.07076	3.8
67.05139	3.9
67.05508	68.3
69.03430	4.5
69.07056	16.7
69.07376	3.3
69.35460	32.8
74.09704	3.7
75.71519	3.5
79.05506	35.0
81.07061	66.4
83.05521	4.6
83.08621	8.5
86.09723	8.3
91.05475	27.5
93.07043	36.5
95.08616	41.2
97.06575	5.0
98.20814	9.1
99.08083	5.2
105.07035	23.9
107.08592	20.0
109.10159	44.0
109.87880	3.7
110.52608	3.5
115.75694	3.3
117.07001	6.5
119.08591	26.9
121.10156	22.0
123.11688	4.7
125.00018	5.3
131.08575	16.9
133.10117	13.5
135.11690	13.1
143.08598	5.7
145.10060	8.9
147.11687	15.1
149.13264	7.7
159.11720	13.8
161.13268	5.9
165.12799	5.5
171.11679	5.3
173.11810	9.3
173.13214	7.7
181.16243	4.5
184.07414	22.0
224.70349	4.2
229.14349	92.4
237.18448	4.2
239.16359	15.0
243.21269	6.6
259.20688	5.7
261.22083	22.6
317.24713	4.6
335.25833	100.0
340.45914	4.3
361.29269	4.6
365.97742	4.1
425.33856	11.1
489.28873	6.8
489.35709	67.4
499.37952	21.7
507.36728	5.8
510.21680	3.8
517.39087	53.8
575.21002	4.6
714.47150	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	714.5517
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
51.02358	0.3
51.33513	0.3
53.03936	1.3
55.01859	0.3
55.05273	0.4
55.05511	5.6
56.05051	2.8
57.07080	3.1
58.06582	0.4
60.04526	2.4
65.03915	0.6
66.81686	0.3
67.05508	11.4
68.05021	1.1
69.03416	0.9
69.06728	0.5
69.07074	6.7
70.06578	1.4
70.91816	0.3
71.08644	2.0
71.12198	0.6
79.05495	9.5
80.05017	2.5
81.03448	0.7
81.05796	0.8
81.07061	8.4
82.06586	5.6
83.08621	4.1
84.08192	0.3
85.02930	2.0
85.10181	1.1
91.05490	7.6
93.05778	0.8
93.06486	0.6
93.07046	8.5
94.06572	17.4
95.04971	1.0
95.07353	7.7
95.08614	7.5
96.08138	4.5
97.02923	0.8
97.10172	2.4
100.07609	0.4
104.27994	0.3
105.06399	0.5
105.07041	6.4
107.07395	0.4
107.08602	4.9
108.08123	2.8
109.10159	3.2
111.11685	0.5
117.06963	0.5
119.08589	4.9
120.08102	0.3
121.08849	0.7
121.09271	0.4
121.10151	5.6
122.09657	2.9
123.11698	1.1
133.10123	2.7
135.10463	0.7
135.11679	2.7
136.11215	0.8
137.13263	0.4
145.05000	0.5
147.11693	1.4
149.13275	0.9
161.13336	0.9
219.10767	0.4
219.21101	0.5
233.22688	3.5
234.22247	0.3
245.22672	4.7
250.25311	8.3
254.24754	0.8
262.25311	100.0
263.25677	1.2
272.25882	5.3
274.77960	0.3
280.26346	6.2
288.23053	0.4
310.27652	0.4
312.25494	0.5
386.15369	0.4
442.31342	0.5
504.47809	5.7
516.47803	32.5
517.47986	1.5
518.49414	5.6
534.48883	22.6
535.48883	0.9
696.42804	0.5
696.54102	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	715.2751
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
53.03962	0.8
63.61391	0.8
65.03939	1.1
69.03415	0.9
69.07072	1.4
70.15992	3.0
79.05494	1.6
81.03403	1.9
81.07056	3.6
83.04980	1.2
85.02905	1.4
91.05491	2.7
91.72318	0.7
93.07032	1.8
94.04178	3.7
95.08592	2.4
97.06539	0.7
103.05473	4.5
105.07018	2.3
107.04974	1.3
107.08578	1.8
109.06506	1.4
109.10165	1.4
115.05462	2.1
117.07015	1.7
119.08592	1.0
121.10099	1.1
122.03659	8.2
123.11707	1.0
127.03887	0.9
128.06195	1.7
129.07022	2.8
131.04950	9.2
131.08513	1.2
133.10149	1.1
135.04462	1.1
137.05992	100.0
138.06320	1.0
143.04936	1.0
144.05699	1.7
145.06467	1.7
147.04395	0.9
148.96173	0.9
149.06000	1.6
151.03998	1.3
151.07582	3.9
157.06477	3.3
160.05205	3.0
161.05952	1.6
163.03923	1.3
163.07547	5.3
165.05447	1.8
173.13248	0.8
174.06711	2.0
175.07561	19.5
177.05536	1.2
183.07985	1.1
187.07547	10.0
188.08327	0.9
189.09129	3.8
191.06998	1.5
194.07292	0.9
196.05208	1.3
201.08925	0.9
203.07173	0.9
205.08620	3.6
211.07570	2.8
215.06787	1.0
217.08652	2.8
219.08124	1.0
221.06003	1.0
227.07057	1.3
235.09660	1.8
239.06984	5.5
241.08717	4.8
247.07553	1.7
248.08327	1.1
249.09076	1.4
251.07097	1.0
253.08678	1.8
255.10158	1.1
261.09027	0.8
263.11005	0.8
264.07849	1.1
265.08722	5.5
269.08231	1.1
270.08963	0.9
271.09695	10.3
273.11172	2.7
277.08539	2.3
278.09277	1.2
279.10193	2.6
283.09729	1.2
285.11121	1.0
289.08798	1.4
291.10077	2.2
293.08136	1.1
295.09772	1.4
297.11200	3.3
307.09787	2.2
309.11310	1.9
321.11191	2.8
323.13150	1.0
329.08261	0.9
339.12421	1.4
347.25507	1.2
365.11850	0.9
373.11002	1.1
393.11533	1.1
410.11285	1.0
413.13647	1.1
413.30496	2.4
425.13846	2.6
431.31512	4.2
443.14731	1.5
457.16245	3.1
461.15985	1.4
470.72214	0.9
475.17618	7.7
487.17340	0.9
491.17026	4.7
493.18445	6.6
495.18121	0.8
505.18500	1.0
513.18829	1.0
519.20087	1.3
543.19934	2.3
561.21332	6.4
579.22168	2.7
591.20789	1.0
611.19110	1.1
626.21698	6.2
627.22034	2.2
629.21783	1.1
647.22498	3.0
649.24036	1.4
661.23840	2.9
665.23749	1.1
667.25073	1.4
679.25470	13.6
697.26538	19.2
702.07391	1.1
715.26587	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	715.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
58.92887	0.5
61.28618	0.6
65.03963	0.5
65.73698	0.5
67.05505	0.6
69.03401	0.8
70.58205	0.5
71.03262	1.3
71.04973	0.6
72.68169	0.5
78.04736	0.6
79.05492	1.6
81.03442	3.3
81.07071	1.3
83.04984	0.6
85.02917	1.1
91.05483	2.6
93.03399	0.7
93.07023	0.8
94.04204	3.7
95.04964	1.5
95.08625	0.9
97.06530	0.5
100.98344	0.6
103.05450	2.6
105.07059	1.0
106.12797	0.5
107.04966	1.8
107.08610	0.7
109.06555	1.3
111.04410	1.0
115.05437	4.7
117.07027	3.3
119.04985	0.9
121.06512	1.4
122.03655	8.3
123.04488	1.3
125.06039	0.7
128.06247	2.5
129.07022	7.6
131.04916	4.7
131.08536	0.8
133.06519	0.8
135.04446	1.1
137.05991	100.0
138.06332	1.8
143.04947	4.6
144.05717	2.5
145.06500	3.2
146.03677	0.6
146.07285	0.7
147.04427	0.9
147.08034	0.9
149.06001	1.8
151.03923	4.4
151.07524	3.0
153.05473	2.8
155.06071	0.8
157.06499	5.6
158.07289	1.6
159.04486	1.2
159.08043	1.6
160.05222	9.1
161.06021	4.9
161.09627	0.6
161.11755	0.5
162.06815	0.8
163.03922	2.4
163.07530	2.7
165.05486	1.7
165.06845	0.7
167.07034	0.7
171.04445	0.7
171.08070	1.5
172.05205	2.6
172.08852	0.8
173.05988	2.8
173.09558	0.8
174.06778	3.2
175.07570	34.0
177.05455	4.5
177.09171	1.3
181.05005	1.3
181.06459	0.7
185.06010	1.3
187.07561	16.2
188.08260	0.7
189.05482	2.2
189.09131	8.2
191.07089	1.5
193.06535	0.8
198.06789	0.7
199.07651	1.5
201.09222	1.4
203.07040	1.4
203.08710	1.0
205.08594	5.6
206.07364	0.7
207.08020	0.9
210.06758	1.0
211.07614	3.6
213.05580	0.7
215.06958	1.2
217.06604	1.2
217.08658	3.7
218.07329	1.5
219.08107	1.6
221.09589	1.4
222.06847	0.6
223.07480	0.9
224.08331	0.9
225.09074	0.7
226.06288	1.2
227.07013	2.3
231.08095	1.3
232.08807	0.8
233.09723	1.2
234.06795	1.8
235.07552	1.2
235.09662	2.1
237.09132	1.2
239.07014	4.5
240.07755	0.7
241.08626	3.5
245.09814	0.6
247.07590	2.5
248.08395	1.5
249.09186	4.1
250.06200	0.8
251.07040	1.2
251.10735	1.4
253.08685	0.8
254.09413	8.0
255.06552	2.3
255.09717	0.6
256.07181	0.7
257.08093	0.8
259.07498	1.0
260.08334	1.1
261.09076	3.1
262.06210	0.8
262.09869	1.3
263.07034	2.5
263.10742	1.2
264.07791	2.0
265.08493	3.0
267.10199	1.3
269.08078	5.2
270.08893	6.2
271.09689	1.7
273.09244	0.8
274.09897	0.8
275.07114	1.1
275.10645	1.7
276.07874	1.7
277.08667	5.8
277.11496	0.9
278.09457	1.8
279.06921	0.9
279.10162	3.6
281.08282	0.7
281.11862	1.5
283.09732	0.8
285.07428	3.6
289.08661	1.3
290.09457	0.8
291.06949	0.7
291.10013	3.3
292.07385	1.4
292.10760	0.9
293.08157	1.9
293.11713	1.9
294.09198	1.2
294.12549	3.0
295.09735	1.5
295.13092	0.9
297.11182	2.1
305.08307	0.7
305.11777	1.6
306.09213	1.0
306.12558	4.2
307.09723	3.8
308.10611	0.8
309.11292	5.0
310.11890	1.3
311.13004	0.8
319.09927	0.7
321.11295	3.5
322.12054	3.0
323.12891	1.2
324.13721	0.9
325.10730	2.2
327.12424	0.9
337.10751	2.4
339.12460	3.3
340.13153	2.0
345.11185	0.9
355.11600	0.8
357.13330	2.0
367.09738	0.6
389.14258	0.9
431.14490	0.6
442.14255	1.1
443.14920	1.7
445.16235	1.1
457.16602	1.1
461.15692	0.6
473.16046	0.8
475.17551	2.3
479.15341	0.6
491.17227	1.4
493.18063	0.9
495.18045	1.4
513.19128	1.0
525.19019	2.5
531.20380	2.7
538.16266	0.9
543.20142	3.6
555.20306	2.1
561.21674	1.1
573.21161	1.8
578.19489	1.0
579.21576	0.9
590.19604	0.8
591.21381	1.2
608.20148	2.6
609.21118	0.9
626.21442	2.7
627.22552	0.9
631.23364	1.0
649.24323	3.5
661.24200	1.6
667.25726	1.4
679.25806	5.0
697.26318	6.2
715.26910	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	716.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01879	1.2
62.06102	0.6
65.03925	0.6
66.04711	0.7
67.05489	0.6
69.03426	1.5
69.42117	2.3
69.42528	0.8
74.87119	0.4
79.05497	1.3
81.03436	2.4
81.07053	1.4
85.02918	2.7
86.03214	0.4
91.05499	4.7
93.03421	0.5
94.04192	1.7
95.04977	1.2
95.08613	0.7
97.02920	1.4
98.32536	0.4
103.05470	1.7
104.47192	0.5
105.07025	1.1
107.04951	0.8
109.02892	0.8
109.06566	1.3
109.10153	0.6
111.04449	0.7
115.05460	1.9
117.07021	0.8
119.04961	3.5
121.06521	0.9
122.03671	6.3
122.06009	0.8
123.04424	0.6
123.08089	0.6
125.05987	1.1
127.03888	1.2
128.06284	0.6
129.06999	2.3
131.04944	4.5
133.06456	0.7
135.04369	0.6
136.07588	3.5
137.05992	100.0
138.06339	1.8
143.04929	2.7
144.05725	0.7
145.02899	0.5
145.05084	0.5
145.06458	1.4
146.03615	0.5
147.04449	0.9
149.06013	3.5
151.03925	1.9
151.07565	15.3
153.05505	1.6
157.06519	2.8
159.08078	0.8
160.05197	3.9
161.05994	5.5
162.06546	0.6
163.03990	1.0
163.07591	5.4
164.07088	2.5
165.05525	0.8
165.07030	0.8
165.09187	0.5
167.04921	0.6
167.07208	0.9
167.08546	0.9
173.06087	0.7
174.06772	1.8
175.07561	26.6
175.97647	0.5
176.07886	0.7
177.05432	2.1
177.09177	1.2
179.07118	0.8
181.06422	1.0
182.08194	1.1
184.05173	0.5
185.06053	0.5
185.09373	0.5
187.07571	11.5
189.09097	2.9
193.06534	1.1
193.08649	0.5
195.08080	1.6
199.07570	14.2
201.09181	0.7
203.08607	2.0
203.10460	0.4
205.06769	0.9
205.08626	7.8
210.06941	1.1
211.07565	2.0
212.08170	0.5
213.09189	1.2
217.08665	1.8
219.08211	0.5
221.06078	1.8
223.07597	0.6
224.08548	0.5
225.09151	1.4
227.08627	0.5
227.10748	1.3
229.08618	1.5
231.08141	1.8
233.07982	0.7
234.06544	0.5
235.07484	0.9
235.09666	6.4
237.09146	0.7
238.06329	0.8
239.07037	0.7
241.08627	1.1
243.08177	0.8
245.09709	0.7
247.07559	0.9
248.08186	0.8
249.09045	0.5
251.10713	1.3
252.07841	0.6
253.08681	3.2
255.10225	0.8
259.09726	1.9
261.09189	0.6
263.10745	3.0
264.08151	0.5
265.08646	1.6
267.10178	1.5
273.08899	0.7
275.10660	1.2
276.07721	0.8
277.08698	1.7
277.12283	0.7
279.10089	1.5
283.09650	1.3
285.11301	6.3
287.10135	0.7
287.13245	2.1
289.08630	0.9
291.10178	6.6
292.10934	0.6
293.08109	0.5
293.11719	0.6
295.09579	0.7
297.11316	3.1
302.09436	0.7
303.10147	2.3
304.10608	0.7
305.08551	0.6
305.11847	1.6
306.08905	0.7
307.09680	1.2
308.11212	1.8
309.11200	1.8
311.12842	1.1
315.10178	1.7
319.09494	0.5
320.10556	0.9
321.11267	2.7
322.11966	0.6
323.12817	7.4
325.14136	0.6
326.12350	0.8
332.10477	0.5
333.11224	2.1
335.08875	0.4
335.12811	7.8
337.14505	2.1
347.12921	2.9
351.12497	1.1
352.13089	0.5
353.14041	2.6
355.15607	2.3
365.13858	5.0
369.13510	0.8
371.14850	0.9
377.13611	0.5
381.21683	0.5
383.14920	11.4
395.14960	0.9
411.16086	0.5
418.14203	2.0
447.18127	1.1
457.16525	0.5
459.18063	7.3
461.19467	0.5
471.18225	2.9
483.18106	0.8
489.19098	11.9
501.19040	1.8
507.20206	27.6
508.20215	0.8
519.20233	4.4
520.20605	0.5
578.63287	0.5
680.27106	0.6
716.21954	0.6
743.65350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3981
Annotation	Exumolide B
Peak:m/z	Relative Intensity
55.05516	0.3
55.58207	0.1
56.05037	1.4
58.06592	1.4
59.07364	0.2
60.08167	13.9
67.05521	0.2
69.03434	0.2
69.07034	0.2
69.56074	1.1
71.04998	0.2
71.07376	4.5
71.63375	0.1
76.02248	0.2
79.05475	0.2
80.08903	0.2
81.03423	0.5
81.07071	0.5
83.11949	0.1
85.02912	0.3
86.09709	30.9
87.00837	0.2
91.05477	0.4
94.04208	0.2
95.08609	0.5
97.02872	0.3
98.98474	4.1
103.05473	0.3
104.10747	100.0
105.07020	0.2
105.11078	0.4
109.10130	0.3
112.54449	0.2
122.03644	0.4
125.00008	21.2
127.03918	0.2
129.07048	0.3
131.04944	0.4
137.05986	5.4
138.06325	1.5
143.04901	0.2
145.06490	0.2
147.08101	0.3
151.04010	0.2
153.05450	0.2
153.72237	0.2
157.06535	0.3
158.06956	0.2
160.05081	0.3
161.05931	0.2
163.03952	0.2
163.07477	0.2
165.05536	0.2
175.07527	1.3
176.07863	0.5
177.05530	0.3
178.06029	0.2
184.07347	32.4
187.07547	0.5
189.09094	0.3
219.08014	0.2
271.09399	0.2
272.09988	0.2
278.09094	0.3
325.10748	0.2
436.81693	0.2
468.34503	6.5
469.35144	0.2
473.46631	0.2
609.20636	0.2
627.22485	0.2
630.39935	2.6
672.40808	2.8
680.25610	0.3
682.05804	0.2
698.26801	0.7
698.39014	0.6
716.39807	22.7
717.39551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72453	0.9
53.03954	2.1
55.01868	2.5
55.05515	17.8
57.03444	9.1
57.07083	5.9
61.02932	1.3
67.05506	20.5
67.58033	0.9
69.03444	1.1
69.07074	24.3
71.04981	2.3
71.08633	4.2
73.02920	1.5
76.26342	0.9
79.05495	20.0
81.03408	2.6
81.07061	29.2
81.07533	1.9
83.05000	2.9
83.08156	1.5
83.08624	19.9
85.06545	1.2
85.10178	2.3
91.05481	5.6
93.06485	2.0
93.07052	31.6
95.04963	4.8
95.08613	39.3
97.02902	3.1
97.06531	4.0
97.10178	8.1
98.20760	3.5
99.04456	2.8
99.79317	0.9
103.05466	1.3
105.07066	5.3
107.04974	6.9
107.08604	25.4
109.06499	1.1
109.10157	7.5
111.04430	1.9
111.08105	2.2
111.11749	2.4
117.07008	5.7
119.08584	8.8
121.06526	4.3
121.10154	20.4
123.11705	2.7
125.06006	2.5
130.07785	1.1
131.18669	0.9
133.10184	2.4
135.08060	2.3
135.11702	44.1
135.12740	2.2
139.07552	1.9
139.11198	1.4
143.08591	1.0
145.10135	19.3
149.13263	1.9
162.07733	1.3
163.11188	52.2
163.14836	1.3
181.10886	1.5
181.12222	7.3
184.07365	2.2
204.38405	1.0
209.11659	2.3
215.88670	1.1
219.21068	2.2
227.12791	53.4
237.22061	1.3
278.21512	1.0
283.15417	94.3
311.25818	92.9
312.26038	2.0
501.09369	1.0
519.36865	100.0
520.37482	2.5
530.21118	1.2
536.50470	2.0
624.85706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
53.32090	0.8
55.01872	4.5
55.05273	1.4
55.05516	20.7
57.03443	15.7
57.07079	5.5
59.05007	2.0
59.99714	0.8
61.02929	6.0
67.05514	24.6
69.03416	2.8
69.06734	1.3
69.07076	18.7
69.25852	5.6
69.26261	1.3
71.04993	3.8
71.08618	3.1
73.02909	1.6
77.85648	0.8
79.05079	1.3
79.05500	17.9
81.03426	6.6
81.07063	27.5
83.01340	5.6
83.04989	7.1
83.08633	20.7
85.02905	8.4
85.10190	1.3
91.03963	3.2
91.05491	9.6
93.06487	1.6
93.07050	24.7
95.04996	3.9
95.08617	16.9
97.02897	3.3
97.06529	4.4
97.10177	10.4
99.04444	1.7
101.41729	0.9
105.07033	7.1
107.04943	3.3
107.08605	15.5
109.06532	4.3
109.10150	5.7
111.04451	1.2
111.08095	3.1
111.11694	2.0
117.07014	5.7
119.08573	6.5
121.06486	2.3
121.10154	12.5
123.08071	5.2
123.11701	2.3
125.06014	1.5
125.09710	4.0
127.03943	1.0
131.08604	2.1
133.10153	2.8
135.08078	1.5
135.11714	13.9
137.09630	1.3
137.13231	1.6
143.08606	0.9
145.06517	0.9
145.10129	11.2
147.08060	1.0
149.09595	0.9
149.13280	2.9
149.33777	0.7
153.12743	2.5
155.08582	1.4
163.11186	15.6
173.09631	1.9
177.11171	0.8
181.12186	1.9
189.11147	1.3
191.10596	0.9
209.11688	5.7
210.65121	0.8
219.21088	1.4
227.12816	2.8
237.22177	1.5
259.15509	4.0
283.15424	100.0
284.15771	1.5
311.25830	75.5
312.26389	1.0
335.25925	4.8
419.14133	0.9
519.36884	49.1
520.36487	1.1
716.39789	1.8
717.41956	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	716.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.05512	10.2
56.05037	3.9
57.07088	4.0
60.04227	1.1
60.04531	22.3
67.05509	15.2
69.03410	0.6
69.06736	1.0
69.07072	12.9
70.06590	2.2
70.63548	1.2
70.63895	0.7
71.08623	3.1
73.98393	0.6
79.05499	14.4
81.07059	14.6
82.06590	1.5
83.05011	0.9
83.08628	8.5
84.08185	0.6
85.10177	0.7
86.06081	1.0
89.06046	0.9
91.05488	2.3
93.06487	1.0
93.07047	14.0
95.04984	0.7
95.08612	14.6
96.08125	2.8
97.06538	1.1
97.10181	5.6
98.20878	0.6
100.07619	1.8
107.08606	8.5
109.10177	5.9
111.08080	0.8
111.11748	1.2
114.09170	1.0
121.10149	12.5
123.11721	1.6
124.11269	0.6
125.13243	0.8
135.11702	5.4
137.13264	0.9
140.70126	0.5
149.13263	1.5
163.14891	0.6
175.08562	0.6
247.24327	1.9
252.26923	1.3
254.24980	1.0
262.25290	0.6
264.26877	11.0
265.24942	0.6
272.25906	5.4
282.27933	15.7
300.29062	1.4
488.48386	0.7
500.48602	0.7
518.49225	5.4
536.50421	100.0
537.50720	2.7
554.51447	39.6
555.51721	1.6
575.50372	0.7
698.55200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92276	0.3
61.13458	0.3
62.31960	0.3
65.03894	0.3
66.04707	0.4
69.36090	1.2
69.36517	1.1
79.05489	0.6
80.83177	0.3
85.02944	0.4
91.05472	1.1
94.04189	1.9
95.08551	0.3
97.02840	0.3
102.17869	0.3
103.05476	4.7
107.04941	1.1
109.06516	0.5
109.10135	0.4
115.31456	0.3
119.04946	0.7
121.06533	0.7
122.03655	5.2
127.03925	0.3
129.07056	0.5
131.04935	10.4
135.04388	0.5
135.08075	0.4
137.05978	100.0
138.06323	0.8
145.06488	0.7
147.04420	0.9
149.05972	2.0
151.03908	0.8
151.07568	1.3
157.06584	0.5
163.03920	1.5
163.07536	5.3
165.05490	1.1
175.07561	1.5
177.05507	1.3
177.09061	0.6
178.06384	0.4
179.07043	0.8
189.09111	1.1
191.07007	0.7
201.09167	0.3
202.07828	0.5
203.06944	0.4
203.08609	1.2
205.08511	0.7
217.08488	0.5
223.07727	0.4
223.09654	1.9
231.08057	2.5
232.08809	0.8
237.09111	0.3
247.07538	0.5
248.08394	0.8
259.07599	1.4
260.08313	0.7
262.09744	0.4
263.10678	2.5
264.30795	0.3
276.07840	0.8
281.11658	0.5
291.10123	6.1
291.13055	0.4
305.11664	2.4
308.10556	0.4
309.11349	0.9
323.12778	7.4
341.13818	25.8
342.14270	0.9
359.14871	7.9
359.19312	0.4
374.72104	0.3
669.26050	0.4
684.09479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.9
70.41403	0.7
79.05475	0.9
81.01619	0.5
81.03406	1.5
81.07058	2.1
91.05496	1.5
93.03412	1.3
93.07078	0.7
94.04180	1.7
95.08618	0.6
102.93378	0.5
103.05463	2.5
105.07052	0.9
107.04987	0.8
109.06524	2.0
111.04417	0.8
111.59060	0.6
115.05453	7.6
117.07025	2.2
117.76184	0.5
119.04971	0.5
122.03663	3.7
123.04424	0.6
123.10918	0.6
125.05977	1.0
128.06235	1.4
129.07010	4.4
131.04929	3.6
135.08124	0.8
137.05981	75.0
138.06316	1.0
143.04929	9.6
144.05710	2.3
145.06508	1.8
146.03670	0.8
147.04396	0.8
147.08096	0.7
149.05984	0.6
151.03949	0.9
151.07533	1.4
153.05473	2.1
157.06517	3.6
160.05212	15.5
160.06555	0.9
161.05992	2.6
163.03854	0.6
163.07552	2.8
166.07199	0.6
172.05168	2.6
173.06050	0.9
174.06761	1.8
175.07550	100.0
176.07961	1.5
177.09111	0.6
181.04987	0.6
185.06123	0.6
187.07550	34.7
188.08189	0.7
189.09128	7.1
191.08574	0.8
203.08617	1.3
205.08607	17.9
211.07550	1.5
217.08612	2.9
219.08038	1.2
227.07082	0.9
231.08115	1.8
235.09653	13.4
239.06995	0.9
247.07526	0.9
248.08328	1.4
251.10678	0.9
255.06552	0.9
259.07571	0.8
263.10699	2.3
265.08569	1.1
270.08835	1.1
271.09741	2.9
276.07806	1.0
279.10104	1.5
283.09729	0.9
291.10141	6.7
297.11020	0.6
308.10382	0.6
311.12723	1.7
323.12839	5.0
341.13940	5.0
433.33047	0.8
508.20181	0.7
717.34967	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05517	1.6
57.03436	2.3
57.07082	0.4
60.08458	0.3
61.02933	5.0
67.05508	5.1
69.03439	3.2
69.07076	2.2
70.23206	1.2
71.01360	0.3
71.04998	1.1
73.02921	3.4
79.05502	3.9
81.03441	1.9
81.07069	4.8
83.05012	0.6
83.08630	0.9
85.02914	5.2
87.04489	0.4
91.03960	3.1
91.05491	2.0
93.07054	4.8
95.05004	0.7
95.08615	3.7
97.02901	4.4
97.06545	0.8
97.10203	0.7
99.04474	1.4
99.08134	0.4
101.02394	1.6
105.07023	1.6
107.08607	2.5
109.02907	0.8
109.06551	0.4
109.10166	1.5
115.03918	0.6
117.07009	0.6
118.97728	0.3
119.08610	1.2
121.10175	2.1
123.11703	0.3
125.09641	0.3
127.03954	1.3
131.08545	0.5
133.10190	0.7
133.19241	0.3
135.11723	2.8
145.05037	0.4
145.10176	0.8
147.11693	0.4
152.52203	0.3
153.12735	0.3
161.13242	0.3
163.11186	0.5
185.04288	0.4
186.37639	0.3
187.14867	0.4
200.73740	0.3
216.45114	0.3
221.11563	0.9
243.08415	2.0
277.14490	0.4
283.15430	1.9
284.15912	0.8
311.25937	1.0
312.26224	1.1
335.25824	0.5
410.20572	0.3
439.19479	4.6
452.39951	0.3
519.29401	6.0
519.36523	0.5
520.37415	2.1
704.78656	0.4
717.41888	100.0
718.42230	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	718.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.3
51.02383	0.5
53.03946	2.6
55.01870	0.8
55.05510	2.7
57.03440	4.4
57.07061	0.4
59.04990	0.5
61.02933	0.4
65.03941	0.7
67.05508	2.1
69.03430	9.8
69.07050	0.5
70.82395	0.4
71.05009	1.0
73.02910	0.6
75.04485	7.1
77.03912	1.2
79.05495	18.2
80.05859	0.2
80.06292	0.3
81.02938	0.5
81.03420	10.2
81.07063	5.7
83.04986	1.3
85.02908	5.8
87.04477	1.4
91.05483	17.0
93.07045	100.0
94.04191	0.4
94.07385	0.9
95.04972	4.3
95.08612	3.6
97.02891	6.0
97.06546	1.0
99.04470	1.5
102.04742	0.2
103.04014	0.2
103.05486	1.2
105.04521	1.7
105.07035	10.4
106.07820	0.6
107.04992	1.1
107.08597	12.8
108.04495	0.6
109.02879	4.4
109.06512	1.0
109.10132	0.6
111.04456	1.2
111.08080	6.0
113.05938	0.3
115.05484	0.6
116.06220	1.2
117.07026	0.8
119.08581	9.0
120.05708	0.2
121.06538	3.6
121.10146	95.9
122.03661	0.9
122.10473	1.0
123.08081	1.7
123.11716	1.3
125.05978	0.9
127.03919	3.6
129.05495	0.5
129.07004	1.1
131.04916	0.3
131.08575	7.8
133.06581	0.5
133.07616	1.2
133.10121	1.0
135.04381	0.3
135.08057	0.4
136.05260	0.5
137.05980	25.3
139.03880	0.2
139.11180	3.8
143.08574	0.5
145.04942	1.5
145.06505	0.6
145.10130	0.8
146.07269	0.9
147.04404	0.2
147.08080	0.9
147.11668	0.2
149.06027	1.6
149.09622	28.6
149.26541	0.2
150.10060	0.3
151.07544	9.4
155.08595	0.2
157.06538	0.3
157.10152	0.4
159.07974	0.5
161.05965	0.6
161.09627	0.5
162.06688	0.3
163.03928	0.3
163.11203	0.4
165.05481	0.5
165.09134	0.8
167.10680	23.8
168.11012	0.3
169.10150	0.2
173.05859	0.3
173.09573	0.4
174.06789	0.3
175.07529	0.6
175.11205	0.5
177.05481	1.1
177.09109	3.7
179.07022	0.8
185.09731	0.2
187.07584	0.4
187.11177	0.5
188.08337	0.4
189.09122	1.5
191.07079	0.3
191.10698	1.3
201.09135	0.8
203.07191	0.3
203.10674	0.5
205.08559	0.3
215.10658	0.2
217.08594	0.3
219.10219	0.9
229.12285	1.0
233.11623	0.2
237.11234	1.5
245.11913	0.2
247.09647	0.3
247.13406	0.5
257.11755	0.5
257.15381	0.8
259.07199	0.2
261.11432	0.2
263.10660	0.5
265.14288	0.6
267.13690	0.4
274.09842	0.6
275.12918	1.1
277.12292	0.5
283.15436	1.3
285.14832	0.6
290.09283	0.6
291.10172	0.3
293.13824	6.5
295.13321	0.6
305.11743	3.5
306.12372	0.2
307.09589	0.2
311.14896	19.4
312.15152	0.3
323.12863	1.4
329.15906	1.8
337.14441	1.2
355.11337	0.4
355.15408	6.2
373.16446	6.9
379.14993	0.3
385.16577	0.6
397.16443	0.5
415.17148	0.3
417.33597	0.3
425.19739	0.5
435.34561	0.5
439.17758	0.2
465.22479	0.7
481.18295	0.4
493.25955	0.8
502.34918	0.2
503.24121	0.4
521.25262	2.0
665.28717	0.3
704.27380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
54.00763	0.8
55.01868	1.7
55.05508	8.2
57.03443	8.1
57.06794	1.3
57.07079	24.7
61.02929	1.5
67.05176	1.4
67.05508	14.1
69.03436	1.3
69.07067	7.7
69.73950	1.7
69.74355	3.4
71.05000	1.7
71.08635	19.7
79.05500	11.5
81.03425	1.5
81.07059	18.0
83.04978	1.9
83.08626	12.7
85.06528	0.9
85.10184	10.6
89.06042	2.8
91.05488	3.3
93.07052	20.6
95.04977	4.4
95.08615	33.4
97.02908	3.8
97.06521	2.0
97.10182	4.6
99.04459	2.2
105.07036	4.2
107.04963	5.6
107.08600	17.0
109.06520	1.5
109.10169	6.7
111.04472	1.2
117.07027	5.2
119.08587	8.6
121.06513	3.1
121.10153	9.2
123.11720	1.9
125.06011	2.3
133.10170	1.5
135.08089	1.6
135.11700	36.5
135.12737	1.8
137.13240	1.1
139.07527	1.7
145.10139	20.2
153.12756	1.4
163.11186	49.2
181.12227	8.3
185.45108	0.9
209.11916	1.4
227.12794	56.2
228.13219	1.2
239.23645	1.1
257.24829	1.9
267.19928	0.8
283.15417	94.9
313.27386	98.8
314.27808	2.9
384.11148	1.0
521.38416	100.0
522.38568	3.4
718.49146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.01871	4.3
55.05512	8.5
57.03440	9.4
57.07080	17.9
59.04966	1.9
59.25660	0.5
61.02934	2.9
61.03170	0.7
64.29008	0.5
67.05511	10.5
69.03418	1.6
69.07072	5.6
69.25916	2.5
69.26340	2.2
71.01353	0.5
71.04965	2.0
71.08640	13.9
73.02888	0.9
73.06519	0.5
76.58395	0.5
79.05502	8.9
81.02982	0.6
81.03412	6.1
81.07059	14.9
83.01343	5.7
83.04991	6.6
83.08169	0.7
83.08620	10.3
85.02914	5.8
85.06497	0.5
85.09736	0.8
85.10182	9.0
89.05998	1.4
91.03961	1.2
91.05489	6.3
91.57450	0.5
93.07053	12.0
93.27102	0.5
95.04981	3.0
95.08614	12.4
97.02895	3.6
97.06541	2.9
97.10145	2.1
99.04424	1.5
99.08102	1.0
99.11759	0.7
103.07560	0.9
105.07040	4.2
107.04974	4.4
107.08604	7.1
109.06537	4.5
109.10174	5.2
111.04420	1.4
111.08074	1.0
111.11713	0.6
117.07008	3.5
119.08577	4.4
121.06493	2.1
121.10150	4.7
123.08067	4.2
123.11703	1.5
125.05984	0.6
125.09624	0.7
127.03914	0.8
129.07005	0.8
130.07809	0.7
131.08530	1.9
133.10098	1.3
135.08015	0.9
135.10890	0.5
135.11702	6.8
137.09596	0.6
137.13243	1.3
139.07610	0.7
145.10132	9.2
147.08008	1.5
153.12711	1.8
153.53783	0.5
155.08496	0.9
163.11189	17.1
173.09621	1.6
181.12212	2.5
191.10675	1.4
209.11720	4.5
224.59393	0.6
227.12910	2.6
239.23764	1.6
257.24680	1.8
274.36807	0.6
283.15414	100.0
284.15762	1.3
313.27386	74.2
314.27777	1.6
457.04224	0.6
521.38416	47.8
522.38416	1.4
529.65009	0.6
674.99982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.01871	1.8
55.05517	22.1
57.03442	14.4
57.07084	5.6
61.02925	2.8
65.03967	1.3
67.05511	26.4
69.03429	4.2
69.07076	24.7
69.07389	0.4
69.07464	0.7
69.22898	6.8
69.27324	0.7
71.05007	3.8
71.08635	3.1
73.02947	1.4
79.05497	20.7
81.03426	40.0
81.07063	33.9
83.04505	1.1
83.04987	11.8
83.08625	29.0
85.02435	1.4
85.02917	16.7
85.06548	2.7
85.10216	1.0
91.03973	1.5
91.04910	1.0
91.05486	20.9
91.06028	1.4
93.06485	1.3
93.07056	17.2
93.18786	0.7
95.04979	15.4
95.08615	19.7
97.02896	3.6
97.06556	4.9
97.10175	12.0
98.10294	0.6
98.20807	1.5
99.08107	1.0
105.07042	15.0
107.04968	4.4
107.08600	9.9
107.09233	1.1
109.06538	3.1
109.10159	6.1
110.11207	0.6
111.04440	1.7
111.08092	8.7
111.11736	2.2
113.06040	1.8
115.05463	1.2
117.07024	0.8
119.08589	12.4
121.06574	0.9
121.10155	14.4
123.08133	2.0
123.11733	3.2
123.40108	0.7
125.09645	1.4
129.07014	5.9
131.08568	6.7
133.06528	2.0
133.10165	7.6
135.11717	6.9
137.09627	1.1
137.13257	2.4
139.11308	0.9
139.47827	0.7
142.07809	1.7
145.10168	1.2
146.53796	0.7
147.08067	2.3
147.11700	11.6
149.09631	3.4
149.13309	2.2
157.10147	9.7
159.08125	0.7
165.12799	1.2
169.46544	0.7
175.11195	10.0
193.12265	29.7
211.13306	51.9
212.13481	0.7
219.21123	2.0
237.22250	1.9
267.15936	15.3
285.16986	67.4
286.17340	0.8
311.25824	66.7
312.26099	2.1
371.71921	0.8
503.37350	14.2
521.38446	100.0
522.38916	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	719.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56425	0.5
56.96566	3.6
58.99857	1.0
59.82349	0.5
61.02920	2.1
65.27746	0.5
66.68037	0.6
69.03429	3.1
69.57963	3.3
73.02927	1.3
73.60844	0.6
77.00909	2.6
79.05487	6.9
79.05906	0.6
81.03400	1.4
81.07037	1.1
82.99869	0.7
84.96043	1.1
85.02903	8.3
86.99325	0.7
91.03971	0.7
91.05465	1.4
95.01966	1.7
95.08615	3.4
97.01424	0.8
97.02905	3.5
98.21469	1.1
98.97585	12.5
99.04443	0.7
101.00881	13.3
101.02404	0.5
103.02460	1.1
105.00381	1.7
105.07005	1.3
107.04933	0.6
107.08582	7.6
109.02871	0.6
109.06516	1.5
109.53372	0.5
110.97577	2.2
112.99142	0.9
113.00880	2.0
115.02442	2.4
116.98621	3.8
117.03349	0.5
119.01922	28.1
119.04979	1.4
124.99096	0.5
125.09588	0.6
127.02406	1.2
127.03923	2.7
128.98618	1.8
129.04047	0.9
131.01918	9.7
133.03490	2.3
134.99629	0.9
135.04373	0.9
137.02985	2.1
137.05978	10.2
137.06947	0.9
137.61491	0.6
141.03987	1.4
143.00159	1.6
143.01891	9.6
144.98061	0.7
145.03479	5.4
145.04953	1.6
146.99658	1.6
147.01387	1.4
147.03333	0.7
147.04427	1.7
149.02997	1.2
152.05624	1.1
153.07619	0.8
155.01837	0.8
155.02937	0.8
157.03477	4.9
158.99655	4.5
159.05074	1.3
161.01479	1.2
161.02968	9.7
161.04353	0.8
163.03902	5.6
163.06006	3.3
164.04300	0.7
165.05580	0.7
169.03426	6.7
170.99640	1.4
171.05066	1.1
171.08716	1.3
173.02963	1.0
173.06616	0.9
175.04449	0.9
177.00745	2.9
179.05527	1.3
181.03497	1.5
181.07104	7.8
182.03397	0.8
182.99689	1.8
183.01328	0.5
183.08669	19.4
185.01360	1.1
185.02980	2.0
187.02896	0.8
187.04512	10.9
187.06171	0.8
189.00775	0.8
189.04124	0.8
189.07661	0.6
191.03857	1.6
193.04977	3.7
195.03413	0.5
195.05092	1.1
195.08691	6.4
195.10356	0.8
197.01218	0.7
197.02956	0.7
197.06662	0.9
198.99089	0.7
199.04565	2.2
199.06396	1.2
199.08138	8.7
199.09898	0.6
201.00787	2.5
201.09723	16.5
201.11508	1.0
203.02313	0.7
203.04059	1.7
205.03679	0.6
205.05562	18.6
207.05077	4.7
207.08658	6.3
208.04988	0.6
209.10269	1.6
211.02803	1.0
211.08157	1.6
213.00775	0.6
213.09784	5.1
215.02234	1.1
217.05499	1.3
217.07515	0.7
219.01767	4.8
219.08759	1.2
221.03009	1.7
221.05138	3.4
221.10332	1.4
223.04919	3.0
223.06732	1.8
225.06129	2.1
225.09718	33.2
226.10048	1.0
227.11292	1.0
229.03787	0.8
233.03011	1.0
233.10414	1.0
235.02888	1.1
237.02783	5.1
237.09720	10.8
239.11351	1.9
241.03851	1.3
242.05466	0.6
243.07286	1.0
243.08177	0.8
243.10773	9.2
245.05174	0.8
247.04712	1.7
249.06152	1.6
249.09775	1.7
251.04041	1.9
251.11211	4.7
253.03900	1.6
255.10786	8.8
257.03082	0.7
258.01221	0.6
261.03064	1.0
261.11887	6.3
263.11343	3.4
265.05634	1.3
267.07224	0.7
267.10870	2.0
269.05136	0.9
269.12274	3.8
271.04996	0.6
272.06656	2.4
273.02942	1.3
273.11850	7.9
275.04077	1.8
275.11224	0.7
277.05844	1.0
279.03873	0.8
279.06894	0.7
280.07150	0.9
281.12347	2.6
285.02789	1.1
285.08600	0.6
285.11951	1.0
293.05035	7.9
293.12363	1.2
295.04803	0.8
296.13535	0.8
299.13342	3.3
303.04001	1.3
309.08582	1.4
311.06140	32.3
311.13327	5.7
312.06223	0.7
313.06152	2.0
325.07675	2.9
327.03851	2.7
329.07532	5.0
329.14481	9.7
334.08096	0.6
343.03476	1.0
343.08768	0.7
345.05176	0.8
345.12512	0.7
347.15533	15.9
348.08594	0.6
351.09494	1.5
353.09009	3.3
353.59479	1.3
355.07056	1.2
357.09570	2.6
361.11649	0.9
363.13269	1.3
365.09155	0.7
366.10641	6.1
366.60959	1.7
369.04956	1.1
371.08334	0.8
373.08243	1.7
377.07410	1.3
379.12668	0.8
395.08466	1.3
403.05710	1.6
413.09390	1.9
415.09354	2.2
429.07166	1.3
431.10852	1.2
433.10309	1.8
437.09515	1.9
459.10071	0.8
471.15338	0.9
497.10278	1.0
513.21783	7.5
534.58228	0.6
539.11682	1.6
539.19891	2.7
557.12933	1.0
557.21051	3.3
573.20471	2.4
716.41095	0.7
719.26105	100.0
720.26361	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	719.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	15.8
54.24806	2.0
55.01875	21.5
55.05512	41.8
57.03446	16.4
57.07082	3.1
59.04996	3.6
61.02923	3.2
61.56414	2.3
65.03937	5.0
67.05508	71.4
69.03435	33.2
69.07078	30.6
71.01353	2.3
71.05000	15.2
71.52810	3.5
73.02909	3.2
76.98740	2.4
79.05499	66.5
81.03423	100.0
81.07057	77.8
83.01360	4.9
83.04988	28.9
83.08620	23.5
83.72559	1.9
85.02903	24.6
85.06540	3.4
91.05484	58.3
93.07047	68.7
95.04977	29.7
95.08609	36.0
97.02908	27.0
97.06531	15.4
97.10165	18.5
99.04459	12.3
99.08076	4.2
103.05453	3.5
105.07040	54.5
107.04963	21.7
107.08600	43.2
109.02881	20.8
109.06548	10.9
109.10169	27.2
111.04435	14.5
111.08086	11.5
113.06034	2.3
113.09602	2.5
115.05451	5.1
117.07017	22.7
119.04946	2.4
119.08592	42.6
121.06494	13.1
121.10160	26.0
123.04406	2.8
123.08080	8.8
123.11711	5.1
125.09667	15.1
127.03918	24.0
128.06226	4.4
129.05472	2.5
129.07004	15.5
130.07909	3.1
131.04893	2.1
131.08575	28.9
133.06490	7.2
133.10135	25.0
135.08083	13.7
135.11682	18.3
137.09627	6.3
139.07538	2.8
141.07030	3.2
142.07814	4.5
143.08559	13.1
145.04926	2.3
145.06516	6.8
145.10127	31.8
145.11169	3.0
147.04520	2.2
147.08041	9.7
147.11713	22.0
149.06049	2.6
149.09651	13.8
149.13254	5.1
151.07442	2.4
151.11142	4.6
153.09131	2.5
153.12755	8.3
155.08559	6.0
157.06470	2.6
157.10092	12.2
158.07294	2.5
159.08034	5.7
159.11694	14.3
161.09647	7.9
161.13249	6.3
163.03880	4.1
163.11189	26.2
165.09012	2.1
165.12753	2.4
169.10155	7.7
171.10353	3.5
171.11719	7.8
173.04489	17.2
173.09613	5.9
173.11839	4.0
173.13281	7.1
175.11111	10.6
177.12732	3.6
181.10172	2.9
181.12263	8.4
183.11740	3.8
185.09644	2.2
185.13359	4.0
187.11278	4.5
189.11249	12.2
189.12703	2.7
191.10670	5.4
193.12305	13.0
197.09659	2.4
197.13228	4.9
199.11086	2.7
201.12654	2.4
207.11798	2.3
209.11684	6.5
209.13390	2.6
211.11462	3.8
211.13226	15.0
215.14391	2.7
223.13272	4.2
227.12785	26.2
229.14377	5.6
229.19434	3.2
239.17972	6.4
247.20544	3.0
251.14259	3.0
257.15506	2.3
257.19077	7.9
263.19940	2.1
265.14288	2.7
267.15903	6.0
273.18521	13.1
275.20068	55.5
283.15414	25.5
291.19528	31.5
293.21118	2.9
313.21631	6.4
331.22980	2.5
347.22125	2.8
349.23724	20.1
353.16037	5.2
355.17657	3.2
365.23306	3.9
377.31863	2.4
401.23309	2.7
419.24167	2.9
423.27554	2.7
424.27625	3.8
427.19562	12.7
429.21445	2.1
429.27658	2.6
447.29230	3.0
465.29468	3.4
477.28363	3.2
482.04211	2.2
529.35107	5.1
539.33698	16.5
551.90649	2.3
557.34741	51.2
575.35712	8.0
621.32166	4.0
665.36810	3.3
683.37946	4.1
701.39014	28.3
719.40094	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.3
51.30320	1.6
53.03952	10.8
54.26132	1.7
55.01871	6.3
55.05515	31.9
57.03203	1.5
57.03446	13.3
57.07076	4.5
57.51279	1.5
60.35256	1.6
61.02921	7.0
65.03954	4.9
67.05510	81.1
68.51442	1.7
69.03416	5.3
69.07076	23.5
69.72283	3.8
69.72677	3.8
71.04984	2.7
73.02909	3.1
73.06550	2.2
75.09470	1.7
76.88661	1.7
77.03902	1.8
77.06212	1.6
79.05497	98.5
81.03428	11.4
81.07060	79.7
83.04977	12.8
83.08632	13.5
85.02898	6.2
85.06542	4.5
91.03955	2.9
91.05487	100.0
93.07050	96.5
95.04980	20.4
95.07993	2.9
95.08608	45.6
97.02905	6.4
97.06514	8.1
97.10183	5.5
99.08087	2.8
101.02386	2.4
103.05452	2.2
105.04514	3.9
105.07038	93.2
107.04970	10.8
107.08601	34.8
109.02846	2.1
109.06523	8.9
109.10147	15.9
111.08147	3.4
115.05431	3.6
117.07023	25.3
119.08592	66.0
121.06525	3.7
121.10152	18.0
123.08070	6.4
123.11670	3.5
125.09653	4.9
127.07548	2.7
128.06236	8.3
129.07022	28.7
131.08577	34.2
133.06520	2.9
133.10133	41.3
135.08057	2.8
135.11685	14.6
137.09575	2.3
141.07010	5.7
142.07755	3.6
143.08571	20.6
145.06508	2.2
145.10135	30.3
147.08150	2.7
147.10512	3.2
147.11690	61.6
149.09618	2.5
149.13268	6.7
151.11139	2.5
152.60612	1.7
155.08572	10.1
157.10127	17.5
159.11713	22.4
161.09616	7.1
161.13266	33.7
163.11171	4.0
163.14857	4.0
167.08549	5.1
169.10132	12.0
171.11708	40.4
173.13272	14.9
175.11273	2.5
175.14810	15.6
177.12837	4.5
181.10112	6.3
183.11670	8.4
185.13272	16.2
187.11212	4.1
187.14839	4.7
189.12747	8.3
195.11723	6.8
197.13333	9.5
199.14859	6.8
207.13776	15.8
209.13316	6.3
211.14842	4.6
213.16435	4.7
217.19601	2.7
221.13295	2.2
223.14891	4.5
225.16440	2.3
231.21121	4.9
233.13327	2.6
235.14867	3.5
239.18144	1.9
241.19521	24.7
243.21124	2.0
257.19135	4.2
259.20590	51.7
260.70245	2.3
261.22256	2.2
275.20212	2.2
279.15967	12.1
281.17477	56.0
315.23276	4.7
333.24261	39.5
335.23660	1.9
339.23209	1.9
425.14526	2.0
429.31390	4.0
437.34286	5.2
447.32700	13.4
447.53299	1.9
465.33725	10.9
483.34436	7.1
501.35596	2.7
512.18750	1.9
521.36176	7.5
529.38715	3.3
539.37329	98.1
540.37781	2.2
557.38397	41.0
683.41022	2.1
701.41809	8.3
719.42676	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01871	2.1
55.05510	12.9
57.03430	2.3
57.07070	3.5
59.04984	1.9
60.32936	1.0
65.03943	1.3
65.48086	0.8
67.05506	21.4
69.03424	5.9
69.07060	5.6
69.52937	1.2
69.53343	4.9
71.05004	9.3
79.05502	10.1
81.03419	12.9
81.07058	100.0
83.04977	2.0
83.08615	4.4
85.02910	9.6
85.06551	7.5
89.06037	2.0
91.05451	5.6
93.07050	13.3
95.04973	8.6
95.08607	21.7
97.02885	3.4
97.06500	1.6
97.10170	11.0
99.04459	2.5
99.08086	1.8
105.07030	4.9
106.24921	0.9
107.04971	1.9
107.08587	8.9
109.02864	9.5
109.06528	5.3
109.10163	6.0
111.04431	2.9
111.08072	3.7
115.05403	2.1
117.07024	1.7
119.08620	2.7
121.06481	1.4
121.10143	4.3
123.08070	2.7
123.11710	70.8
127.03925	14.9
129.07034	2.0
131.04959	1.8
131.08543	2.2
133.10138	6.6
135.04411	1.2
135.11659	1.8
136.05228	1.9
137.05978	34.7
141.12743	2.9
143.04903	3.0
145.06393	0.9
145.10147	1.4
147.11705	1.6
149.05956	1.0
149.09579	1.5
151.07550	17.1
151.11174	14.3
157.06487	2.8
158.07246	3.0
159.04517	1.5
160.05171	4.3
161.05956	1.3
163.03922	4.0
163.11150	2.6
165.05489	1.2
169.12244	46.6
172.08873	1.5
174.06770	12.8
175.06044	2.0
175.07556	34.7
177.09132	1.7
179.06979	1.3
187.07571	12.7
187.13297	38.1
187.14960	2.1
188.08351	1.5
189.07401	2.2
189.09114	45.1
193.12192	1.0
201.09108	18.8
203.10667	3.5
205.08568	10.5
219.10144	10.2
229.14287	1.8
231.10199	6.1
235.09682	10.2
249.11256	12.0
249.13605	1.2
249.14949	1.6
254.09506	1.7
262.09961	1.1
269.08170	1.6
270.08948	1.4
277.14322	3.5
283.15405	2.4
284.10358	5.3
285.11197	6.3
291.10159	2.0
293.11633	1.5
295.15448	13.2
297.11209	1.4
305.11661	4.1
306.12454	2.8
310.11963	2.2
313.16443	9.4
315.18439	1.1
322.11887	1.3
325.14429	2.7
327.15906	1.3
329.17883	1.4
331.17523	37.4
331.21530	1.8
337.14392	18.2
338.14774	1.0
355.15408	21.1
361.19830	1.0
436.34433	1.0
459.26993	1.1
491.26279	3.7
523.28918	2.1
720.38245	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01882	1.8
55.05513	6.0
57.03438	5.1
65.03910	0.8
65.20150	0.7
67.05509	16.9
69.03435	1.3
69.07075	3.8
69.24731	5.6
71.04977	1.1
73.06561	0.9
79.05499	25.4
81.03423	30.3
81.07061	15.9
83.04992	5.5
83.08627	9.2
85.02911	1.8
85.06562	1.0
87.04453	0.7
87.17338	0.6
88.00656	0.7
91.04910	1.2
91.05485	21.5
93.07048	24.7
95.04973	13.4
95.08612	10.3
97.02914	1.7
97.06536	1.5
97.10170	1.7
98.10290	0.7
99.08105	0.8
105.07043	15.2
107.04960	4.7
107.08600	7.7
109.06509	3.9
109.10165	2.9
111.08101	2.9
115.05482	0.8
117.07018	3.7
119.08580	10.8
120.08904	0.9
121.06547	1.3
121.10155	3.9
123.04474	0.7
123.08065	3.1
123.11733	0.9
125.09614	0.8
129.07047	7.7
131.08577	4.6
133.06494	2.3
133.10135	4.7
135.08099	1.1
135.11754	1.3
143.08560	3.4
145.10132	4.1
145.78265	0.7
147.08044	2.4
147.11697	15.5
149.09624	1.8
157.10127	5.0
159.11685	1.2
161.09616	1.7
161.13182	3.8
163.03935	1.0
163.11212	1.2
171.11690	7.9
175.11156	3.4
179.14326	0.7
189.12762	2.8
193.12265	8.4
206.31583	0.7
207.13797	9.4
211.13292	0.9
267.15939	32.2
281.17496	33.7
421.26169	0.9
422.30405	0.9
473.29016	100.0
474.29407	2.6
491.29895	2.3
515.30164	1.6
635.07983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01864	1.5
55.05271	0.9
55.05513	12.5
57.03442	13.6
57.07078	27.5
61.02930	4.6
65.03931	0.7
67.05507	21.9
69.03439	3.1
69.07076	9.1
69.28262	4.6
71.04977	2.8
71.08634	19.3
73.02917	1.5
77.03931	0.7
79.05494	16.0
81.03421	43.2
81.07058	26.6
83.04980	9.7
83.08623	21.4
83.28056	0.6
85.02904	21.0
85.06509	1.1
85.10187	12.3
88.10795	0.7
89.06030	0.9
91.03957	1.9
91.04900	1.1
91.05482	22.1
91.07224	0.6
93.07045	12.2
95.04375	1.1
95.04966	17.6
95.08608	21.0
95.97499	0.6
97.02905	4.0
97.06525	2.1
97.10173	5.6
99.08087	1.5
103.07596	0.9
105.06327	0.7
105.07030	13.9
107.04953	5.1
107.08580	4.7
109.06517	3.5
109.10154	8.4
111.04427	1.4
111.08088	6.4
111.66438	0.6
113.06001	2.4
115.05473	0.7
117.07014	0.9
119.04923	0.6
119.08575	13.1
121.06498	1.2
121.10142	6.4
123.08062	2.3
123.11721	4.0
125.09620	0.8
127.03983	0.7
129.07010	8.0
131.08578	7.1
133.06529	1.5
133.10127	8.4
135.11748	0.9
137.09613	1.6
137.13289	0.7
142.07765	2.9
145.10124	1.0
146.08153	0.7
147.08060	1.8
147.11699	10.0
148.22427	0.5
149.09628	4.2
157.10110	9.0
165.12785	2.6
175.11185	9.5
193.10452	0.9
193.12251	29.9
211.13295	48.8
212.13586	0.9
239.23735	1.6
249.14757	0.9
257.24683	0.9
267.15921	14.2
285.16965	68.4
286.17258	1.3
304.29001	0.6
310.64996	0.6
313.27374	72.7
314.27890	1.4
314.31671	0.6
505.38916	14.8
518.98450	0.6
523.39966	100.0
524.40735	2.7
633.36163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01857	0.9
55.05511	6.9
57.03439	7.4
57.07078	18.2
61.02934	2.0
67.05509	10.2
69.03426	2.8
69.07074	6.8
71.05002	1.4
71.08638	13.6
71.52728	1.1
71.87181	1.2
79.05493	8.9
79.49763	0.8
81.03422	31.5
81.07056	15.6
83.04977	5.5
83.08619	16.5
85.02902	11.1
85.06544	1.0
85.10187	7.9
91.05476	8.5
93.00851	0.8
93.07045	5.8
95.04967	10.8
95.08610	13.4
97.02903	2.7
97.06539	2.0
97.10201	4.2
105.07040	8.1
107.04948	3.0
107.08588	4.2
109.10165	6.1
111.04424	1.4
111.08092	6.2
113.06036	1.2
119.08564	8.1
121.10155	4.2
123.11714	2.0
129.07027	4.0
131.08560	4.7
133.06508	1.0
133.10153	4.5
135.11697	0.8
137.09669	0.9
137.13240	1.0
144.43166	0.8
145.10147	1.2
147.08112	1.9
147.11679	5.9
149.09634	3.2
157.10178	7.7
165.12769	1.4
175.11179	5.5
189.10742	0.9
193.10455	1.1
193.12253	25.4
211.13312	32.2
239.23683	1.4
257.24893	1.0
267.15939	7.6
283.15533	1.5
284.15671	2.0
285.16992	29.7
313.27365	42.5
314.27655	1.5
476.21481	1.5
505.38861	8.1
522.40100	1.0
523.39972	100.0
524.40002	1.5
620.49011	0.8
622.27789	1.8
623.28357	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	721.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05514	9.4
57.03432	2.0
57.07064	3.4
59.04984	1.4
65.03922	1.2
67.05180	1.4
67.05507	17.1
69.03438	6.6
69.07074	4.7
70.01542	2.8
71.04994	10.1
79.05483	5.2
81.03414	9.6
81.07057	100.0
82.07367	0.9
83.08614	2.4
85.02906	6.9
85.06551	6.4
89.06019	2.6
91.05491	3.5
93.07048	12.4
95.04982	5.6
95.08613	18.7
97.02918	4.9
97.10184	10.1
99.04449	1.8
99.08083	2.2
105.07027	3.5
107.08608	4.9
109.02882	10.6
109.06503	4.0
109.10142	2.8
111.08062	3.2
119.04916	4.2
121.06483	1.0
121.10140	1.7
123.08077	1.4
123.11707	87.0
124.11996	1.8
127.03918	16.6
133.10135	4.7
137.05972	1.8
139.11162	1.5
141.12747	2.5
145.04918	1.9
147.04466	4.1
151.11194	17.0
163.03918	5.6
165.05522	2.5
169.12241	58.8
170.94949	0.8
183.06587	1.7
187.13300	25.3
191.03362	2.0
193.04961	2.6
193.47466	0.9
209.04457	3.6
211.06023	4.5
229.07079	1.7
229.14302	4.7
247.41699	0.8
249.14781	1.9
277.14322	6.2
295.15411	19.5
313.16464	10.4
315.15668	1.4
331.17517	49.2
358.63531	0.8
361.16458	11.3
383.24338	0.8
421.52594	1.0
487.19873	1.7
505.20560	2.6
523.21710	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	721.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89083	0.1
67.05508	0.2
69.28039	1.4
78.48524	0.1
81.07074	0.2
85.02917	0.3
87.63185	0.1
91.05491	1.2
93.07041	0.2
103.05493	0.3
105.07044	0.3
109.02883	0.2
115.05462	0.8
116.06256	0.2
117.07039	0.3
119.04958	0.2
120.92148	0.1
127.05407	0.2
128.06200	0.9
129.07010	6.1
131.04959	0.9
131.08578	6.9
131.49881	0.2
133.10158	0.2
133.44632	0.2
135.04381	0.2
137.05983	1.4
141.06992	5.4
143.04919	0.3
143.08571	0.5
144.05702	1.0
145.02779	0.2
145.06494	0.9
146.07295	0.4
148.05193	0.2
149.05983	0.2
151.07561	0.3
155.06039	0.3
157.06505	5.3
158.07298	2.5
159.04475	0.3
159.08064	6.0
160.05209	0.8
161.05988	0.4
161.09630	0.6
162.06767	0.2
163.03920	1.7
163.07545	0.7
168.05751	0.2
169.06482	3.1
169.07664	0.2
170.07278	1.4
171.08041	0.3
173.05843	0.2
173.09624	0.4
174.06773	13.5
175.07559	2.9
186.06790	2.5
187.07520	0.4
188.08304	0.7
189.09119	24.4
190.09543	0.4
191.07071	0.4
191.10683	1.9
201.09117	8.8
207.10153	0.6
219.10173	100.0
220.10516	1.6
222.87494	0.1
237.11168	0.9
266.90564	0.2
355.12558	0.2
379.52914	0.2
522.34973	0.2
619.11566	0.2
679.91626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
55.01860	5.9
55.05507	6.8
57.03424	5.8
57.07077	2.5
61.02939	7.6
67.05518	8.6
67.19766	1.5
68.64211	1.4
68.99775	3.2
69.03436	41.9
69.07085	9.0
70.03009	5.6
71.04977	6.0
73.02901	5.4
79.05489	9.4
81.02995	2.0
81.03431	26.4
81.07069	18.8
83.04971	2.3
83.08622	5.4
85.02914	100.0
87.00318	2.8
87.00838	51.2
91.05497	10.7
93.07053	16.1
95.04949	4.7
95.08611	27.1
97.02897	29.4
97.06474	1.6
97.10172	2.4
99.04462	12.5
99.15939	1.5
105.01876	68.3
105.07028	14.8
107.04945	1.7
107.08604	22.0
109.02891	26.9
109.06542	2.2
109.10169	19.5
109.10867	2.4
111.04445	1.4
117.01871	2.0
117.06995	3.2
119.08593	21.1
121.10149	20.6
123.08087	2.3
123.11736	6.6
127.03926	62.7
129.01849	1.8
129.07005	2.6
131.08553	7.5
133.10136	17.3
135.11707	18.9
137.06021	2.3
137.13268	4.1
143.08586	4.6
145.04977	21.9
145.10144	11.0
147.08018	2.3
147.11705	12.6
149.13266	10.4
151.07507	3.0
157.10132	3.4
159.02954	8.2
159.11690	6.7
161.13268	7.7
163.03952	3.7
163.11163	3.4
163.14836	5.4
165.09113	3.4
169.08670	2.1
169.10091	1.8
171.11691	3.7
173.13292	3.9
175.14827	5.6
177.16411	17.8
183.11629	1.9
185.13193	1.8
187.09671	1.6
187.14816	8.3
189.03891	2.9
189.16393	17.3
191.17946	4.4
199.14755	2.9
201.16412	9.9
203.17979	30.9
205.15895	18.5
207.17392	3.7
213.03929	6.1
213.16353	6.0
215.17950	4.9
217.19650	2.5
231.05020	24.8
231.17570	3.0
235.17012	1.9
241.19443	2.5
249.05991	9.7
249.18518	5.8
259.16937	5.4
261.18542	3.3
267.15796	1.4
275.20163	3.0
315.23239	1.4
348.69107	1.4
391.33597	4.0
404.20206	1.6
409.29688	1.9
409.34720	35.6
411.32535	2.6
437.34219	36.2
455.35251	22.3
473.36530	8.7
541.34955	2.6
547.12720	1.6
559.36267	2.7
572.03961	1.5
639.38885	2.3
657.39313	1.9
685.39270	3.8
703.40100	5.4
721.27484	2.1
721.40814	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	721.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19781	1.4
53.03942	7.6
55.01867	8.2
55.05517	12.7
57.03453	7.8
57.03695	1.6
57.07082	1.8
61.02919	5.2
62.01183	1.5
67.05508	20.1
68.99818	3.1
69.03435	43.7
69.07071	12.4
69.55659	10.6
71.04998	5.4
73.02905	4.1
74.67511	1.5
79.05502	20.9
81.00777	1.8
81.03424	40.4
81.07061	25.0
83.04976	4.7
83.08618	10.7
85.02911	100.0
87.00834	46.8
91.03963	2.2
91.05486	20.7
93.07054	20.5
93.66360	1.5
95.04948	8.2
95.08620	37.1
97.02897	28.2
97.06543	4.9
97.10158	4.4
98.21519	1.7
99.04455	10.9
105.01878	59.1
105.02588	3.1
105.07035	22.9
107.04962	5.4
107.08600	37.6
109.02893	28.8
109.06534	3.6
109.10154	17.8
111.08080	3.1
115.03944	2.3
117.07025	6.2
119.08586	33.4
121.06603	1.9
121.10134	24.1
122.06320	1.8
123.08038	3.0
123.11730	10.8
125.09657	3.6
127.03930	65.9
129.01868	2.2
129.07024	5.7
130.57507	1.6
131.08585	13.3
133.10139	24.6
135.08023	3.0
135.11703	13.6
137.09608	2.4
143.08594	7.1
145.04967	17.7
145.10124	16.1
147.02922	3.7
147.11702	20.9
149.09630	4.3
149.13261	10.7
153.09111	2.2
155.08595	2.7
157.10132	5.9
159.02892	7.3
159.11726	13.7
161.09621	2.0
161.13295	9.1
163.03894	2.5
163.11189	5.7
163.14847	6.1
165.09222	2.2
165.12776	1.7
167.10765	1.5
169.10136	3.1
171.11700	5.9
173.13304	5.9
175.11205	3.5
175.14839	13.9
177.16412	17.9
179.14273	1.7
183.36183	1.7
185.13254	2.6
187.14890	10.5
189.03947	2.4
189.11203	2.1
189.16367	22.3
191.17990	3.7
193.12273	4.9
199.14853	3.0
201.16359	9.6
203.17952	29.3
205.15894	61.1
205.17865	3.1
205.19676	2.6
207.17467	8.0
211.13312	7.3
211.15039	1.9
213.03943	5.0
213.16428	3.2
215.18010	9.5
217.19534	2.0
221.19209	1.8
227.12785	3.0
231.05028	19.8
235.16974	1.8
239.17950	2.2
247.16933	6.9
249.06110	9.2
249.18587	7.2
257.19089	2.0
261.18469	8.2
267.15988	3.6
275.20117	9.7
285.16821	1.8
295.24200	2.6
313.25409	5.1
349.23627	5.9
391.33627	6.6
409.34683	42.9
411.32745	3.3
417.19534	1.7
427.35760	5.2
429.21338	2.1
437.34259	34.2
438.34518	2.0
455.35068	5.7
541.35498	11.1
552.93011	1.8
559.25751	1.6
559.36163	8.0
685.38800	3.2
703.40656	10.1
721.40607	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	721.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.7
53.03954	13.7
55.01873	17.2
55.05511	38.3
57.03441	17.2
57.07065	3.1
59.05007	3.5
61.02932	2.1
65.03931	6.2
67.05511	75.7
69.03086	3.0
69.03435	27.5
69.07069	25.9
69.15675	1.6
69.22658	6.8
69.23082	10.7
71.01336	2.0
71.04986	13.4
73.02910	2.5
79.05499	73.2
81.03421	100.0
81.07057	86.1
83.04984	29.7
83.08617	28.8
85.02914	23.1
85.06541	4.4
91.05484	79.2
93.07048	59.1
94.07361	2.1
95.01349	2.1
95.04971	36.6
95.08609	36.2
97.02892	21.9
97.06529	22.0
97.10173	18.8
98.56963	2.3
99.04459	6.5
99.08096	3.1
103.05464	2.0
105.04586	1.9
105.07037	65.5
107.04972	22.1
107.08593	43.4
109.02871	16.4
109.06530	14.4
109.10161	21.4
111.04462	10.9
111.08069	10.5
113.06019	2.7
115.05458	6.6
117.07024	28.2
119.08590	49.1
121.06522	11.7
121.10146	24.0
123.04426	2.7
123.08072	9.5
123.11700	7.4
124.76453	2.0
125.09642	14.8
127.03911	13.9
128.06244	3.1
129.05478	6.0
129.07018	18.7
130.07768	2.2
131.08559	36.4
133.06490	6.0
133.10133	39.8
135.04379	2.0
135.08092	11.9
135.11676	13.6
137.09619	6.6
141.06998	5.6
142.07791	3.8
143.08575	10.6
145.06523	4.1
145.10118	28.6
147.04370	2.0
147.08084	8.9
147.11699	30.8
149.09627	21.6
149.13281	5.1
151.11168	6.0
153.09109	3.1
154.07831	1.9
155.08557	10.2
157.06505	1.8
157.10173	22.8
159.08057	4.3
159.11716	15.1
161.09651	6.1
161.13261	5.9
162.10312	1.8
163.11169	13.9
165.09128	3.1
165.12808	3.9
169.10132	11.0
171.11717	11.6
173.04459	16.8
173.09656	5.3
173.13258	8.0
175.11227	14.7
175.14914	2.2
177.12729	3.6
179.08536	2.4
179.14326	3.7
179.51392	1.9
181.10045	2.8
181.12332	2.1
183.11746	9.4
185.09705	2.3
185.13234	4.7
187.11191	6.0
187.14870	2.4
189.11217	5.9
189.12741	3.5
191.10643	4.7
193.12241	30.5
195.11780	2.3
197.13251	8.3
199.11273	2.1
199.14816	4.1
201.12807	2.9
205.12215	3.9
209.09682	2.1
211.11313	4.0
211.13263	42.2
213.16586	2.3
225.12877	2.3
227.12740	14.9
229.14407	5.6
229.19600	4.6
237.12813	1.9
239.17931	3.9
247.20633	3.4
257.19037	15.2
259.20654	2.4
267.15903	22.8
269.17444	2.2
271.20776	1.8
273.18588	3.3
275.20053	74.3
283.15442	3.4
285.16962	21.2
293.21112	7.0
299.20071	3.0
313.21567	4.6
331.22589	3.1
337.21405	2.3
349.23767	40.9
355.17618	3.3
367.24878	2.7
411.20328	4.7
419.24243	2.9
429.21136	15.8
431.29327	2.8
447.27795	2.1
449.30435	4.4
461.28995	5.4
467.31665	4.0
475.26816	2.6
479.29959	3.9
485.32269	3.3
493.28064	2.5
501.31879	3.3
513.35767	3.0
523.34161	6.1
531.36261	1.9
541.35248	54.2
559.36359	52.2
560.36670	2.8
577.36969	4.8
623.34210	3.3
649.36707	2.3
667.38300	6.3
685.38910	7.3
703.40637	35.0
721.41541	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	721.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35822	1.1
53.03949	6.1
55.01871	1.4
55.05515	15.3
56.74506	1.0
57.03437	7.2
57.07064	2.4
65.03947	2.9
67.05510	56.1
69.07076	11.4
71.04989	1.6
71.08641	1.2
71.53185	1.5
79.05495	51.9
81.03439	6.3
81.07061	51.4
83.04987	7.2
83.08627	7.0
85.02913	1.5
85.06530	2.1
85.86438	1.1
91.05485	38.9
93.07048	58.3
95.04984	11.7
95.08613	34.9
97.02879	1.4
97.06532	2.4
97.10158	3.6
105.04506	2.4
105.07039	28.9
107.04935	3.5
107.08594	18.9
109.06534	3.8
109.10155	10.9
117.07016	8.0
119.08589	17.5
121.06461	1.6
121.10136	10.5
123.08064	3.3
123.11697	2.5
127.07468	1.2
128.06212	1.4
129.07021	10.4
131.08559	6.5
133.10114	9.1
135.04568	0.9
135.11703	6.3
141.09183	1.2
143.08549	5.1
145.10127	7.8
147.11707	21.7
149.13278	2.3
159.11716	2.1
161.09589	2.9
161.13243	6.7
163.14836	1.2
171.11711	11.1
173.13274	1.7
184.07397	1.1
187.14890	1.2
187.85953	1.0
189.12750	4.0
207.13835	13.9
243.21120	1.6
261.22171	7.0
279.15881	1.1
281.17499	32.9
317.24786	1.9
335.25815	53.7
336.26193	1.2
524.40192	1.4
541.38910	100.0
542.39178	3.1
559.39471	1.5
591.26050	2.6
721.35767	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01872	6.4
55.05509	12.2
57.03436	10.3
57.07075	1.3
59.04994	1.2
61.02921	1.8
63.05727	0.8
65.03931	1.1
67.05505	20.5
69.03437	6.8
69.07063	7.6
71.01350	1.0
71.05006	4.7
71.52415	1.0
73.02926	1.2
77.03902	0.7
79.05491	25.2
81.03416	55.9
81.06594	1.3
81.07056	25.1
83.01331	2.4
83.04978	10.7
83.08624	16.3
83.84357	0.8
85.02911	10.4
85.06530	1.9
87.00819	1.7
91.05484	24.1
93.07041	26.5
94.07401	0.7
95.04974	20.3
95.07993	1.0
95.08602	19.3
97.02888	8.0
97.06538	5.2
97.10178	4.0
99.04449	3.3
99.08085	1.3
101.06009	0.9
103.05488	1.1
105.01854	2.2
105.07034	21.2
107.04965	13.5
107.08589	19.3
109.02867	3.4
109.06525	7.0
109.10137	5.8
109.99832	0.9
111.04438	5.8
111.08083	5.9
115.05452	1.7
117.07004	10.7
119.04929	1.6
119.08577	18.9
121.06492	5.5
121.09341	1.2
121.10142	16.1
123.04437	1.1
123.08051	4.5
123.11706	2.0
125.05949	2.3
125.09631	3.0
127.03936	4.0
127.07607	0.9
128.06262	1.3
129.07008	8.1
130.07803	1.3
131.04904	0.8
131.08572	11.8
133.06447	2.9
133.10126	10.2
135.08047	3.4
135.11694	24.0
137.05962	1.7
137.09625	2.3
139.07475	1.0
139.11118	1.0
141.52946	0.8
142.07777	1.1
143.08530	4.1
145.04970	1.1
145.06511	1.7
145.10129	19.3
147.04428	4.4
147.08060	4.9
147.11685	8.7
149.09639	5.4
149.13293	1.5
151.11244	1.0
153.12759	2.8
155.08524	1.9
157.10123	8.7
159.02916	1.0
159.11682	2.6
161.05911	1.8
161.09601	2.0
161.13245	1.5
163.03880	3.2
163.11179	34.0
165.09087	1.5
165.12766	1.9
171.08089	0.9
171.11684	2.1
173.09644	3.7
173.13263	1.3
175.11200	7.4
177.12814	1.0
177.16428	1.7
181.12257	5.4
183.11591	0.9
187.11159	1.0
189.11221	1.4
191.10652	2.2
193.12239	17.5
197.13243	1.0
204.18214	1.1
205.12268	1.1
205.15955	2.0
206.16193	1.2
209.11690	3.5
211.13297	11.3
217.12245	2.9
218.12567	1.7
223.11388	0.9
223.13295	4.7
227.10571	1.9
227.12761	22.4
228.13083	0.9
229.12291	1.0
231.13884	1.1
232.05432	1.0
240.12100	0.8
241.14278	4.3
249.14926	1.5
259.20502	2.0
265.14362	2.4
267.15912	60.3
283.15396	39.6
285.17017	10.9
301.21664	1.0
315.18106	8.1
345.19077	0.9
355.22821	1.3
367.22589	1.3
383.22238	4.8
385.23517	2.2
401.23120	3.4
403.24652	3.0
410.34970	0.9
421.11212	0.8
421.25754	2.3
431.24124	1.4
456.31677	1.0
457.25864	12.7
475.26926	100.0
476.27066	3.3
493.27982	15.8
507.29443	4.1
525.30597	15.1
557.91614	0.9
590.40662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59558	0.4
53.03948	2.2
55.01870	3.2
55.05511	8.0
57.03192	0.7
57.03442	7.3
59.04985	1.0
65.03933	0.8
67.05188	0.8
67.05511	10.7
69.03419	1.8
69.07077	3.4
70.87654	1.0
71.01344	0.5
71.04980	1.8
75.09744	0.4
78.74946	0.4
79.05492	12.5
81.03420	32.7
81.07050	10.5
83.01350	2.7
83.04981	6.9
83.08624	10.7
85.02901	2.7
85.06543	0.5
91.03938	0.6
91.05482	10.0
93.06492	0.7
93.07050	11.7
95.04974	11.4
95.08614	5.2
97.02882	1.9
97.06545	2.9
97.10168	4.9
98.21556	0.4
99.04473	1.0
99.08081	0.6
105.07026	7.7
105.58120	0.4
107.04964	7.1
107.08604	7.4
109.02881	1.1
109.05915	0.4
109.06538	3.1
109.10170	3.0
111.04445	1.8
111.08077	3.5
113.06028	0.4
115.05446	1.0
117.07015	4.1
119.04977	0.7
119.08593	8.8
121.06508	3.9
121.10152	4.6
123.04419	0.8
123.08056	3.3
123.11775	0.6
125.05992	0.7
125.09648	3.4
129.07016	3.8
131.04912	0.7
131.08575	4.9
133.06488	1.8
133.10120	2.4
135.08061	1.3
135.11702	3.9
137.05925	0.5
137.09633	1.4
142.07794	1.0
143.08575	1.9
145.06502	1.8
145.10147	7.4
147.04384	0.9
147.08044	2.8
147.11700	2.6
149.05980	0.5
149.09628	2.7
153.09079	0.8
153.12756	2.2
155.08589	1.0
157.06505	1.0
157.10136	3.6
159.08092	1.3
159.11697	0.7
161.05968	2.7
161.09674	1.1
163.11197	8.9
165.12849	0.7
169.10078	0.5
171.08109	0.9
173.09637	2.4
175.11148	3.3
181.12286	1.4
185.09630	0.8
185.13319	0.7
187.07578	0.7
187.11206	0.5
189.09155	1.0
189.11234	1.5
189.12743	0.5
191.10664	1.6
193.12242	6.9
197.09563	0.7
205.12250	1.3
209.11775	1.8
211.11302	0.9
211.13235	0.8
225.12767	0.6
227.12798	1.8
231.13812	1.3
235.11182	0.6
237.12981	0.6
243.13753	0.6
249.14926	0.7
259.13385	0.7
267.15915	20.2
269.15283	0.5
271.13345	1.2
273.14883	1.2
277.15384	0.5
283.15405	16.2
289.14343	2.5
301.14258	0.5
303.15948	0.5
337.21561	0.7
355.22821	1.3
365.21124	3.4
383.22202	13.1
383.27066	0.8
401.23206	7.1
419.24408	1.2
421.23993	0.6
431.24289	0.9
439.25079	1.8
451.10422	0.5
457.25888	23.5
458.26233	0.7
475.26938	100.0
476.27246	2.9
493.27948	11.2
517.27905	1.6
571.29291	0.7
583.28900	0.5
619.31006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
55.05511	9.5
57.03446	4.0
61.02936	18.0
67.05508	44.7
69.03423	4.7
69.07082	8.1
71.52281	2.7
73.02937	4.2
78.43031	2.4
79.05491	23.5
80.96901	2.4
81.03429	4.3
81.07061	48.8
83.08622	5.1
85.02906	24.9
85.06586	2.7
86.09727	3.0
91.03973	17.1
91.04488	3.5
91.05488	13.7
93.07051	29.9
95.08618	38.9
97.02900	12.7
97.06520	5.0
97.10169	3.3
105.07053	13.2
106.34470	3.1
107.08602	21.9
109.10154	27.5
117.07036	4.6
119.08593	12.4
121.10143	18.9
123.08127	2.4
123.11723	16.1
127.03921	10.5
131.08583	14.4
133.10129	10.1
135.11708	23.2
137.13315	4.9
140.96904	2.4
145.04967	15.7
145.10123	12.7
147.11705	10.0
149.13277	17.2
151.14865	2.8
159.11697	11.5
161.13263	9.5
163.06021	16.2
163.14845	16.9
165.12865	2.7
173.13303	9.4
175.14885	3.4
177.16422	7.2
179.14397	2.8
187.14877	5.1
205.15903	2.5
243.21109	38.4
260.86285	2.5
261.22150	100.0
279.23297	5.3
335.25775	31.2
353.26892	82.2
354.26917	2.7
518.47662	2.6
542.35504	8.2
560.36816	4.0
613.34271	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	723.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09983	0.3
54.98690	0.3
56.96302	0.4
56.96564	4.8
58.05737	0.3
68.96576	0.5
69.34798	2.5
71.95246	0.5
84.96046	3.2
85.48850	0.3
90.40398	0.3
97.96780	0.4
98.97590	31.5
106.43749	0.3
110.97583	12.2
112.99111	0.5
116.97849	0.6
116.98638	10.3
124.95529	0.4
124.99121	1.5
128.98615	9.2
131.00200	0.6
134.98671	0.4
134.99640	1.7
137.99030	0.5
140.98611	4.5
142.99074	0.7
143.00168	10.0
143.99112	1.3
144.98132	0.4
145.00748	0.6
146.99680	4.2
149.99060	0.5
152.98569	2.8
152.99666	2.0
155.00220	0.5
156.98175	0.4
158.99666	16.1
161.00034	0.3
161.01250	4.8
164.99660	0.8
168.00223	2.4
170.99675	17.2
173.01227	1.0
174.00154	0.9
174.99181	0.6
177.00735	9.3
180.00177	0.9
182.99634	15.0
185.01309	0.7
185.02914	0.6
186.00127	0.5
188.99014	0.7
189.00740	14.4
191.02287	0.7
195.00728	1.3
198.01294	1.8
201.00728	41.5
203.02240	0.6
204.01213	1.2
206.99731	0.3
207.01740	0.9
210.01207	1.7
212.02205	0.4
213.00710	3.5
215.04164	0.3
219.01785	31.2
220.01944	0.3
224.02249	0.6
228.56174	0.3
231.01749	6.2
237.02849	17.8
240.02354	2.7
242.03484	0.4
243.01791	17.9
244.02084	0.3
245.05003	1.4
249.02797	1.2
251.53410	0.4
255.03938	5.5
261.02844	73.6
262.03268	1.0
270.03409	0.7
273.02832	5.7
273.05737	0.3
279.03912	31.4
280.04230	0.5
291.03870	14.1
292.04926	0.4
294.64453	0.3
297.04965	1.1
300.04330	1.3
302.05435	1.9
303.03967	1.0
309.04926	1.7
315.03900	0.7
321.04959	31.1
322.05383	0.5
333.04959	4.2
336.05228	0.4
345.04941	0.7
351.06036	8.7
363.05927	2.5
365.08914	0.4
373.08252	0.7
381.07581	58.5
381.57245	1.0
382.08121	0.8
399.08139	17.6
407.10129	0.4
422.09698	0.5
423.08023	2.2
436.63013	0.3
441.09210	100.0
442.09662	1.8
453.09268	3.5
465.09149	0.4
471.10413	1.4
495.10263	0.7
501.11469	2.3
513.11334	0.8
525.11273	0.7
543.12714	2.2
552.13550	0.6
552.63214	0.4
561.13031	0.4
603.14728	1.4
723.18353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
55.05501	1.0
55.05753	0.3
56.05867	0.3
57.03429	0.6
59.20139	0.3
60.77135	0.2
61.02911	0.3
67.05524	1.4
69.03423	0.6
69.07065	0.5
71.04974	0.4
71.48507	0.4
79.05500	1.2
81.03426	3.5
81.07058	1.7
82.03757	0.5
83.01379	0.2
83.04981	0.3
83.08629	1.0
85.02885	0.6
91.05450	1.3
92.05830	0.3
93.07042	2.2
95.04971	1.5
95.08624	0.9
97.02908	0.4
97.10204	0.4
105.07064	1.0
107.01101	0.4
107.04962	0.8
107.08601	0.8
109.06553	0.4
109.10154	0.6
111.04476	0.3
111.08124	0.5
117.07046	0.4
119.08591	0.7
120.08881	0.3
121.06532	0.6
121.10130	1.2
122.10480	0.5
123.08084	0.7
125.09630	0.3
127.03895	0.4
128.06161	0.3
129.07027	0.9
131.08575	0.5
133.10178	0.6
134.29935	0.3
135.08136	0.3
135.11732	0.7
136.11949	0.3
137.05936	0.6
143.08620	0.2
145.06538	0.5
145.10139	0.7
146.10561	0.3
146.46730	0.2
147.04356	0.4
147.11708	0.4
149.09639	0.6
151.07574	1.1
157.06529	0.4
157.10130	0.5
159.04167	4.3
161.05931	0.3
163.11232	0.8
165.05576	0.6
165.09125	0.4
172.08821	0.6
173.05997	0.5
173.09679	0.4
174.06691	0.3
177.09106	0.4
188.08388	0.8
189.09143	1.0
191.10732	0.3
193.12311	0.4
203.10713	1.2
211.13553	0.3
247.09633	1.9
267.16098	1.4
268.16299	0.7
273.14871	0.3
283.15466	1.1
284.15714	0.4
351.14273	0.8
379.11575	0.6
383.22092	0.6
384.22482	0.4
384.82803	0.3
395.14557	3.0
401.23141	0.6
402.24146	0.3
457.25980	1.1
457.32541	0.3
458.26447	1.2
475.26935	3.6
476.27301	5.8
487.19571	0.4
494.28610	0.5
651.25159	0.3
706.57562	0.3
723.29828	100.0
724.30493	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	723.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01865	3.8
55.05515	23.2
57.03431	5.8
57.78379	2.4
61.02911	4.2
67.05509	43.8
69.03427	6.0
69.07076	13.6
70.06575	6.3
70.75895	5.7
71.04988	6.3
79.05502	26.9
81.03432	16.1
81.07063	39.7
83.04974	6.8
83.08614	11.7
85.02905	5.6
86.09692	8.7
90.98705	2.3
91.05489	35.7
93.07049	28.5
95.04964	9.5
95.08614	27.6
97.06536	9.0
97.10162	10.7
105.04541	2.3
105.07037	33.7
107.04958	5.4
107.08604	19.1
109.06506	6.6
109.10170	19.4
111.08108	4.7
112.86233	2.4
115.05476	3.8
117.07005	14.1
119.08597	28.7
121.06489	4.9
121.10141	12.5
123.08096	3.2
125.09688	5.3
128.06218	3.3
129.07027	16.5
131.08585	26.1
133.10141	15.0
135.11746	6.6
137.09680	4.1
139.11154	2.6
141.07013	5.7
142.07788	4.6
143.08591	16.5
145.10123	21.2
147.11636	13.3
149.09596	4.2
149.13275	6.2
155.08557	10.4
157.10147	15.9
159.11699	13.3
161.09688	3.0
161.13287	8.0
163.11249	2.7
167.07271	2.6
167.08617	7.6
169.10068	11.2
171.11728	12.1
173.13303	9.6
175.14864	3.6
178.14069	2.7
181.10126	9.7
183.11691	13.4
185.13287	10.1
187.14871	3.6
193.12270	7.6
195.11720	7.4
197.13248	6.4
199.14861	4.2
209.13304	8.5
211.13197	5.8
211.14955	4.1
213.16350	3.2
217.26932	2.6
219.11694	2.9
223.14815	5.8
225.16454	4.0
227.12706	5.9
229.14386	7.4
235.14845	3.6
241.19514	4.0
259.20602	9.4
267.15799	6.4
285.17047	5.2
299.20563	2.6
315.23053	3.1
333.24304	8.0
371.25562	3.3
423.32236	3.4
433.31036	16.3
451.32272	13.1
469.33078	6.2
507.34387	6.2
525.35809	47.8
543.36835	100.0
544.37311	5.5
561.37915	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
55.05519	7.6
57.03450	10.5
61.02928	0.7
67.05192	1.0
67.05516	15.4
67.66863	0.6
69.03417	2.3
69.07088	3.2
70.76337	1.3
71.04985	1.9
79.05505	13.0
80.41076	0.8
81.03427	66.7
81.07059	15.7
82.03783	0.9
83.04995	6.9
83.08630	14.1
85.02914	8.4
85.06514	1.0
91.05492	18.5
93.07053	10.3
95.04377	1.4
95.04980	22.0
95.08622	6.6
97.02901	2.8
97.06530	2.5
97.10182	3.8
105.07043	13.5
107.04956	7.3
107.08607	6.4
109.06523	4.2
109.10144	2.6
110.16479	0.6
111.04455	1.5
111.08098	8.7
115.05431	1.3
117.07027	2.4
119.04941	1.3
119.08595	13.4
121.06498	3.4
121.10168	7.2
123.04507	0.8
123.08057	2.6
125.09667	4.1
128.55896	0.8
129.07022	10.8
131.04921	0.9
131.08601	9.6
133.06522	3.2
133.10164	5.7
135.08063	0.9
135.11710	0.7
137.09625	1.4
142.07829	2.0
143.08594	1.1
145.06496	3.7
145.10121	2.1
147.08078	4.5
147.11688	9.5
149.09647	4.5
150.38040	0.8
153.09126	0.7
155.08621	1.0
157.06540	0.9
157.10132	10.8
159.07996	0.7
159.11717	0.8
161.09689	0.7
163.11188	2.6
165.12801	2.1
169.10237	0.8
171.08131	0.8
171.11771	1.1
175.11218	11.1
181.10098	0.7
181.12425	0.7
189.11203	0.9
193.12273	28.9
205.12305	1.0
211.13277	12.7
227.12732	0.9
229.14308	1.3
231.13956	0.7
233.15369	1.2
237.12840	0.7
249.14885	2.5
255.13792	1.4
267.15945	100.0
268.16238	1.8
273.14905	3.6
281.15570	0.7
283.15451	1.0
285.14072	1.1
285.17010	13.2
309.17178	0.8
341.21350	1.6
349.21564	2.1
367.22760	7.9
385.23859	8.4
402.43021	0.7
403.24921	3.1
405.24274	1.0
433.25781	14.4
441.26498	7.8
455.19556	0.7
459.27469	75.6
460.27740	2.3
477.28561	43.9
478.28751	1.4
491.30341	0.7
515.08539	0.9
519.29449	0.9
585.30505	0.9
590.85590	0.9
621.55170	0.7
657.59302	0.7
740.71045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
54.12715	1.7
55.01867	3.9
55.05515	15.1
57.03441	20.6
57.07073	1.7
57.59763	1.3
58.76315	1.4
61.02926	3.9
65.03935	2.5
67.05509	56.7
69.03429	3.1
69.07075	11.4
71.05005	1.8
71.08634	1.8
79.05499	37.2
81.03425	80.5
81.07064	50.0
83.04990	7.4
83.08627	21.7
85.02902	4.4
89.09623	1.6
89.64742	1.4
91.05486	31.2
93.07053	42.5
95.04972	25.8
95.08614	41.5
97.02888	4.0
97.06527	3.3
97.10167	5.3
98.21507	5.0
99.08076	1.9
105.07042	22.1
107.04969	6.7
107.08602	23.2
109.06522	3.6
109.10162	15.4
111.08101	6.9
115.05385	2.2
117.07027	6.2
119.08585	22.0
121.06544	2.8
121.10155	19.9
123.08034	3.3
123.11723	5.2
125.09616	4.5
129.07027	10.0
131.08553	15.6
133.06523	2.7
133.10141	12.7
135.08130	1.8
135.11713	11.6
137.09697	3.4
137.13281	2.5
142.07793	2.3
145.10132	8.3
147.04446	1.9
147.08087	3.2
147.11700	15.0
149.09645	4.8
149.13248	7.1
155.08588	1.7
157.10147	8.6
159.11682	6.8
161.13261	4.2
163.11209	3.8
163.14867	3.1
173.13313	5.5
175.11131	8.5
175.14798	2.0
179.14551	1.4
187.14888	2.3
189.11250	3.2
193.12254	20.2
227.12802	3.2
235.13321	4.3
243.21101	6.1
249.14723	2.8
261.22168	16.8
267.15930	100.0
270.22311	1.7
301.14343	2.3
301.25296	5.1
309.17068	1.6
317.24869	4.2
335.25815	96.2
336.26199	2.2
435.32553	2.6
453.33511	8.6
471.35236	3.5
527.37384	53.4
545.38397	25.3
569.38245	4.4
665.41943	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01864	1.2
55.05277	0.9
55.05516	13.6
57.03439	13.3
57.07067	1.5
57.38349	0.7
61.02913	2.3
65.03927	2.0
67.05505	59.8
69.03412	1.2
69.07071	18.9
71.01337	0.9
71.05000	4.4
73.02905	1.1
79.05495	38.5
81.03408	1.7
81.07058	70.5
83.04987	3.8
83.08618	12.3
85.02912	2.3
85.06535	3.7
91.05484	19.5
93.07046	57.4
95.00170	0.9
95.04988	4.3
95.08611	34.6
97.02906	1.3
97.06532	10.1
97.10157	2.5
98.21600	1.7
99.08088	2.0
105.04491	1.8
105.07032	11.2
107.07878	1.6
107.08595	30.9
109.06509	2.5
109.10157	10.5
111.08094	5.4
117.07041	7.1
119.08588	7.2
121.06530	0.8
121.10143	22.3
123.11720	4.6
131.08568	11.6
133.10136	8.9
135.08092	1.6
135.11678	10.2
139.11154	1.3
145.10139	4.9
147.11710	4.0
149.13258	25.7
157.10117	1.0
159.11684	11.3
161.13268	2.8
163.14796	0.8
167.14247	0.9
173.13297	4.1
175.14868	1.9
177.12775	5.0
179.69954	0.7
187.14758	1.3
195.13786	10.0
219.04385	0.8
243.21071	3.1
261.22205	8.5
267.15912	2.5
269.17493	97.8
270.17838	1.2
289.44736	0.9
317.24670	2.4
335.25793	56.4
336.26242	1.8
437.34396	1.2
475.16879	0.8
496.00488	0.8
529.38898	100.0
530.39404	4.5
547.39661	1.9
567.93878	1.0
684.48383	0.9
726.44989	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	727.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01883	0.8
55.05518	1.2
57.03443	1.6
59.05014	0.5
61.02929	4.3
65.25556	0.4
67.05508	3.0
68.79154	0.5
69.03432	2.6
69.07074	1.6
70.96179	1.3
71.05006	1.9
73.02923	2.8
79.05516	3.2
81.03415	6.2
81.07069	4.1
83.04982	1.5
83.08643	1.5
85.02907	4.9
90.19887	0.5
91.03955	2.7
91.05482	3.2
93.07038	3.4
95.04988	1.8
95.08624	2.4
97.02895	4.4
97.06548	1.0
97.10204	0.5
97.33352	0.5
99.04495	1.2
100.99126	0.5
101.02383	1.2
103.03992	0.5
105.07033	3.1
106.69144	0.5
107.04969	2.5
107.08620	2.0
109.02900	0.8
109.06573	1.5
109.10197	1.5
111.08111	0.8
115.05472	0.7
117.07047	1.3
119.08621	1.8
121.06552	1.7
121.10191	2.1
123.08111	1.4
125.09660	0.5
127.03966	1.2
128.06203	0.8
129.07021	1.9
131.04955	1.0
131.08609	1.5
133.10187	0.9
135.04430	0.5
135.11746	0.7
136.05226	1.5
137.05998	6.4
137.09622	0.9
143.05045	0.6
143.08575	0.9
145.06596	1.4
145.10190	1.2
146.07248	0.6
147.11671	1.2
149.09644	1.9
151.04007	0.6
151.07547	17.5
152.07881	0.6
157.06586	1.4
157.10202	1.5
158.07326	1.7
159.08151	1.3
161.06053	0.6
163.03882	0.7
163.11180	2.3
165.05574	1.3
165.09103	2.2
167.07047	0.4
171.08136	0.6
172.08821	3.5
173.05957	2.5
174.06697	2.2
175.07555	1.2
175.11282	0.7
177.09207	1.6
187.07437	0.8
188.08348	6.2
189.09131	4.8
191.10789	0.7
193.12253	1.1
199.76480	0.5
201.09114	2.7
203.10686	7.0
211.13268	0.6
219.10146	0.6
225.14888	0.6
243.08435	2.7
247.09688	13.5
249.11072	0.7
267.15976	0.9
271.06229	0.7
271.09747	0.6
283.15192	4.4
339.18011	1.2
448.27789	0.5
461.36682	1.1
467.18979	9.0
468.19644	0.7
501.23129	9.4
507.16354	0.8
525.17682	1.1
565.29791	0.7
697.26923	1.1
709.26294	0.6
727.35358	100.0
728.36005	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
57.03436	0.2
63.02389	0.5
67.05505	0.4
69.03435	0.4
69.07085	0.2
69.31783	1.0
71.04977	0.2
73.02898	0.1
78.04729	0.6
79.05502	0.5
81.03421	1.4
81.07058	0.5
83.04967	0.2
83.08593	0.2
85.02917	0.9
89.03922	6.3
91.05487	1.0
93.07060	0.6
95.04983	0.3
95.08656	0.3
97.02894	0.4
99.04465	0.3
103.05476	0.4
105.07056	0.4
106.04213	0.3
107.04951	0.2
107.08572	0.3
109.02904	0.4
109.10164	0.2
117.03391	18.8
119.04946	0.2
119.08628	0.3
121.06509	0.5
122.03653	0.2
123.11813	0.2
125.45212	0.1
127.03901	0.3
131.04980	0.4
131.08549	0.2
133.10088	0.2
134.03653	1.3
135.04456	1.0
137.05994	6.6
145.02859	46.7
146.03186	0.5
146.07275	0.1
147.04414	0.9
149.05995	6.9
151.07541	1.2
158.06027	0.3
162.03156	0.3
163.03883	0.6
163.11201	0.2
165.05450	0.2
165.09137	0.2
167.06888	0.2
177.05486	100.0
178.05841	1.0
178.14268	0.1
186.05533	1.9
189.09111	0.2
195.06532	1.0
205.29491	0.2
219.10120	0.2
237.11249	0.4
247.09825	0.2
262.10147	0.2
263.10867	0.2
271.09619	0.3
295.53073	0.2
305.11765	0.7
321.09833	1.2
323.12747	0.4
337.14392	0.3
339.10785	2.0
355.15436	2.1
373.16446	2.4
467.19250	0.2
475.17294	0.2
493.18063	0.2
501.22971	0.2
502.23596	0.2
551.60065	0.2
623.45880	0.2
693.26056	0.1
711.27686	0.4
728.35712	3.0
729.35382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01878	4.2
55.05517	8.9
57.03442	7.1
57.07063	1.5
60.65002	0.8
60.79110	0.8
61.02924	1.4
63.61931	0.8
65.03933	1.7
67.05510	39.6
69.03432	2.1
69.07069	11.4
70.64095	1.3
70.64465	1.3
71.04997	3.1
73.02885	0.8
76.34098	0.6
77.02364	0.6
79.05494	20.8
81.03424	3.0
81.07059	41.1
83.04992	5.6
83.08620	3.3
85.02904	1.1
85.06541	4.9
86.09711	3.5
91.05485	27.2
93.07051	21.8
95.04993	3.1
95.08612	17.1
97.02886	1.3
97.06512	2.8
97.10148	1.3
99.04459	1.6
99.08086	1.2
101.95927	0.7
105.07042	22.7
107.04999	0.8
107.08598	25.0
109.06539	3.1
109.10161	41.2
113.05999	1.5
117.07012	2.7
119.08578	5.6
121.10135	7.0
123.08066	1.4
123.11709	7.8
124.99973	2.2
127.07552	2.1
131.08533	4.4
133.10139	42.9
135.11700	4.7
137.13287	1.2
143.08559	0.8
145.10110	1.8
147.11716	1.7
149.13254	1.9
151.11194	22.8
159.11691	1.6
161.09651	1.5
161.13255	2.0
163.14763	1.4
169.12224	4.0
173.13258	2.0
179.10690	0.9
184.07336	7.1
187.14752	0.7
215.12840	2.2
220.45428	0.7
243.21104	2.0
253.14363	100.0
253.88583	0.7
254.14586	1.6
261.22147	9.5
271.15411	26.1
317.24704	1.5
335.25821	42.9
421.31070	0.9
439.32016	1.2
457.33069	1.4
513.35846	7.8
531.36847	50.5
532.36945	1.4
549.37860	1.2
618.76453	0.8
632.62579	0.7
728.45306	1.0
734.93201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01878	4.2
55.05517	8.9
57.03442	7.1
57.07063	1.5
60.65002	0.8
60.79110	0.8
61.02924	1.4
63.61931	0.8
65.03933	1.7
67.05510	39.6
69.03432	2.1
69.07069	11.4
70.64095	1.3
70.64465	1.3
71.04997	3.1
73.02885	0.8
76.34098	0.6
77.02364	0.6
79.05494	20.8
81.03424	3.0
81.07059	41.1
83.04992	5.6
83.08620	3.3
85.02904	1.1
85.06541	4.9
86.09711	3.5
91.05485	27.2
93.07051	21.8
95.04993	3.1
95.08612	17.1
97.02886	1.3
97.06512	2.8
97.10148	1.3
99.04459	1.6
99.08086	1.2
101.95927	0.7
105.07042	22.7
107.04999	0.8
107.08598	25.0
109.06539	3.1
109.10161	41.2
113.05999	1.5
117.07012	2.7
119.08578	5.6
121.10135	7.0
123.08066	1.4
123.11709	7.8
124.99973	2.2
127.07552	2.1
131.08533	4.4
133.10139	42.9
135.11700	4.7
137.13287	1.2
143.08559	0.8
145.10110	1.8
147.11716	1.7
149.13254	1.9
151.11194	22.8
159.11691	1.6
161.09651	1.5
161.13255	2.0
163.14763	1.4
169.12224	4.0
173.13258	2.0
179.10690	0.9
184.07336	7.1
187.14752	0.7
215.12840	2.2
220.45428	0.7
243.21104	2.0
253.14363	100.0
253.88583	0.7
254.14586	1.6
261.22147	9.5
271.15411	26.1
317.24704	1.5
335.25821	42.9
421.31070	0.9
439.32016	1.2
457.33069	1.4
513.35846	7.8
531.36847	50.5
532.36945	1.4
549.37860	1.2
618.76453	0.8
632.62579	0.7
728.45306	1.0
734.93201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01885	1.3
55.05507	1.3
57.03419	1.0
57.61702	0.7
65.03939	9.9
67.05486	2.2
69.03418	4.4
69.07067	4.1
71.04985	1.5
78.04698	2.0
79.05494	7.9
81.03419	2.6
81.07047	4.5
82.04192	2.1
83.04977	9.7
85.02890	5.5
87.04472	0.7
87.21109	0.6
87.81879	0.7
89.03890	0.6
91.05479	9.2
93.03409	10.4
93.07049	2.9
95.01331	2.1
95.04983	4.6
95.08591	1.0
97.02903	2.7
97.06535	10.2
99.04440	3.2
102.04675	0.7
103.05470	2.4
105.04552	0.9
105.07040	13.7
107.04967	7.5
107.08583	2.4
108.02111	1.7
109.02888	1.3
109.06526	3.7
110.03658	11.8
111.04440	10.3
115.05462	3.0
117.07014	3.0
118.04152	1.2
119.04951	5.5
119.08568	3.1
121.02825	0.7
121.06507	6.7
121.10124	1.1
122.03652	1.0
123.04440	4.6
124.05222	1.5
125.05987	29.8
127.03912	1.6
128.06229	2.0
129.06981	6.4
130.07768	1.4
131.04956	4.0
131.08585	3.8
132.05713	1.2
133.02835	2.8
133.06461	5.0
134.03662	0.8
135.04439	1.7
135.08038	1.2
136.05190	1.1
137.05981	14.1
138.03148	1.1
140.96371	0.8
141.07010	1.6
143.04935	0.9
143.07039	11.5
143.08574	1.2
144.05727	1.7
145.06468	3.4
145.10127	14.5
146.07156	1.0
147.04431	5.0
147.08035	2.8
147.11717	0.8
149.05972	2.5
151.03976	1.0
151.07523	4.4
152.04689	1.3
153.05466	69.0
155.04933	0.9
155.08525	1.1
156.05692	0.9
157.06552	1.3
158.07266	2.1
159.08037	8.8
159.11658	4.1
160.05128	1.2
161.05983	7.4
161.09605	1.1
163.03946	0.9
163.07561	1.4
163.11151	3.8
165.05466	1.8
165.06990	1.1
167.07042	41.6
169.10103	1.3
171.04448	0.8
171.08044	0.7
172.05164	2.0
172.08759	0.8
173.06000	1.5
173.09645	11.1
175.07533	10.3
177.05461	1.9
177.09131	0.7
177.12727	2.7
178.07753	2.8
179.07037	4.8
179.08542	1.5
181.04951	1.0
184.05226	0.9
185.05965	1.9
186.06766	2.8
187.07530	10.7
187.11163	9.7
189.05461	3.6
189.06996	2.7
189.08968	1.4
190.07831	2.3
191.07025	4.0
191.08725	3.5
191.10541	4.3
192.09222	0.7
193.06473	1.9
197.09633	1.3
198.06750	0.8
199.07588	6.2
201.05566	0.8
202.07799	3.6
203.06920	1.1
203.08556	4.1
204.09178	0.9
205.06482	2.4
205.10332	0.8
205.12228	9.1
206.07323	3.0
207.06450	1.3
207.08139	2.4
208.08781	1.3
209.09904	0.8
209.11775	2.4
214.06227	1.1
215.06958	3.5
215.10614	10.5
216.07780	7.9
216.09451	0.8
217.06592	1.0
217.08510	1.1
218.07263	4.4
219.08072	8.8
220.08807	4.8
221.06042	2.1
221.09663	3.3
221.11459	0.7
229.06465	1.2
229.08527	6.8
230.07213	1.3
231.08012	3.6
232.05293	0.9
232.08829	1.6
233.05995	2.6
233.09566	2.8
233.11691	13.0
234.06773	3.3
235.07571	6.3
236.08348	5.4
237.09065	2.4
239.07071	0.8
243.08167	1.1
245.06017	1.0
246.06754	2.6
247.07564	7.2
248.08389	5.7
249.05507	1.5
249.09111	6.2
250.06258	1.2
250.09808	1.8
251.07028	2.3
251.10648	10.6
251.12868	4.7
253.08597	1.1
259.07559	2.6
260.08167	1.6
261.05463	2.9
261.09045	4.1
262.06387	1.8
262.09903	0.9
263.07022	2.8
263.10617	2.2
264.07828	10.4
265.08609	11.4
266.09308	1.7
269.13733	1.2
273.09048	1.2
274.06265	1.3
275.06976	3.3
276.07852	8.5
277.08542	7.8
278.09351	5.2
279.06900	1.2
279.10065	7.0
280.10873	1.8
281.08304	1.3
281.11765	3.1
286.06305	0.7
287.07144	0.7
289.05191	0.9
289.08392	3.2
290.09384	2.7
291.06830	1.4
291.10135	4.4
292.07205	2.2
292.10818	1.5
293.08109	5.3
293.11655	2.3
294.08701	1.4
295.09622	1.1
304.07248	1.8
305.08023	2.5
305.11569	1.1
306.08920	1.9
307.09628	34.1
308.10416	8.6
309.07806	1.1
309.11057	5.2
311.12766	2.2
319.09604	8.9
320.10397	2.1
321.11142	4.8
323.09695	0.8
323.12921	6.4
324.09811	1.8
336.09729	1.2
336.13522	1.3
337.10773	1.9
339.12268	100.0
340.12753	2.9
341.13837	10.3
351.12250	36.2
352.13037	1.8
353.13873	4.8
369.13379	3.1
371.15088	0.8
372.47589	0.8
377.15872	1.9
395.17191	3.4
413.17874	4.9
499.17374	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01885	1.3
55.05507	1.3
57.03419	1.0
57.61702	0.7
65.03939	9.9
67.05486	2.2
69.03418	4.4
69.07067	4.1
71.04985	1.5
78.04698	2.0
79.05494	7.9
81.03419	2.6
81.07047	4.5
82.04192	2.1
83.04977	9.7
85.02890	5.5
87.04472	0.7
87.21109	0.6
87.81879	0.7
89.03890	0.6
91.05479	9.2
93.03409	10.4
93.07049	2.9
95.01331	2.1
95.04983	4.6
95.08591	1.0
97.02903	2.7
97.06535	10.2
99.04440	3.2
102.04675	0.7
103.05470	2.4
105.04552	0.9
105.07040	13.7
107.04967	7.5
107.08583	2.4
108.02111	1.7
109.02888	1.3
109.06526	3.7
110.03658	11.8
111.04440	10.3
115.05462	3.0
117.07014	3.0
118.04152	1.2
119.04951	5.5
119.08568	3.1
121.02825	0.7
121.06507	6.7
121.10124	1.1
122.03652	1.0
123.04440	4.6
124.05222	1.5
125.05987	29.8
127.03912	1.6
128.06229	2.0
129.06981	6.4
130.07768	1.4
131.04956	4.0
131.08585	3.8
132.05713	1.2
133.02835	2.8
133.06461	5.0
134.03662	0.8
135.04439	1.7
135.08038	1.2
136.05190	1.1
137.05981	14.1
138.03148	1.1
140.96371	0.8
141.07010	1.6
143.04935	0.9
143.07039	11.5
143.08574	1.2
144.05727	1.7
145.06468	3.4
145.10127	14.5
146.07156	1.0
147.04431	5.0
147.08035	2.8
147.11717	0.8
149.05972	2.5
151.03976	1.0
151.07523	4.4
152.04689	1.3
153.05466	69.0
155.04933	0.9
155.08525	1.1
156.05692	0.9
157.06552	1.3
158.07266	2.1
159.08037	8.8
159.11658	4.1
160.05128	1.2
161.05983	7.4
161.09605	1.1
163.03946	0.9
163.07561	1.4
163.11151	3.8
165.05466	1.8
165.06990	1.1
167.07042	41.6
169.10103	1.3
171.04448	0.8
171.08044	0.7
172.05164	2.0
172.08759	0.8
173.06000	1.5
173.09645	11.1
175.07533	10.3
177.05461	1.9
177.09131	0.7
177.12727	2.7
178.07753	2.8
179.07037	4.8
179.08542	1.5
181.04951	1.0
184.05226	0.9
185.05965	1.9
186.06766	2.8
187.07530	10.7
187.11163	9.7
189.05461	3.6
189.06996	2.7
189.08968	1.4
190.07831	2.3
191.07025	4.0
191.08725	3.5
191.10541	4.3
192.09222	0.7
193.06473	1.9
197.09633	1.3
198.06750	0.8
199.07588	6.2
201.05566	0.8
202.07799	3.6
203.06920	1.1
203.08556	4.1
204.09178	0.9
205.06482	2.4
205.10332	0.8
205.12228	9.1
206.07323	3.0
207.06450	1.3
207.08139	2.4
208.08781	1.3
209.09904	0.8
209.11775	2.4
214.06227	1.1
215.06958	3.5
215.10614	10.5
216.07780	7.9
216.09451	0.8
217.06592	1.0
217.08510	1.1
218.07263	4.4
219.08072	8.8
220.08807	4.8
221.06042	2.1
221.09663	3.3
221.11459	0.7
229.06465	1.2
229.08527	6.8
230.07213	1.3
231.08012	3.6
232.05293	0.9
232.08829	1.6
233.05995	2.6
233.09566	2.8
233.11691	13.0
234.06773	3.3
235.07571	6.3
236.08348	5.4
237.09065	2.4
239.07071	0.8
243.08167	1.1
245.06017	1.0
246.06754	2.6
247.07564	7.2
248.08389	5.7
249.05507	1.5
249.09111	6.2
250.06258	1.2
250.09808	1.8
251.07028	2.3
251.10648	10.6
251.12868	4.7
253.08597	1.1
259.07559	2.6
260.08167	1.6
261.05463	2.9
261.09045	4.1
262.06387	1.8
262.09903	0.9
263.07022	2.8
263.10617	2.2
264.07828	10.4
265.08609	11.4
266.09308	1.7
269.13733	1.2
273.09048	1.2
274.06265	1.3
275.06976	3.3
276.07852	8.5
277.08542	7.8
278.09351	5.2
279.06900	1.2
279.10065	7.0
280.10873	1.8
281.08304	1.3
281.11765	3.1
286.06305	0.7
287.07144	0.7
289.05191	0.9
289.08392	3.2
290.09384	2.7
291.06830	1.4
291.10135	4.4
292.07205	2.2
292.10818	1.5
293.08109	5.3
293.11655	2.3
294.08701	1.4
295.09622	1.1
304.07248	1.8
305.08023	2.5
305.11569	1.1
306.08920	1.9
307.09628	34.1
308.10416	8.6
309.07806	1.1
309.11057	5.2
311.12766	2.2
319.09604	8.9
320.10397	2.1
321.11142	4.8
323.09695	0.8
323.12921	6.4
324.09811	1.8
336.09729	1.2
336.13522	1.3
337.10773	1.9
339.12268	100.0
340.12753	2.9
341.13837	10.3
351.12250	36.2
352.13037	1.8
353.13873	4.8
369.13379	3.1
371.15088	0.8
372.47589	0.8
377.15872	1.9
395.17191	3.4
413.17874	4.9
499.17374	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
54.46817	0.5
55.01862	2.0
55.94164	0.5
57.03429	0.8
57.13374	0.5
57.67188	0.5
61.02916	1.2
65.03941	4.7
67.05480	1.2
69.03425	4.3
69.27119	3.9
69.27528	1.0
71.62110	0.5
77.03914	0.7
78.04703	3.1
79.05500	4.2
81.01725	0.6
81.03410	2.1
81.07018	0.8
85.02908	7.4
91.05483	9.3
93.03413	4.7
94.04185	1.1
95.01315	0.6
95.04947	1.3
97.02364	0.5
97.02881	2.7
103.05469	5.0
105.07034	7.2
106.04160	1.1
107.04962	7.8
109.02898	1.3
109.06496	0.7
110.03668	5.1
111.04456	4.8
115.05458	4.1
117.07010	1.4
118.04140	1.8
119.04967	7.3
119.08552	2.8
121.02864	0.6
121.06504	1.1
122.03643	1.3
123.04414	6.3
124.05214	2.5
125.05990	8.7
127.03890	1.3
128.06245	3.0
129.06993	5.5
130.04135	0.9
131.04924	5.9
132.05724	3.5
133.02849	3.7
133.06482	5.3
134.03676	0.8
135.04373	0.7
136.05219	0.8
137.05994	10.8
138.03075	0.7
139.05460	0.6
141.07002	1.0
144.05673	1.6
145.06496	2.4
147.04414	7.6
147.08060	4.5
148.05190	1.1
149.05965	1.7
151.03915	2.3
151.07558	2.7
152.04666	1.7
153.05473	32.8
155.04922	1.1
156.05722	1.1
157.06487	1.2
159.08025	6.9
160.05199	2.4
161.05980	8.7
162.06818	0.6
163.03955	1.0
163.07504	2.1
165.05597	1.3
165.06992	1.0
167.07040	100.0
168.07370	0.8
169.06497	1.8
171.04419	1.3
171.08035	1.2
172.05223	1.7
173.05978	0.8
173.77361	0.5
175.07549	32.8
176.04622	2.2
176.06125	0.6
176.08057	0.9
177.05443	1.9
177.09085	0.8
178.07838	1.1
179.07048	10.5
179.08557	1.2
181.04996	0.8
183.06557	1.1
184.05209	1.8
185.05988	1.6
186.06735	2.1
187.07542	16.9
187.11095	0.7
189.05469	4.8
189.07042	1.8
189.09090	1.3
190.06293	0.6
190.07715	2.6
191.07031	15.1
191.08586	3.3
193.08606	7.2
193.10248	0.8
194.07220	0.8
198.06775	0.6
199.07552	12.2
201.05753	0.6
201.09085	3.8
202.07721	3.5
203.07008	0.7
203.08626	4.9
204.09406	1.1
205.06592	2.7
205.10098	0.9
206.07265	2.5
207.06485	1.5
207.08090	1.3
208.08836	0.9
209.06018	0.5
215.06950	1.4
215.08856	2.6
216.07834	3.6
217.06528	1.1
217.08401	0.7
218.07260	5.0
219.08076	6.5
220.08826	3.9
221.05905	1.7
221.09579	2.5
222.06718	0.8
223.07562	0.9
225.09210	0.7
229.06595	0.8
229.08583	3.0
230.07231	1.2
231.08060	6.0
232.08806	2.6
233.06073	3.1
233.09641	3.8
234.06793	2.9
235.07590	5.1
235.11255	0.6
236.08215	3.4
237.09053	2.2
239.07204	0.7
242.07625	0.6
243.07999	0.9
245.06047	1.6
246.06889	3.1
247.07542	6.3
248.08325	6.2
249.05504	1.2
249.09106	6.1
250.06226	1.1
250.09935	1.4
251.07074	2.3
251.10678	6.9
252.07877	0.7
258.06723	1.5
259.07547	4.0
260.08307	3.1
261.05588	3.6
261.09116	6.6
262.06229	1.2
262.09875	1.9
263.07065	3.4
263.10562	2.8
264.07843	5.9
265.08606	9.0
265.11752	0.9
266.09424	1.4
273.05414	0.7
273.09134	1.7
274.06281	1.9
275.07050	4.3
276.07773	9.5
277.08533	6.3
278.09427	4.2
279.06949	1.0
279.10162	4.9
280.10806	1.3
281.08212	2.0
281.11765	3.6
287.06915	1.0
288.07736	2.5
289.08551	7.8
290.09293	3.9
291.06705	1.6
291.10181	6.4
292.07233	1.6
292.10611	1.0
293.08087	6.4
293.11624	2.9
294.08826	1.3
295.09601	1.4
301.08600	1.8
303.10214	0.8
304.07428	3.0
305.08102	4.0
306.08893	2.4
307.09619	18.1
308.10403	7.2
309.11160	6.5
310.11905	0.7
311.12784	5.2
318.08865	0.8
319.09641	20.6
320.10452	3.8
321.07703	1.1
321.11230	8.7
322.11942	0.9
323.09424	1.2
323.12814	8.0
324.09924	1.1
325.14389	1.3
326.11609	1.1
333.11261	0.8
336.09839	2.0
336.13522	1.1
337.10623	2.5
338.11429	0.8
339.12277	59.4
340.12628	1.6
341.13831	11.9
351.12274	58.6
352.12717	1.8
353.13815	11.2
355.15396	1.9
369.13235	6.5
421.05914	0.7
499.17349	0.9
556.67017	0.6
753.45764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01860	1.6
57.03431	1.2
61.02924	1.2
63.02362	0.5
65.03938	4.9
67.05503	1.3
69.03411	3.6
71.01349	0.4
71.04991	0.4
71.06409	1.0
78.04706	2.4
79.05494	5.1
81.03402	1.9
81.07060	1.0
83.04967	0.7
85.02914	6.3
87.04441	0.5
89.03939	0.6
89.34113	0.5
91.05479	8.4
93.03387	3.3
93.07046	0.9
94.04149	0.6
95.01349	0.6
95.04977	1.7
97.02866	2.6
99.04442	1.0
99.35507	0.5
103.05466	4.2
104.06285	0.6
105.03393	0.6
105.07027	6.5
106.04170	1.5
107.04961	8.0
107.08566	0.6
109.02889	0.7
109.06493	0.6
110.03658	4.8
111.04449	4.2
115.05442	5.0
116.06260	0.9
117.07018	2.7
118.04152	1.9
119.04945	5.6
119.08583	3.5
121.02888	0.5
121.06474	1.5
122.03615	1.4
123.04423	5.7
124.05227	2.5
125.05985	6.6
127.03925	0.9
128.06212	3.4
129.06999	4.9
130.04141	1.0
131.04932	5.0
132.05711	3.5
133.02870	2.6
133.06509	5.5
134.03625	0.5
135.04393	1.3
136.05208	0.9
137.05978	11.5
141.06960	1.9
143.04953	1.1
143.06023	0.5
144.05711	1.7
145.06482	2.6
145.10190	0.7
146.03595	0.7
147.04431	7.3
147.08054	4.7
148.05208	0.9
149.05989	2.5
151.03915	2.4
151.07558	2.5
152.04648	1.7
153.05464	25.4
155.04926	0.7
156.05685	1.3
157.06471	1.0
159.08058	6.9
160.05193	3.3
161.06000	7.6
163.03894	1.8
163.07550	2.2
165.05482	1.4
167.07039	100.0
168.05724	0.8
168.07358	0.7
169.06479	2.1
171.04353	0.8
171.08037	1.6
172.05214	1.7
173.05960	1.5
173.09576	1.0
175.07545	38.0
176.04671	2.1
176.07886	0.7
177.05513	1.6
177.06935	0.5
177.09142	0.8
178.06305	0.6
178.07800	1.3
179.07036	8.1
179.08531	1.2
181.04947	1.4
181.06438	0.8
181.08638	0.6
183.06516	0.9
184.05194	1.4
185.05943	1.2
186.06741	1.6
187.07542	18.0
187.11165	0.7
189.05458	3.3
189.07021	1.9
189.09106	1.7
190.07709	2.4
191.07042	14.3
191.08600	2.8
193.08612	11.2
193.10301	0.9
195.08063	0.5
199.07533	12.2
201.05455	0.7
201.09100	4.7
202.07701	3.7
203.08577	3.6
204.09210	0.9
205.06477	3.0
205.08493	0.9
205.10403	0.5
205.12215	0.7
206.07352	2.4
207.06467	2.3
207.08112	1.1
208.08850	1.1
209.06049	0.6
209.08022	1.0
211.07610	0.5
214.06174	0.6
215.06941	1.7
215.08780	2.2
216.07788	2.6
217.06566	1.0
217.08577	0.8
218.07271	4.5
219.08057	7.0
220.05215	0.5
220.08904	3.2
221.05988	1.2
221.09630	3.5
223.07494	0.9
223.11095	0.6
229.06587	0.8
229.08482	2.4
230.07329	1.1
231.08067	6.3
232.08817	2.0
233.06003	3.2
233.09604	4.1
233.11728	0.8
234.06740	3.6
234.10231	0.7
235.07570	4.6
236.08293	2.9
237.09081	1.7
243.08052	1.7
245.05980	0.9
245.09688	0.7
246.06808	3.1
247.07588	4.7
248.08325	4.8
248.87047	0.4
249.05370	1.0
249.09082	5.3
250.06349	0.7
250.09863	1.9
251.07108	2.4
251.10612	5.1
253.08534	1.4
257.05975	0.9
258.06827	1.3
259.07532	3.6
260.08374	3.1
261.05533	3.0
261.09164	5.5
262.06296	1.6
262.09808	1.8
263.07028	1.8
263.10852	2.4
264.07837	5.2
265.08563	8.2
266.09335	0.7
273.05658	0.8
273.09055	1.7
274.06238	1.3
275.07010	3.8
275.10110	0.7
276.07819	10.5
277.08603	6.3
278.05994	1.1
278.09384	4.0
279.06671	1.2
279.10162	4.4
280.07404	0.8
280.10812	1.1
281.08383	1.1
281.11768	4.5
287.06973	0.9
288.07852	2.0
289.08560	5.7
290.09317	3.6
291.06528	1.7
291.10159	6.9
292.07233	2.1
292.10788	1.4
293.08102	4.5
293.11642	2.1
294.08789	1.4
295.09705	0.9
295.13327	0.6
301.08551	1.6
303.09995	0.5
304.07321	2.8
305.08133	3.3
306.08850	2.7
307.09647	14.0
308.10355	5.4
309.07715	1.0
309.11133	6.0
311.09399	0.8
311.12802	4.3
319.09647	17.4
320.10416	3.8
321.07687	0.6
321.11182	9.4
322.11865	1.2
323.09314	0.9
323.12814	6.0
324.10025	0.7
325.14359	1.4
326.11426	1.4
335.09052	0.5
336.09869	1.3
336.13620	1.1
337.10687	2.1
337.14261	0.7
338.11551	1.0
339.12265	44.8
340.12628	1.3
341.13852	14.0
351.12262	52.5
352.12674	2.2
353.13834	13.8
355.15509	2.3
369.13345	8.7
381.13611	0.7
387.14435	1.1
421.05569	0.7
481.16745	0.6
489.19000	1.0
501.19223	0.6
549.19659	0.6
729.26398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00087	1.5
64.81028	1.5
65.03928	1.6
65.06190	1.7
66.46674	1.3
67.05494	2.5
69.07066	2.1
69.34793	10.1
69.35215	3.0
79.05496	1.9
81.03425	10.5
81.07053	2.8
83.04946	2.1
84.98123	1.5
91.05484	4.8
91.49779	1.4
93.07040	3.0
94.04159	1.9
98.20708	2.9
103.05469	4.0
105.07005	2.2
107.04961	4.7
108.05733	2.3
115.05432	3.6
117.07024	3.7
119.08558	1.8
121.06514	2.7
122.03649	7.4
128.06244	2.2
129.07062	7.6
131.04938	7.0
131.08562	1.7
135.04376	3.0
136.05206	3.1
137.05994	100.0
143.04857	3.4
144.05708	2.3
145.06470	4.5
149.06104	1.9
151.03966	4.0
151.07558	90.5
152.07921	1.9
157.06514	7.5
158.07292	9.0
160.05214	6.6
163.07533	3.3
165.05359	1.7
165.09166	5.2
167.33449	2.1
171.07977	1.9
172.08858	4.5
173.05992	2.5
174.06766	17.9
175.07559	33.6
177.09114	5.5
187.07582	14.7
188.08321	6.1
189.09125	57.4
191.06967	2.3
199.07648	2.9
201.09148	25.6
203.10635	11.0
205.08649	7.8
211.07574	5.7
213.09079	1.9
215.10693	2.1
217.08630	4.2
219.10217	10.5
221.09573	3.0
227.07069	2.1
231.08092	2.2
231.10130	3.7
233.09641	2.1
235.09569	2.8
239.07033	5.3
241.08646	4.3
248.08220	2.2
249.11192	5.7
254.09424	3.2
255.10118	4.4
257.08249	2.7
259.09586	2.2
260.08273	2.3
261.09146	2.2
263.10641	1.7
269.07993	2.3
270.08951	2.3
271.09631	8.2
277.08569	4.6
279.10187	2.4
283.09677	5.5
284.10342	3.5
291.10175	6.7
297.11011	1.8
305.11765	3.1
307.09464	2.9
309.11224	6.7
321.11038	5.8
327.10617	1.6
347.12756	2.2
353.11801	2.0
359.12637	2.5
372.09842	3.0
373.10944	1.9
375.12344	1.9
387.12399	2.7
395.12979	2.1
399.11993	2.4
405.13303	2.5
407.13834	1.8
410.11401	1.9
417.13654	2.6
423.12399	2.3
425.13611	2.8
429.13687	2.8
433.16324	1.8
435.12024	1.9
439.15146	2.2
445.16129	2.0
447.16403	1.7
454.22174	1.7
457.16641	3.8
469.16022	2.1
471.18231	3.8
475.17078	3.8
479.16910	2.1
491.17084	15.0
493.18179	3.0
505.18118	2.0
513.19312	1.8
527.21021	3.1
531.20215	2.6
543.20844	2.4
545.21979	1.7
552.17633	6.3
579.19421	1.8
604.20361	2.0
605.20667	2.4
622.21686	4.8
640.23090	32.1
641.23694	8.8
653.23376	2.5
661.24384	4.8
662.25610	2.1
675.25818	4.3
681.26715	2.9
693.26978	15.3
711.28137	9.0
728.82904	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01863	1.1
65.03936	0.9
66.04712	1.2
67.05483	0.8
70.09989	2.7
79.05491	2.6
80.06227	0.8
81.03387	1.2
81.07043	1.6
85.02904	0.7
91.05488	7.1
93.07035	1.5
94.04202	5.0
95.04990	1.3
95.08635	1.0
103.05483	7.3
105.07042	1.5
107.04972	5.8
107.08563	0.9
108.05727	1.6
109.06519	1.3
109.10155	0.8
115.05431	3.5
117.07065	3.7
119.04935	1.3
119.08532	0.8
121.06511	4.9
121.10177	0.6
122.03664	10.3
123.04472	1.1
128.06230	0.8
129.06989	3.3
131.04944	14.3
131.08551	1.1
133.06461	1.0
135.04408	4.0
135.08087	1.1
136.05220	3.4
137.05988	100.0
144.05733	1.1
145.06458	5.1
146.03651	0.7
146.07280	9.4
147.04408	1.0
147.08063	2.0
149.06035	2.5
149.09627	0.7
151.07555	81.3
152.06165	0.9
153.07062	1.7
155.08458	0.8
157.06502	3.8
158.07361	1.2
159.08041	2.1
160.05186	4.0
161.05983	3.4
162.06781	2.2
163.07539	6.6
165.05539	1.4
165.07011	2.2
165.09102	3.3
168.05757	1.7
169.06560	1.2
171.08124	0.8
172.08833	2.4
173.05986	1.9
174.06767	2.8
175.07571	11.2
175.96706	0.8
176.08278	0.9
177.05499	2.7
177.09113	22.3
177.10686	1.1
179.07091	1.7
179.08450	1.4
181.06526	2.5
182.07323	2.1
183.08047	1.5
185.06047	0.9
187.07533	11.0
188.08304	2.3
189.05565	0.8
189.09122	8.9
191.07040	0.9
191.08723	1.0
191.10597	1.9
193.06528	2.6
194.07242	1.4
195.07962	1.6
196.05228	1.8
196.08943	0.8
197.06044	1.6
197.09610	1.2
198.06836	2.5
199.07603	1.4
201.09090	1.7
203.06982	1.0
203.10654	4.0
205.06529	1.9
205.08626	1.9
207.08092	2.7
208.08861	0.7
209.06001	1.5
209.09674	1.0
210.06787	2.7
211.07574	13.0
212.08269	1.2
213.05403	2.5
213.09125	2.3
217.08545	1.6
219.08115	2.3
221.06017	1.7
221.09453	0.9
222.06789	2.2
223.07533	1.6
224.04745	0.9
224.08290	1.3
225.05409	1.1
225.09114	3.8
226.06232	3.3
227.06976	2.3
228.07878	3.0
231.10199	1.5
233.05969	1.1
234.06709	1.3
235.07538	3.5
235.09645	0.7
236.08215	0.7
237.09125	2.6
238.06248	1.2
239.07063	25.4
239.10672	1.5
240.07851	2.1
241.04919	1.0
241.08629	11.0
243.10207	0.8
245.05760	0.7
247.07571	2.2
247.09724	1.8
248.08372	1.9
249.09171	1.6
250.06233	1.3
251.07002	1.5
251.10753	0.8
252.07759	1.3
253.08627	14.3
254.09357	1.0
255.06543	2.0
255.10175	1.6
256.07260	3.6
257.08023	1.6
259.07364	1.2
259.09726	2.2
260.08398	1.2
261.09192	3.1
262.09637	0.9
263.07080	2.1
263.10632	1.7
264.07962	2.7
265.08597	11.4
267.06546	1.2
267.10205	1.9
269.08127	2.9
270.08908	1.8
271.09665	45.4
273.11389	4.1
275.07233	1.0
275.10867	0.8
276.07855	2.0
277.08566	4.5
278.09418	1.7
279.10132	5.6
280.07312	0.8
281.08157	3.0
281.11496	1.0
282.08722	0.7
283.09702	2.9
285.11258	9.5
289.08618	2.2
290.09338	1.1
291.06866	1.3
291.10190	4.7
293.08319	1.1
293.11749	1.3
295.09665	2.2
297.11261	5.7
298.08459	0.9
299.09274	2.3
302.09521	1.0
303.10205	1.3
305.08453	0.9
307.09625	4.4
309.11166	3.2
311.09387	1.2
311.12988	1.2
313.11060	4.4
319.09668	1.4
321.11426	4.8
322.11856	0.9
323.12878	0.8
330.08902	1.8
337.10928	2.7
339.12772	3.2
341.07956	0.8
343.05917	0.8
343.09610	1.1
345.11380	1.5
346.08475	1.0
347.09024	0.8
350.09134	0.9
351.10162	1.3
353.11621	0.8
357.07300	1.2
358.08432	1.5
359.09140	1.2
361.06842	1.0
361.10980	1.4
364.10825	0.9
365.11710	2.4
367.12244	0.7
368.10291	1.0
369.11130	1.0
371.09216	1.2
372.09503	1.1
373.10892	2.4
376.09543	1.8
379.09552	1.1
381.11261	1.6
382.12018	1.6
383.12714	1.2
387.12607	0.9
389.10190	2.9
390.10818	1.2
393.11362	2.0
395.13287	1.6
397.14484	1.8
401.13858	1.0
403.11884	2.0
405.13498	2.4
407.12997	1.3
409.10541	1.1
410.11700	1.5
411.12036	0.9
413.13940	1.2
415.15906	1.0
423.12360	0.8
424.12802	0.8
425.13943	5.3
426.14819	1.0
439.15286	2.1
443.14810	2.3
444.15646	0.7
445.16162	0.9
457.16504	7.5
463.37836	1.3
475.17606	18.1
481.16156	0.9
481.38907	2.5
489.19116	5.3
493.18625	22.0
505.18555	20.4
507.20062	7.5
519.20441	1.1
531.20337	0.8
533.21918	1.2
535.20239	1.0
539.20892	0.8
543.19934	0.8
545.21991	1.6
555.19910	1.1
557.21802	3.5
569.21790	1.4
575.22778	7.3
593.23639	3.1
625.20508	1.5
625.32117	1.2
640.23022	28.4
641.24030	9.1
643.22833	1.6
661.24799	5.1
662.24164	1.3
663.25684	0.8
675.25616	3.8
679.25476	4.9
681.26630	2.2
693.26935	29.7
696.73889	0.8
697.26007	3.0
711.28046	52.1
712.28204	2.4
729.28845	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	729.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
65.03938	1.0
67.05511	1.3
70.82175	0.8
71.51908	0.9
79.05502	2.4
81.03419	3.5
81.07055	1.7
82.78075	0.7
83.04984	0.9
91.05486	6.7
93.07040	1.6
94.04199	2.1
95.04987	1.9
95.08594	1.0
97.02860	1.0
97.06531	1.9
100.96986	0.7
103.05470	3.5
105.07036	2.6
106.04213	0.9
107.04962	8.0
107.08627	1.4
108.05723	3.2
109.06512	1.7
115.05457	2.2
117.07044	3.9
119.04976	1.3
119.08626	1.5
121.06516	6.9
121.10168	1.0
122.03665	4.2
123.04445	2.0
123.08104	0.9
128.06219	1.7
129.06993	3.3
131.04939	6.3
133.06522	1.9
135.04417	3.3
135.08054	1.3
136.05212	5.4
137.05988	43.0
138.06355	1.1
139.03807	0.9
139.99484	0.7
141.07001	1.9
143.08565	1.3
144.05737	1.0
145.02859	2.0
145.06500	7.6
146.03427	0.9
146.07278	11.4
147.04414	1.8
147.08049	3.2
149.05994	3.4
149.09683	1.3
150.06746	1.5
151.03984	2.2
151.07555	100.0
152.07945	3.1
153.05467	2.1
157.06474	3.8
158.07248	2.3
159.08070	2.7
160.05234	3.2
161.05989	5.8
162.06789	4.5
163.03925	1.1
163.07574	3.0
165.05573	4.1
165.06784	0.9
165.09140	3.2
167.07080	1.8
169.06555	2.7
171.08096	0.9
172.08839	5.2
173.05949	3.4
173.09474	1.0
174.06761	4.7
174.28932	0.9
175.07544	7.2
176.08365	8.7
177.05585	6.6
177.09117	33.5
178.05936	1.7
179.07031	2.0
181.06528	1.6
183.08080	1.6
187.07582	4.5
187.09032	0.8
188.08302	9.3
189.05577	1.0
189.09128	20.0
190.09535	0.9
191.06973	1.1
191.10707	2.4
191.80788	1.1
195.08186	1.2
197.06000	4.0
198.06769	1.5
199.07616	1.5
201.09135	6.8
203.07045	1.2
203.10672	11.6
205.08614	3.1
209.06059	1.3
210.06746	1.3
211.07590	6.7
213.05537	1.1
214.06215	3.2
217.08615	1.6
219.08215	1.5
219.10069	4.4
221.06073	1.7
225.05527	6.0
225.09062	1.5
227.07048	3.2
229.08649	2.4
231.10170	2.3
235.07520	1.8
235.09528	1.0
237.05476	1.6
237.11139	2.6
239.06998	6.7
240.07710	1.2
241.08626	3.0
242.05786	9.4
247.07414	1.0
247.09641	10.9
248.08138	1.4
248.10367	1.1
249.05420	1.1
249.09027	1.7
249.11313	3.2
250.06097	1.1
251.10631	1.0
253.08635	3.5
255.06514	1.8
255.10249	1.2
256.07379	2.6
257.08112	53.8
259.07471	1.3
263.10782	1.5
264.07755	1.1
265.08759	2.1
269.08078	3.2
271.09680	11.4
275.10718	1.2
276.08099	1.2
277.08743	2.7
279.10223	2.5
280.07190	1.3
281.08133	2.6
281.11511	0.9
283.09653	1.5
285.07364	1.2
285.10223	1.7
291.10324	1.9
293.08105	1.3
293.11581	1.2
294.09122	1.0
295.09586	2.4
297.07706	1.5
297.11206	2.2
299.09164	1.9
305.11795	2.5
306.12564	1.4
307.09613	1.4
309.11322	1.9
311.09137	1.2
319.09888	1.0
320.13989	0.9
321.11224	1.7
322.11917	1.0
323.12744	2.2
337.10895	2.3
339.12411	1.5
355.15533	4.6
357.19171	1.2
365.11533	1.3
372.15665	3.3
373.16602	1.4
383.12997	1.0
425.13614	1.8
443.14871	3.7
448.61673	0.9
457.16644	6.7
461.16129	1.7
475.17563	18.6
476.17468	0.8
491.16849	4.1
493.18561	12.6
505.18887	1.2
515.20831	1.4
535.95776	0.9
589.42053	1.0
640.22717	2.2
661.24463	1.5
675.25800	1.9
679.25281	1.8
693.27234	6.8
697.26331	1.0
699.27448	1.2
711.27972	22.8
712.28040	1.2
729.28711	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	729.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
53.03943	2.3
55.01868	2.1
55.05497	2.2
57.03418	1.5
65.03622	0.8
65.03938	11.3
67.05500	5.6
69.03152	0.7
69.03436	8.4
69.07069	9.3
71.04984	2.6
71.52943	0.9
78.04694	1.6
79.05499	10.2
79.43383	0.8
81.03427	5.1
81.07057	7.9
82.04176	1.6
83.04982	22.3
85.02908	8.0
85.06589	1.1
91.05477	10.3
93.03411	9.7
93.07050	8.0
95.04964	7.1
95.08607	1.7
97.02894	4.8
97.06532	19.7
99.04459	5.1
101.06026	1.3
103.05455	3.5
104.83243	0.8
105.07036	25.4
106.04095	1.1
107.04964	7.4
107.08590	5.1
109.02854	2.4
109.06513	7.5
110.03647	8.4
111.04447	11.5
111.08121	0.9
113.06046	1.3
115.05422	4.1
117.07021	5.2
118.04144	1.7
119.04943	6.3
119.08599	4.5
121.02892	0.8
121.06499	13.0
121.10113	1.6
122.03656	1.3
123.04421	4.3
124.05199	1.8
124.12193	0.8
125.05992	46.3
127.03910	2.0
128.06238	2.5
129.06969	5.4
130.07698	2.1
131.04945	4.4
131.08571	7.7
132.05685	1.6
133.02834	2.0
133.06483	7.7
135.04433	1.9
135.08113	1.8
136.05222	1.4
137.05980	21.6
138.03117	2.1
141.06981	2.0
143.07030	26.9
143.08575	2.2
144.05664	1.4
144.09351	1.8
145.04922	1.7
145.06430	4.4
145.10123	30.2
147.04425	6.4
147.08035	3.3
147.11761	1.2
149.05968	2.3
151.03920	1.4
151.07539	6.6
152.04660	1.6
153.05472	63.2
155.07072	1.2
155.08524	1.3
156.09296	1.2
158.07251	3.6
159.08057	9.5
159.11690	11.2
160.05196	1.3
161.05984	7.1
161.09618	1.8
161.13132	1.0
163.03822	1.1
163.07536	2.2
163.11195	10.0
165.05476	2.5
165.06905	1.9
167.07051	40.7
167.08400	1.3
169.10083	3.5
171.04468	1.4
171.08006	1.5
171.11688	1.7
172.05139	1.6
172.08846	1.8
173.05951	1.2
173.09619	24.8
175.07527	12.6
177.05431	1.7
177.12714	4.6
178.07639	1.6
179.07048	4.6
179.08479	1.4
181.04994	1.3
185.06053	2.5
186.06755	3.5
187.07547	10.5
187.11180	21.2
189.05453	4.2
189.06975	1.3
189.09100	1.3
189.12712	1.3
190.07784	3.0
191.06987	4.6
191.08594	4.7
191.10649	11.1
193.06552	0.9
194.07146	0.9
197.09645	2.8
199.07567	3.9
202.07820	2.7
203.06866	1.7
203.08563	4.6
205.06558	1.7
205.10526	0.7
205.12248	21.8
206.07254	2.6
207.06403	1.5
207.08090	3.1
209.07994	1.2
209.11732	5.4
211.07547	1.0
213.09102	1.1
214.06232	1.3
215.08665	1.0
215.10651	24.5
216.07829	7.9
218.07362	4.5
219.08102	11.1
220.08823	3.8
221.05995	2.3
221.09627	3.5
223.07437	1.6
229.08621	8.4
231.08009	4.0
231.10043	0.9
232.08755	1.7
233.06030	1.4
233.09610	3.2
233.11710	26.9
234.06784	3.3
235.07663	5.6
236.08354	4.6
237.09116	3.3
245.05927	1.6
246.06857	2.6
247.07596	5.3
248.08379	4.2
249.09074	6.6
250.06163	1.8
250.09839	2.2
251.06978	1.5
251.10587	8.4
251.12805	14.2
253.08566	2.5
259.07468	2.0
260.08295	2.0
261.05441	3.7
261.09079	3.9
262.06229	1.8
262.09949	1.1
263.06998	4.1
263.10672	1.6
264.07791	9.9
265.08511	9.0
266.09369	1.8
269.13895	2.3
273.05948	0.9
273.09085	1.2
275.06949	3.5
276.07800	9.7
277.08612	6.0
278.09412	4.5
279.10068	8.1
281.08356	0.9
281.11768	4.1
287.07217	1.0
288.07721	2.2
289.08578	2.6
290.09192	1.5
291.06693	1.3
291.10147	3.0
292.07224	2.4
292.10822	1.3
293.08060	5.6
293.11368	2.1
294.08862	2.2
295.09381	1.3
296.10373	1.4
304.07245	1.7
305.07950	2.9
306.08847	2.6
307.09656	35.2
307.13193	1.7
308.10495	8.0
309.11227	4.9
311.12820	2.0
319.09604	8.7
320.10367	1.6
321.11108	4.7
323.12878	7.3
324.09900	1.6
326.11346	1.0
335.09103	1.0
337.10431	2.1
339.12262	100.0
340.12625	3.1
341.13864	13.5
351.08032	1.9
351.12280	30.8
352.12839	1.5
353.13879	5.9
359.14594	2.0
365.18188	1.0
369.13223	3.1
371.14679	1.2
377.15845	4.3
395.17108	4.5
413.18085	12.8
450.06693	1.0
499.17160	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	729.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01851	0.8
55.05490	1.2
57.03404	1.4
59.04991	0.6
59.86924	0.4
61.02931	2.6
63.02390	0.4
65.03937	0.5
67.05506	2.1
69.03436	3.3
69.07053	0.9
69.61088	1.6
69.61512	0.9
71.04997	1.9
73.02927	2.1
79.03053	0.3
79.05504	2.3
81.02944	0.5
81.03400	9.2
83.04946	0.7
83.08600	1.1
85.02904	5.2
85.06507	0.4
87.51869	0.4
87.52527	0.4
89.03912	3.9
90.04241	1.4
91.03961	1.9
91.05482	3.9
93.07030	2.4
95.04990	2.2
95.08595	1.5
97.02895	2.7
97.06507	0.7
98.21430	0.7
99.04437	1.0
101.02354	0.9
103.03921	0.5
105.07032	2.4
106.10733	0.4
107.04921	0.8
107.08586	1.0
109.02871	2.4
109.06520	0.7
109.10123	0.7
111.04412	0.5
111.08086	0.9
117.03380	15.8
118.03708	4.3
119.08598	2.0
121.06504	0.6
121.10153	1.6
123.08044	0.8
127.03896	1.6
129.05502	0.4
129.06996	0.8
131.08554	1.2
133.10103	1.5
134.03621	1.2
135.04393	1.2
137.05994	5.7
137.09608	0.5
138.06306	0.9
143.08432	0.4
145.02850	44.4
145.10085	0.6
146.03181	14.1
146.07262	0.5
147.04399	1.5
147.07964	0.4
147.11678	1.5
149.05994	6.7
149.09608	1.5
150.06323	1.6
151.03835	1.2
151.07495	1.9
157.10097	1.0
161.05974	0.5
163.03886	1.2
167.07045	1.1
175.07555	0.5
175.11208	1.3
177.05473	100.0
178.05809	35.8
186.05469	2.0
187.05887	0.6
187.07515	0.6
193.12241	2.1
195.06502	2.2
196.06842	0.5
211.13263	0.5
225.14993	0.5
239.78528	0.4
243.08371	2.3
251.12628	0.8
267.16016	0.9
283.15170	3.6
310.56680	0.4
321.09647	2.7
322.10199	1.7
339.10776	6.1
339.17676	1.4
340.11084	5.1
343.14935	0.4
469.20483	8.1
501.23141	8.8
650.73224	0.5
729.36700	77.2
730.36945	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	730.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.00261	0.2
57.03427	0.2
57.11850	0.2
61.02922	0.3
65.03941	1.3
69.03413	1.1
71.04961	0.4
71.52570	0.4
77.03925	0.3
79.05485	0.5
79.94717	0.2
80.06263	0.3
81.03408	0.7
81.07024	0.4
84.17561	0.2
85.02905	3.9
86.10193	0.2
87.04465	0.3
91.05486	4.6
93.03397	2.4
94.04170	0.7
95.04949	1.0
97.02874	1.0
99.04452	0.3
102.28139	0.2
103.05463	1.3
105.07062	1.2
107.04970	2.3
108.05721	0.6
109.02848	0.4
109.06507	0.7
110.03619	0.4
111.04449	1.7
111.55345	0.2
115.05458	1.0
116.15627	0.3
117.06995	1.3
119.04945	2.3
121.06509	4.3
122.03636	1.0
123.04425	0.7
125.05158	0.4
125.05994	4.0
127.03902	0.9
128.06168	0.5
129.06990	0.6
131.04933	3.8
131.08658	0.2
133.06522	1.6
135.04387	0.7
135.08072	0.6
136.05194	2.1
137.05978	20.1
139.07466	0.3
143.04929	1.2
145.04948	0.5
145.06474	2.4
146.03606	1.0
146.06165	0.4
146.07274	6.1
147.04369	0.7
147.08063	1.5
149.05997	4.0
149.09639	0.5
151.03931	0.9
151.07545	48.4
152.06003	0.3
152.07912	0.5
153.05464	7.4
153.06808	0.5
154.07729	0.4
157.06500	0.3
158.07298	0.4
159.04428	0.3
159.08075	0.8
160.05260	1.2
161.05989	10.6
162.06673	1.9
163.07545	5.1
165.05511	0.8
165.06993	5.3
165.09050	1.6
166.07703	0.6
167.04961	0.4
167.07196	0.4
167.08565	1.4
169.06444	0.3
171.08202	0.3
172.08827	0.9
173.05946	0.4
174.06749	1.0
175.07553	10.3
176.08301	1.0
177.09105	21.4
178.07632	0.4
179.07016	1.1
179.08551	1.7
180.08725	0.3
181.06491	0.8
182.07281	1.9
183.08058	0.5
187.07536	2.0
188.08339	1.4
189.05466	0.9
189.09108	15.0
191.07031	1.1
191.10695	0.6
193.06488	6.7
193.08403	0.3
194.07225	0.8
195.08084	2.2
196.08842	0.9
197.06007	0.3
197.09618	1.8
198.06760	0.3
199.07527	0.9
201.05496	0.5
201.09102	1.0
203.07004	0.5
203.10649	2.1
205.06474	0.4
205.08601	0.5
207.08076	1.5
209.05975	0.5
209.09630	0.5
210.06766	5.3
211.07529	1.0
212.08363	0.4
213.09126	1.7
217.08588	0.5
219.08070	0.4
219.10155	0.6
220.05258	0.3
221.05980	15.9
222.06631	0.8
223.07590	1.3
224.08322	3.7
225.09106	13.0
227.06990	1.0
227.10622	2.9
234.06912	0.3
234.79176	0.3
235.07431	1.6
236.08324	0.4
237.05507	0.7
237.09099	0.5
238.06282	4.1
239.07066	1.0
239.10649	2.4
240.07718	0.5
241.08632	0.4
242.09337	0.6
245.09476	0.4
247.09676	1.8
249.09117	0.7
251.07150	0.3
251.10587	0.8
252.07849	2.9
253.08611	18.6
254.09192	1.0
255.06435	1.7
255.10168	1.2
261.09058	0.5
265.08633	0.7
267.10165	10.6
269.08063	0.6
270.08847	2.4
277.08759	0.4
277.11984	0.4
279.10156	0.6
281.07993	0.4
284.10507	0.3
285.11212	46.6
286.11566	0.8
287.13034	1.2
290.09354	0.3
291.10233	0.8
291.13589	0.3
292.11017	0.4
293.11798	0.3
294.08694	0.3
295.12927	0.2
297.11176	1.3
299.12823	2.2
301.14642	0.3
303.10187	0.3
305.11667	1.5
307.09424	0.5
307.13016	0.4
309.11279	0.8
313.10815	0.5
317.11389	0.3
319.13297	1.5
320.14145	0.7
325.10687	0.8
327.12268	0.5
329.11703	0.6
330.12512	0.4
331.09586	0.3
333.11139	0.3
334.12112	0.3
337.14285	1.1
339.12256	0.3
347.12772	0.9
351.15921	8.9
355.15570	0.7
361.14331	0.6
363.51352	0.3
365.14005	1.2
369.16968	17.7
370.17264	0.5
373.16562	0.7
379.15555	1.8
383.15146	0.4
393.15097	0.3
397.16443	8.2
421.14459	0.3
453.17126	0.3
471.18124	0.7
471.49643	0.3
475.21173	0.4
485.19397	0.8
489.18991	0.6
503.20599	8.8
506.19220	0.4
521.21710	100.0
522.22040	2.9
533.21606	0.9
730.25769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.6
58.57952	0.8
63.54869	0.6
64.17706	0.7
65.03938	1.4
65.08886	0.6
67.05486	0.6
69.03408	1.7
71.05002	0.9
71.51853	0.7
76.27790	0.6
77.10143	0.6
79.05457	1.0
80.41352	0.6
81.03416	1.6
81.07072	1.5
83.08614	0.8
85.02910	6.2
87.00832	1.3
91.05486	7.1
93.03407	2.6
93.07036	0.9
94.04179	0.9
95.04963	1.6
95.08625	0.7
97.02878	2.2
103.05473	7.3
105.01862	1.4
105.07030	2.3
107.04965	4.3
108.05763	1.1
109.02832	1.5
109.06499	1.3
109.10146	0.8
111.04443	2.3
115.05458	3.0
117.07024	3.0
118.04149	0.8
119.04961	3.1
121.06503	5.3
122.03660	2.8
123.04433	0.8
123.11700	0.6
125.06016	4.3
127.03944	3.0
129.06998	0.9
131.04939	16.6
132.05754	0.9
133.06511	2.0
135.04373	1.0
135.08078	1.4
136.05190	2.8
137.05986	45.0
138.06363	2.3
139.07555	0.7
143.04916	1.8
145.04953	1.5
145.06491	4.6
146.03635	1.5
146.07285	7.6
147.04446	0.9
147.08080	4.2
149.05997	4.5
149.09650	3.7
151.03906	1.6
151.07555	80.6
152.07765	0.8
153.05486	8.6
157.06487	0.6
159.04231	1.0
159.08020	1.9
160.05243	3.1
161.05992	13.5
161.09595	0.7
162.06801	3.1
163.07555	40.2
165.05540	1.4
165.07005	4.8
165.09117	2.4
167.08577	1.6
171.08159	0.6
174.06764	2.2
175.07561	54.3
176.08179	1.4
177.09117	39.9
178.07709	0.7
179.07114	1.4
179.08585	1.6
181.06517	1.2
182.07310	2.8
183.08076	0.8
187.07515	3.3
188.08377	1.6
189.05525	0.9
189.09122	16.4
189.12772	2.1
191.06987	2.0
191.08591	0.8
191.10768	0.8
193.06511	9.3
194.07246	1.3
195.08083	2.6
196.08849	1.4
197.06071	0.7
197.09671	1.3
199.07457	1.4
200.08376	0.6
201.05513	0.9
201.09093	2.2
201.12770	2.0
203.07011	1.1
203.10689	2.8
205.06749	0.6
205.08598	1.2
207.08025	2.1
209.09636	0.9
210.06776	5.8
212.08281	0.9
213.09096	1.8
215.14244	0.7
217.08693	1.1
219.08171	0.7
221.05994	17.8
222.06750	1.1
223.07585	1.5
224.08328	4.0
225.09116	14.4
227.07057	1.7
227.10667	4.0
231.05046	1.1
233.07970	0.8
235.07562	1.7
237.05318	0.9
237.08989	1.1
238.06239	3.2
239.07092	1.4
239.10657	3.1
247.09697	2.7
251.07095	1.0
251.10643	1.5
252.07887	3.7
253.08607	19.7
254.09229	1.4
255.06593	1.7
255.10181	1.5
265.08658	1.3
267.10181	14.2
270.08893	2.1
279.10037	1.3
283.20514	0.8
285.11237	51.1
285.22125	6.5
286.11728	1.1
287.13034	1.2
291.10318	0.6
294.09262	0.7
295.09500	0.9
297.11359	3.8
299.12900	3.5
304.10950	0.9
305.11691	2.2
309.11118	1.4
311.12704	1.1
319.09695	0.7
319.13449	1.7
323.12830	0.9
325.10654	1.0
337.14148	1.6
346.25677	0.8
347.12909	0.8
351.12341	0.9
351.15997	7.7
355.15405	1.7
361.14014	0.7
365.13892	1.2
369.17010	18.1
370.63419	1.1
371.13486	1.5
371.63510	1.1
373.16425	1.6
379.15302	2.3
383.15002	0.9
393.16879	1.3
397.16479	9.9
411.18091	20.3
475.21323	1.0
485.19681	1.0
503.20700	8.5
521.21741	100.0
522.22137	3.4
533.21436	1.9
730.35144	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	731.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96300	1.1
56.96566	16.2
56.96847	0.9
57.03413	0.7
61.02924	2.0
69.03430	2.9
69.22883	1.4
69.23302	4.6
71.95264	1.7
73.02917	1.5
79.05504	2.9
81.03407	0.9
81.07055	1.5
84.96044	7.2
85.02911	7.7
86.03259	0.8
87.04493	0.8
91.05484	1.4
92.76821	0.5
93.07027	0.7
97.02904	3.3
97.96781	0.7
98.97588	90.5
99.04460	0.9
99.97891	0.6
101.00911	1.0
102.97019	0.8
105.06995	0.8
107.08595	2.8
107.24171	0.5
109.02880	1.3
109.06520	0.9
110.97575	12.8
112.99152	3.0
116.98629	32.6
117.03374	0.9
119.01882	1.2
119.04951	1.6
121.01691	1.2
121.06492	1.1
124.99121	2.0
125.09604	0.7
127.03934	1.8
128.98615	11.3
131.00179	2.4
131.01932	1.3
132.04482	0.6
132.40355	0.6
133.01657	1.1
134.99643	6.4
137.05966	8.6
140.98645	2.0
143.00162	5.5
143.01897	1.2
143.10718	1.5
144.98087	2.3
145.01706	1.6
145.04982	1.1
146.99658	4.3
147.03307	0.9
147.04408	2.8
149.01221	0.9
152.05713	1.3
152.98604	1.9
155.00171	0.7
157.01628	0.7
158.99664	40.4
161.01239	5.1
161.02869	1.3
162.99086	1.1
163.02695	0.9
163.03925	2.5
165.05615	1.4
170.99661	6.2
172.05641	0.7
177.00725	28.5
179.03899	0.6
182.99596	1.0
183.03285	0.6
183.06958	0.6
185.01260	0.7
187.04416	0.8
187.06430	1.1
189.00728	3.5
189.04041	0.6
189.05890	0.9
193.01776	1.8
193.04953	3.4
194.99672	1.6
195.01660	1.3
197.01263	1.4
197.04935	1.1
198.98999	0.8
199.04596	1.0
199.06424	1.5
201.00742	4.5
201.04330	1.3
203.02295	0.9
203.03999	1.5
205.03697	1.6
206.99803	1.1
207.05014	2.0
208.05063	1.4
209.04755	1.7
211.02782	8.6
213.00699	2.6
215.02127	0.8
215.05867	0.7
219.01784	26.9
221.05074	1.7
222.05304	0.6
223.02844	0.8
223.04779	2.3
225.00696	4.1
225.04318	1.7
227.02238	1.3
227.05861	1.4
229.03847	11.2
235.02802	8.5
237.02811	27.4
239.02287	1.4
239.05745	1.4
241.03621	1.0
241.07574	0.7
243.01825	3.2
243.10832	0.7
249.06369	0.8
251.06149	1.5
253.03859	21.9
253.06537	1.2
255.03755	1.1
257.03317	1.2
259.08643	0.9
260.08902	0.7
261.02869	1.2
265.03851	1.0
267.05307	0.7
269.03345	0.9
269.06927	0.7
271.04907	7.4
276.05722	0.9
277.03766	2.9
279.03857	0.8
281.06686	0.9
285.02789	2.1
289.03583	1.4
289.06369	1.1
293.05023	2.1
294.05206	0.8
295.04880	6.8
295.07663	0.8
298.08447	0.8
303.03934	1.9
307.04984	1.8
311.06094	8.8
312.06335	4.4
313.05994	16.1
321.05441	0.6
327.03894	1.8
327.07565	1.0
329.07254	1.6
329.14575	0.6
330.07376	0.8
331.07156	2.5
337.05890	0.8
340.09314	0.8
341.09274	2.1
345.04965	0.8
353.07394	2.5
354.07458	2.5
355.07019	41.9
356.07535	0.8
357.10440	0.9
358.10501	1.1
359.10199	3.1
361.11749	1.5
362.10449	0.7
369.04810	0.9
371.09613	0.7
373.08084	52.8
374.08643	1.3
378.13599	1.0
379.12253	1.1
385.07709	0.8
396.09320	2.8
397.08789	0.8
408.12146	1.0
411.11606	0.8
413.09363	1.3
414.09256	1.4
415.09134	100.0
415.64429	0.8
416.09534	1.9
417.15897	1.2
431.10260	1.0
433.10483	3.3
443.10590	0.9
517.12323	1.3
525.16730	1.8
572.64032	1.9
573.13995	2.2
671.18427	4.6
731.21075	7.9
762.32880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01867	0.5
55.05513	1.1
57.03433	1.1
57.55364	0.4
59.14912	0.4
61.02938	5.1
67.05511	5.8
67.85081	0.4
69.03439	3.4
69.07073	1.4
69.61084	0.6
69.61491	2.2
71.01340	0.5
71.05009	0.7
73.02927	4.3
79.05494	3.4
81.03433	1.8
81.07068	7.1
83.05003	0.5
83.08636	0.5
85.02910	4.9
86.39227	0.4
87.04482	0.5
91.03960	3.2
91.05491	1.8
93.07055	4.4
95.08609	3.1
97.02901	4.6
99.04478	1.0
101.02402	1.8
105.07053	0.6
106.03748	0.5
107.08632	2.2
107.80933	0.4
109.02903	0.7
109.10172	1.5
117.07038	0.6
119.08598	0.5
121.10116	2.2
127.03944	1.6
131.08638	0.8
133.10161	0.8
135.11678	0.6
146.02094	0.5
149.13348	1.5
159.11702	0.7
184.07378	0.8
185.04243	0.8
235.13132	1.6
243.08545	1.4
261.22202	0.5
291.51288	0.4
335.25854	0.8
447.16895	0.5
453.20987	3.7
474.88669	0.4
519.29333	6.7
731.43451	100.0
732.43549	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80133	0.5
61.46919	0.5
69.07055	0.9
71.03716	1.1
79.05480	1.2
81.03410	2.4
83.04990	0.6
85.02932	0.5
91.05482	1.9
94.04185	3.4
95.04997	0.6
95.08625	0.6
101.96820	0.6
103.05486	4.8
105.06989	0.7
107.04971	0.6
108.01694	0.5
115.05464	2.2
117.07036	1.8
119.04916	0.6
119.08573	0.6
122.03656	7.3
123.04444	0.5
128.06215	1.2
129.06984	4.4
131.04945	9.8
131.08510	0.8
133.06491	0.9
135.04443	1.4
137.05984	100.0
138.06320	1.1
143.04936	2.1
144.05664	0.9
145.06470	2.2
149.05984	1.1
151.03923	1.2
151.06473	0.6
151.07523	3.7
157.06529	3.6
160.05180	3.6
161.05965	2.0
163.07536	4.7
165.06953	0.6
172.05162	1.1
174.06805	1.6
175.07556	24.4
177.05556	0.6
177.09116	1.1
181.06471	1.0
185.06010	0.7
187.07561	11.7
189.09100	4.6
197.06100	0.6
205.06766	0.9
205.08635	7.7
206.07228	0.7
209.05957	0.7
211.07567	2.3
217.06671	0.9
217.08476	3.1
222.06844	0.8
225.09042	0.9
227.07005	1.2
228.07870	0.6
233.07840	0.6
234.06715	0.8
235.07549	1.2
235.09592	4.2
237.09145	1.1
239.07043	3.9
241.08673	3.2
247.07538	1.3
248.08157	1.1
249.09154	1.2
250.06200	0.5
253.08687	1.9
255.10179	0.6
256.83450	0.6
257.08231	0.7
257.75693	0.5
259.09637	1.1
261.09094	1.8
263.07053	1.1
263.10593	0.8
265.08606	4.5
266.09402	0.6
269.08020	0.9
271.09647	8.1
273.11346	0.9
277.08701	3.8
279.10153	2.8
283.09634	1.3
285.11386	0.6
289.08533	1.1
291.10190	2.6
293.08298	0.7
295.09735	1.3
296.10452	0.9
297.11243	2.5
306.09039	0.8
307.09583	2.2
309.11267	3.0
319.09836	0.6
321.11267	2.7
323.12958	1.2
333.11539	0.7
336.40158	0.6
339.12384	1.6
381.11035	1.1
394.12216	0.7
397.14850	0.6
407.12949	0.6
413.14130	1.0
415.15405	0.8
425.13876	2.0
431.15054	0.7
439.15594	0.6
443.14819	0.9
445.16437	1.8
457.16412	2.8
461.16180	1.2
463.17062	1.1
475.17642	4.2
479.16266	0.9
491.17056	3.5
491.23294	0.6
493.18610	5.4
505.18787	0.9
513.19061	2.0
525.18829	0.9
531.19830	3.8
543.20062	3.9
555.20709	0.9
561.21222	2.9
579.22150	1.5
608.20435	0.6
626.21399	4.6
627.22345	2.6
647.22687	1.5
649.24615	0.9
661.24585	2.1
665.23438	1.0
667.25116	2.2
679.25427	9.3
697.26477	21.5
698.26599	1.1
715.27448	11.2
716.27734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01841	0.9
55.05513	9.0
56.05027	4.4
57.06833	0.8
57.07076	5.1
58.06584	0.8
60.04529	63.2
67.05507	11.8
69.07073	11.1
70.06593	2.6
70.10686	2.5
71.05000	1.2
71.08629	2.5
72.04124	0.7
72.04491	3.3
74.06076	1.8
79.05495	8.3
80.05020	1.3
80.25874	0.7
81.03422	3.2
81.07059	14.5
82.06573	2.6
83.08621	7.8
84.08138	0.9
85.02901	1.3
85.10196	2.1
86.06071	2.7
90.05564	2.9
91.05484	8.2
93.07052	7.2
94.06583	5.1
95.04982	2.0
95.07342	1.1
95.08607	13.0
96.08128	2.6
97.06532	1.1
97.09646	0.7
97.10165	4.7
98.06074	1.6
100.07654	1.1
105.07027	5.2
107.08587	5.6
108.08107	1.4
109.06501	1.4
109.10147	5.1
111.11732	2.4
112.07602	1.2
114.09188	0.7
119.08607	5.4
121.10135	5.0
122.09682	2.1
123.08043	1.0
123.11736	1.5
133.10168	4.1
135.11716	2.0
147.11713	2.0
149.13309	1.2
161.34355	0.8
184.07426	0.9
238.25479	1.1
241.07295	0.8
245.22691	3.0
250.25380	2.4
262.25299	25.3
263.23636	3.9
272.25928	4.6
278.24994	0.8
280.26358	22.4
298.27466	8.3
304.67160	0.9
314.26898	3.1
316.28668	1.5
344.28070	1.3
516.47754	2.6
534.48901	13.0
552.49890	100.0
553.50372	2.8
570.50940	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	732.562
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
55.05510	9.2
56.05027	3.1
57.03418	1.1
57.07084	5.3
57.07315	1.0
60.04528	66.5
67.05508	13.4
69.07072	10.6
69.85506	4.6
70.06586	3.3
71.08630	3.0
72.04509	2.7
74.06082	2.0
75.41587	0.9
79.05504	7.9
80.05000	1.2
81.03408	4.2
81.07059	13.8
82.06577	3.7
83.04967	1.1
83.08624	8.0
85.10171	2.9
86.06074	3.1
90.05552	3.2
91.05476	10.3
93.07024	6.6
94.06565	3.0
95.04985	2.3
95.07342	2.2
95.08617	13.8
97.10149	5.5
98.06087	1.2
98.20871	1.2
105.07055	5.4
107.08577	4.5
107.97744	0.9
109.10156	4.6
111.08103	1.1
111.11716	1.4
119.08569	4.9
121.10123	3.9
122.09680	1.1
123.11691	2.5
133.08684	0.9
133.10126	5.1
135.11732	2.4
137.09598	1.1
139.55786	0.9
147.11736	2.4
171.51276	0.9
245.22633	3.4
250.25302	2.9
262.25330	24.3
263.23715	3.9
272.25858	5.6
280.26334	22.9
298.27341	7.6
314.26843	3.7
316.28430	1.7
344.28137	1.1
446.40207	1.1
458.18686	0.9
516.47778	4.0
534.48816	14.0
552.49915	100.0
553.49951	2.3
570.50891	47.1
571.51123	1.0
743.49207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51086	1.7
53.56693	1.6
56.96565	9.7
57.03438	6.3
61.02927	5.8
64.72897	2.0
67.05506	2.1
69.03435	14.6
70.14471	6.4
73.02924	5.5
79.05506	5.3
79.29657	1.6
81.03424	7.9
84.96032	4.5
85.02911	34.2
86.03239	2.1
87.04459	3.5
89.03942	5.6
91.05508	4.8
93.07053	2.3
95.08621	5.2
97.02905	15.4
98.97594	44.0
98.98211	3.1
99.04467	2.4
101.00892	5.8
102.14436	1.7
105.07047	5.1
109.02850	3.7
110.97573	9.0
115.02457	2.9
116.98625	14.3
117.03402	4.1
119.01901	11.2
119.04942	8.7
121.06505	3.8
123.08098	4.9
127.03912	10.0
128.98622	5.0
131.01952	5.4
133.03427	1.6
134.99644	2.1
135.04451	10.0
137.05989	21.6
141.09171	6.3
143.00209	3.3
143.01907	10.9
144.98076	3.6
145.02740	3.2
145.03708	2.3
145.04991	6.4
146.99654	3.3
147.04402	15.4
148.04868	2.1
155.01944	7.8
158.99664	14.7
159.10187	2.5
161.01379	2.0
161.02997	10.7
161.04312	1.9
163.03926	46.0
163.06094	3.7
164.04263	5.5
165.05569	1.8
167.07115	3.6
170.99715	1.9
173.01239	2.0
173.03026	5.4
177.00763	7.9
179.07100	5.0
180.05496	2.6
181.03526	3.3
181.07158	4.6
182.03427	3.9
182.99765	2.2
185.02977	4.1
185.04852	2.2
189.00838	2.6
189.04094	2.6
189.06058	4.0
193.05000	10.9
195.05107	4.1
197.01378	2.4
197.04955	4.3
197.06610	3.9
199.04564	6.8
199.08185	5.8
201.00833	8.4
203.04063	6.6
203.05798	2.2
207.05022	10.3
208.04906	9.0
211.02924	2.5
211.08263	5.3
217.05557	5.6
219.01752	16.7
219.05061	2.7
219.55859	1.8
221.05006	16.9
223.04657	4.1
223.08131	18.3
225.06216	4.5
229.03839	3.4
231.05101	3.5
233.03134	3.9
235.02890	4.8
235.08231	7.6
237.02748	12.1
237.06276	1.8
238.01366	2.7
239.02255	2.8
239.05907	10.7
241.09259	10.8
243.07303	3.1
244.04405	6.1
247.04730	4.5
247.08330	3.7
249.06178	3.2
251.04007	10.3
253.03699	8.6
253.09381	5.8
257.03058	2.2
257.07129	3.8
259.10349	5.3
261.03064	2.3
261.06186	2.5
265.05905	3.7
265.09274	3.3
267.01639	2.0
267.07089	2.5
269.05179	3.1
271.04965	4.2
271.10309	3.3
275.04132	5.5
277.03839	3.3
280.07217	4.3
283.10278	12.3
285.02768	9.2
289.07739	3.8
293.05087	25.4
293.08069	2.1
295.05060	7.3
295.10391	4.4
297.08249	2.2
298.08179	4.0
301.11386	2.1
303.03943	14.5
307.06918	2.6
311.06134	100.0
312.06537	3.4
313.11487	6.6
325.07816	9.4
325.11209	2.9
327.03882	24.3
329.07187	13.5
334.07825	3.0
343.08578	3.2
343.12469	37.7
345.05215	2.0
348.07169	4.1
351.09537	5.4
353.07150	28.9
353.10745	2.1
359.10016	4.2
361.13687	13.0
369.05020	5.4
369.09967	3.8
370.10358	4.1
371.08380	2.9
377.11316	4.0
378.10696	22.9
378.61200	5.4
379.10767	12.4
385.09775	4.0
387.11243	10.3
387.61356	1.9
394.62314	2.1
395.08051	2.8
396.11789	11.8
396.62061	5.0
399.12103	2.3
411.12646	2.6
412.62967	2.7
413.08972	18.6
413.14325	2.6
415.09335	2.6
429.07162	5.1
431.10464	13.4
447.08350	6.5
485.13821	1.9
527.19965	4.4
553.17810	4.1
571.18811	7.5
589.16217	3.2
733.23999	71.7
734.23779	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	735.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	9.6
56.96827	0.4
61.02900	0.7
69.03390	0.7
71.39429	0.7
74.97567	0.5
79.05472	0.8
84.96031	1.9
85.02859	1.7
86.97564	0.6
97.02841	0.8
98.97588	24.1
102.97049	0.4
105.00123	0.6
107.08578	0.9
110.97567	2.1
116.98618	6.2
123.01112	0.6
124.99134	3.1
127.00658	0.6
127.03916	0.5
128.98560	1.5
131.01822	0.9
134.99619	0.6
136.99068	0.8
137.05919	1.7
139.06026	0.4
140.27390	0.4
143.00172	4.3
143.01820	1.1
144.97990	0.5
145.01674	0.5
145.03416	0.4
145.04964	0.8
147.01205	0.8
147.04437	0.5
151.00647	1.1
151.04272	1.6
153.02260	2.4
155.00154	1.9
155.01871	0.5
155.03844	0.5
158.99661	11.7
161.01192	1.5
161.02827	0.9
163.03835	1.1
163.05966	0.8
164.05937	0.5
165.02126	0.5
169.03969	0.8
169.05373	14.9
170.99580	0.9
171.03297	6.1
173.01260	1.0
177.00687	5.6
177.02214	3.6
179.00143	1.4
179.03827	1.0
181.01653	0.7
181.05353	0.6
181.06992	0.4
182.99699	0.6
183.08606	1.0
185.01260	2.1
185.02666	0.5
187.04710	0.6
187.06439	12.4
189.00826	0.5
189.04367	2.9
191.02197	0.5
195.03302	3.3
197.01250	2.2
197.04846	2.4
199.06432	9.3
199.08159	0.6
201.00688	1.0
201.09581	0.5
203.02245	5.4
203.04053	1.2
205.01671	1.4
213.04361	5.5
215.02251	1.0
215.05869	0.8
217.07472	5.3
219.01833	2.0
221.01228	2.2
221.03291	5.8
221.05095	4.0
223.02809	3.9
223.06335	1.0
225.09706	1.4
231.05391	3.8
235.08635	2.0
237.02731	0.9
237.09691	1.5
239.02283	2.9
241.03864	3.3
241.07393	2.2
243.10738	0.8
248.98518	0.5
249.00797	1.9
249.09567	0.7
255.01711	0.9
255.10860	0.5
257.03180	0.6
257.06976	0.7
259.04745	0.6
259.05945	0.4
259.08530	4.3
265.00195	1.7
265.03653	0.7
267.01736	5.6
273.06482	0.6
277.09613	3.1
279.10626	0.4
283.01273	3.0
283.04477	0.8
285.02820	40.4
285.09561	2.2
286.03076	0.8
289.09576	0.6
293.05008	1.3
297.11938	0.8
299.07944	1.6
303.03888	39.6
303.11182	1.8
308.04529	0.7
309.02753	7.7
311.06110	4.2
317.09024	0.9
321.05228	0.7
326.05481	0.5
327.03888	58.2
328.04306	1.3
345.05035	9.6
345.11920	7.9
350.05536	0.6
353.07071	0.8
363.13208	18.0
364.13306	0.5
366.37128	0.4
369.04962	3.4
387.05948	0.6
388.34622	0.5
405.14426	1.8
413.09592	0.5
429.07086	3.2
431.10297	0.5
447.08066	3.5
485.16904	1.2
491.77850	0.4
527.73700	0.4
529.19995	2.7
555.17694	3.2
573.19073	0.9
735.23950	100.0
736.24158	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	735.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83125	0.5
53.03881	0.5
55.01837	0.7
55.23350	0.5
56.96565	6.9
57.03406	1.2
58.99858	0.8
61.02885	1.6
62.85446	0.5
63.11514	0.5
67.05486	1.2
69.03439	3.8
70.99831	0.5
71.04942	0.8
71.05947	1.0
73.02879	1.3
77.00862	1.5
77.56909	0.6
79.05507	9.2
81.03398	1.4
81.07013	2.2
84.96056	2.8
85.02914	8.4
86.99284	0.7
87.04434	1.0
91.03919	0.8
91.05443	1.5
91.16027	0.5
95.01903	1.7
95.08543	2.0
97.02898	4.6
98.97592	19.7
101.00302	0.6
101.00879	6.5
105.06990	1.2
107.04922	0.8
107.08610	10.6
109.02823	1.7
109.06491	1.4
110.97588	3.9
112.99133	0.9
113.00890	3.5
115.02378	1.7
116.98637	6.0
119.01926	13.2
119.04894	1.2
121.06466	2.0
124.99079	0.9
125.09605	1.5
126.97066	0.9
127.02357	1.6
127.03848	2.3
128.98622	3.8
131.00203	0.9
131.01923	14.2
133.03479	2.8
134.99626	1.3
137.00829	1.3
137.02910	1.1
137.05046	0.6
137.05997	10.4
141.30466	0.5
142.03410	0.6
143.00104	2.1
143.01904	5.9
143.10631	2.5
144.98036	1.6
145.03412	3.4
145.04903	1.5
146.99698	1.2
147.01347	1.8
147.03349	0.6
147.04378	3.2
149.02930	1.8
152.98601	0.6
153.07573	0.9
155.01910	5.8
155.05486	0.8
156.02618	1.0
157.03442	1.4
158.99683	5.9
161.01210	1.6
161.02914	9.2
162.99083	1.2
163.03925	3.5
163.05983	2.6
164.98579	1.6
165.05493	0.7
167.07077	1.0
168.52322	0.6
169.01773	0.6
169.03346	1.3
169.05373	1.7
170.99638	2.3
171.03282	0.9
171.04971	1.3
171.08656	4.2
172.05673	1.5
173.01500	1.0
173.02934	5.7
173.06563	1.1
175.03848	0.6
177.00711	4.0
177.07672	0.7
179.03935	0.9
179.05446	1.0
181.03410	1.2
181.07173	5.2
182.99667	5.3
183.08685	13.1
185.01215	1.1
185.02960	2.6
185.04616	1.1
187.06345	2.6
189.00732	0.9
189.04102	1.6
189.07585	0.8
191.03964	1.1
193.05013	4.3
194.99760	0.8
195.04953	0.9
195.08705	5.5
197.04803	1.5
197.06586	1.4
199.04439	2.2
199.06396	2.7
199.08156	5.7
201.00735	7.2
201.09744	11.1
203.02313	1.2
203.04016	15.8
203.05687	0.9
205.03499	1.6
205.07301	1.1
207.05075	5.5
207.08682	8.2
208.04948	1.1
209.06628	0.7
209.10129	1.3
211.02713	1.2
211.06407	0.7
211.08186	1.4
213.04385	0.9
213.09686	2.5
215.05946	1.4
217.07396	2.4
218.04588	1.3
219.00200	0.6
219.01828	8.2
219.08681	1.3
219.10765	1.5
221.05081	53.9
222.05287	1.8
223.04651	2.0
223.08182	2.0
225.06056	2.2
225.09746	26.0
227.11130	0.9
229.03801	1.8
229.09325	0.8
231.05243	2.0
233.03050	1.4
235.02611	1.1
235.04691	0.8
235.08293	1.4
237.00591	0.6
237.02852	9.8
237.09740	18.1
239.05978	4.1
239.11269	3.8
241.05467	0.8
241.07472	1.2
241.09505	0.9
243.01787	1.0
243.07117	1.0
243.10797	18.2
244.06648	1.2
247.04565	2.5
247.10356	1.4
249.06100	0.8
249.09810	7.8
251.04173	3.0
251.11253	1.3
253.03870	2.5
253.09183	0.9
254.09320	0.7
255.01732	0.9
255.10794	16.7
257.06958	1.3
257.12369	1.8
259.06503	2.4
259.08649	1.6
261.02798	1.1
261.09604	3.1
261.12125	4.2
265.05609	1.4
265.09030	0.6
267.01807	0.7
267.07166	1.1
267.10770	3.7
271.04788	1.4
271.10269	1.6
273.11990	4.6
275.03973	2.1
277.09619	1.2
279.03818	1.4
279.10751	2.6
283.05124	0.6
285.02869	1.7
285.09061	0.9
285.11905	11.6
289.07770	1.3
293.05106	10.4
295.04840	1.2
297.11838	12.3
298.08139	0.9
298.12048	0.7
301.09689	1.0
303.03992	2.6
309.02722	1.0
309.11905	2.8
310.08313	0.7
311.06137	37.3
312.06497	1.3
313.06006	1.5
315.12845	3.9
323.10663	0.7
325.07916	3.2
327.03864	5.3
327.12921	6.7
329.07309	4.0
334.07907	1.1
342.14435	1.0
343.08795	0.8
345.05078	2.2
345.13980	92.7
346.14209	1.6
351.03769	0.7
351.09366	1.3
352.11890	1.0
353.07098	5.3
355.06961	1.3
359.10254	3.4
361.11661	5.4
362.11804	0.6
363.15085	7.4
369.05035	1.6
369.09366	1.0
369.13553	1.0
370.10107	1.2
371.06784	0.5
372.60919	1.2
373.08139	2.4
377.11185	2.6
378.10181	0.7
379.13065	6.6
381.11365	1.2
381.61432	1.0
383.06464	0.8
393.11124	0.7
405.16025	1.0
406.11789	0.7
413.09537	3.3
415.09082	2.2
415.17578	1.2
416.09137	2.0
417.12067	2.5
417.62582	1.0
418.06741	1.0
418.12552	1.1
419.06812	1.0
419.12320	5.2
419.64444	0.8
420.14734	1.3
421.13837	2.3
429.06744	1.0
431.10306	3.1
453.07495	1.0
487.15067	6.7
507.18158	0.8
529.22009	6.1
555.18976	2.0
573.20740	3.7
573.64459	1.1
574.13867	1.3
612.43817	0.6
705.23224	0.9
735.25531	100.0
736.25800	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	736.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01868	1.2
55.05518	2.0
57.03447	2.6
59.04990	0.8
61.02929	0.6
67.05501	2.8
69.03434	11.1
69.07089	0.5
70.06613	0.6
71.04996	1.6
71.14430	0.5
71.52051	0.8
72.80547	0.5
73.02899	0.6
75.04492	2.0
79.05499	16.2
79.84915	0.5
81.03427	10.1
81.07059	6.3
83.05000	1.1
85.02908	7.0
87.04479	1.2
87.54720	0.5
89.06029	0.8
91.05485	14.6
93.07050	66.0
95.04983	2.7
95.08607	3.0
97.02892	8.6
97.06549	1.6
99.04454	2.8
103.05494	2.2
105.04520	1.0
105.06400	0.4
105.07043	9.9
107.04973	1.4
107.08607	17.2
109.02893	6.7
109.06552	2.2
109.10168	0.6
111.04431	1.6
111.08110	1.5
116.06240	0.5
117.07042	0.5
119.04982	2.3
119.08607	6.3
121.06535	4.2
121.10153	100.0
122.10482	1.2
123.04443	0.7
123.08067	1.9
123.11708	3.9
125.05999	2.0
127.03933	5.2
129.05473	0.9
129.07021	1.4
131.08586	9.1
133.06601	0.7
133.07646	1.7
133.10159	1.4
135.04396	0.8
137.05980	4.2
139.11183	3.6
141.06995	1.0
143.08505	0.6
145.02937	0.7
145.04955	2.7
145.10158	1.3
147.04419	3.1
147.08069	1.4
149.05998	1.5
149.09630	44.7
150.09975	0.7
151.07530	1.0
157.10146	0.7
159.08051	1.1
161.05984	1.1
161.09698	1.0
163.03886	2.9
163.07655	0.6
165.05437	1.6
167.10695	27.3
174.06728	1.4
175.07594	1.2
177.05589	0.5
183.06400	0.6
187.11176	0.6
189.09175	2.6
191.10725	1.1
193.04942	1.9
201.09164	1.4
207.10205	1.3
209.04463	1.8
211.06049	3.0
219.08115	0.9
219.10144	9.0
229.07098	0.8
229.12299	0.6
247.13350	0.7
265.14380	0.9
275.12732	1.8
283.15341	2.2
293.13840	11.8
297.10986	0.6
308.32001	0.5
311.14908	36.4
312.15216	0.6
313.14185	0.8
329.15936	2.0
331.15225	0.9
341.13699	0.7
355.10172	0.7
359.14853	3.4
373.11118	0.6
377.15808	2.0
456.10834	0.5
503.19196	2.9
521.20313	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	737.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01864	2.3
55.05519	6.2
57.03435	1.5
57.07064	2.2
60.33911	0.8
61.02922	1.4
67.05502	9.3
68.37580	0.8
68.99796	1.0
69.03437	11.9
69.07070	7.0
71.04977	2.4
73.02940	1.0
78.81206	0.7
79.05502	9.9
81.03430	6.8
81.07065	23.8
83.01322	0.7
83.04994	8.4
83.08633	6.5
85.02915	26.6
87.00829	11.6
89.08793	0.9
91.05489	11.7
93.07047	27.1
95.04968	3.0
95.08614	39.8
97.02898	6.7
97.06478	1.1
97.10172	3.0
99.04447	3.4
99.08102	1.4
99.10948	0.8
105.01879	8.3
105.07040	29.9
107.08602	50.9
109.02878	10.1
109.06525	4.0
109.10162	25.0
111.04441	1.0
111.08079	7.4
112.78494	0.8
117.07068	4.6
119.08591	42.7
120.08985	0.8
121.10151	30.8
123.08072	2.5
123.11724	10.5
125.09641	27.9
127.03923	16.1
128.06221	0.8
129.07057	1.3
130.07794	1.3
131.08578	17.2
133.10135	35.2
135.04393	1.2
135.08081	1.8
135.11707	15.0
137.06001	1.7
137.09608	2.7
137.13293	1.5
139.07584	1.2
143.08565	9.7
144.09351	1.5
145.04941	3.1
145.10135	35.0
147.11703	17.8
149.09599	2.4
149.13281	9.9
151.11166	3.8
153.09074	1.5
155.08571	1.2
157.10179	6.9
158.10942	1.3
159.02902	2.3
159.11700	35.9
161.09685	1.3
161.13264	13.9
161.14470	1.4
163.03908	4.8
163.07541	1.8
163.11169	3.4
163.14825	8.8
165.12741	1.1
167.10701	1.0
169.10202	1.6
170.10878	1.0
171.11713	6.0
172.12494	1.7
173.09674	1.4
173.13280	18.3
175.11212	1.1
175.14845	18.7
177.09102	4.1
177.12781	1.4
177.16414	10.0
183.11671	1.9
184.12422	1.1
185.13315	5.9
187.14830	39.8
189.03984	1.3
189.16399	26.6
191.14297	7.7
191.17953	12.4
193.15883	2.9
195.11601	1.0
197.13286	2.6
199.14807	10.9
201.16402	39.2
201.18295	1.9
202.16844	1.0
203.14281	1.4
203.17953	13.1
205.15915	14.2
205.19516	2.3
207.17448	2.5
211.14848	2.6
213.03941	2.5
213.16403	17.8
214.32881	1.0
215.17957	23.8
217.15939	5.7
217.19453	4.9
219.17468	22.1
221.15404	1.0
225.16394	1.8
227.18025	3.6
229.15927	2.7
229.19585	2.9
231.05020	4.7
231.17456	1.7
231.21054	1.2
233.15350	1.2
233.19086	5.1
235.16930	13.8
237.16408	1.2
239.18056	1.9
241.19586	3.8
243.17363	1.0
243.21057	2.6
247.16974	19.4
249.18571	2.8
253.19666	1.5
255.21103	3.4
261.18573	10.2
265.19659	1.1
267.21115	6.7
269.22714	1.6
275.20117	1.3
281.22675	1.7
293.22595	1.5
301.21780	1.3
310.58972	1.0
311.23703	1.7
327.23257	2.2
341.24789	3.1
343.26602	1.0
377.31525	1.0
389.32059	11.8
395.29175	2.7
405.61963	0.9
407.33109	57.4
408.33545	1.7
409.34875	5.7
423.32751	4.1
425.33951	2.6
435.32663	26.5
443.35388	1.5
453.33676	100.0
454.33871	3.5
471.34439	2.1
701.38470	0.9
750.83234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	18.8
55.01878	37.0
55.05516	58.2
57.03442	24.2
59.05002	6.6
61.02922	15.1
67.05510	94.4
69.03434	35.6
69.07074	41.3
71.01369	5.6
71.04996	17.1
71.52212	5.0
73.02922	8.5
79.05501	94.8
81.03428	82.8
81.07062	100.0
83.01343	8.8
83.04990	33.2
83.08627	41.2
85.02922	35.1
85.06575	5.7
91.05484	78.4
93.07045	79.4
95.04979	41.5
95.08620	49.5
97.02898	31.0
97.06523	35.0
97.10181	40.1
99.04477	7.8
105.07039	71.1
107.04974	31.1
107.08607	60.2
109.02886	18.3
109.06507	19.5
109.10152	31.4
111.04434	14.4
111.08081	14.5
115.05462	4.8
117.07015	28.9
119.08598	66.3
121.06508	16.9
121.10156	37.1
123.08091	20.3
123.11749	6.6
125.05943	4.9
125.09621	27.2
127.03924	13.7
128.06161	5.0
129.07014	19.6
131.08586	34.6
133.06508	12.2
133.10138	38.3
135.08073	16.4
135.11678	28.2
137.09627	10.1
143.08586	12.9
145.06575	6.3
145.10117	51.4
147.08043	14.2
147.11694	29.4
149.09644	18.2
149.13290	12.1
153.12785	5.2
155.08542	9.8
157.10136	17.2
159.08081	5.3
159.11711	22.6
163.03860	5.8
163.11189	37.3
165.09151	5.4
165.12834	6.7
169.10101	7.8
171.10381	4.5
171.11713	7.3
173.04480	9.3
173.09613	4.8
173.13184	6.7
175.11223	12.8
177.12737	5.9
181.12376	7.0
183.11703	5.7
185.13237	6.9
187.11380	4.3
189.11198	13.3
189.12737	4.7
191.10699	10.7
192.48193	4.2
193.12263	24.8
193.74101	4.5
195.13803	6.0
197.13188	4.8
209.11864	7.2
211.13306	26.5
223.13266	8.8
227.12779	46.4
229.14308	8.2
229.19383	5.1
239.17981	5.3
246.94971	4.0
257.19113	8.8
267.15912	27.4
273.18475	18.3
275.20053	75.3
283.15439	82.9
285.16956	10.9
291.19598	48.5
293.21265	5.8
313.84598	4.6
331.22635	6.3
347.22284	7.7
349.23749	48.4
365.23343	28.7
427.19598	11.6
429.21194	8.5
437.25223	7.4
453.24921	15.0
461.28992	9.2
477.28412	24.6
487.66785	4.7
539.33685	13.1
557.34723	99.5
558.34760	8.6
575.35803	51.3
621.32513	7.7
639.31757	4.0
701.38898	7.5
719.40082	34.6
737.40753	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	737.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	16.9
55.01861	12.2
55.05515	43.5
55.50039	3.2
57.03440	37.7
65.03946	4.4
67.05506	63.1
69.03430	30.9
69.07060	22.3
71.04999	18.9
71.52450	4.7
73.02922	4.2
74.55832	2.4
79.05490	63.3
81.03421	100.0
81.07058	70.6
83.04987	32.8
83.08626	28.2
85.02908	26.1
85.06528	9.3
87.04469	4.6
91.05482	67.6
93.07044	52.8
95.04967	41.3
95.08619	30.7
97.02914	21.8
97.06532	26.0
97.10152	12.9
99.04462	5.9
99.08091	36.8
101.02378	2.9
105.07030	56.2
105.40682	2.5
107.04961	29.4
107.08593	33.0
109.02889	13.4
109.06506	26.2
109.10173	19.2
111.04444	12.5
111.08098	17.2
113.05927	6.7
115.05440	6.5
115.07529	6.3
117.07028	23.2
119.08585	41.4
121.06500	16.4
121.10138	23.0
123.04391	3.8
123.08080	11.3
123.11713	6.3
125.09597	8.5
127.03901	10.8
127.07554	14.4
128.06197	6.3
129.05505	4.3
129.07030	25.4
131.08586	34.1
133.06482	10.3
133.10127	27.1
135.04439	3.4
135.08052	17.4
135.10080	2.7
135.11687	11.4
137.05954	7.6
137.09660	5.4
142.07776	4.3
143.08542	12.7
145.06447	7.0
145.10138	21.2
147.08028	13.1
147.11676	21.7
149.09608	17.4
149.13229	3.4
151.07484	3.6
153.05467	3.8
155.08527	8.8
157.10149	19.2
159.08118	6.8
159.11713	12.0
161.09636	8.5
161.13301	6.7
163.03928	5.4
163.11258	17.0
165.12755	8.9
167.08548	3.9
169.10130	5.7
171.11693	10.8
173.04463	3.5
173.09616	8.1
173.13220	7.6
175.11215	19.8
181.10037	6.2
181.12198	5.7
183.11700	6.1
185.09656	5.6
187.11194	4.5
189.11189	5.0
189.12779	2.8
191.10667	6.5
193.12234	35.0
199.11124	3.2
199.14801	3.4
209.13406	3.3
211.13248	35.4
217.15849	9.0
219.13727	3.9
227.12743	15.6
229.14282	4.4
233.15233	3.6
251.20671	2.8
255.17459	4.3
257.19144	4.2
267.15918	21.3
273.15759	4.3
273.18500	29.8
275.20096	7.0
283.15424	9.7
285.16971	21.8
291.19522	33.2
299.72479	2.8
307.19061	5.6
329.20941	3.5
341.17508	3.2
347.22375	16.1
349.23770	5.5
355.17508	4.2
365.23309	17.2
399.21320	3.3
429.21143	7.9
447.29102	4.3
461.29007	3.8
465.29871	3.8
478.52634	3.1
483.30930	6.0
517.31396	5.0
539.33624	16.9
557.34650	38.3
575.35889	38.2
661.35590	5.1
683.37640	4.4
686.37524	3.2
701.38483	12.4
719.40027	21.5
737.41058	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.3
53.11286	1.8
55.01870	6.8
55.05512	33.5
57.03435	11.6
57.07072	4.4
61.02927	19.6
65.03922	4.7
65.27340	1.7
67.05506	59.0
69.03435	15.7
69.07069	20.5
69.75368	1.9
71.04987	9.3
73.02925	6.7
79.02648	1.9
79.05498	41.3
79.66065	1.8
81.03416	22.3
81.07065	52.8
83.04993	6.7
83.08617	15.7
85.02909	22.0
85.06551	5.5
86.85120	1.9
91.03949	5.5
91.05490	39.0
93.07049	41.8
95.04985	14.1
95.08610	40.1
97.02914	15.2
97.06528	8.4
97.10165	13.1
99.08099	5.5
105.07041	34.2
107.04988	6.6
107.08599	23.9
108.22485	2.0
109.02875	5.2
109.06540	8.0
109.10152	22.3
111.04469	2.0
111.08102	5.8
115.05450	3.8
115.15590	1.9
117.07014	20.3
119.08584	32.6
121.06474	8.3
121.10157	18.9
123.08073	6.0
123.11710	5.1
125.09634	16.7
127.03938	5.0
128.06258	4.6
129.07001	21.1
130.07809	4.4
131.08568	30.8
133.06551	3.7
133.10132	22.2
135.08034	5.0
135.11647	9.6
137.09604	3.0
141.06993	8.2
142.07800	4.4
143.08569	24.1
144.09387	3.0
145.06497	2.9
145.10126	29.6
147.04536	2.0
147.08073	6.2
147.11708	11.8
149.09613	4.5
149.13222	3.4
151.11186	3.3
153.09114	4.2
155.08569	12.7
156.09383	3.1
157.10123	28.6
159.08109	5.5
159.11717	22.9
161.09647	6.5
161.13260	4.6
163.11256	5.3
166.21385	1.8
167.08583	5.3
169.10118	19.2
171.11705	19.6
173.09630	3.4
173.11932	2.7
173.13261	12.4
175.11145	7.1
177.12813	2.8
181.10201	11.8
181.11842	2.2
183.11713	14.6
185.09593	3.1
185.13271	13.2
187.11150	4.4
187.14870	3.8
189.11241	7.4
189.12820	2.1
193.10439	2.0
193.12286	5.6
195.11714	12.2
197.13226	8.4
199.14824	7.6
201.12738	2.3
205.10048	2.2
207.11653	6.4
207.13525	2.2
209.11475	2.2
209.13234	7.9
211.13251	5.4
211.14862	6.5
215.14413	2.8
217.15845	2.3
219.11823	2.3
221.13298	2.1
223.14847	4.5
225.16403	2.8
227.12714	9.3
233.15463	2.2
237.16473	3.4
253.14240	2.5
255.17654	2.8
259.20709	2.3
267.15839	4.8
273.18439	7.1
275.20203	4.9
283.20618	5.4
285.22104	4.0
291.19516	9.3
299.23764	9.5
301.21643	2.5
303.23392	2.6
321.22119	3.1
325.21570	2.2
339.23102	4.4
347.22324	2.9
365.23486	3.9
390.08521	2.3
415.29800	3.9
421.25528	2.7
426.58075	2.4
433.31137	19.4
443.27841	5.8
451.31860	13.4
461.29202	3.4
465.33176	3.3
469.33109	4.9
489.33408	4.0
507.34772	12.5
517.35315	14.5
525.35779	90.8
526.35980	3.4
539.36823	4.1
543.36877	100.0
544.36945	2.5
557.38782	23.8
575.39880	30.1
679.40344	4.1
687.40845	6.0
705.41595	4.9
719.40247	6.5
729.59351	2.8
737.43866	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	738.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05519	0.2
57.03446	1.4
57.98467	0.1
63.02378	0.3
69.03429	1.0
69.47664	1.1
71.05000	7.5
75.04466	0.2
79.05485	0.3
81.03410	0.7
81.03839	0.2
83.04993	0.9
85.02910	7.8
85.78263	0.2
89.03923	2.3
91.05469	0.6
92.47327	0.1
95.04980	0.2
97.02901	2.6
99.04468	0.4
107.04958	0.9
109.02863	0.4
111.04441	0.6
117.03389	3.3
117.07020	0.7
119.04941	0.5
123.04427	0.5
127.03921	0.6
129.05490	2.2
131.04929	0.7
131.08540	0.2
135.04420	7.6
137.05994	6.2
144.37044	0.2
145.02855	8.2
145.06485	1.6
147.04425	0.2
147.06552	1.0
149.05986	1.4
151.07353	0.2
159.11740	0.3
161.06003	0.5
163.03912	100.0
164.04268	1.1
164.09276	0.2
165.05481	0.4
168.05661	0.2
169.06392	0.2
169.10143	0.4
173.05998	0.5
175.07599	0.3
178.06279	0.2
181.04973	1.7
187.11218	0.5
189.09125	0.5
191.07050	3.3
193.08617	0.5
197.09677	0.5
201.09183	0.2
203.10715	0.2
205.12248	1.0
215.10698	2.0
229.83249	0.2
231.10114	0.3
233.11737	11.5
234.12195	0.3
251.12811	4.4
273.07547	0.3
291.08746	0.3
307.08246	0.7
309.09741	1.7
325.09204	15.6
326.09378	0.3
361.16269	0.2
379.17673	0.5
471.15213	0.4
519.90448	0.2
539.44397	0.2
635.28864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01859	2.7
55.05503	3.7
55.10801	0.7
57.03418	1.9
57.07076	1.0
61.02915	2.6
65.03936	0.8
66.02602	0.6
67.05502	5.5
67.08138	0.6
68.99773	0.9
69.03429	10.9
69.07067	5.3
71.04987	2.2
71.52541	1.1
73.02911	3.6
77.03960	0.7
79.05497	5.4
81.03423	12.8
81.07054	9.3
83.04964	0.9
83.08611	3.7
85.02906	30.2
87.00830	13.9
91.03923	0.9
91.05479	4.0
93.06561	0.8
93.07051	8.8
95.08607	24.5
96.48756	0.7
97.02892	20.9
97.10152	1.1
99.04465	6.6
100.28765	0.7
105.01865	12.0
105.07036	10.7
107.08597	29.5
108.04487	2.0
108.08888	0.7
109.02885	15.3
109.09467	1.2
109.10162	13.8
111.08118	1.1
117.01826	1.2
117.07037	1.6
119.08585	21.4
121.10146	17.0
123.08002	0.8
123.11713	4.6
125.09623	1.3
126.05508	1.0
127.02975	1.2
127.03921	22.0
129.01837	1.3
131.08560	3.9
133.10141	17.1
135.08086	1.3
135.11687	11.8
137.13205	0.8
143.08476	1.3
145.04956	11.5
145.10120	11.3
147.11699	12.9
149.09621	1.5
149.13258	6.9
152.07861	0.7
153.09114	1.0
155.08513	0.7
157.10156	1.4
159.02904	5.9
159.11713	8.1
161.13257	8.9
162.40533	0.6
163.03848	0.9
163.11183	12.8
163.14793	6.9
165.09096	0.8
165.16299	1.0
171.11568	1.4
173.13281	4.3
174.13954	0.7
175.11288	0.7
175.14828	13.0
177.09229	0.6
177.16393	22.3
179.14287	2.6
185.13248	1.9
187.14827	15.2
189.16383	42.4
191.14328	0.7
191.17953	5.5
197.13026	0.7
199.14825	1.9
201.16356	9.5
202.16774	1.2
203.14297	0.9
203.17960	30.6
205.15881	100.0
205.19540	4.2
206.16212	1.5
207.17436	22.3
213.03940	2.1
213.16425	3.3
215.17966	4.8
217.19464	1.2
219.17459	1.3
221.19061	1.2
223.16936	1.8
225.16278	1.1
227.18008	1.0
229.19551	1.1
231.05049	8.0
231.17433	1.8
235.16901	3.1
241.19530	1.3
243.20949	0.7
245.19005	1.2
247.16956	2.4
248.07835	0.9
249.06075	1.8
249.18501	11.0
253.19261	0.8
261.18500	1.7
266.08759	1.5
267.21100	0.9
285.25830	1.2
295.24289	3.9
313.25299	7.5
331.26184	0.7
339.26886	1.2
349.28983	0.8
378.83105	0.7
391.33426	5.3
395.29401	1.0
408.33334	1.0
409.34653	60.9
410.35010	2.1
411.32486	1.3
427.35709	20.0
428.35538	0.7
436.32834	1.1
437.34149	37.0
438.34521	0.9
453.33374	1.0
454.34174	3.6
455.35175	10.8
473.36270	3.3
703.39825	0.8
738.38287	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.01876	2.0
55.05509	6.9
57.03441	13.2
57.07078	28.0
60.08155	2.0
67.05505	14.5
69.03424	1.6
69.07072	7.4
71.04992	2.2
71.08637	21.0
71.52718	1.7
79.05498	10.9
81.03422	57.6
81.07057	17.2
83.04971	3.9
83.08625	18.3
84.69649	1.4
85.10184	11.4
86.09705	10.1
87.67799	1.1
91.05489	11.8
93.07031	5.6
95.04984	15.5
95.08612	19.5
97.02905	2.1
97.06551	1.6
97.10165	4.6
99.11747	1.2
99.23858	1.1
103.07619	1.5
105.07026	8.3
107.04971	2.8
107.08604	3.7
109.06532	2.2
109.10157	5.9
111.08111	5.6
115.05396	1.8
119.08591	9.1
121.06516	2.6
121.10158	5.2
123.08060	2.5
123.11685	3.4
125.00032	9.5
129.07007	5.0
131.08560	4.9
133.06447	1.5
133.10123	3.0
137.13234	2.2
145.10170	1.2
147.08076	1.2
147.11673	4.8
149.09639	3.1
153.65829	1.2
157.10146	6.7
159.11636	1.2
165.12799	1.4
175.11183	6.6
184.07359	43.6
184.09021	2.2
184.42682	1.2
193.12259	24.5
193.82114	1.3
211.13252	1.5
241.35274	1.3
242.05566	1.2
248.42923	1.6
249.14961	1.9
257.24698	1.8
267.15930	100.0
276.92087	1.2
313.27380	98.4
314.27670	2.1
505.38907	79.1
506.39182	2.6
523.39624	1.8
547.39337	2.4
597.48639	2.3
688.44995	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	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01878	1.9
55.05516	11.1
55.05759	0.7
56.86837	0.3
57.03442	8.2
57.07083	2.1
61.02896	1.3
64.37024	0.3
65.03907	1.6
67.05508	37.7
67.06030	1.2
69.03381	1.1
69.07069	9.9
69.25626	2.4
69.26031	0.9
71.04989	2.5
71.08611	0.5
73.02908	0.9
77.03904	0.7
79.05497	31.8
81.03386	1.6
81.07061	35.2
83.01332	0.4
83.04992	3.4
83.08620	8.4
85.02859	1.2
85.06526	0.8
91.03912	0.5
91.05486	12.1
93.07047	40.7
95.04982	4.3
95.08613	43.1
97.02884	2.9
97.06527	3.2
97.10126	1.1
99.04462	2.0
99.08051	0.7
101.03838	0.4
101.92163	0.4
103.05475	0.8
103.25269	0.3
105.04507	0.5
105.07035	10.4
107.04312	0.4
107.04962	5.0
107.08598	26.9
109.06527	2.4
109.10160	10.2
111.04419	0.8
111.08041	1.6
115.05519	0.4
115.07522	0.4
117.07027	8.3
119.08590	11.9
121.05827	0.4
121.06523	3.8
121.10151	15.7
123.08013	1.4
123.11693	2.7
125.06027	1.9
125.06747	0.4
125.09605	0.6
130.07745	1.4
131.08582	4.0
133.10139	5.9
135.08018	1.6
135.11696	36.7
137.13197	0.7
139.07509	1.2
143.08517	0.6
144.31079	0.4
145.10132	21.5
147.11720	2.5
149.13255	2.9
153.12726	0.4
159.11691	1.9
161.13231	1.9
163.11186	38.7
163.14804	1.3
164.11522	0.5
173.09619	0.7
173.13283	2.3
175.14766	0.7
181.12228	6.3
184.07295	1.2
187.14755	1.2
201.16338	0.4
205.15930	0.4
209.11737	0.9
227.12794	45.2
228.13115	0.5
243.21092	2.3
261.22137	6.8
283.15402	50.3
284.15707	1.0
317.24802	2.0
335.25812	100.0
336.26031	2.0
456.86670	0.4
469.33072	0.4
543.36853	77.0
544.37366	3.2
561.37360	0.8
684.62811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
53.04184	0.9
55.01879	6.9
55.05516	21.7
55.05758	1.0
57.03441	15.8
57.07080	3.4
59.05003	3.2
61.02928	6.7
65.03905	2.4
66.04671	0.5
67.05509	54.8
69.03387	2.0
69.07076	12.5
69.79972	2.6
71.01321	1.2
71.04990	4.7
71.08588	0.7
73.02884	2.1
77.03864	0.9
79.05496	47.4
81.03423	11.3
81.07061	56.6
82.07363	0.6
83.00906	0.8
83.01340	9.6
83.04990	12.4
83.08624	15.6
85.02915	8.4
85.06519	2.4
91.03963	3.6
91.05484	28.0
93.07048	57.8
95.04969	8.8
95.08612	43.0
97.02893	5.4
97.06529	5.3
97.10175	4.7
98.20812	0.7
99.04479	2.9
99.08121	1.3
103.05436	1.3
105.04496	0.7
105.07041	20.6
107.04960	8.2
107.08600	31.4
109.02854	0.7
109.06524	6.6
109.10163	15.2
111.04439	3.2
111.08092	2.7
113.09655	0.7
114.65217	0.5
115.05423	1.1
117.07029	10.9
119.08585	16.1
121.06528	3.6
121.10153	25.1
121.11028	1.4
123.04418	0.7
123.08058	8.8
123.11720	4.6
125.05964	2.0
125.09658	3.0
127.03873	1.1
129.06978	2.3
130.07730	1.9
131.04857	0.6
131.08572	11.9
133.10144	9.4
135.08023	2.1
135.11703	23.0
137.09608	2.6
137.13222	1.7
139.07419	0.7
139.11069	0.6
143.08533	1.8
145.04932	0.6
145.06491	0.8
145.10130	21.4
147.08041	1.5
147.11696	6.8
149.09546	1.2
149.13272	5.4
153.12741	3.5
155.08521	2.1
157.10144	1.0
159.11703	5.7
161.13287	4.3
163.11191	24.9
163.14816	3.9
165.12712	0.6
171.11655	1.2
173.09642	3.5
173.13278	5.5
175.14825	1.7
177.16360	0.8
181.12224	3.5
185.13287	0.8
187.14841	3.4
188.29738	0.6
189.11206	3.2
191.10695	3.3
193.12170	1.3
199.14725	0.9
201.16383	1.2
203.58093	0.6
209.11694	7.1
209.13441	0.8
211.13184	1.3
220.62671	0.5
227.12776	10.6
233.22734	0.6
241.19524	0.8
243.21066	4.9
256.17847	0.6
259.20468	1.8
261.22171	16.9
267.15891	1.8
283.15408	93.6
284.15680	1.4
299.23746	4.3
315.23251	0.8
317.24771	5.2
333.24188	1.7
335.25812	100.0
336.26114	1.7
385.33560	0.6
415.30142	0.7
433.30530	1.2
451.32022	2.3
469.33154	1.7
487.34601	0.7
515.37231	1.2
525.35669	4.3
543.36841	80.5
544.36987	2.5
561.37848	1.8
565.37805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43431	0.6
53.03935	2.3
55.01875	6.3
55.05274	1.0
55.05517	16.2
57.03446	12.4
57.07061	1.9
59.04990	1.9
61.02927	4.9
65.03932	1.6
67.05508	33.8
69.03413	2.2
69.07073	9.4
71.01339	0.9
71.05000	3.8
73.02933	0.9
79.05499	29.6
81.03423	9.4
81.07062	36.6
83.01345	6.0
83.04993	8.4
83.08628	9.7
85.02914	6.1
85.06519	1.7
90.36160	0.6
91.03939	2.0
91.05486	19.1
93.07049	36.8
95.04977	5.4
95.08611	25.1
97.02896	3.4
97.06554	4.2
97.10185	3.3
99.04434	2.7
99.08101	1.0
105.04551	0.7
105.07036	13.0
107.04951	5.8
107.08601	20.7
109.06532	6.1
109.09473	0.9
109.10162	10.3
111.04433	2.3
111.08073	2.4
111.11682	0.7
117.07034	7.4
119.08590	11.0
121.06499	3.0
121.10147	15.9
123.08076	6.5
123.11703	3.9
125.05983	0.8
125.09625	2.6
127.03951	0.9
129.06987	1.4
130.07741	0.8
131.08575	7.1
133.10133	6.4
135.08092	1.2
135.11702	15.5
137.09651	1.6
143.08582	2.0
145.09056	1.2
145.10136	14.4
147.08080	0.9
147.11679	2.8
149.09557	1.2
149.13263	4.4
151.09938	0.6
153.12747	2.3
155.08595	1.6
157.10130	0.8
159.11664	4.2
161.13292	2.8
163.11195	18.8
163.14812	2.6
163.99052	0.6
173.09628	2.6
173.13300	3.6
175.14886	1.0
177.16382	1.0
181.12216	2.9
181.65697	0.7
184.07373	2.9
185.13330	0.8
187.14844	2.1
189.11249	1.4
191.10658	2.6
193.12242	1.0
201.16388	1.1
209.11736	6.7
211.13197	1.2
227.12782	9.8
239.52164	0.7
243.21091	3.3
259.20648	1.9
261.22195	11.1
267.15768	1.4
275.19894	0.7
283.15414	100.0
284.15646	1.6
299.23682	2.9
317.24753	3.8
333.24442	1.4
335.25824	73.4
336.26141	1.2
353.27063	0.7
357.24225	0.8
372.51862	0.7
376.42142	0.6
415.30112	0.9
424.77359	0.9
433.30759	1.2
451.32294	3.2
469.33267	1.6
487.34122	1.3
525.35962	4.5
543.36884	50.5
544.37140	1.7
561.37909	3.6
609.32800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01869	2.9
55.05518	14.3
57.03443	8.4
57.07048	2.2
61.02900	1.7
65.03908	2.2
67.05509	40.7
69.03399	1.4
69.07075	11.4
69.25549	3.9
71.04954	2.4
73.02898	0.9
79.05499	36.3
81.03396	1.7
81.07063	43.3
83.01310	0.7
83.04983	3.9
83.08620	9.1
85.02861	1.4
85.06523	1.4
91.03926	1.1
91.04916	0.7
91.05479	15.2
93.07049	53.3
95.04983	6.1
95.08613	51.8
95.36982	0.6
97.02902	4.3
97.06525	4.4
97.10148	2.3
99.04453	3.7
103.05441	0.8
103.82459	0.6
105.04483	1.0
105.07040	13.1
107.04961	8.8
107.08601	35.1
108.08878	0.8
109.06477	2.0
109.09498	0.7
109.10158	11.9
111.04460	1.3
111.08046	2.0
113.05968	0.8
115.05493	0.7
115.23875	0.6
117.07025	10.5
119.06167	0.6
119.08586	15.8
121.06538	4.7
121.10154	21.0
123.08093	1.2
123.11680	3.0
124.33858	0.6
125.05968	2.4
130.07759	1.6
131.08600	4.9
133.10118	6.5
135.08130	3.0
135.11700	52.3
135.47754	0.5
137.09586	0.9
137.13243	0.6
139.07498	1.8
143.08566	0.7
143.87860	0.6
145.10133	28.0
147.11649	2.3
149.13283	2.9
155.08495	0.8
159.11684	2.8
161.13231	2.4
163.11194	62.5
164.11519	1.0
171.11665	0.8
173.09555	0.8
173.13219	2.2
175.14748	0.6
175.24663	0.5
181.12227	8.7
183.50446	0.5
187.14771	0.9
202.53789	0.6
209.11745	2.4
227.12793	67.6
228.13144	1.4
243.21060	1.9
245.17993	0.6
261.22168	9.1
283.15414	100.0
284.15878	1.7
299.23697	1.1
317.24802	2.7
335.25818	98.0
336.26129	2.6
378.00436	0.6
469.32657	0.8
543.36847	89.4
544.36993	3.9
561.37701	1.0
759.73956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01876	1.9
55.05513	18.4
57.03440	15.9
57.07079	1.3
58.29799	1.1
59.04996	1.2
61.02906	3.0
65.03932	2.1
67.05507	47.4
69.03426	3.2
69.07068	14.1
69.24453	1.8
69.24863	6.5
71.04992	4.6
77.03892	1.3
79.05497	38.9
79.05970	1.9
81.02931	1.5
81.03421	40.2
81.07058	48.4
83.04982	10.7
83.08617	17.6
85.02901	18.2
85.06537	1.5
90.32294	1.0
91.03949	1.7
91.05483	31.2
93.07047	36.2
95.04976	17.0
95.08611	35.5
97.02887	4.9
97.06543	5.3
97.10158	3.3
99.08109	1.3
105.07027	23.7
107.04958	3.5
107.08589	16.9
109.06509	4.1
109.10165	12.6
111.08073	5.8
113.06007	1.3
117.07024	3.5
119.08577	18.3
121.06548	1.2
121.10146	17.2
123.08098	1.6
123.11697	3.3
129.07022	6.5
131.08578	12.7
133.06425	1.6
133.10136	11.8
135.11679	7.2
135.94431	1.0
137.13295	1.5
143.08604	1.8
145.10109	4.1
147.08064	2.9
147.11716	10.6
149.09633	4.1
149.13264	2.8
157.10139	10.1
159.11693	2.6
161.13292	2.3
163.11250	1.1
163.14784	1.5
165.12770	1.8
166.95238	1.0
171.48846	1.1
173.13214	2.8
175.11166	9.3
175.14784	1.3
187.14867	1.0
193.10461	1.3
193.12244	27.3
211.13287	36.3
214.75479	1.0
227.12782	1.0
234.56339	0.9
243.21126	2.4
261.22098	8.5
267.15878	12.3
285.16946	45.4
301.25211	0.9
317.24768	2.9
334.53998	1.0
335.25806	77.8
336.26059	1.7
435.32785	1.1
527.37384	14.6
545.38385	100.0
546.38220	3.5
588.56470	1.2
750.71429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.01864	2.7
55.05272	1.2
55.05514	18.9
56.55859	0.6
57.03157	1.0
57.03436	16.3
57.07064	1.3
61.02929	4.2
65.03944	1.7
67.05507	46.4
69.03429	4.4
69.07076	11.6
69.28146	4.1
69.28571	2.6
71.04998	4.2
73.02900	1.0
77.03919	0.7
79.05495	38.2
81.03423	51.3
81.07059	51.8
83.04984	14.3
83.08623	22.2
85.02908	21.8
85.06533	2.3
91.03941	1.4
91.04902	1.4
91.05484	34.2
93.07049	35.9
95.04369	1.5
95.04972	22.2
95.08610	32.0
97.02891	4.2
97.06514	4.0
97.10184	5.1
99.08090	1.5
105.04580	0.9
105.07033	24.1
107.04943	5.3
107.08602	18.7
109.06532	4.8
109.10162	11.5
111.04440	1.0
111.08092	8.2
113.06022	2.0
115.05457	1.4
117.07011	4.1
119.08585	22.4
121.09327	1.5
121.10147	18.0
123.08048	2.9
123.11722	4.3
125.09649	1.7
127.07531	1.0
129.07004	10.7
131.08566	11.8
133.06503	2.0
133.10138	15.6
135.08110	0.8
135.11685	7.1
137.09608	2.5
137.13251	1.1
139.11334	0.9
142.07733	1.8
145.10115	6.0
147.08037	2.3
147.11700	15.8
149.09656	5.4
149.10698	1.1
149.13280	3.1
151.11166	0.9
157.10136	12.3
159.11702	3.6
161.13272	3.0
163.11195	0.8
163.14836	2.1
165.12788	3.9
173.13237	2.8
175.11180	12.0
175.14735	0.8
176.79681	0.8
187.14789	2.0
193.12248	37.0
211.13295	71.6
227.12907	1.3
243.21133	2.4
261.22134	8.6
267.15921	15.5
285.16974	81.9
286.17178	1.0
301.25180	1.4
317.24792	2.7
319.96466	0.8
335.25815	74.2
336.26062	1.3
353.27512	0.8
435.32690	3.1
453.33585	2.6
471.34381	1.6
472.21851	0.8
527.37317	13.3
545.38391	100.0
546.38544	2.5
734.34131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94334	0.9
53.03938	3.9
55.01878	6.1
55.05516	25.7
57.03440	17.1
57.07068	4.0
59.04997	2.3
61.02929	8.5
61.78665	0.9
65.03935	3.0
67.05508	61.2
69.03422	2.3
69.07073	22.9
69.54971	5.0
71.04993	4.7
71.08640	2.5
74.88229	0.9
79.05498	34.8
81.03424	13.1
81.07059	66.0
83.01340	7.0
83.04984	11.7
83.08618	18.7
85.02924	10.5
85.06548	2.8
91.03971	3.5
91.05484	25.3
93.07050	33.3
95.04971	9.1
95.08611	46.4
95.70651	1.0
97.02908	6.1
97.06521	8.6
97.10162	8.6
99.04444	3.0
99.08064	3.0
105.07037	20.0
106.48111	1.0
107.04969	6.4
107.08597	22.2
109.06515	7.0
109.10157	20.7
110.33130	1.0
111.04457	1.0
111.08095	4.7
111.11742	1.5
117.07047	6.8
119.08588	13.9
121.06507	3.1
121.10146	16.4
123.08091	7.5
123.11698	6.8
125.09626	1.6
129.07040	3.7
131.08572	5.6
133.10153	8.6
135.07993	1.8
135.11693	14.0
137.09627	2.2
137.13286	2.7
145.10130	13.6
147.08032	2.1
147.11694	6.3
149.09624	1.6
149.13280	3.3
151.11221	1.1
151.14868	1.5
153.12743	2.0
155.08629	1.1
157.10153	3.0
159.11696	1.4
161.13268	3.8
163.11189	19.4
163.14828	1.9
165.12712	1.1
173.09618	2.0
173.13176	1.8
175.11264	1.9
175.14847	1.8
181.12294	2.0
184.07358	1.5
189.11276	1.7
191.10570	2.1
193.12170	2.6
208.21371	1.0
209.11728	4.4
211.13266	2.8
227.12787	6.5
243.21149	2.2
245.22804	2.5
261.22147	4.0
263.23596	5.2
267.15887	7.6
283.15399	93.4
285.16949	22.0
335.22305	0.6
335.25797	22.6
337.27377	100.0
338.27863	1.4
399.85770	1.1
453.33511	2.2
527.37537	8.4
545.38409	93.5
546.38702	4.0
563.39325	3.5
601.51740	1.1
742.44128	7.3
771.30988	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3067
Annotation	Diarctigenin
Peak:m/z	Relative Intensity
52.56802	0.5
53.03941	0.5
56.05665	0.4
65.03956	0.7
67.05508	1.0
69.07078	0.5
69.89801	0.4
71.52227	0.6
78.04709	0.6
79.05487	1.5
80.06279	1.0
81.07071	1.0
91.05486	6.5
93.07057	1.7
94.04166	0.6
95.04987	0.9
103.05468	3.0
103.31717	0.5
105.03397	0.5
105.07053	1.1
106.04213	1.0
107.04967	8.3
107.08523	0.5
108.05755	3.7
109.06493	0.7
115.05473	3.2
116.06260	0.9
117.07026	4.7
119.08625	0.7
121.06512	8.5
121.10156	0.6
122.03661	1.1
123.08056	0.6
128.06224	1.1
129.07004	1.7
130.04153	2.0
131.04942	6.6
131.08629	0.6
132.05707	0.5
133.06508	1.4
134.07318	0.7
135.04424	3.2
135.08044	0.7
136.05234	4.7
137.05986	13.3
139.07466	0.6
141.07008	0.9
143.08580	0.6
144.05719	0.9
145.06502	5.4
146.07278	20.0
147.04434	1.0
147.08075	4.1
147.16539	0.5
149.06007	1.5
149.09628	0.6
150.06834	0.7
151.07553	100.0
152.06110	0.7
152.07912	0.6
153.07019	2.1
154.07736	0.7
155.08582	1.4
157.06525	2.7
158.07254	1.4
159.04495	0.7
159.08034	2.8
160.05211	9.6
160.08855	1.8
161.06023	2.3
162.06770	4.4
163.07561	3.2
165.05493	2.0
165.07001	2.1
165.09091	2.9
167.08563	0.5
168.05708	2.7
169.06500	0.6
170.07269	0.7
171.08049	0.7
172.05136	0.5
172.08871	3.6
173.06042	1.5
173.09648	0.7
174.06749	2.7
175.07591	3.9
176.08374	1.1
177.09117	45.7
178.07765	1.2
179.07010	1.7
179.08585	3.2
181.06535	1.3
182.07307	2.1
183.08057	2.5
184.07457	0.6
185.06026	1.4
187.07552	2.0
188.08357	3.8
189.05493	0.6
189.09129	9.7
191.10643	3.4
193.06535	1.3
195.08067	1.9
196.05208	3.9
196.08838	0.8
197.05988	1.1
197.09636	2.0
198.06796	1.3
199.07581	1.5
200.08313	1.8
201.09116	2.5
203.10655	7.7
205.08574	1.0
207.08069	6.1
209.06050	1.2
209.09665	0.7
210.06741	4.0
211.07555	13.3
212.08286	1.5
213.05498	4.8
213.09122	2.1
217.08556	0.9
219.08142	0.7
219.10149	0.7
220.08873	0.5
221.06026	1.7
222.04643	0.5
222.06700	0.8
223.07596	2.1
224.04707	1.8
224.08408	1.6
225.05678	0.9
225.09122	13.5
226.06230	2.6
226.09819	0.5
227.07007	2.7
228.07832	6.0
229.08533	0.6
231.10208	1.9
233.09792	0.6
235.07536	3.1
237.09099	1.2
238.06300	1.6
239.07040	29.7
239.10838	1.3
240.07881	2.1
241.05046	1.0
241.08672	4.7
242.09351	1.0
243.06564	0.8
243.10187	1.7
247.07411	0.6
247.09592	0.6
248.08336	1.0
249.09036	0.8
249.11237	1.4
251.07109	0.9
252.07881	1.1
253.08624	41.6
254.09253	1.6
255.06487	1.2
255.10193	3.3
256.07324	4.3
257.08096	1.9
259.09717	1.7
261.09116	1.4
263.07059	0.9
263.10550	0.8
264.07840	0.7
265.08594	1.8
267.10208	2.5
270.08853	2.3
271.09671	62.3
272.10117	1.4
273.11264	1.1
276.07932	1.0
277.08600	1.5
278.09293	0.8
279.10120	1.1
280.07321	1.1
281.08124	3.7
282.08817	0.8
283.09674	1.7
285.11227	40.1
287.12729	0.8
290.09509	0.7
291.10178	2.1
292.10992	0.6
293.08112	1.1
293.11755	1.0
295.09756	2.4
297.07758	1.4
297.11322	1.2
298.08224	1.1
299.09195	2.5
303.09946	0.6
305.08228	0.6
305.11652	1.3
307.09766	0.8
309.11362	1.3
311.09204	2.4
313.10712	6.6
319.09738	0.8
321.11655	0.6
323.12753	1.3
337.10870	2.0
351.12579	2.6
364.11041	0.9
365.11829	1.0
379.13422	1.1
381.11258	1.2
383.12741	0.6
395.12747	0.7
396.13766	0.8
397.14355	1.9
408.13702	0.7
411.16284	0.7
424.13025	1.0
425.13873	1.3
429.16943	0.7
438.14551	0.5
439.15302	4.0
440.16162	0.9
457.16394	3.3
459.34937	0.5
461.19849	0.8
471.18118	2.6
475.17548	4.6
477.18036	0.5
489.19138	21.4
493.18558	1.1
507.20197	44.6
508.20300	1.8
513.18854	0.6
517.18372	0.7
519.20166	0.6
531.20032	1.4
543.20178	0.8
549.21198	1.9
573.21802	0.6
649.80701	0.6
657.25195	0.6
661.25238	0.6
675.25684	2.1
689.26605	1.1
693.27277	3.9
707.28418	9.6
711.28241	6.1
725.29596	61.2
726.30090	3.7
743.30573	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	743.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01863	1.2
58.35863	0.7
60.35881	0.6
60.60622	0.7
65.03922	1.6
66.04729	0.8
67.05471	1.2
71.05876	1.1
71.06186	0.8
72.35849	0.6
73.96169	0.6
75.33028	0.6
77.03959	0.8
79.05495	4.1
80.06290	1.2
80.08565	0.6
81.07036	1.5
91.05489	8.1
93.03403	0.6
93.07042	1.5
94.04179	1.2
95.04951	1.8
95.08584	0.7
103.05482	4.3
105.03401	1.2
105.04539	0.8
105.07018	3.1
107.04960	10.6
107.08612	1.0
108.05743	3.2
109.06519	2.7
111.13483	0.8
115.05438	3.5
117.07057	3.9
119.04955	2.2
121.06508	16.8
122.03671	2.4
122.07335	1.0
123.04433	2.8
123.08055	1.9
124.43751	0.6
125.06004	0.8
125.99737	0.6
128.06227	2.2
129.06970	3.8
129.27303	0.6
131.04904	7.9
131.08563	0.9
131.93343	0.8
132.05710	2.2
133.02856	0.8
133.06500	3.7
135.04428	6.5
135.08070	9.6
136.05200	7.2
136.08835	0.8
137.05988	28.4
138.03111	1.2
138.06784	0.9
141.06952	1.5
143.04933	1.4
143.08565	2.1
144.05696	2.0
145.06496	8.8
146.07278	15.9
147.04395	2.8
147.08066	3.9
149.05971	4.2
149.09695	1.1
150.06754	1.0
151.07549	100.0
152.08267	2.1
153.05469	8.7
155.06107	0.9
156.05725	1.1
157.06528	4.6
158.07309	4.7
159.06880	0.7
159.08061	5.1
160.05220	4.2
160.08838	2.5
161.02260	0.8
161.05975	6.8
162.06773	4.6
163.07568	2.9
165.05513	4.6
165.09134	4.0
167.07051	1.5
167.08636	0.7
167.91765	0.8
171.08055	1.5
172.08849	14.3
173.05969	8.1
173.09540	1.6
174.06770	6.7
175.07535	8.4
176.08321	6.0
177.05521	2.0
177.09114	36.2
179.07043	7.5
179.08420	1.2
181.05019	2.0
185.05908	0.9
187.07562	2.2
188.08327	21.4
189.09109	21.2
191.07086	1.5
191.10692	3.4
193.05026	3.4
197.05954	0.8
197.09665	1.0
198.06850	0.9
199.07657	0.9
201.09207	4.5
203.06993	2.8
203.10674	24.0
205.08536	1.2
211.07503	1.0
212.08347	0.8
213.05446	1.3
217.08611	1.1
219.08151	1.7
219.10112	8.2
220.08849	0.9
221.09702	1.0
225.09074	1.6
227.07097	1.1
228.07600	1.2
229.08665	1.9
231.08138	0.9
231.10095	0.9
232.08978	1.0
233.09776	1.1
235.07584	1.4
236.08406	0.7
239.07108	1.2
239.10622	1.0
240.07927	1.2
241.08653	1.6
243.10181	1.2
245.09709	1.3
247.09669	54.0
248.08162	1.3
249.09053	1.5
249.20432	0.8
250.09897	0.8
252.40724	0.7
253.08533	1.6
254.09344	1.0
255.10219	2.8
256.07364	0.9
257.08197	2.0
258.10434	1.0
260.08182	1.4
261.09128	1.9
262.09894	1.8
263.07086	1.1
263.10709	3.0
264.07809	0.9
265.08600	1.0
267.10242	1.2
268.07224	0.8
270.08890	2.9
271.09677	13.9
274.09927	2.1
275.10675	1.7
277.08658	3.2
277.11908	0.8
278.09464	1.8
279.10153	2.4
281.11694	1.2
283.09689	0.9
285.11246	10.7
289.12332	3.3
290.09280	1.9
291.10175	4.0
292.10815	1.0
293.08191	1.0
293.11560	1.6
294.08948	0.7
295.09650	1.8
299.09283	0.9
301.10760	2.2
305.11743	4.1
306.09210	1.2
306.12494	2.5
307.09775	1.6
307.13330	2.2
308.10434	1.3
309.11264	2.6
310.11932	1.3
313.10651	2.3
319.09631	1.2
319.13202	1.5
320.10635	1.2
320.13965	4.2
321.11203	5.8
321.14929	1.5
322.12015	1.1
323.09149	1.5
323.12860	1.7
327.12103	0.8
335.12885	1.8
336.10126	1.2
336.13635	7.3
337.10574	1.9
337.14368	1.1
338.11371	1.2
339.12262	1.4
339.15820	4.7
341.13873	2.6
351.12225	5.3
353.13751	1.2
355.11575	1.5
355.15436	1.8
369.13315	10.5
371.14734	1.2
387.14368	2.3
457.16513	1.6
461.19730	0.9
471.18201	1.2
475.17609	1.5
489.19031	6.6
507.20221	18.7
508.20886	1.0
549.20538	1.2
675.26154	1.0
688.52258	0.8
693.26923	3.8
707.28125	3.1
711.28088	5.7
725.29559	47.3
726.29559	2.3
736.04858	0.9
743.30170	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	743.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09906	0.8
65.53536	0.8
67.05503	1.0
71.41502	1.5
75.04479	2.7
79.05493	1.2
81.03418	1.1
81.07037	1.7
91.05474	3.3
93.07014	1.2
97.02905	0.8
105.07058	1.7
107.04971	5.9
107.08608	1.1
108.05740	3.6
117.07040	1.3
121.06531	2.2
131.04939	1.3
131.08568	0.8
135.04439	1.8
136.05188	2.5
137.05965	4.2
145.06543	1.7
146.07262	5.0
151.07555	100.0
158.07294	2.5
159.04346	1.2
161.05984	1.3
163.03893	1.1
165.06956	3.2
165.09155	4.4
172.03958	1.0
172.08855	2.1
174.06749	4.8
175.07620	1.6
177.09105	7.5
179.07068	1.8
188.08348	2.8
189.09122	14.1
191.07100	2.0
191.10738	1.9
193.06525	2.2
195.08203	1.3
197.06065	1.5
201.09109	9.4
203.10710	6.5
204.06596	1.2
211.07570	12.2
219.10251	1.8
221.06033	1.6
225.09094	1.3
227.06978	1.3
231.07961	1.9
239.07062	19.7
240.07544	1.9
241.08661	2.2
247.09706	2.1
249.09166	2.6
253.08620	3.0
255.06480	2.2
255.10234	4.6
256.07446	1.0
271.09689	20.3
277.08618	3.1
279.10196	2.4
283.09546	4.4
289.08633	1.7
291.10129	3.8
293.08163	1.2
294.09045	1.3
297.11243	1.2
301.08554	1.5
303.10056	2.0
304.10901	1.5
307.09668	2.0
309.11343	2.8
314.09421	1.7
315.10193	2.6
319.09634	1.1
321.11295	3.6
323.12976	1.5
328.10919	1.5
329.08304	2.2
330.08734	1.6
331.09613	1.1
333.11295	2.5
335.12766	1.5
337.10825	1.6
343.09592	4.1
344.10437	2.9
345.11325	1.3
351.09683	0.9
355.09528	1.6
356.10403	1.3
357.07416	1.4
357.11172	1.9
358.12170	1.4
358.88708	0.9
359.12753	2.8
360.09991	1.3
361.10822	1.9
363.10281	1.0
364.10825	1.2
367.11783	2.9
369.11136	1.6
371.09140	2.3
371.13251	1.4
372.09879	4.8
373.10709	2.9
374.12006	1.3
375.12518	2.0
378.12585	1.0
381.11044	1.4
386.11493	1.7
387.12311	5.1
388.09268	1.1
390.10959	2.4
395.13025	1.5
397.14481	1.4
399.12332	1.3
401.13809	1.6
402.10962	2.0
403.11703	4.1
404.12573	1.7
409.14679	1.5
411.12070	1.7
417.13144	2.6
418.13928	1.3
419.14975	3.2
425.13803	2.1
427.15634	2.2
431.14557	1.0
439.15417	3.5
459.18115	2.6
471.18033	3.1
487.17200	1.2
489.19540	4.2
505.18622	43.8
506.18854	1.6
519.19983	2.6
545.21484	2.4
557.21820	2.2
608.20251	2.1
639.21820	4.5
654.24634	65.4
655.25275	19.7
667.24756	1.7
675.25903	6.4
676.26117	2.9
677.26385	2.0
689.27277	2.4
695.28223	1.6
707.28558	20.1
725.29291	2.2
743.41455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05514	1.7
57.03434	1.6
61.02931	4.9
61.58458	0.2
65.03949	0.3
67.05507	4.1
69.03438	2.8
69.07084	1.5
69.19534	0.2
71.01349	0.3
71.04984	0.5
71.16923	0.4
73.02925	3.9
79.05498	4.5
81.03419	2.0
81.07066	4.9
83.04990	0.7
83.08624	0.9
85.02914	5.1
87.04467	0.3
91.03965	4.0
91.05501	3.0
93.07052	4.2
94.84343	0.2
95.04977	0.4
95.08615	3.8
97.02897	4.4
97.10202	0.4
99.04456	1.3
101.02392	1.8
103.03949	0.3
105.07041	2.3
107.08585	2.1
109.02881	0.6
109.06518	0.4
109.10158	1.8
109.98274	0.2
115.03924	0.3
117.07092	0.4
118.82690	0.2
119.08623	1.2
121.10162	1.4
123.11696	0.3
127.03912	1.5
129.06972	0.4
131.08585	0.8
133.10208	0.8
133.64594	0.2
135.11707	1.1
143.08591	0.3
145.04988	0.3
145.10155	0.5
147.11752	1.0
150.07622	0.2
161.09741	0.3
161.13315	0.4
168.66460	0.2
171.11832	0.6
185.04277	0.7
203.05399	0.4
243.08443	2.3
247.13051	1.5
261.22098	0.3
303.15891	0.3
335.25833	0.5
465.21005	4.5
519.29291	7.2
536.50098	0.2
546.39050	0.3
743.43439	100.0
744.43768	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	744.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01878	1.3
55.05518	11.1
57.03447	7.2
57.07081	1.7
57.56073	0.5
58.43095	0.5
59.05006	2.3
61.02934	2.6
65.03941	2.6
67.05511	91.5
69.03439	2.4
69.07075	11.1
69.30399	2.9
69.30827	1.3
71.05000	17.5
71.08626	0.6
73.02919	1.4
77.03955	0.8
77.12958	0.5
79.05501	32.7
81.03427	5.1
81.07065	38.4
82.07404	0.5
83.05000	4.3
83.08625	9.0
85.02911	4.3
85.06552	3.1
85.10078	0.5
87.79228	0.5
91.03989	0.6
91.04910	0.8
91.05073	0.4
91.05489	22.2
93.07052	40.7
94.07404	0.5
95.04986	3.8
95.08614	31.2
97.02898	1.8
97.06544	4.5
97.10191	2.3
99.04469	0.6
99.08109	1.3
105.04498	0.8
105.07043	10.8
107.04947	0.6
107.08602	18.8
107.09308	1.0
109.06554	1.5
109.10167	59.0
110.10515	0.8
111.08105	2.0
113.09608	0.6
117.07011	4.3
119.08595	15.7
121.06531	1.0
121.10155	15.6
123.08054	1.1
123.11732	2.2
125.09653	1.1
129.07045	1.0
131.08585	6.3
133.10146	6.5
135.08060	0.9
135.11714	15.4
137.09628	6.9
137.13252	0.5
139.11240	1.2
143.08536	0.8
145.10146	6.3
145.11176	0.8
147.11713	4.3
149.13316	2.8
155.08476	0.5
155.10628	2.9
157.10149	1.8
159.11670	3.4
161.13312	2.4
163.11189	3.1
163.14792	1.1
165.12833	0.8
169.12285	1.2
171.11632	0.8
173.04375	0.5
173.11787	7.1
173.13318	2.7
175.11198	0.9
175.14885	1.2
181.12328	1.2
184.07365	1.0
187.13351	1.2
187.14877	1.3
193.12296	2.0
199.14890	0.8
211.13322	3.0
213.14969	0.9
227.12817	0.7
229.14319	1.4
243.15956	1.7
243.21140	0.8
255.15894	4.0
259.20828	0.6
261.22177	2.8
267.16010	1.6
285.16910	3.6
285.22116	0.8
287.18539	19.1
333.24292	0.7
335.25824	29.5
336.26239	1.1
337.27411	4.5
397.31180	1.0
448.04617	0.6
471.34586	3.5
489.35785	100.0
490.35910	2.9
503.37393	2.6
515.37390	13.1
521.38092	0.6
529.39459	1.3
533.38696	1.3
547.40009	88.4
548.40131	3.3
744.45801	6.8
745.42163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
56.06131	0.3
56.96565	11.0
56.96835	0.4
57.03413	0.5
57.49001	0.3
61.02891	0.5
66.84051	0.3
69.03389	1.3
71.95226	0.5
73.02885	0.6
74.97613	0.3
78.11335	0.3
79.05452	0.9
81.03394	0.4
81.07027	0.5
84.96045	3.6
85.02909	3.3
89.03872	0.6
91.03910	0.4
91.05450	0.3
95.08503	0.3
97.02852	1.2
98.97588	36.2
105.00153	1.1
107.04941	0.3
107.08548	0.5
109.02843	0.3
109.06492	0.5
110.97572	2.2
112.99084	0.6
116.74806	0.3
116.98624	12.2
117.03343	0.3
119.04906	0.3
123.01154	1.0
124.99101	0.7
127.00594	0.4
127.03880	0.8
128.98604	2.1
131.00160	0.7
132.99605	0.9
134.99664	1.9
135.04399	1.5
137.05980	3.7
138.06274	0.4
139.00662	0.5
143.00121	1.3
144.98112	0.4
145.01720	0.4
145.02829	0.7
145.04918	0.7
146.99689	1.4
147.01143	1.1
147.04413	0.6
151.00659	1.8
152.05603	0.4
152.98521	0.4
153.02188	0.7
158.99661	13.5
159.01042	0.7
160.99146	0.6
161.01196	0.8
161.02670	0.5
163.00548	0.5
163.03906	7.5
165.02229	1.2
165.05429	0.3
166.32159	0.3
167.00177	0.4
167.02769	0.3
168.99881	0.4
169.01694	1.3
170.00677	0.3
170.99623	1.1
171.03221	0.7
172.05756	0.3
173.01180	0.7
177.00670	9.1
177.02216	8.1
178.00394	0.5
179.00075	2.4
179.03755	1.4
180.00201	0.4
181.01733	0.7
182.99686	1.9
183.03178	0.3
183.49812	0.4
184.28972	0.3
185.01219	0.9
187.00758	0.3
187.02739	0.6
189.00801	1.7
191.03905	0.4
192.00221	1.5
193.01701	0.8
193.04979	1.3
194.99716	1.6
195.01843	0.5
195.03296	9.9
196.94351	0.5
197.01241	4.5
197.04816	0.8
198.01291	0.5
201.00725	2.7
203.00127	0.5
204.00111	2.4
205.01677	2.9
210.01324	0.6
211.02841	1.8
213.00755	3.8
213.04320	1.3
214.95389	0.9
215.02257	1.8
215.05872	0.5
217.00221	0.3
219.01863	5.3
221.01193	3.9
222.01245	4.7
222.51385	0.4
223.00758	0.6
223.02795	9.3
224.03047	0.4
225.00661	0.5
229.03847	1.7
231.01740	1.7
234.01271	1.8
234.51540	0.4
235.02824	0.7
237.02744	3.2
239.02280	8.6
241.01329	0.4
241.03830	6.3
243.01759	1.6
243.99289	0.4
249.00571	5.2
252.02399	0.7
253.04105	1.4
257.03299	3.4
258.01337	0.5
259.04895	0.6
261.02771	0.9
265.00101	2.7
265.03934	1.7
267.01752	9.1
271.04782	0.7
273.02826	2.3
276.02228	0.8
279.01675	0.4
279.51819	0.4
282.03482	1.5
283.01248	6.4
283.04825	1.4
285.02823	74.9
286.03125	1.3
288.02344	0.5
289.07529	0.5
290.06696	0.4
293.05002	0.5
293.61996	0.3
294.02643	0.4
295.04819	0.7
297.02615	0.5
301.02054	0.5
303.03879	87.0
304.04160	1.9
305.04266	0.9
308.04346	1.6
309.02756	16.6
310.03128	0.4
311.06143	0.8
321.05011	0.8
325.05801	0.4
326.05356	1.4
327.03879	100.0
328.04218	1.9
329.04193	0.5
339.04053	0.3
341.05664	0.5
345.04962	15.4
346.04999	0.4
348.04364	0.5
350.05447	2.9
355.06808	2.2
357.04904	0.7
362.09735	0.4
369.04932	34.2
370.05157	0.9
373.08121	4.2
379.10629	0.8
387.05969	8.5
410.07535	0.7
415.09183	1.2
429.07047	61.5
429.57184	6.4
430.07315	1.5
447.08118	33.9
448.08490	0.9
470.09869	2.1
495.11411	0.3
517.12122	0.5
521.14240	0.4
539.14642	1.3
540.76654	0.4
549.24982	0.3
565.12500	3.0
569.15198	0.4
587.13086	0.6
587.63464	0.3
621.13232	0.4
659.45526	0.4
745.18622	17.2
746.19318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05082	0.7
70.16409	2.7
79.05470	1.0
80.33723	0.6
81.03416	2.1
91.05482	2.2
93.03403	0.7
94.04180	2.0
95.25644	0.7
103.05466	1.5
107.04951	3.1
108.05746	1.0
109.06496	1.3
115.05463	4.9
117.07009	2.3
119.05006	0.8
121.06517	2.9
122.03638	5.6
125.05941	0.8
128.06236	1.7
129.07002	4.7
131.04916	3.4
135.04370	1.1
136.05200	3.2
137.05981	100.0
139.07558	1.7
139.92181	0.8
140.21698	0.7
143.04921	6.1
144.05670	1.9
145.06522	1.5
146.03647	1.0
146.07280	2.8
149.06006	3.2
151.07545	36.0
153.05424	1.1
157.06458	5.1
158.07285	5.5
159.04428	2.7
159.07948	0.9
160.05215	9.5
161.05994	1.8
163.07518	2.2
165.05530	2.0
165.09013	0.8
167.07086	1.6
172.05159	1.5
172.08864	2.9
173.05945	0.9
174.06778	21.4
175.07553	49.6
177.05475	1.7
177.09103	9.4
179.07053	1.8
186.06744	1.4
187.07539	17.4
188.08316	4.1
189.09116	54.1
191.06938	1.1
201.09113	24.9
201.10986	1.3
203.10663	5.5
205.08594	7.0
217.08516	1.4
219.08133	1.3
219.10150	8.3
225.09207	0.9
227.06837	0.9
231.08153	1.6
231.10210	5.4
235.09590	5.7
237.11227	1.7
239.06967	0.9
241.08641	2.5
245.09589	1.4
246.10435	1.4
247.07620	1.0
248.08212	0.9
249.11235	5.7
254.09464	2.8
255.06770	1.1
259.07578	1.2
261.09158	1.6
262.09952	1.8
263.10623	2.5
269.08075	3.3
270.08810	2.0
274.09848	2.3
277.12280	1.7
279.10220	2.1
284.10440	8.8
285.11221	5.2
290.09457	2.2
291.10233	4.2
293.11673	1.4
294.12411	1.8
295.10303	0.9
295.13376	2.6
297.11319	1.3
305.11761	11.6
306.12518	4.8
307.09616	1.5
310.11911	2.1
322.12070	3.1
323.12738	3.3
325.14410	4.7
337.14319	14.8
355.15393	15.7
373.16489	5.1
410.08862	0.7
433.05939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01867	0.3
55.05519	1.4
57.03431	1.7
60.77592	0.2
61.02930	3.9
62.15122	0.3
65.00675	0.2
65.03941	0.5
67.05180	0.4
67.05507	4.8
69.03424	2.4
69.07072	1.6
71.04987	0.5
73.02922	3.4
79.05490	4.0
81.03416	1.5
81.07056	5.0
82.07391	0.4
83.04990	0.8
83.08620	0.9
85.02913	3.5
87.04485	0.6
91.03963	2.5
91.05485	1.8
93.07047	5.4
94.07370	0.4
95.04983	0.7
95.08604	4.2
97.02890	3.7
97.06578	0.4
97.10162	0.4
99.04449	1.2
101.02398	1.6
105.07046	1.4
107.04968	0.4
107.08603	3.2
109.02921	0.4
109.10144	1.6
111.04568	0.2
111.08062	0.3
117.07030	0.9
119.08591	1.3
121.10114	1.8
123.11729	0.4
127.03919	1.1
131.08611	0.7
133.10139	0.9
135.11702	2.7
145.10130	2.4
147.11739	0.4
149.09613	0.2
149.13280	0.4
159.11702	0.6
161.13309	0.3
163.11195	3.3
181.12303	0.6
185.04259	0.6
190.38431	0.2
219.09947	0.7
227.12776	2.8
243.08379	2.5
249.10983	8.5
269.17358	0.3
270.17792	0.3
305.13565	2.3
322.07581	0.3
335.25977	1.0
336.26111	0.6
380.78705	0.3
390.40652	0.3
422.95081	0.3
445.51971	0.3
453.98978	0.3
467.18900	10.6
485.63647	0.2
519.29449	5.5
529.38855	0.4
530.39258	0.8
546.38715	0.3
547.39459	0.5
548.39624	1.3
565.34064	0.3
583.35913	0.4
745.41309	100.0
746.41608	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	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01861	0.8
55.05507	1.7
55.93981	0.4
57.03449	2.6
60.22646	0.4
61.02931	6.8
62.07182	0.3
67.05505	5.9
69.03431	4.2
69.07072	1.9
69.25797	0.4
71.01353	0.6
71.05010	0.6
73.02914	5.7
79.05499	4.4
81.03422	2.3
81.07059	6.1
83.01343	0.4
83.04980	0.7
83.08639	0.9
85.02911	6.5
91.03956	3.2
91.05482	2.7
93.07053	5.4
95.04986	0.8
95.08607	4.4
97.02901	7.0
97.06547	0.6
97.10152	0.4
98.20738	0.9
99.04462	1.0
101.02382	2.0
105.07061	1.4
107.08582	2.4
109.02883	0.9
109.10168	1.8
111.08116	0.6
117.06993	0.5
119.08582	1.8
121.10161	2.3
123.08115	0.5
123.11696	0.5
127.03931	1.7
131.08636	0.9
132.46431	0.4
133.10121	0.9
135.11719	1.8
145.10165	1.5
149.13237	0.5
151.70888	0.4
163.11224	1.3
185.04228	0.6
243.08516	2.0
249.11087	0.7
335.25885	1.1
467.18945	4.9
512.59796	0.4
519.21637	0.3
519.29205	8.0
538.88715	0.4
548.40216	0.5
603.31158	0.5
654.60791	0.5
705.07800	0.4
745.41309	100.0
746.41602	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	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01871	0.6
55.05264	0.3
55.05517	2.4
55.35943	0.2
57.03438	2.2
57.07085	0.4
58.03783	0.2
61.02934	5.6
65.03936	0.2
67.05512	6.8
68.05850	0.3
69.03435	3.1
69.07081	2.2
69.72509	1.0
70.47338	0.2
71.01364	0.6
71.05006	0.9
73.02925	3.8
79.05501	4.0
79.05923	0.4
80.05849	0.2
81.03428	4.5
81.07069	6.8
82.07406	0.5
83.01364	0.4
83.04991	1.2
83.08629	2.2
84.08985	0.2
84.78997	0.2
85.02916	6.4
85.06559	0.3
87.04459	0.5
91.03968	3.2
91.04528	0.2
91.05476	2.9
92.05807	0.3
93.07055	4.7
95.04974	1.6
95.08611	4.9
96.08952	0.5
97.02893	4.7
97.06573	0.7
97.10190	0.4
99.04476	1.2
101.02396	2.1
103.03952	0.4
105.07023	2.1
107.04998	0.6
107.08597	2.6
109.02910	0.7
109.06538	0.5
109.10156	1.9
111.04492	0.6
111.08109	0.4
115.03942	0.5
117.07050	0.8
119.08579	2.2
121.06483	0.3
121.10147	2.3
122.10561	0.2
123.08112	0.7
123.11717	0.6
127.03917	1.5
129.07022	0.3
131.08598	1.0
133.10158	1.4
135.11720	1.3
137.13187	0.2
145.05013	0.3
145.10136	1.5
147.11696	0.7
148.12140	0.2
149.09650	0.5
149.13326	0.3
157.10196	0.3
159.11800	0.2
161.13354	0.4
163.11168	2.0
163.14833	0.3
173.09709	0.3
175.11223	0.4
181.12198	0.3
185.04279	0.8
193.12282	1.0
194.12643	0.7
203.05264	0.3
209.11769	0.5
211.13335	1.6
212.13666	0.9
220.49925	0.2
227.12956	0.3
243.08484	2.1
249.10983	0.5
261.22351	0.2
267.16061	0.4
283.15347	0.5
285.17007	2.1
286.17340	1.3
305.13657	0.3
335.25870	0.5
337.27371	2.8
338.27695	2.9
467.18945	7.3
467.25433	0.4
468.19916	0.3
519.29291	4.3
530.39362	0.8
547.39911	1.4
548.40289	6.8
591.25507	0.3
728.69592	0.2
745.41339	100.0
746.41595	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	745.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01849	0.6
55.05508	1.6
56.05856	0.3
56.65764	0.3
57.03446	2.7
57.07082	0.4
61.02933	6.1
67.05167	0.3
67.05510	7.9
67.76754	0.3
68.05849	0.6
69.03429	3.0
69.07085	2.0
70.64296	0.8
71.01360	0.5
71.04991	1.0
73.02925	3.9
76.98904	0.3
79.05499	5.4
80.05825	0.6
81.03411	2.6
81.07063	8.0
82.07413	0.8
83.05002	0.8
83.08639	1.6
85.02919	4.8
91.03955	3.5
91.05470	2.7
92.05852	0.7
93.07047	6.7
94.07394	0.5
95.04998	1.0
95.08620	5.6
96.08977	0.5
97.02892	5.0
97.10155	0.6
99.04440	0.9
101.02393	1.5
105.07024	2.7
107.08598	3.4
109.02891	0.8
109.10152	2.4
111.08103	0.4
117.07033	1.2
119.08581	2.1
120.08982	0.5
121.10130	2.8
122.10499	0.6
122.55300	0.3
123.11744	0.5
127.03930	1.3
131.08591	1.5
133.10161	1.6
134.10533	0.4
135.11687	2.6
142.43900	0.3
145.10168	1.3
147.11691	1.2
149.13326	0.6
159.11736	0.9
163.11165	2.4
184.07304	0.4
185.04317	0.7
208.00023	0.3
211.13364	0.6
227.12817	1.6
243.08360	2.2
249.10979	11.6
249.13380	0.6
261.22305	0.6
269.17477	0.7
286.17340	0.6
305.13812	0.7
307.79111	0.4
335.25812	2.3
336.26080	2.1
337.26807	0.6
338.26794	0.5
347.22510	0.4
349.41498	0.4
421.59262	0.4
464.76797	0.4
467.18927	4.8
519.29327	7.6
529.38788	0.6
530.39270	2.7
546.39099	0.8
547.39069	1.0
548.39386	2.8
583.36603	0.6
745.41327	100.0
746.41565	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	746.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01876	4.4
55.05505	5.8
57.03435	3.3
65.03936	2.3
67.05509	9.9
68.27399	1.7
69.03433	17.5
69.07079	27.2
70.72701	5.7
71.04996	8.5
73.06556	2.9
79.05499	18.0
81.03423	12.0
81.07061	13.3
83.04992	61.4
85.02912	10.3
91.05476	16.9
93.07062	20.9
94.04207	2.6
95.04995	12.8
95.08607	4.3
97.02895	8.2
97.06542	48.1
99.04462	12.8
101.05983	3.8
103.05453	2.3
105.07037	51.8
107.04984	12.1
107.08624	18.6
109.02880	6.9
109.06537	15.9
111.04413	2.0
115.05425	3.6
117.07018	10.4
119.04925	4.4
119.08566	10.3
121.06511	33.8
121.10152	5.9
122.03642	2.1
123.04410	2.3
125.06004	100.0
127.03931	5.3
127.07549	4.1
128.06226	3.5
129.07027	5.2
130.07829	4.9
131.04868	2.1
131.08569	16.4
133.06517	11.2
133.10132	7.1
135.04430	6.8
135.08076	4.8
135.11707	5.2
137.05991	53.3
138.06299	9.2
139.07587	2.4
141.07085	3.4
143.04916	2.8
143.07051	86.2
143.08543	6.2
144.09363	3.6
145.06519	12.5
145.10138	85.7
147.08101	3.8
147.11713	6.0
149.06039	2.7
149.09633	2.2
151.07556	15.0
154.07820	2.0
155.08545	5.3
157.10136	3.3
158.07285	10.8
159.08101	10.9
159.11700	34.4
161.06015	4.1
161.09659	3.8
163.07555	4.3
163.11205	27.0
167.07048	4.4
168.07416	2.1
169.10115	12.0
171.08025	1.9
172.08908	5.7
173.09642	64.3
175.07491	3.3
175.11226	1.9
177.12749	13.6
179.07071	2.3
181.05017	5.9
181.12317	2.4
182.05408	2.5
187.11203	60.5
189.09157	2.0
189.12691	3.1
191.10707	31.6
197.09627	11.3
203.10832	2.1
205.12267	73.5
209.11696	14.4
215.10687	71.0
215.12750	3.5
223.13335	2.3
231.10396	3.1
233.11742	88.9
249.11360	2.6
251.12813	55.1
257.11957	1.9
269.13846	5.5
272.21112	2.1
317.13989	2.6
335.14844	2.6
341.13950	4.3
359.14615	3.6
377.16003	13.4
387.14368	13.5
388.14786	15.6
395.17081	12.8
413.18103	49.7
575.23328	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	746.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.8
53.18466	2.0
55.01851	2.7
55.05495	4.7
57.03442	3.9
60.86665	2.1
67.05482	3.1
69.03417	9.5
69.07048	4.1
69.75229	5.2
69.75633	7.6
75.04473	5.0
79.05506	14.9
81.03404	9.8
81.07071	10.4
83.04954	2.3
85.02898	5.2
87.88243	2.3
91.05482	16.9
92.05839	2.2
93.07047	77.8
95.04986	5.2
95.08575	7.8
97.02933	3.7
103.22869	1.9
105.07074	10.8
107.08605	11.0
109.02874	7.2
109.10138	3.0
110.03532	2.0
111.08056	6.6
119.08578	7.2
121.06493	8.4
121.10147	100.0
122.03645	5.4
123.08064	3.7
127.03907	5.9
128.06282	2.5
129.06995	4.1
131.08577	5.4
133.10101	2.9
136.07573	3.2
137.05981	57.4
138.06294	8.6
139.11185	4.3
145.04892	2.5
145.06465	3.1
146.07220	3.6
149.06033	4.1
149.09627	46.2
151.07541	34.2
152.07890	5.0
160.08511	2.5
163.03941	3.9
165.05504	2.9
167.10680	28.2
172.08836	3.4
174.06760	4.0
175.07538	10.1
176.08003	2.7
177.09081	13.7
178.09514	3.5
187.07492	4.5
188.08188	5.1
189.09135	13.6
190.09415	5.1
201.09096	5.5
203.10628	5.7
204.10968	4.7
205.08607	2.9
219.10176	4.3
237.11165	2.2
247.09601	13.2
248.10030	8.3
249.10490	2.5
257.07974	3.0
277.98199	2.1
293.13782	9.2
305.11765	8.0
306.12204	3.8
310.80823	2.5
311.14899	36.0
323.12704	6.9
329.16019	4.8
337.14426	3.8
338.14737	3.2
355.15335	18.0
356.15958	4.1
373.16516	19.9
374.17148	2.5
493.17929	2.5
493.25998	2.3
521.25043	2.9
711.27594	6.7
729.27948	3.3
746.37573	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	747.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26368	0.2
53.03948	0.7
55.01863	0.4
55.05511	1.6
57.03224	0.2
57.03439	2.0
60.13310	0.3
61.02931	5.6
65.03940	0.3
65.45495	0.2
67.05508	4.4
69.03435	3.5
69.07065	1.1
71.01363	0.3
71.04996	0.6
73.02921	4.5
79.05498	3.6
81.03434	3.3
81.07062	5.4
83.08608	0.8
85.02911	6.2
87.04467	0.3
91.03964	3.7
91.05486	3.1
93.07048	4.2
95.04993	1.3
95.08604	3.6
97.02904	4.8
97.06563	0.6
98.20760	0.8
99.04486	0.7
101.02402	2.0
103.03951	0.5
105.07050	1.3
107.05005	0.3
107.08584	2.2
109.02892	1.0
109.10159	1.1
111.04355	0.2
111.08094	0.6
117.07015	0.7
119.08592	1.3
121.10136	2.6
123.11702	0.5
127.03935	1.6
131.08603	0.9
133.10129	1.4
135.11737	0.7
137.09657	0.3
145.05011	0.3
145.10139	0.4
147.11710	0.9
149.13249	0.2
157.10141	0.5
161.13367	0.2
170.02104	0.3
184.07430	0.3
185.04282	0.5
193.12288	0.8
197.92642	0.3
201.02924	0.3
203.05304	0.4
211.13356	0.3
243.08443	2.2
251.12599	1.0
285.17120	0.4
305.46121	0.3
311.06531	0.3
325.65167	0.3
335.25919	1.0
469.20535	4.1
519.29346	7.0
550.38678	0.3
652.79663	0.3
711.65302	0.3
747.42914	100.0
748.43268	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	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05511	0.9
57.03429	2.1
61.02926	5.2
67.05505	3.9
67.25316	0.3
69.03426	2.9
69.07081	0.8
71.01344	0.4
73.02917	2.8
78.59676	0.3
79.05502	3.4
81.03411	3.6
81.07052	4.0
83.08629	0.9
83.17983	0.3
85.02902	5.4
87.04469	0.5
91.03947	2.7
91.05476	2.7
93.07048	2.8
95.04980	1.1
95.08615	3.0
95.18281	0.3
97.02891	4.3
97.10227	0.4
98.21643	0.6
99.04482	0.8
101.02411	1.6
105.07035	2.1
107.04981	0.4
107.08629	1.1
109.02888	0.8
109.10152	0.8
111.08089	0.4
115.03970	0.4
119.08564	1.6
121.10136	1.1
127.03941	1.4
129.07025	0.8
131.08562	0.6
133.06490	0.3
133.10158	1.0
135.11723	0.7
147.11707	0.8
157.10167	0.9
175.11145	0.5
185.04198	0.8
189.62907	0.3
193.12317	0.9
203.05203	0.5
211.13396	0.7
243.08351	1.9
251.12685	1.2
299.46472	0.3
307.15149	0.4
469.20499	8.2
519.29205	3.9
718.07782	0.4
747.42896	100.0
748.42950	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	749.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60439	0.3
56.96341	0.6
56.96569	11.5
56.96849	0.7
57.03436	0.3
61.02906	0.6
69.03439	1.8
69.54553	2.1
71.95258	0.8
73.02903	0.8
74.97630	0.3
79.05521	0.5
81.03422	0.9
82.59854	0.3
84.35270	0.3
84.96042	3.9
85.02910	4.7
87.04491	0.4
89.03928	0.4
91.04010	0.3
95.08626	0.5
97.02901	2.0
98.21484	0.7
98.97591	40.8
99.78252	0.3
103.05451	0.4
105.00173	1.0
105.07045	0.8
107.04930	0.6
109.02892	0.4
110.97576	3.3
112.99120	0.8
116.98632	13.7
117.03452	0.3
119.01805	0.3
121.06576	0.5
123.01227	0.9
123.08022	0.6
124.99105	0.4
125.00939	0.3
126.97033	0.4
127.00720	0.4
127.03945	1.2
128.98631	2.9
131.00201	0.4
132.99617	0.7
134.99687	2.5
135.04401	0.8
136.06146	0.5
137.05969	1.6
139.00699	0.4
140.00208	0.4
140.98665	0.8
141.02266	0.9
141.09116	0.7
143.00154	1.2
143.01834	0.4
144.98140	0.4
145.01765	0.5
145.02827	0.6
145.04968	1.0
146.99651	1.2
147.01143	0.7
147.04430	0.8
151.00681	1.5
152.98567	0.6
153.02214	0.5
155.51801	0.3
158.99670	16.1
160.99158	0.6
161.01248	0.8
161.02824	0.6
163.00694	0.7
163.03914	5.5
164.04205	0.7
165.02213	0.6
165.99355	0.4
167.03790	0.6
167.07072	1.1
169.01685	1.9
170.03386	0.3
170.99681	1.3
171.03229	0.3
177.00716	9.0
177.02260	7.2
177.05495	0.7
179.00143	2.6
179.03813	1.3
181.01750	1.1
182.99690	2.3
183.03264	0.9
184.00366	0.4
185.01228	0.6
185.03345	0.4
185.04865	2.3
187.02768	0.6
189.00700	0.9
191.03857	0.8
193.01715	1.4
193.05116	0.6
194.99614	0.9
195.01732	0.4
195.03304	7.1
197.01239	3.6
197.04890	4.0
198.05203	0.3
199.06407	2.0
201.00697	2.9
203.00224	0.8
203.04097	0.4
203.05910	1.6
204.00214	0.6
205.01727	2.9
209.01152	0.5
209.07983	0.4
211.02817	5.5
213.00681	1.1
213.04387	1.4
214.04883	0.4
215.02336	1.5
215.05884	2.4
217.00168	0.4
217.07497	2.0
219.01791	8.7
221.01183	3.5
221.04863	0.9
222.01289	1.0
222.99384	0.5
223.02805	8.3
223.05389	1.0
225.00751	0.3
227.02293	0.6
227.09067	0.4
229.03850	4.4
232.06065	0.5
233.06973	0.7
235.02873	1.1
237.02773	6.8
238.01550	0.7
239.02304	8.7
239.05952	10.0
241.03827	5.8
243.01765	0.8
249.00601	4.5
251.02136	0.4
253.03856	3.7
255.05508	0.4
257.03412	2.4
257.06973	4.8
259.04956	0.6
261.02878	0.7
265.00290	3.0
265.03693	2.4
267.01724	7.6
269.03256	0.5
269.06851	0.4
271.04926	1.9
273.02811	0.6
275.08008	1.2
277.00595	0.3
277.03702	1.9
277.08420	0.5
279.04108	0.5
281.07117	0.4
283.01297	6.8
283.04831	1.3
285.02835	68.5
286.03146	0.8
287.03287	0.5
295.04874	2.1
295.07773	0.4
299.07700	0.4
301.02591	0.5
303.03885	83.4
304.04327	1.0
304.08240	1.6
305.04156	0.6
308.04419	2.0
309.02774	18.0
313.05734	0.5
313.08990	0.9
321.04941	1.0
325.02292	0.5
325.05832	0.8
326.05536	1.0
327.03891	100.0
328.04254	1.7
343.03433	0.6
345.04947	15.9
346.05246	0.6
350.05463	3.5
351.11102	0.4
355.06680	0.4
358.10168	0.4
359.10190	7.6
361.04291	0.5
369.04959	23.4
377.11163	4.7
385.10880	0.4
387.05942	4.9
394.11441	3.6
394.61652	0.5
398.88141	0.3
410.07483	0.6
415.09122	4.7
419.12692	1.1
421.15039	0.5
429.07068	31.0
429.57190	1.5
430.07635	0.9
433.10214	1.2
447.08127	27.5
470.09509	1.8
475.11420	1.6
501.12921	3.5
543.17810	1.9
544.17889	0.6
569.15405	5.5
571.63690	0.6
587.16626	1.4
589.14331	0.6
749.21790	50.7
750.22345	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.3
55.01875	58.0
57.03430	5.7
61.02924	7.7
65.03944	2.3
67.05501	5.3
69.03435	41.6
71.04985	2.1
71.52252	2.5
73.02927	6.2
77.03923	2.0
79.05501	12.0
79.58551	1.9
81.03423	29.8
81.07058	5.9
83.04971	2.7
85.02909	39.2
87.04446	2.2
91.05477	26.8
93.07050	8.8
95.04964	12.7
97.02895	41.7
99.04464	5.6
101.02354	3.2
103.05495	12.4
105.04523	2.0
105.07043	7.7
107.04943	30.3
109.02883	73.2
109.06503	10.0
111.04449	5.2
113.02355	2.4
115.03984	1.9
115.05440	4.7
117.07032	10.6
119.04942	14.5
121.02882	8.5
121.06514	87.8
122.26668	1.8
123.04448	19.7
125.02364	2.3
127.03906	23.8
128.06224	5.6
129.07014	8.0
131.04950	12.2
131.08562	5.6
133.06494	13.6
135.04420	13.1
135.07973	2.0
137.02351	14.5
137.05984	41.9
137.89676	1.7
139.03928	6.7
141.07001	6.5
143.03299	2.3
143.08530	2.2
144.05708	6.4
145.05067	4.8
145.06494	27.5
147.04443	10.8
147.08078	9.3
149.02341	39.2
149.06006	15.3
151.03871	10.6
152.06203	2.9
153.05452	2.7
153.06934	4.1
155.05986	2.8
155.08574	3.4
155.13608	1.7
157.06493	60.1
158.07304	5.5
159.04425	4.8
159.08063	32.5
161.06018	11.2
161.09592	2.2
163.03937	11.9
163.07558	29.5
165.05496	7.3
165.07040	8.4
166.07759	2.7
167.07210	2.1
167.08554	4.5
169.06493	7.7
169.10133	2.7
171.04449	4.4
171.08072	9.6
173.05995	18.8
175.03961	6.8
175.07529	10.2
176.04720	2.8
177.05547	9.6
177.06934	2.5
177.09120	1.8
178.07695	4.9
179.08578	7.3
181.04967	13.9
181.06522	16.0
181.10086	2.5
182.07332	4.4
183.08083	8.7
185.06001	7.6
187.03868	2.3
187.07477	2.8
189.05467	13.3
189.06985	3.4
190.07776	4.8
191.06998	5.9
191.08615	4.8
193.04961	2.1
193.10309	4.0
194.07320	7.6
195.08014	10.6
196.08778	2.4
197.05994	9.8
197.09561	3.5
199.06010	4.6
199.07579	10.4
201.05472	10.6
201.09186	2.6
202.07774	5.6
203.07043	14.5
203.08571	3.8
204.26259	1.8
205.04944	7.5
205.10236	4.7
207.06491	2.0
207.08083	9.9
208.08821	6.3
209.09628	11.6
211.07527	5.5
211.11285	2.0
213.05542	4.3
213.09116	2.6
215.06961	4.7
215.08734	5.1
217.04979	3.5
217.07019	24.4
218.07320	7.5
219.08063	7.1
220.08823	4.1
221.06201	2.0
221.09583	8.2
222.06650	2.2
223.07600	6.2
223.11189	3.2
224.08247	2.3
225.09113	11.3
227.10825	2.5
229.05022	15.6
229.08545	4.7
231.06441	47.7
233.09789	12.8
235.05959	6.3
235.07846	3.3
235.11298	2.7
237.05406	2.6
237.09081	8.8
239.07092	2.8
239.10745	5.0
241.08711	2.7
247.07610	2.6
248.08514	2.5
249.09207	6.8
251.06880	3.9
251.10709	10.2
252.07785	7.3
253.08629	13.8
255.10216	9.3
259.11182	2.7
261.07513	8.0
261.09583	3.3
263.10449	3.0
265.08646	7.6
267.10172	26.7
268.07199	2.6
271.09650	3.5
275.10678	3.4
277.08722	12.6
279.10208	20.3
283.09567	4.8
285.11356	5.3
286.09851	2.8
289.08612	3.1
291.10391	4.2
293.11652	3.2
295.09677	100.0
297.11200	10.5
305.11740	3.6
307.09659	7.4
307.13110	2.5
313.10687	58.0
317.11685	2.4
319.13300	6.5
321.11307	5.2
323.12811	2.9
325.10718	32.5
331.09720	3.9
333.11182	2.0
337.10834	4.0
337.14532	3.0
339.12436	4.6
343.11743	17.3
349.10669	28.6
351.12308	13.6
355.12167	3.6
361.10687	2.8
367.11783	93.7
369.13297	8.3
373.14255	3.9
379.11749	22.6
391.15390	5.4
397.12833	41.7
415.13931	11.0
433.15048	8.9
493.14819	2.8
529.16992	31.5
551.19055	2.8
559.17950	7.5
595.20074	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	749.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01874	0.5
55.05514	2.1
57.03447	2.6
57.07067	1.9
61.02650	0.6
61.02935	6.1
65.03938	0.6
66.03841	0.4
67.05180	0.7
67.05513	7.9
69.03432	4.0
69.07088	1.9
71.04996	2.8
71.08633	1.2
73.02926	4.5
79.05494	3.5
81.03429	5.6
81.07063	6.3
83.04989	0.9
83.08620	1.4
83.11221	0.4
85.02902	5.6
85.10204	0.8
87.04496	0.8
91.03963	4.3
91.05492	3.9
93.07051	5.1
95.04986	1.6
95.08620	4.4
97.02901	5.6
97.06565	0.4
97.10210	0.7
98.21497	1.3
99.04464	1.1
101.02412	1.9
103.03992	0.7
105.07039	1.6
107.04910	0.4
107.08604	2.7
109.02881	1.1
109.10156	3.8
112.51872	0.4
117.07047	0.7
119.08583	2.1
121.10154	2.0
123.11748	0.6
127.03916	1.8
131.08598	0.9
133.10187	1.2
135.11755	1.5
137.09586	0.8
137.45615	0.4
143.42545	0.4
145.10155	1.0
147.11737	0.6
149.09593	0.5
163.11234	0.8
184.07445	0.7
185.04247	1.1
186.98642	0.4
191.42447	0.4
193.12292	1.7
195.00368	0.7
203.05309	0.5
229.14432	0.5
243.08447	2.7
253.14105	1.7
267.15933	4.4
309.16977	0.9
313.27426	3.1
319.07080	0.4
335.26224	0.6
365.82590	0.4
469.20361	0.7
471.22073	5.0
487.33798	0.5
493.17453	0.6
505.39130	2.5
519.29303	7.6
521.31525	0.5
539.28668	0.5
749.44489	100.0
750.44995	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	750.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
55.05509	1.2
57.03435	0.4
57.07065	0.3
61.02922	0.4
61.22997	0.2
62.06087	0.5
62.91146	0.2
67.05511	0.9
69.03439	0.9
69.07077	1.6
70.06590	0.4
71.04977	0.3
71.08293	0.3
71.08640	3.6
71.51971	0.2
72.08152	0.9
79.05487	0.7
81.03416	0.6
81.07062	2.0
82.43343	0.2
83.04985	0.3
83.08626	1.1
84.04510	0.3
84.08154	1.4
85.02912	2.2
85.06553	0.3
86.06075	2.9
87.04462	0.3
91.05475	0.2
93.07050	1.1
94.06593	0.2
95.08610	1.5
96.08125	1.9
97.02885	0.9
97.06520	0.4
97.10183	0.2
98.06070	0.6
98.09696	1.8
99.04481	0.3
99.08100	1.9
100.57296	0.2
101.71947	0.2
105.07040	0.3
107.08585	0.9
108.08109	1.0
109.02882	0.4
109.10152	0.6
110.09700	0.3
111.08067	0.3
112.07599	0.2
113.08401	0.3
116.10740	13.9
119.08611	0.2
121.10137	0.2
122.09689	1.3
124.07615	0.4
125.05937	0.2
125.09652	0.2
126.09180	0.3
127.03927	0.8
133.10155	0.2
135.11697	0.5
136.11221	0.4
137.05980	0.5
137.13264	0.2
138.09094	0.3
140.10699	0.5
143.10699	1.3
145.04935	0.6
149.13278	1.0
150.12828	0.2
151.07436	0.3
152.14305	0.3
153.12776	0.2
154.12218	0.2
154.15906	2.7
159.11708	0.5
163.03856	0.4
164.14423	0.4
165.68501	0.2
166.15926	2.2
167.14337	0.5
168.17480	0.7
178.15941	1.2
184.52545	0.2
188.06947	0.2
196.16982	5.9
196.67384	0.2
200.96898	0.2
214.18034	100.0
215.18375	1.4
231.15916	1.9
238.18039	0.6
256.19064	0.7
257.17514	1.1
272.97733	0.2
292.22736	0.2
310.23770	1.2
328.24844	3.2
329.40125	0.2
357.07367	0.2
357.19107	0.3
376.23309	2.9
408.31064	1.1
413.30515	0.2
426.32178	17.4
427.32571	0.3
431.31625	0.6
470.47348	0.2
488.57932	0.2
538.28693	1.3
588.37445	2.4
620.29028	0.2
750.26227	0.4
750.41687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73301	0.6
55.01875	0.7
55.05510	2.6
55.99551	0.7
57.03429	1.0
57.07058	0.7
61.02938	0.7
67.05503	2.9
69.03439	3.4
69.07077	5.6
70.06593	1.3
70.21466	0.6
71.04990	1.8
71.08645	3.7
71.51694	0.9
72.08146	2.6
79.05505	3.2
81.03407	2.1
81.07069	6.8
83.04988	1.2
83.08621	4.3
85.02898	6.2
86.06079	18.6
87.04450	0.7
91.05501	1.0
93.07047	3.7
95.04955	0.9
95.08605	3.7
96.08132	2.8
97.02901	2.6
97.06541	1.8
97.07156	0.6
97.10160	1.3
98.06094	0.7
98.09704	7.5
99.04453	0.8
99.08087	4.0
105.07046	1.1
107.08599	2.6
108.08096	2.2
108.20197	0.6
109.02880	1.8
109.10155	2.4
110.09680	1.2
111.08078	1.2
114.09187	0.8
116.10742	45.1
119.08650	1.2
121.10146	2.3
122.09695	1.6
123.08081	0.7
123.11687	1.5
124.07569	1.3
127.03959	3.0
129.07043	0.9
131.08546	0.8
133.10184	1.0
135.11745	0.8
137.05959	2.3
142.12271	2.0
143.10695	2.8
145.04948	1.0
145.10098	0.7
146.08168	1.2
149.13260	4.7
151.07547	0.9
159.11697	1.2
161.43835	0.6
163.03911	1.4
167.14293	1.1
209.11745	0.6
214.18039	9.1
231.15840	1.1
238.18030	0.9
239.16449	1.9
257.17416	3.7
261.13367	1.8
264.23181	1.1
267.15988	1.1
268.22739	1.4
274.21606	0.8
283.15210	0.8
292.22849	3.1
304.99121	0.7
310.23807	16.9
328.24844	100.0
329.25333	1.5
408.31046	2.2
426.32196	30.3
427.32571	0.7
431.31311	0.6
450.71811	0.7
472.29050	1.0
475.26941	2.2
490.30127	6.6
529.37128	0.7
588.37378	4.5
652.35767	2.9
680.12207	0.6
750.25800	1.5
750.40149	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01883	1.3
55.05280	1.1
55.05518	16.4
57.03438	12.6
57.07082	8.4
57.24730	1.0
58.66210	0.9
59.04988	1.0
59.68543	0.9
61.02906	1.0
67.05510	23.1
69.03420	3.2
69.07069	21.7
71.04991	1.1
71.08622	4.0
72.08150	1.2
79.05491	14.4
81.03423	59.4
81.07061	23.0
83.04988	3.9
83.08146	2.0
83.08617	23.2
85.02870	1.0
85.06544	1.8
85.10177	1.5
87.04448	4.3
91.05484	11.0
93.07043	12.8
95.04975	18.6
95.08611	15.6
97.02897	3.6
97.06529	3.5
97.10185	10.1
98.27267	1.0
105.07024	9.3
107.04964	2.4
107.08594	8.2
109.02859	1.2
109.06494	1.8
109.10161	5.5
111.08106	5.9
111.11675	1.6
117.07015	1.7
119.08603	9.3
121.06475	1.8
121.10153	10.9
123.04440	1.4
123.08079	1.7
123.11674	3.1
125.09641	2.9
129.07001	5.8
131.08563	6.8
133.06535	1.8
133.10097	3.0
135.11700	10.1
137.09579	1.9
137.13255	2.4
139.11224	1.4
142.72466	1.1
145.10182	1.7
147.08047	2.9
147.11699	5.8
149.09628	3.3
149.13274	2.5
151.14777	1.5
157.10146	5.8
159.19011	1.0
163.11256	1.2
163.14838	1.6
165.12729	1.8
175.11198	7.6
177.16531	1.0
184.07281	1.3
193.12251	22.4
194.12862	1.1
194.96405	1.2
211.13283	2.9
227.81230	1.3
229.14397	1.3
237.22141	1.7
249.15073	1.4
267.15930	100.0
268.16339	2.3
311.25818	71.8
312.26263	1.5
313.27325	3.0
314.27585	2.3
319.15176	1.3
371.53775	1.2
429.33615	3.0
503.37363	66.5
504.37692	2.3
506.38629	1.4
521.38403	10.8
545.37958	2.8
647.40173	1.3
750.44073	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	751.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	11.0
56.96832	0.4
60.25088	0.4
60.85944	0.4
69.03391	0.4
69.86368	1.9
71.95237	0.8
72.70773	0.4
79.05450	0.5
84.96050	3.8
85.02869	1.1
85.94632	0.5
97.02877	0.8
98.21415	0.6
98.97594	33.6
101.39560	0.4
105.00167	0.6
107.08564	1.0
110.97568	4.0
112.99114	0.8
116.98635	8.4
124.99126	0.7
127.00627	0.4
128.98616	3.6
132.99608	0.7
134.99617	1.0
137.05937	0.8
139.00667	0.7
140.98596	1.0
141.02260	0.5
143.00136	1.3
143.10631	0.5
144.98039	1.2
146.99686	0.9
147.01149	1.0
151.00720	1.9
152.98529	0.5
153.02206	0.9
153.51630	0.4
155.00084	0.5
158.99673	13.4
159.03288	0.5
160.99106	1.2
161.01268	0.8
161.02727	0.8
163.00717	0.5
165.02246	0.7
167.00168	0.5
169.01723	1.1
169.05388	3.2
170.99706	2.0
171.03304	2.3
175.00684	0.7
177.00685	6.2
177.02223	7.3
179.00171	3.1
179.03796	1.6
181.01700	0.6
181.05310	0.6
185.04855	1.0
187.02832	0.5
187.06425	5.8
189.00723	0.8
189.04294	1.2
191.03845	0.9
193.01746	1.0
193.05313	0.6
195.01674	0.6
195.03325	6.8
197.01250	3.4
197.04803	1.3
199.02692	0.6
199.06404	3.8
201.00713	1.5
203.00150	0.8
205.01796	2.7
205.07410	1.8
211.06435	1.2
213.04382	2.7
215.02290	1.0
215.05841	0.6
217.07512	3.5
218.99794	0.8
219.01791	10.4
221.01247	4.5
223.02776	9.1
223.06361	0.8
227.05888	0.9
231.05367	1.7
235.08507	1.6
237.02817	7.1
239.02313	6.8
239.05942	0.6
241.03889	4.9
241.07486	4.8
249.00618	4.8
257.03238	1.9
259.04611	0.6
259.06042	0.6
259.08551	5.2
265.00186	3.6
265.03931	1.3
267.01773	10.3
271.08572	0.7
277.09653	1.6
283.01328	5.4
283.04602	1.0
285.02835	76.3
286.03198	1.4
301.09662	1.3
303.03882	76.2
304.04068	1.1
305.04224	0.9
308.04477	1.3
309.02817	15.0
319.10660	0.5
321.04919	1.3
326.05569	1.0
327.03891	100.0
328.04214	1.5
329.04327	0.5
343.10730	0.8
345.04935	15.6
350.05576	1.6
361.11688	11.8
369.04959	14.8
379.12796	13.4
387.06042	2.9
421.14093	0.9
422.08044	0.5
429.07028	12.5
430.12411	0.6
447.08133	14.0
448.08899	0.4
470.10248	0.5
501.16595	1.1
503.14368	0.7
545.19299	3.3
571.17023	5.8
751.23322	77.9
752.23639	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	751.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	0.4
59.05601	0.3
67.05445	1.0
73.02859	0.3
79.05399	0.5
81.03369	0.9
81.06982	0.6
83.08563	0.5
87.04386	1.3
87.04854	0.4
91.05417	0.6
93.07000	0.5
95.08541	0.4
106.47625	0.4
107.46207	0.3
109.10098	0.5
125.60948	0.4
125.82198	0.3
131.05853	0.3
133.00839	0.4
188.07672	0.3
196.18199	0.4
232.90027	0.3
235.39330	0.3
267.15851	0.9
294.16562	0.4
313.27359	0.6
373.04846	0.4
389.18674	0.4
390.19586	0.6
399.16281	0.7
400.17160	1.1
401.17535	0.6
404.21027	0.6
412.18018	1.1
413.17764	1.8
414.18533	2.6
415.19373	4.0
416.20352	0.7
427.19321	2.2
428.20123	2.8
429.20847	13.4
430.21533	2.1
441.21396	0.6
442.21909	2.0
443.22476	9.2
444.23407	4.4
445.24307	0.8
455.18845	1.0
456.19559	1.0
457.19150	1.1
457.23825	4.0
458.25012	4.4
459.21558	5.4
460.22632	0.8
461.22528	0.4
470.20752	1.1
471.22583	2.0
472.22708	5.5
473.24149	2.1
476.22159	0.6
483.18054	0.8
485.23489	9.9
486.23947	2.7
487.20602	0.7
488.21933	0.6
490.23895	0.6
499.21170	1.6
500.22052	1.0
502.23569	0.8
503.24484	1.0
513.22961	2.7
514.23694	1.2
517.26025	6.4
527.24658	0.5
529.26068	1.7
545.25519	67.1
546.26306	2.3
573.24963	14.6
573.33691	0.8
600.69562	0.4
605.27625	100.0
606.28003	4.0
642.50336	0.4
751.44849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01880	10.4
55.05516	8.4
57.03437	2.8
65.03938	1.9
67.05509	21.5
69.03436	0.9
69.07071	14.8
71.05000	0.9
71.25479	1.4
71.57674	0.8
79.05074	1.5
79.05502	21.7
81.03422	4.7
81.07060	25.9
83.04987	5.6
83.08631	3.2
85.06527	0.9
91.05484	27.6
93.07050	26.2
93.07640	1.2
95.01319	4.2
95.04953	7.2
95.08613	16.2
97.00095	0.9
97.02905	1.1
97.06539	16.9
97.10146	2.4
105.04535	0.8
105.07035	35.4
107.04961	5.7
107.08615	8.7
109.06529	2.3
109.10156	5.3
111.08075	1.2
115.05445	1.1
116.56663	0.9
117.07011	7.4
119.08588	18.5
121.06506	1.8
121.10156	5.3
123.04462	1.0
123.08067	2.5
125.09647	1.2
129.07039	4.1
131.08586	7.5
133.10149	18.2
135.08058	1.3
135.11740	3.4
143.08586	3.2
143.40161	0.9
145.06519	0.8
145.10124	9.1
147.11684	15.3
149.09644	3.4
149.13263	1.8
159.11685	4.6
161.13261	4.1
163.11180	2.7
165.09105	1.3
171.11693	6.5
173.13280	1.5
177.12752	1.1
179.14322	4.4
183.11702	0.9
189.12714	1.9
207.13863	4.2
247.20677	0.8
257.18970	1.8
259.20834	1.1
275.20093	34.5
279.15997	2.6
281.17496	25.8
283.09137	0.8
293.21024	2.0
301.16199	1.3
349.23758	15.7
360.43854	0.9
427.16537	0.9
537.35852	2.4
555.36865	100.0
556.37024	2.8
573.37695	1.0
716.90442	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01867	0.8
55.05516	6.1
57.03200	1.0
57.03442	13.1
57.07082	26.6
60.51393	1.0
66.00671	0.9
67.05504	14.5
69.07070	6.3
71.04977	1.5
71.08633	21.1
74.09714	0.9
78.23903	1.0
79.05516	8.6
81.03424	55.8
81.07060	17.9
83.04963	3.3
83.08175	0.9
83.08626	16.1
85.06516	0.8
85.10193	9.7
91.05496	9.6
93.07058	7.6
95.04974	16.8
95.08075	1.4
95.08620	18.0
97.02885	1.9
97.06519	1.5
97.10166	4.9
103.07624	1.0
105.06517	0.9
105.07050	9.1
107.04945	3.9
107.08604	4.9
108.46313	0.8
109.06505	1.8
109.10162	8.3
111.08086	5.4
117.07019	1.4
119.08591	9.7
121.06494	1.7
121.10149	4.7
123.04335	1.1
123.08046	1.6
123.11704	3.5
129.07021	6.4
131.08543	6.4
133.06509	1.8
133.10124	3.8
135.11688	2.0
137.09689	1.1
137.13263	1.2
142.07790	1.8
144.18176	0.8
145.10167	0.9
147.08035	2.7
147.11707	5.9
149.09595	4.0
157.10123	7.1
159.11763	1.3
161.13264	1.3
163.11166	1.0
165.12776	0.9
175.11215	6.9
179.14395	1.2
193.12256	26.0
211.13213	1.5
221.15331	2.0
239.23782	1.9
249.14868	1.5
251.59938	0.9
257.24902	1.5
267.15933	92.5
295.19025	1.8
301.14136	1.3
309.16736	1.3
313.27386	100.0
314.27820	2.4
319.93872	0.8
335.25922	1.7
478.63824	0.9
505.38916	78.9
506.39331	1.9
523.39661	1.4
547.39856	2.1
555.40527	6.6
752.47296	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01883	8.1
55.05513	11.4
57.03448	5.2
59.05006	0.9
61.02898	1.1
65.03925	1.6
67.05508	16.1
68.55875	0.9
69.03429	1.2
69.07072	12.0
69.17490	3.8
69.17915	5.2
71.01376	1.0
71.04977	2.2
71.61537	1.1
79.05072	1.3
79.05498	18.5
79.53268	0.8
81.03413	5.9
81.06595	1.4
81.07062	26.0
83.01344	4.3
83.04976	6.7
83.08621	6.6
85.02883	2.9
85.06509	0.9
91.05486	23.0
93.07048	18.5
95.01325	3.2
95.04989	5.3
95.08609	13.4
97.02876	1.7
97.06536	11.1
97.10153	1.8
98.21473	1.7
99.04481	1.3
103.05462	1.7
105.07037	32.7
107.04974	9.2
107.08585	10.3
109.06505	3.5
109.10134	3.8
111.04417	1.1
111.08099	2.1
117.07014	9.7
119.08586	18.7
121.06505	3.1
121.10152	6.2
121.75567	0.9
123.08121	4.6
123.11747	0.9
123.58337	0.9
125.05950	0.9
129.07016	1.9
131.08580	11.6
131.27013	1.0
133.10139	17.8
135.08083	1.6
135.11694	8.7
137.09578	2.1
139.07480	1.0
143.08556	2.5
145.10120	12.9
147.07993	1.4
147.11711	5.2
149.09599	1.9
151.11119	1.1
153.12756	1.0
155.08530	1.7
157.10095	1.7
159.11700	4.9
161.13254	1.7
163.11189	11.8
165.09114	1.3
171.11601	1.2
173.09631	1.0
173.13200	1.5
177.12822	1.7
179.14285	5.2
181.12317	1.2
187.11147	1.6
201.52663	1.0
205.12280	1.0
209.11813	2.0
227.12781	1.9
257.19031	2.4
275.20074	29.4
283.15405	52.7
349.23700	15.8
460.18420	1.0
539.33502	3.1
557.34766	100.0
558.35077	4.3
630.60596	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
53.05539	1.7
55.01872	2.6
55.05521	9.9
57.03442	2.9
57.07079	2.7
67.05509	16.2
69.03426	17.5
69.07057	12.1
71.04986	5.1
71.08627	1.6
71.52076	1.8
79.05505	14.0
81.03426	15.2
81.07066	37.5
83.04988	11.3
83.08624	8.7
85.02917	16.8
85.03393	2.3
85.06483	2.2
87.00830	7.3
87.04417	2.1
91.05477	15.1
93.07050	39.5
95.04984	5.6
95.08615	67.7
97.02901	44.5
97.06531	3.6
97.10179	6.8
99.04464	6.9
105.01855	4.0
105.07041	40.8
105.07703	3.5
107.04951	2.7
107.08603	58.9
109.02890	7.3
109.06522	7.1
109.10162	34.4
109.10843	3.1
111.04471	2.3
111.08105	6.8
117.07030	6.5
119.08589	51.9
121.06512	3.2
121.10152	40.0
123.08061	3.4
123.11725	15.8
125.09637	22.6
127.03910	16.9
129.07001	3.8
131.08592	26.8
133.10146	42.3
135.08037	3.3
135.11693	20.3
137.09633	3.0
137.78926	1.7
139.07625	2.8
141.27153	1.7
143.08582	10.3
145.04979	17.3
145.10132	49.9
147.08041	2.6
147.11693	34.1
149.09598	7.4
149.13287	14.3
151.11253	2.3
153.09076	3.9
157.10110	11.5
158.10840	2.2
159.11708	39.0
161.09706	4.0
161.13260	20.8
163.03903	7.2
163.11177	5.4
163.14824	18.9
165.16464	2.4
167.10681	2.8
169.10175	1.9
170.10976	2.6
171.11700	8.7
173.13278	47.5
175.11253	2.9
175.14833	34.3
177.05573	2.0
177.09018	2.2
177.12753	3.5
177.16406	32.0
183.11693	4.1
184.12563	2.4
185.13269	10.4
187.14836	60.6
189.12775	2.9
189.16397	30.9
191.14328	34.6
191.17979	15.1
193.12207	3.0
193.15948	1.9
197.13321	2.9
198.18561	2.2
199.14816	12.9
199.18860	2.5
201.12686	1.8
201.16394	33.2
203.14346	23.1
203.15996	3.6
203.16559	1.1
203.17967	51.0
205.15895	97.6
205.19461	9.5
207.17435	5.4
209.13460	1.6
209.15405	6.6
211.14868	2.9
213.16379	16.1
215.14500	3.3
215.17998	16.5
217.15921	7.2
217.19559	5.1
219.13936	2.2
219.17468	12.2
221.15439	7.6
223.14891	3.2
223.16966	7.8
227.18044	4.0
229.15909	5.9
231.05026	2.7
231.17531	4.5
231.21245	2.2
233.19012	5.7
235.16876	8.4
239.16330	2.9
241.19516	2.0
243.17499	2.8
243.21184	2.0
247.16956	15.0
249.18564	14.2
253.19620	1.9
255.20958	2.6
261.18509	6.9
267.15887	3.6
267.21121	3.7
279.21198	1.9
281.22623	2.5
283.15402	1.9
284.12912	1.7
309.28323	2.1
311.23682	4.2
341.24731	2.9
349.29083	1.8
377.31927	5.3
379.33459	4.6
389.32187	14.4
395.28735	8.1
395.33411	5.1
407.33160	65.0
416.25143	2.0
423.32455	15.4
425.34158	15.8
429.34009	2.0
435.32596	35.9
441.33722	5.1
443.35287	22.6
453.33694	100.0
454.33813	3.2
471.34570	7.8
475.26788	6.0
493.27850	2.5
507.29727	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	754.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.2
55.01881	3.2
55.05519	23.5
57.03443	8.8
57.07073	1.8
62.90140	1.5
65.03942	4.3
67.05510	64.1
69.03443	1.3
69.07074	17.6
70.35706	1.2
71.05005	3.4
77.03934	2.3
79.05502	91.6
81.03431	9.4
81.07066	60.6
83.04994	14.3
83.08611	10.7
85.02929	2.4
85.06555	4.8
86.53511	1.4
91.05492	89.7
93.07052	100.0
94.20879	1.4
95.04971	17.4
95.08614	43.7
96.36581	1.4
97.02882	2.4
97.06548	5.1
97.10188	4.8
98.21500	3.8
99.07480	1.3
99.08089	2.0
103.05450	2.4
105.04538	4.2
105.07042	86.8
106.06046	1.3
107.04943	10.6
107.08607	38.6
109.06533	7.6
109.10173	12.9
111.08093	3.2
115.05450	1.9
117.07018	20.2
119.06009	1.3
119.08596	63.5
121.06505	2.8
121.10157	19.7
123.08092	5.4
123.11652	1.8
128.06235	3.6
129.07016	22.9
130.07809	2.1
131.08577	26.4
133.09140	2.1
133.10144	38.0
133.11107	2.5
135.11705	17.4
137.09613	2.0
141.07007	2.0
143.08583	19.1
145.06470	1.9
145.10132	29.1
147.08034	2.5
147.11703	62.2
149.09628	3.0
149.13301	6.5
151.11205	1.8
155.08629	1.6
156.09406	1.7
157.10117	8.8
159.11716	16.5
161.09616	4.2
161.11986	2.8
161.13278	34.1
163.11168	2.7
163.14861	3.5
163.77168	1.5
167.08571	1.6
169.10158	3.7
171.11702	34.7
173.13292	10.9
175.14835	12.9
177.12668	1.9
179.14381	1.7
183.11691	1.6
185.13237	9.1
187.11195	2.4
187.14867	2.9
187.88560	1.4
189.12766	8.0
191.97316	1.5
195.11726	1.4
197.13222	2.3
199.14851	4.2
205.12224	1.6
207.13818	20.6
209.13330	2.3
213.16475	3.4
214.44159	1.4
215.17929	1.9
231.21146	5.7
241.19524	34.0
241.22058	1.8
243.21101	3.0
257.19019	3.4
259.20596	65.7
260.21106	2.1
261.22116	2.4
279.15958	22.2
281.17502	76.9
283.19336	2.4
297.22568	1.9
313.21759	1.8
315.23257	6.1
333.24240	53.4
447.32455	6.7
465.33582	8.4
483.34686	4.8
521.36163	5.7
539.37396	83.0
540.37708	3.2
557.38422	30.2
558.38666	2.4
647.38519	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	755.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	1.0
57.03401	0.7
58.99826	0.6
60.91282	0.5
69.03397	1.2
70.99856	0.5
73.02840	0.5
77.00900	0.8
81.03387	0.9
82.99844	1.8
85.02863	1.9
89.46841	0.6
91.05446	0.6
97.01379	0.6
97.02868	1.2
98.97596	4.3
101.00886	13.4
105.06988	1.0
109.02811	0.7
110.97506	0.5
113.00870	2.6
115.02421	1.3
116.98570	0.9
119.01927	14.8
119.04867	1.2
127.02416	3.7
127.03846	0.6
129.00296	1.0
131.01904	4.3
133.03435	1.4
135.01384	0.6
137.05879	0.6
139.02347	1.3
142.03503	0.5
143.01900	28.2
145.03462	8.9
145.04607	0.9
145.04993	0.6
146.68576	0.5
147.01317	0.9
147.04364	2.0
153.03960	1.5
155.01904	16.3
155.05464	0.6
157.02437	0.6
157.03484	6.1
158.99603	1.8
161.02968	17.7
161.04333	1.2
163.06029	4.2
165.05467	0.9
167.01901	9.6
169.03453	2.6
169.69144	0.5
171.05067	3.6
173.01460	0.7
173.02974	12.6
175.04439	1.0
179.01918	4.2
179.05513	1.4
181.03435	3.2
181.07031	2.9
182.99614	1.2
185.02971	23.2
185.04449	0.9
187.04565	2.9
189.03992	3.1
191.01979	0.6
193.03464	0.7
193.04976	8.1
195.05005	2.1
197.01208	1.0
197.02950	9.5
197.06581	1.5
199.04489	3.0
199.08130	1.5
201.00706	1.0
203.02220	2.3
203.03978	13.3
203.05727	1.4
205.03563	2.6
207.05032	8.9
207.06949	0.8
209.03038	1.1
209.06604	1.1
213.06219	0.7
215.02115	0.8
215.03986	5.2
219.01788	1.5
219.05070	1.0
221.03221	6.3
221.05072	13.6
223.04498	4.3
223.08160	1.7
225.06096	4.8
227.04039	4.4
229.03453	0.8
231.05084	3.2
233.02933	3.0
235.04500	1.6
237.02802	0.9
237.05984	0.9
239.04129	1.4
239.06136	4.0
241.05542	2.0
243.07162	1.9
245.05078	54.5
246.05354	1.7
247.04556	3.9
249.06303	2.5
251.04013	6.9
253.05669	1.1
257.02933	1.3
257.05127	2.7
259.04483	1.2
263.06122	11.0
265.05539	2.4
267.04474	0.5
267.07147	3.2
269.05118	1.8
275.03906	7.3
275.06155	13.6
277.05478	1.0
279.07104	0.6
283.06961	0.8
285.02853	1.7
285.08490	0.7
287.06247	1.0
289.02109	0.7
291.07239	1.3
293.04996	29.2
294.05148	0.8
295.06528	0.8
299.06006	0.7
303.03827	1.7
303.07016	1.2
305.07178	7.7
307.06479	1.1
309.08148	1.2
311.06122	100.0
312.06345	3.6
321.08221	0.8
325.07663	10.1
327.03918	2.4
329.07236	12.8
334.07736	2.0
335.08322	1.9
343.08871	3.1
351.09232	4.9
353.07187	32.8
354.07343	1.0
365.08408	5.0
369.10178	4.3
371.08255	3.1
383.09570	0.7
387.11353	1.2
395.08145	3.8
413.09296	35.8
414.09320	1.3
425.11136	0.6
429.06866	1.0
431.10382	40.7
432.10364	1.5
454.12192	1.3
473.11395	30.1
474.11893	0.9
485.11673	1.8
496.26642	0.6
503.12494	12.2
533.13586	7.6
549.16626	2.7
557.13611	1.2
575.14606	7.4
593.15759	8.3
604.93549	0.6
635.17261	2.7
665.18073	1.1
755.20715	25.6
756.21338	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.6
53.03949	2.4
55.01883	3.6
55.05514	16.0
55.41827	0.5
57.03157	0.7
57.03441	11.7
57.07080	1.6
59.04995	2.4
61.02926	3.6
65.03934	2.1
67.05508	41.7
67.61134	0.5
69.03429	2.1
69.07072	8.4
70.55180	1.9
71.01344	1.6
71.04987	2.5
71.08633	0.6
73.02921	1.1
73.36385	0.6
79.05022	0.8
79.05495	29.4
81.03425	4.7
81.07059	44.3
83.01397	0.5
83.04972	3.6
83.08630	13.4
85.02903	4.5
85.06547	1.9
86.09711	1.7
91.03957	1.6
91.04903	1.1
91.05483	25.9
93.07047	37.7
95.04974	5.2
95.08609	29.5
97.02895	4.8
97.06512	3.7
97.10175	1.9
98.20893	0.6
99.00817	15.2
99.04462	1.0
99.08070	1.6
99.97890	0.6
103.05470	1.7
105.04543	1.0
105.07034	22.9
107.04964	5.5
107.07875	1.2
107.08600	20.1
109.02884	9.0
109.06516	3.3
109.10158	15.7
111.04437	1.2
111.08076	4.3
113.05986	0.8
115.03933	2.6
115.05424	1.0
117.07027	6.0
119.04949	0.8
119.08584	13.1
121.02819	0.6
121.06522	6.1
121.10153	11.3
123.04431	1.9
123.08056	1.8
123.11710	6.3
125.00047	1.1
125.09615	1.0
127.03920	2.4
128.06213	1.1
129.06993	0.9
131.08575	6.5
133.06505	1.6
133.10136	37.9
135.08029	1.8
135.11702	9.4
137.05992	1.4
137.09608	2.2
137.13240	0.8
139.07541	2.1
143.08578	4.5
145.06441	1.0
145.10115	5.0
146.07292	0.8
147.08041	1.0
147.11699	4.1
149.09618	0.7
149.13298	4.1
151.11186	10.1
157.10143	1.0
159.11729	3.3
161.09621	16.4
161.13235	3.2
163.11150	1.3
163.14839	2.0
165.09148	1.1
171.08087	3.8
173.13254	3.6
175.14859	1.2
177.16383	1.4
179.10672	10.2
184.07323	5.8
187.14857	2.6
189.09123	8.7
191.14464	0.7
197.11766	3.2
198.11494	0.6
201.16325	0.8
207.10265	3.0
209.15469	0.8
211.13290	1.0
225.11212	12.6
227.12743	1.1
234.00844	0.5
241.19434	0.7
243.12274	3.3
243.21129	4.5
261.22159	17.2
277.21597	1.4
281.13812	2.7
285.16931	1.2
299.14896	100.0
300.15277	1.8
315.23294	2.1
317.24716	3.5
335.25803	74.9
336.26120	2.0
421.30963	0.9
439.32031	0.8
449.30374	1.4
457.32706	1.0
467.31540	4.4
485.32654	3.1
513.35736	2.3
515.36975	1.3
531.36755	2.6
541.35303	7.2
545.38116	2.6
559.36316	34.6
560.36401	1.8
577.37195	2.2
766.40375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	2.8
53.03947	2.5
55.01867	3.5
55.05274	1.2
55.05515	17.6
57.03444	10.8
57.07061	1.3
57.53917	0.9
59.04995	2.0
59.47716	0.9
60.08154	1.2
61.02919	3.2
61.90711	0.8
65.03939	2.0
67.05510	40.0
69.03420	2.5
69.07082	9.1
70.59531	1.8
71.01371	1.4
71.04988	2.9
71.08627	0.8
73.02909	1.0
78.35817	1.0
79.05499	24.8
81.03410	3.5
81.07061	44.7
83.04971	3.4
83.08218	1.1
83.08627	11.9
84.16931	1.0
85.02896	3.7
85.06529	1.8
86.09690	3.4
91.03931	1.3
91.05487	26.8
93.07052	35.2
95.04977	4.5
95.08616	27.0
97.02914	5.5
97.06517	4.2
97.10158	2.8
99.00823	12.1
99.08079	1.0
105.07040	17.3
107.04997	4.6
107.08601	19.6
109.02887	9.7
109.06514	3.4
109.10162	15.7
111.08079	4.3
111.87169	0.9
113.05984	1.0
115.03903	2.9
117.07021	5.6
119.08586	13.5
121.06513	5.0
121.10154	13.7
123.04414	1.3
123.08067	1.6
123.11709	6.4
124.99962	1.8
125.09731	1.0
127.03938	2.1
129.06981	1.9
131.08585	8.4
133.06509	0.9
133.10138	31.8
135.08032	1.0
135.11703	10.2
137.09558	2.2
139.07571	2.0
143.08574	5.4
145.10129	6.1
147.08080	1.2
147.11674	5.2
149.13292	5.4
151.11168	10.1
157.10161	1.2
159.11723	3.6
160.88107	0.9
161.09631	17.4
161.13278	3.8
163.11250	1.3
163.14796	2.6
171.08040	3.6
173.13284	4.3
175.14815	1.2
179.10667	6.8
184.07370	11.8
187.14801	2.1
189.09152	7.3
197.11685	2.2
207.10136	1.6
225.11238	13.7
227.12900	1.2
233.22676	1.1
243.12309	3.1
243.21190	4.5
253.61671	0.9
261.22177	19.2
277.21646	1.8
281.13840	3.9
299.14911	83.8
315.23148	2.4
317.24680	4.1
335.25821	100.0
421.30576	1.0
449.30112	1.8
467.31482	5.1
485.32657	3.6
513.35486	3.3
531.36554	2.0
541.35352	9.0
559.36340	51.2
560.36542	1.8
577.37457	2.1
783.31018	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.7
55.01873	10.4
55.05271	2.9
55.05515	28.9
57.03443	16.5
57.07072	3.0
59.04993	2.8
61.02915	2.7
65.03928	3.0
67.05510	49.8
69.03437	3.8
69.07076	15.9
69.97912	4.0
69.98306	3.4
71.01354	3.0
71.04981	6.1
73.02918	1.5
74.21288	1.6
79.05498	63.8
81.03424	14.5
81.06591	3.3
81.07061	52.2
83.01336	8.8
83.04990	14.5
83.08633	14.9
85.02932	9.4
85.06512	1.5
91.03954	2.3
91.05487	74.1
93.07052	73.5
95.04983	14.6
95.08608	31.7
97.02885	5.2
97.06524	8.4
97.10162	8.5
97.98055	1.6
98.21615	1.6
99.04462	3.0
99.08079	2.7
99.20119	1.4
103.05495	2.1
105.04521	2.4
105.07039	76.3
107.04970	9.6
107.08599	41.8
109.06528	9.5
109.10172	14.5
111.08066	3.4
115.05458	2.5
117.07027	27.3
117.58901	1.4
119.08587	61.1
121.06516	5.3
121.10130	25.3
123.08076	12.8
123.11729	2.7
124.45163	1.4
125.09623	6.2
128.06209	3.1
129.06993	12.6
130.07782	2.7
131.08578	27.2
133.10139	52.2
135.08057	5.0
135.11696	27.9
137.09627	2.8
141.07002	2.4
142.07809	3.8
143.08574	14.4
145.10133	34.4
147.08022	2.5
147.11699	37.7
149.09607	3.8
149.13264	9.5
151.11168	2.0
153.12750	4.4
155.08588	5.2
157.10130	17.3
159.11691	20.4
161.13254	25.5
163.11191	28.1
163.14854	2.3
169.10114	5.0
171.11700	11.8
173.09653	2.6
173.13275	11.3
175.11206	1.9
175.14801	6.6
175.43950	1.7
181.12262	3.7
183.11627	2.9
184.07321	3.6
185.13289	11.9
187.14824	2.2
189.11226	5.1
189.12755	2.8
191.10541	3.3
193.12143	3.0
195.11696	1.7
197.13341	2.4
199.14865	8.5
209.09967	1.7
209.11676	7.9
211.13255	2.6
217.19273	1.7
227.12752	14.0
231.21065	6.9
241.19547	26.4
257.19028	4.1
259.20593	82.0
267.15860	1.9
275.20032	3.5
277.21524	1.9
283.15396	72.1
285.16846	2.5
297.22110	10.1
315.23187	8.3
331.22702	1.9
333.24274	57.1
349.23730	2.2
411.43143	1.5
421.30899	2.8
431.29404	6.6
449.30511	9.7
449.36130	1.6
450.31696	1.7
467.31583	6.6
485.32434	2.7
513.35602	3.7
523.34143	12.7
541.35303	100.0
559.36304	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	756.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42324	0.1
55.05507	0.2
56.05037	0.6
58.06641	0.5
59.07386	0.2
60.08167	5.6
67.05517	0.4
69.07081	0.2
69.33360	1.1
71.07379	3.0
79.05502	0.2
81.07066	0.4
83.08649	0.1
86.09711	28.4
87.10043	0.2
91.05486	0.2
93.07055	0.2
94.38271	0.1
95.08593	0.2
98.21490	0.2
98.98472	3.1
98.99059	0.3
104.10759	2.3
107.08605	0.2
109.10229	0.2
125.00013	19.9
130.49983	0.1
166.02669	0.2
184.07352	100.0
185.07697	0.5
205.88068	0.1
245.46132	0.1
291.78000	0.2
336.84735	0.2
397.38232	0.4
496.33786	0.2
597.48413	0.2
756.42731	0.2
756.55444	3.9
757.55298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.2
56.05037	0.6
56.98568	0.1
57.07070	0.2
58.06350	0.2
58.06609	0.3
60.08167	5.8
67.05486	0.5
69.07088	0.2
69.18153	1.4
71.07372	2.9
74.81470	0.1
77.70429	0.1
79.05492	0.5
81.07076	0.3
83.08617	0.2
86.09709	27.9
87.10036	0.3
93.07065	0.4
95.08649	0.3
98.98466	3.1
104.10743	2.0
105.07050	0.2
107.08600	0.2
119.08608	0.2
123.94660	0.1
125.00010	19.7
143.01027	0.2
184.07346	100.0
185.07687	0.5
301.25058	0.2
347.92914	0.2
496.33725	0.2
756.55511	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	757.2189
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.26774	0.1
54.02226	0.2
55.01848	0.2
55.60204	0.1
57.03443	1.2
61.02893	0.5
62.39902	0.1
68.99779	0.2
69.03443	0.9
71.04998	7.7
71.50771	0.2
73.02892	0.3
75.04458	0.4
75.33783	0.1
81.03394	0.4
83.04941	0.5
84.04497	0.2
84.08145	0.2
85.02911	11.2
85.96051	0.1
87.04423	0.3
91.05526	0.1
97.02880	1.1
99.04439	0.3
107.04937	0.3
109.02841	0.3
111.00773	0.3
111.04417	0.4
114.93208	0.1
116.08476	0.1
121.02880	1.5
127.03962	0.9
129.05476	2.2
131.30139	0.2
133.02858	0.3
135.04367	0.3
136.06154	0.7
137.02333	0.3
137.06010	0.2
145.04979	0.8
147.04387	0.6
147.06503	0.7
153.01831	1.8
163.03920	1.6
164.00800	0.2
164.04202	0.3
165.01848	0.9
165.75185	0.1
167.07048	0.3
183.02899	0.6
185.05917	0.4
197.06128	0.2
213.05443	0.8
231.06543	0.7
241.04910	0.5
255.06808	0.1
258.05289	0.7
259.05991	0.3
259.46014	0.1
286.09167	0.2
287.05508	100.0
288.05865	1.8
329.06705	0.3
449.10828	26.3
450.11429	0.7
611.16095	0.4
757.24878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71871	0.9
53.03944	2.8
55.01861	4.3
55.05510	17.8
57.03426	2.7
57.07080	12.3
58.40345	1.0
61.02926	2.9
65.74860	0.9
67.05508	25.6
68.99789	2.4
69.03432	21.3
69.07071	47.2
71.04998	6.0
71.08636	4.1
71.52647	1.2
71.66032	1.0
73.02926	2.9
77.05366	1.1
79.05494	12.7
81.03423	14.5
81.07059	94.4
83.04984	2.0
83.08621	27.5
85.02908	46.9
85.06550	12.9
85.10167	2.8
87.00831	19.6
91.05482	5.8
93.07054	16.5
95.04976	3.6
95.08611	100.0
95.69081	1.1
97.02904	15.8
97.06564	2.4
97.10173	20.2
99.04456	5.7
99.08097	7.8
105.01868	25.0
105.07050	5.1
107.04998	2.2
107.08602	19.3
109.02884	15.0
109.06519	1.2
109.10163	59.6
111.08064	3.9
111.11719	15.9
113.09623	2.9
115.03963	1.7
115.11295	1.4
117.01823	1.8
117.06984	1.6
119.08607	5.0
121.06496	1.3
121.10155	10.5
123.04394	1.3
123.08067	2.1
123.11715	28.4
125.13292	7.5
127.03924	34.4
127.11153	7.7
129.01839	2.7
129.05476	1.3
129.07005	1.7
129.12790	2.5
131.08565	3.6
133.06529	1.8
133.10118	4.2
135.04391	2.0
135.08107	2.3
135.11708	11.0
137.05945	2.7
137.09619	1.4
137.13258	18.0
139.14812	2.3
141.12770	1.4
143.08571	1.3
143.14365	5.2
145.02769	1.1
145.04962	13.2
145.10167	2.3
147.02837	1.1
147.04366	1.5
147.11702	2.6
149.13266	19.5
151.14822	30.4
153.12758	3.2
155.14343	1.6
157.10037	1.2
157.15901	1.6
159.02893	3.8
159.11710	2.1
161.13264	2.0
163.03932	10.0
163.14787	11.2
164.04285	2.0
165.09175	2.2
165.16403	14.5
167.07114	1.2
169.10150	1.4
169.15952	5.2
171.11668	1.2
171.13834	2.0
173.09656	1.6
173.13274	1.4
173.15469	1.5
177.16405	5.8
179.17966	4.9
181.05031	1.7
183.17445	2.3
185.13220	1.3
187.11171	1.2
187.14940	1.6
189.03879	1.4
191.18030	2.4
193.19574	2.3
197.13261	1.2
197.18996	2.6
205.19521	3.1
211.20581	1.5
213.04042	1.9
214.79028	1.2
219.21049	3.3
223.20663	1.4
231.05048	8.7
237.22166	3.5
239.23605	2.0
249.06125	6.2
267.26910	1.3
275.27359	12.8
281.28403	8.5
291.26712	2.6
293.28397	40.4
305.28412	2.0
311.16498	1.2
311.29434	32.8
323.28964	1.4
325.09021	1.3
329.30478	8.3
335.29459	1.1
383.29449	4.6
401.30569	6.7
419.31607	3.0
479.33585	3.1
487.30402	2.6
505.31552	7.5
523.32733	3.9
541.34180	2.8
757.26849	1.6
757.39526	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	757.472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85867	0.5
53.03951	0.8
55.05510	1.6
57.03428	1.6
57.07081	2.9
58.67542	0.5
61.02929	4.0
67.05496	3.0
69.03432	2.2
69.07072	0.9
69.15564	5.2
71.04999	1.1
71.07379	0.5
71.08630	1.3
72.57845	0.5
73.02919	3.4
77.81309	0.5
79.05494	1.4
81.03412	2.9
81.07059	2.9
83.04992	0.6
83.08622	1.4
85.02905	4.9
85.10197	1.2
86.09691	2.6
87.04465	1.1
91.03962	3.5
91.05488	2.0
93.07055	2.5
95.04987	0.8
95.08624	2.9
97.02902	4.4
99.04430	0.7
101.02396	1.5
105.07058	1.6
107.08588	0.6
109.02880	1.0
109.10172	1.4
119.08611	1.0
121.10155	1.2
123.11725	0.7
125.00008	2.1
127.03955	1.1
131.08566	0.8
133.10149	1.3
147.11737	1.5
149.09639	1.3
157.10172	0.6
175.11304	0.5
184.07344	9.9
184.08812	0.8
185.04263	0.9
185.07692	1.5
193.12239	0.6
225.14896	1.0
243.08502	1.9
283.15298	3.5
309.63147	0.6
313.27496	1.5
316.89493	0.6
339.17773	0.6
497.30951	6.6
501.23093	10.6
757.46991	100.0
758.47430	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	758.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.9
53.10667	0.8
55.01880	8.4
55.05276	1.3
55.05517	20.4
57.03442	14.4
57.07078	2.2
57.40217	1.1
59.04978	1.5
61.02922	4.7
65.03951	2.6
65.95423	1.2
67.05508	62.4
69.03411	2.4
69.07075	18.7
69.40218	7.5
71.01351	3.4
71.04984	3.6
74.92033	0.9
74.92649	0.9
79.05498	49.7
80.05815	1.1
81.03419	15.8
81.07060	58.3
83.01337	2.8
83.04984	14.4
83.08626	10.5
85.02917	7.4
85.06548	2.9
86.09720	2.0
91.03948	1.8
91.05484	29.4
93.07048	61.5
95.04984	9.6
95.08612	44.4
95.09104	0.9
97.02892	9.8
97.06548	8.4
97.10163	4.6
99.04459	2.2
99.08084	1.9
105.04537	1.4
105.07040	20.7
107.04958	10.6
107.08600	31.8
109.02866	1.3
109.06557	4.9
109.09474	1.5
109.10162	18.9
111.04449	9.1
111.08098	3.9
111.11728	2.3
117.07018	13.3
119.08593	19.1
121.06483	4.1
121.10150	33.1
123.08062	4.6
123.11681	5.1
125.06007	2.0
125.09640	3.3
129.06990	3.2
131.08575	15.5
133.10150	11.3
135.08052	2.7
135.11700	25.4
137.09637	2.2
137.13220	1.9
139.07582	1.4
139.11192	3.4
143.08577	2.8
145.06502	2.9
145.10121	23.6
147.08061	4.3
147.11673	6.3
149.09656	2.4
149.13266	5.8
153.12738	11.1
155.08568	3.2
158.26822	1.0
159.11732	5.4
161.13263	3.8
161.20711	1.0
163.11194	33.3
163.14853	2.8
164.11594	1.0
165.09071	1.5
167.10678	1.3
171.11713	1.5
173.09612	6.7
173.13277	3.2
175.14861	1.8
181.12251	8.5
181.88374	1.0
184.07384	3.0
185.11743	1.4
185.13220	2.1
187.14810	1.6
191.10692	9.3
209.11740	24.3
227.12791	16.5
235.10263	1.0
243.21103	4.6
245.13898	5.8
259.20590	2.9
261.22174	13.4
265.14401	4.8
267.15878	1.4
283.15424	28.8
285.21939	1.3
299.23663	2.2
301.16473	70.5
302.16782	1.1
317.24835	3.1
333.24008	1.3
335.25827	100.0
336.26096	3.6
433.31152	2.9
451.32184	4.1
469.33008	3.4
487.34180	1.6
515.37256	1.5
525.35718	10.1
543.36853	58.0
544.37054	2.4
561.37897	88.3
562.38226	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01873	8.5
55.05513	29.3
57.03436	21.9
57.07075	3.5
59.05005	2.8
61.02914	5.7
64.53416	1.3
65.03935	6.1
67.05506	83.2
69.03418	4.0
69.07074	24.2
69.23086	12.5
71.01350	3.3
71.04982	4.4
71.08607	1.7
76.78890	1.2
77.03931	1.7
79.05498	68.5
80.98460	1.6
81.03429	18.4
81.07061	81.7
83.01358	2.6
83.04987	21.5
83.08624	16.2
85.02914	9.9
85.06537	2.5
86.09692	2.5
91.03974	1.5
91.05481	47.9
93.07045	77.4
94.07383	1.8
95.04967	15.6
95.08607	56.3
97.02895	13.3
97.06544	13.0
97.10184	7.4
99.04444	2.7
99.08064	1.5
105.07035	28.6
107.04964	14.9
107.08595	42.1
109.02888	2.0
109.06540	6.7
109.10159	26.2
111.04434	12.5
111.08100	6.4
113.09675	1.5
117.07013	19.9
119.08583	26.4
121.06504	4.2
121.10146	32.3
123.08035	4.9
123.11702	7.7
124.99957	1.7
125.06004	2.5
125.09622	4.1
126.60481	1.5
129.07001	5.5
130.07739	2.2
131.08577	22.9
133.10123	17.6
135.08047	4.1
135.11691	30.2
137.09578	3.0
139.07413	1.4
139.11165	2.4
143.08595	4.8
145.06453	3.0
145.10117	29.7
147.08028	4.4
147.11696	11.2
149.09616	4.0
149.13257	6.6
151.11186	2.7
153.12746	10.1
155.08575	4.2
157.08945	1.3
157.10126	3.3
159.11679	10.3
161.13277	7.0
163.11185	30.3
163.14796	4.1
171.11722	2.0
173.09669	8.7
173.11934	1.3
173.13246	6.3
175.11162	1.8
175.14813	2.1
181.12320	8.0
183.11722	2.0
184.07454	6.4
184.08913	1.5
185.13271	1.6
187.14771	1.9
189.11189	2.0
189.16258	1.3
191.10715	10.8
199.14888	2.2
207.11809	1.6
209.11736	32.8
213.16481	2.5
227.12810	16.8
243.21089	3.8
259.20612	3.2
261.22083	17.9
265.14240	2.5
273.22156	2.8
277.21643	2.0
283.15396	57.3
299.23776	2.6
301.16461	61.3
317.24835	4.2
333.24265	2.7
335.25806	100.0
336.26071	2.4
353.61832	1.5
415.29791	2.0
433.30969	5.6
451.32028	11.6
469.33109	7.9
487.34607	1.7
506.86353	1.6
507.34647	2.0
525.35834	18.2
543.36816	89.5
544.36932	3.2
561.37836	51.8
778.26862	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.2
55.01861	5.9
55.05272	2.4
55.05515	33.1
57.03440	24.6
57.07058	4.1
58.71039	1.9
60.08144	1.8
61.02908	6.0
65.03938	3.3
67.05508	68.6
69.03430	4.9
69.07072	23.8
71.04991	12.1
71.37707	1.9
71.38064	1.8
72.40413	1.5
79.05496	77.9
81.03422	75.1
81.07058	80.8
83.04978	26.1
83.08624	34.6
85.02911	37.7
85.06538	5.7
86.09693	5.4
91.05482	97.0
93.07047	69.6
95.04967	34.5
95.08068	2.9
95.08617	38.5
97.02880	7.7
97.06522	8.6
97.10165	10.7
99.04425	2.2
99.08085	5.1
103.05470	2.7
103.30570	2.0
105.04500	2.7
105.07035	100.0
107.04944	14.2
107.08603	42.7
109.06517	8.6
109.10162	19.4
111.08084	15.1
113.05984	4.8
115.05402	4.0
117.07021	20.3
119.08591	76.2
121.06539	3.9
121.09322	3.2
121.10146	36.5
123.08042	5.5
123.11694	7.2
125.00012	2.1
125.09608	5.7
128.06204	3.8
129.07011	27.1
129.07930	3.2
131.07599	3.3
131.08578	47.1
133.06522	3.2
133.10141	63.7
135.07957	1.9
135.11700	22.7
137.09575	3.2
139.07390	1.9
141.06953	2.0
142.07802	6.4
143.08563	15.5
145.10123	27.3
147.08075	5.4
147.11690	59.0
149.09607	12.1
149.13269	13.4
155.08632	2.2
157.10152	28.0
159.11687	21.6
161.13255	23.3
163.03954	2.3
163.11172	4.5
163.14835	5.0
165.12706	3.3
169.10106	4.9
171.11684	16.0
173.13261	15.4
175.11185	17.3
175.14835	11.1
177.12593	2.3
181.10182	2.1
183.11687	3.7
184.07338	17.3
185.13264	11.6
187.14815	3.3
193.12244	48.5
195.11580	3.4
197.13239	4.4
199.14790	8.0
201.16225	2.1
203.14301	2.0
209.13284	2.5
211.13275	62.6
213.16336	4.2
215.17982	3.0
227.12769	5.6
229.14346	3.5
231.21042	5.6
239.17935	2.2
241.19522	27.3
257.19052	2.7
259.20587	74.8
265.14493	2.3
267.15921	25.6
269.17511	3.3
275.20096	2.4
283.15408	6.8
283.20432	1.9
285.16965	72.1
297.22095	3.0
315.23099	7.8
330.76358	2.1
333.24249	67.0
334.24750	2.3
349.23938	2.3
421.25845	2.0
433.30917	11.0
451.31848	10.7
469.32965	5.4
503.66724	1.8
507.34906	2.7
515.37372	7.4
525.35785	39.5
543.36853	98.8
544.37024	2.6
554.59930	2.1
561.37415	2.7
651.38538	3.1
687.40698	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	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.01880	5.1
55.05272	1.4
55.05515	18.8
57.03191	1.3
57.03443	13.3
57.07072	3.0
60.08165	1.3
61.02932	5.1
65.03946	3.9
67.05508	74.8
67.21402	1.0
69.03426	3.9
69.07072	19.7
69.36390	2.3
69.36806	6.1
71.05003	5.9
71.08646	1.5
73.02915	1.3
79.05496	49.0
81.03416	8.0
81.07059	61.9
83.04990	13.3
83.08633	11.1
85.02908	6.5
85.06534	5.1
86.09708	2.8
87.04448	1.0
91.03954	2.8
91.05483	41.9
93.07047	60.5
95.04969	12.3
95.08611	47.1
97.02893	8.2
97.06538	8.3
97.10152	3.9
99.04475	3.1
99.08107	1.9
103.05480	1.6
105.04562	1.2
105.07040	28.4
107.04956	11.0
107.08601	35.8
109.02898	1.2
109.06509	5.4
109.10164	26.5
111.04434	10.3
111.08100	3.7
113.05961	2.0
113.09663	1.4
115.05502	1.5
117.07017	14.9
119.08583	27.8
121.06497	3.9
121.10151	27.9
123.04436	2.0
123.08065	4.5
123.11695	6.2
125.00017	2.1
125.05957	1.6
125.09647	3.1
128.06233	1.6
129.07045	6.3
130.07791	2.3
131.08571	20.0
133.06470	2.0
133.10135	22.1
135.08081	5.3
135.11693	24.8
137.09608	3.7
137.13266	1.9
141.07028	2.1
143.08551	6.0
145.06505	3.4
145.10130	29.2
147.08069	4.3
147.11694	10.2
149.09621	6.6
149.13245	6.6
151.11208	3.4
153.12698	1.9
155.08615	4.7
157.10121	6.6
159.08054	1.4
159.11697	9.8
161.09656	3.6
161.13272	5.3
163.11195	15.0
163.14816	2.8
165.12816	1.1
167.08626	1.4
167.10721	1.1
169.10081	3.5
171.08046	1.5
171.11682	5.4
173.09677	6.6
173.11852	2.1
173.13181	5.4
175.11192	2.9
175.14850	2.0
177.12733	1.8
181.10109	1.8
181.12236	2.6
183.11725	3.3
184.07373	10.3
185.13248	3.8
187.11137	1.8
187.14874	2.2
191.10652	6.4
193.12292	1.7
195.11801	2.1
197.13312	2.0
199.14848	3.2
201.12750	1.8
209.11685	18.9
209.13356	1.9
211.14868	1.4
213.12798	1.0
220.07097	1.0
223.14767	1.3
227.12769	3.6
227.16405	2.2
229.14400	4.3
241.19519	1.6
243.21057	3.8
247.16743	1.2
253.14354	3.2
255.15933	3.2
257.19052	1.6
259.20639	3.6
261.22144	10.2
267.16068	1.2
271.20459	1.4
273.22125	4.2
277.21832	1.1
283.15408	72.2
284.15771	1.4
285.16968	2.1
289.21588	1.6
297.22244	1.2
299.20114	1.7
299.23511	1.8
301.16467	9.0
301.21597	2.4
315.23166	4.7
317.21091	2.2
317.24789	2.7
327.23068	1.4
333.24332	2.5
335.25827	54.7
336.26151	1.9
337.20840	1.0
347.25598	1.3
357.24249	1.1
363.25687	1.0
373.23804	2.5
389.26846	1.4
415.29858	1.8
423.32672	2.3
433.30991	7.5
451.32025	13.4
464.46344	1.0
469.33157	9.3
487.34262	4.6
507.34488	3.8
515.37238	3.7
525.35815	22.2
543.36847	100.0
544.37115	3.0
561.37903	28.1
572.01526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.01881	1.1
55.05515	16.4
57.03445	6.6
57.07074	2.5
59.05006	1.4
61.02924	2.7
65.03938	2.5
67.05509	68.6
69.03432	2.1
69.07072	13.5
70.07386	0.7
71.04996	21.6
71.37520	0.8
71.37854	1.1
73.02927	0.9
73.06567	0.7
77.09882	0.6
77.71745	0.5
79.05495	34.8
81.03432	1.2
81.07060	100.0
82.07394	0.9
83.04996	4.8
83.08626	9.2
85.02911	3.1
85.06539	6.8
86.09723	2.0
91.03963	1.5
91.05487	29.5
93.07049	41.5
95.04972	2.6
95.07989	1.2
95.08611	24.8
97.02892	1.7
97.06545	5.6
97.10151	3.0
105.04512	1.2
105.07034	19.2
107.08598	23.8
107.31857	0.7
109.02881	0.6
109.06532	2.2
109.10162	14.0
111.08126	3.0
111.08849	0.6
117.07012	5.0
119.08594	9.1
121.06483	0.9
121.10156	16.5
123.11716	14.8
124.99997	0.9
125.09638	1.1
129.06956	0.8
131.08580	8.2
133.10138	19.7
135.11700	12.3
137.09633	0.8
145.10121	5.3
147.11684	4.0
149.09729	0.7
149.13272	6.9
151.11180	7.7
153.12793	1.1
159.11728	7.4
161.13277	2.9
163.14851	1.4
169.12305	1.6
171.11740	1.3
172.28067	0.6
173.13246	3.3
175.14848	1.3
177.12769	2.7
179.14427	0.8
183.11731	0.6
183.13805	3.2
184.07344	4.8
185.13298	0.8
187.13339	3.7
187.14798	1.3
195.13777	1.1
201.14879	1.2
201.16495	0.7
224.75732	0.7
225.12158	0.7
225.14769	0.7
227.16492	2.7
243.15919	0.9
253.17918	1.4
257.17490	2.3
259.20767	0.8
261.22232	2.5
269.17410	5.6
297.40530	0.6
301.20108	23.5
309.42255	0.6
315.23242	0.8
317.24844	1.1
335.25827	24.4
393.31467	0.7
411.32715	1.9
437.34299	1.3
441.12027	0.8
443.66327	0.6
445.23492	0.8
454.37982	0.6
485.36356	4.3
503.37341	93.1
504.37421	2.9
511.37991	1.6
517.38715	3.9
529.38910	17.5
530.39282	0.7
547.39539	0.7
561.41541	93.8
562.41864	2.7
584.86041	0.7
647.41498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	4.6
56.96839	0.2
69.74126	0.9
71.94312	0.1
71.95238	0.2
84.96033	2.3
86.97571	0.3
98.97585	13.6
110.96834	0.3
110.97564	3.8
112.99129	1.4
114.96972	0.2
115.95406	0.2
116.98616	2.3
124.95451	0.5
124.99127	4.9
126.96983	0.3
128.98615	1.6
131.00168	1.2
132.98012	0.2
134.99605	0.2
136.99036	0.4
139.00629	0.3
140.98593	4.5
142.96449	0.4
143.00166	9.2
144.98047	0.4
146.99603	0.6
152.98604	0.4
155.00175	0.9
156.98033	0.5
157.01646	0.2
158.99667	6.5
160.21977	0.2
161.01225	2.5
162.99083	0.3
164.98587	0.2
170.99673	2.3
173.01202	0.8
174.99101	0.5
177.00719	3.3
182.99655	0.9
185.01144	0.2
189.00716	1.1
191.02232	0.2
194.99689	0.2
195.01692	0.3
201.00674	2.1
219.01756	17.5
220.02022	0.2
225.97345	0.2
237.02823	100.0
238.03188	0.6
239.03363	0.3
255.03883	48.4
256.04214	0.4
257.04272	0.3
260.04437	1.5
261.02817	1.9
265.02341	2.1
273.04996	1.2
278.05441	0.5
279.00888	0.4
279.03891	7.3
283.03427	1.4
291.03879	7.8
297.04996	2.0
303.03903	0.7
305.02094	0.3
305.05331	1.2
309.04935	2.2
315.03900	3.6
317.05432	1.0
321.04971	4.1
323.06509	0.4
333.04941	4.0
335.06631	0.8
339.05969	0.6
345.05121	0.3
351.06079	0.7
363.06110	1.2
381.07074	15.1
399.08118	17.4
417.04724	34.4
418.05109	0.6
422.09698	0.3
423.08240	0.3
435.05783	6.4
441.09061	0.9
453.09039	1.2
458.07306	0.7
489.95609	0.2
540.23334	0.2
543.12408	0.3
561.13422	3.4
566.56323	0.2
603.14429	3.7
702.59753	0.2
723.18658	30.5
724.19092	0.9
759.16675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.5
71.52817	0.9
81.07060	1.6
86.09704	3.8
93.07090	1.1
102.09435	0.7
102.43746	0.9
116.83261	0.9
121.49564	0.8
125.00018	3.4
131.91985	0.8
180.78470	0.8
184.07359	12.6
185.07809	0.9
186.68240	0.9
209.15536	0.9
223.03502	0.7
226.57716	0.9
269.05289	0.8
402.19095	1.0
403.19119	1.0
405.20923	0.8
415.19504	1.7
417.20813	1.2
418.21582	0.9
421.23636	1.4
427.19604	1.1
428.20667	1.1
429.21057	2.7
430.22232	1.1
433.24023	2.2
443.22568	3.4
444.23160	2.4
445.19592	1.4
446.20786	1.3
457.24323	1.9
458.25027	1.5
459.21277	1.7
460.22516	4.5
468.23337	1.0
471.21506	0.9
472.22879	3.1
473.23236	2.0
474.24240	0.9
476.21292	1.0
483.22116	1.4
484.23035	1.5
485.23413	3.6
487.24896	3.0
495.17596	1.1
501.23361	2.4
502.23431	2.2
503.24124	1.8
505.22272	1.3
509.20251	1.1
510.20721	1.6
513.22986	1.5
517.26172	1.4
524.21869	1.1
525.22980	2.1
537.22473	1.2
539.24963	1.1
540.23450	0.9
541.22424	2.3
545.25482	13.8
546.26355	1.8
550.24066	1.0
553.21600	1.7
554.19025	1.5
555.19745	1.1
557.25793	1.0
559.27258	2.2
566.22943	1.9
567.23987	1.9
569.21814	7.3
573.25134	2.3
580.25220	1.2
581.23914	1.5
585.25220	2.6
586.26471	1.2
587.26532	1.4
596.24786	1.1
597.23804	1.2
605.27814	3.9
609.25177	1.3
612.27399	1.3
628.26837	1.2
640.26501	2.2
653.27808	0.9
656.26563	1.2
671.28821	1.3
683.28595	1.8
699.28149	18.7
727.27673	27.3
728.28052	1.1
731.31409	1.3
758.47260	9.5
759.30286	100.0
759.47229	15.9
760.30670	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	760.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01875	1.2
55.34620	0.8
60.08144	0.9
65.03928	1.8
67.05503	1.9
71.52638	1.1
74.06190	0.6
75.95310	0.7
78.04742	0.8
79.05495	4.7
80.06341	0.7
81.07050	1.7
86.09730	4.3
91.05485	9.3
93.07050	2.3
94.04185	1.1
95.04967	2.5
95.08614	1.1
97.06507	1.0
103.05476	4.1
105.03387	1.1
105.07027	3.3
106.04183	1.2
107.04971	7.3
107.08591	1.7
108.05751	3.0
109.06499	3.0
109.10155	1.0
109.82723	0.7
115.05472	3.0
117.07031	4.4
119.04951	1.7
119.08614	2.0
121.06511	16.8
122.03649	1.4
122.07292	1.4
123.04447	2.0
123.08114	1.5
124.99989	2.4
125.06007	0.8
128.06255	1.4
129.06979	2.7
130.07811	0.9
131.04942	6.3
131.08572	1.2
133.02783	0.9
133.06485	2.8
133.10155	0.9
134.07292	1.0
135.04404	6.3
135.08051	9.5
135.16472	0.7
136.05231	5.9
137.05983	30.3
138.03127	1.0
143.04875	1.0
143.08601	1.7
144.05710	1.0
145.06485	8.5
146.07274	16.9
147.04413	2.0
147.08063	3.9
149.06000	4.9
149.09584	1.8
150.06775	1.0
151.07550	100.0
152.08226	1.7
153.05479	9.7
153.06685	1.3
157.06488	3.6
158.07237	4.7
159.08081	4.6
160.05157	4.3
160.08862	2.1
161.06015	6.4
162.06761	4.1
163.03938	1.2
163.07582	3.0
164.08347	0.8
165.05453	4.5
165.06789	0.6
165.09154	2.8
167.07022	0.9
171.08055	1.6
172.08841	15.2
173.05991	8.3
173.09608	1.3
174.06772	7.7
175.07562	8.7
176.08301	6.1
177.05614	1.8
177.09119	36.8
179.07039	6.1
181.04964	1.5
182.07262	0.7
184.07365	12.5
184.08824	0.8
185.09633	1.1
187.07536	1.9
188.08322	23.0
189.09113	22.6
191.07071	1.3
191.10661	4.4
193.04970	2.9
195.06505	0.8
199.07520	1.4
200.08308	0.8
201.09158	5.1
202.09564	0.7
203.06976	2.1
203.10677	21.9
204.21286	0.7
205.04907	1.1
205.08643	1.3
211.07491	1.2
213.05550	1.5
214.06206	1.3
217.08615	1.5
219.08208	1.3
219.10123	7.2
221.09723	0.9
225.09065	0.8
227.07036	0.9
229.08653	1.6
232.08784	1.1
237.09180	0.9
238.09773	0.7
239.10783	1.0
240.08020	1.3
241.08633	1.5
243.10330	1.4
245.09682	0.8
247.07567	2.2
247.09669	56.6
248.10246	1.3
249.09042	2.0
253.08676	2.2
254.09296	1.3
255.10136	2.6
257.08008	1.7
261.09146	2.4
262.09949	1.9
263.10727	2.1
265.08612	0.9
267.10370	0.9
270.08966	2.8
271.09677	15.5
274.09827	1.4
275.10608	1.5
276.11383	0.9
277.08774	3.6
277.11954	1.0
278.09470	1.5
278.13004	1.1
279.10126	1.9
279.13504	0.8
281.08295	0.8
282.08707	0.8
285.11234	9.8
287.12628	0.8
289.08752	1.1
289.12259	3.2
290.09564	1.2
291.10129	3.9
292.10852	1.4
293.08344	1.4
293.11685	1.4
295.09747	1.5
301.10754	2.3
305.08432	1.5
305.11752	5.1
306.12448	1.7
307.09732	1.7
307.13162	1.0
308.10522	0.9
309.11310	2.1
313.10724	3.0
319.09692	1.5
319.13278	1.2
320.14075	4.1
321.11270	3.8
321.14694	1.3
322.11749	1.3
323.09048	1.5
323.12668	2.3
325.14072	0.9
335.12759	1.9
336.13422	5.1
337.10800	2.0
338.11453	1.5
339.15814	4.8
341.13770	2.6
351.12228	4.3
353.13879	1.1
355.11710	1.8
355.15561	1.3
357.16855	1.3
369.13315	9.9
387.14401	6.4
475.18082	0.9
477.35706	0.9
489.19055	4.6
507.20224	23.6
508.20724	0.9
549.21118	0.8
693.26544	2.2
707.28436	2.6
711.28119	8.0
725.29590	63.7
726.29437	3.0
743.30658	24.6
760.41046	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.0
55.01865	3.9
55.05518	24.0
57.03441	24.3
57.07074	2.0
59.05009	1.5
61.02927	2.0
65.03946	3.9
67.05509	75.1
69.03432	6.1
69.03746	1.2
69.07076	19.0
70.68025	3.9
71.04986	5.9
71.08625	1.3
77.03951	2.5
79.05498	56.0
81.03423	100.0
81.07064	75.0
81.15226	1.3
83.04974	7.2
83.08627	25.5
85.02901	3.3
85.06544	3.8
89.03165	1.1
91.05486	38.9
93.07050	61.0
95.04969	32.4
95.08614	52.1
97.02888	3.3
97.06538	5.1
97.10188	9.5
99.08129	1.7
105.07036	28.8
105.67123	1.3
107.04962	8.5
107.08599	33.5
109.06522	5.6
109.10157	21.5
111.04440	1.8
111.08070	7.6
115.05563	1.4
117.07029	10.0
119.08595	31.6
121.06493	4.8
121.10157	29.3
123.04481	1.5
123.08047	3.3
123.11726	7.6
125.09628	4.4
129.07005	11.2
131.08578	23.9
133.06494	4.4
133.10139	18.1
135.08133	2.9
135.11684	16.9
137.09618	3.4
137.13231	1.5
139.11162	1.3
142.07788	3.3
143.08551	2.4
145.10138	12.9
147.04466	1.5
147.08046	4.1
147.11703	18.1
149.09641	6.7
149.13257	11.0
151.11006	1.3
157.10139	13.8
159.11710	8.9
161.13185	6.9
163.11192	4.5
163.14828	5.6
165.12743	3.0
169.10132	1.9
171.10275	1.4
171.11676	3.0
173.13274	7.1
175.11174	10.1
175.14836	3.9
177.12769	2.2
177.16400	2.5
179.14340	1.2
183.11623	1.5
184.07356	3.4
185.13130	1.7
187.14851	4.2
189.11208	4.1
193.12274	22.5
199.14883	2.3
211.13264	3.3
227.12814	8.2
233.15427	2.2
235.13196	1.8
243.21216	6.6
249.14891	2.2
259.13110	1.6
261.22144	21.4
267.15939	99.1
279.23224	2.3
285.16910	1.5
301.14206	2.3
301.25027	5.8
309.17004	3.0
317.24808	4.4
335.25815	91.3
336.26306	1.8
357.27548	1.4
421.25516	2.8
435.27161	3.9
435.32639	5.4
453.33777	11.3
471.34781	5.9
509.36011	1.6
527.37366	71.6
528.37372	2.5
545.38403	62.7
546.38312	1.6
563.39319	5.4
569.38232	5.2
623.39063	2.0
671.41571	2.3
760.42969	6.0
785.64343	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	2.6
70.64902	1.0
70.75725	1.0
70.96675	1.9
79.05491	1.3
81.07041	1.8
86.09709	2.3
91.05457	1.5
93.07056	1.4
95.08604	1.3
97.04459	1.0
97.05103	1.0
123.44959	1.0
141.10400	0.9
173.67574	1.0
184.07297	1.7
378.90594	1.0
382.35394	1.3
450.10056	1.0
498.59293	1.1
546.38586	2.2
578.41553	1.3
761.38647	100.0
762.38989	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	761.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05508	1.3
57.03430	1.8
58.72095	0.5
60.04504	0.7
61.02935	4.0
67.05512	3.2
69.03426	2.3
69.07092	0.8
71.05002	0.7
71.52055	0.8
73.02919	3.5
79.05495	4.1
79.63951	0.6
81.03422	1.8
81.07073	4.0
83.04974	0.5
83.08604	0.9
85.02912	4.5
90.04212	0.6
91.03959	2.9
91.05484	3.7
93.07050	5.0
95.04965	0.6
95.08622	1.8
97.02896	3.2
97.06525	0.9
99.04453	0.9
101.02365	1.4
105.07027	2.9
107.04913	0.6
107.08619	2.5
108.73172	0.6
109.06502	0.6
109.10162	0.8
115.18260	0.5
117.07063	1.2
119.08624	2.1
121.10162	1.4
127.03902	1.5
131.08597	1.1
131.95526	0.5
133.10173	1.5
135.11676	1.7
145.10144	1.6
147.11650	1.1
159.11754	0.8
161.13351	1.0
163.11221	1.3
184.07361	0.8
185.04283	0.8
230.60728	0.6
243.08516	2.2
249.10847	0.7
301.09009	0.8
308.95764	0.6
309.76691	0.6
465.21118	1.6
467.18921	5.8
533.27051	0.8
535.28784	5.7
599.36328	0.9
761.40796	100.0
762.41156	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	763.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05510	1.5
57.03435	1.7
61.02937	3.7
61.59228	0.6
67.05511	4.4
67.16117	0.6
69.03435	3.3
69.07074	1.6
70.17946	0.6
70.48362	0.7
71.06764	1.4
71.07087	0.6
73.02924	3.9
79.05499	5.8
81.03423	2.8
81.07059	3.9
83.04980	0.7
85.02895	5.7
91.03967	2.3
91.05491	4.8
93.07058	5.2
95.04962	1.1
95.08614	2.6
96.85558	0.6
97.02908	3.0
99.04478	1.3
101.02401	1.5
103.04005	0.6
105.06440	0.9
105.07010	4.3
106.12173	0.7
107.08597	2.1
109.02876	0.9
109.10146	1.0
113.03040	0.7
117.07066	0.8
119.08622	2.8
121.10187	1.9
127.03962	1.8
131.08617	2.0
133.10167	2.7
135.11682	0.9
147.11748	1.9
159.11760	0.8
171.11751	0.8
184.07236	0.7
185.04254	0.9
193.12175	0.7
238.21594	0.7
243.08553	2.1
251.12747	1.3
333.24280	0.9
360.40063	0.7
469.20493	6.3
535.28845	7.7
621.27649	1.1
763.42371	100.0
764.42499	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	763.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01862	0.7
55.05508	1.3
56.94053	0.4
57.03432	2.0
61.02929	5.3
67.05509	6.7
69.03429	3.1
69.07070	2.1
70.59610	1.2
71.01361	0.5
71.05003	0.7
73.02917	4.3
79.05483	3.8
81.03432	2.7
81.07064	5.8
83.04980	0.7
83.08614	0.9
85.02916	5.2
87.04449	0.6
91.03970	3.7
91.05472	2.5
91.44662	0.5
93.07034	4.0
95.04973	0.7
95.08607	4.0
97.02903	5.8
97.10157	0.6
99.04449	1.0
101.02399	2.7
103.03896	0.5
105.07040	1.3
107.08592	2.5
108.90469	0.5
109.02911	1.1
109.06446	0.5
109.10201	1.5
115.03898	0.5
117.07030	0.7
119.08616	1.8
121.10168	1.5
127.03930	1.3
131.08591	1.1
133.10146	1.0
135.11714	1.4
137.09656	0.6
145.10149	1.1
147.11708	0.6
153.12790	0.5
159.11778	0.5
163.11211	0.8
185.04269	0.9
193.12175	0.4
203.05371	0.5
226.89301	0.6
243.08492	1.5
267.12128	2.8
267.15973	0.8
335.25845	0.8
441.17200	3.2
467.19180	0.5
485.20239	2.8
519.29425	8.2
530.39264	0.7
601.11298	0.6
719.39838	2.9
745.39978	1.0
763.42365	100.0
764.42712	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	763.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.9
56.05036	0.7
57.03426	2.0
58.80848	0.6
60.08173	1.3
61.02931	6.3
67.05510	6.0
69.03429	3.8
69.07059	1.4
71.52650	0.8
73.02924	4.3
73.03258	0.6
79.05490	4.0
79.94179	0.7
81.03432	3.1
81.07053	6.6
83.05009	0.7
83.08617	1.3
85.02900	4.3
86.09708	4.2
87.04506	0.7
91.03960	3.9
91.05497	3.0
93.07046	5.1
95.04958	0.7
95.08601	3.9
97.02891	5.2
99.04480	1.0
101.02383	2.1
105.07040	1.6
107.08604	2.8
109.02901	1.1
109.10181	1.5
110.04611	0.6
119.08588	1.5
119.10119	0.6
120.08613	0.6
121.10137	1.8
123.11683	0.7
125.00015	3.0
127.03935	2.0
131.08577	1.3
133.10139	1.2
135.11699	2.1
137.13319	0.7
145.10121	1.3
153.12668	0.8
163.11197	1.7
184.07358	15.0
185.04230	1.1
185.07739	2.1
197.08365	0.7
210.37878	0.6
216.73064	0.7
243.08403	1.8
249.10893	0.7
267.12167	2.1
267.15973	1.1
271.59735	0.7
335.25769	1.3
337.27487	1.0
338.27658	1.1
397.74722	0.8
440.99072	0.7
441.17435	2.4
467.18994	1.9
485.19656	3.5
519.29248	7.1
519.36285	0.9
530.39331	1.1
548.40338	0.8
713.45770	2.2
719.40125	1.0
745.41199	4.8
763.42316	100.0
764.42419	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	763.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.05498	0.7
55.20115	0.7
57.03431	1.6
59.05001	0.7
61.02927	4.5
67.05512	6.0
69.03433	2.9
69.07085	1.9
69.59994	4.3
71.05007	2.8
73.02923	3.0
79.05499	2.7
81.03439	2.0
81.07063	5.6
83.08656	1.0
85.02901	4.9
85.21896	0.8
86.45609	0.6
91.03973	3.6
91.05476	3.5
93.07037	3.3
95.08618	3.2
95.64338	0.7
97.02889	4.8
97.06509	1.1
98.21578	1.3
101.02394	2.8
105.07026	1.5
107.08610	1.9
109.02892	1.5
109.10162	1.0
117.07008	1.1
119.08630	0.7
123.11742	1.1
125.79755	0.7
127.03999	1.2
131.08559	0.7
131.72978	0.7
133.10153	1.5
135.11769	1.2
145.10146	0.9
149.13290	1.3
151.11183	1.1
159.11700	0.9
161.41730	0.7
173.13431	0.7
185.04256	0.9
187.13411	0.7
188.34370	0.7
243.08490	2.3
267.15781	2.3
301.16714	0.7
401.06677	0.7
485.23477	7.5
519.29242	6.0
763.46021	100.0
764.46320	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	765.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.05513	1.4
57.03453	1.8
61.02934	6.1
67.05511	5.4
69.03439	3.7
69.07075	1.8
70.23879	1.4
71.01365	0.6
71.04990	1.1
73.02921	4.8
79.05492	4.1
81.03415	2.6
81.07066	6.0
81.07533	0.5
83.04961	0.4
83.08621	1.1
84.21443	0.4
86.09708	0.5
87.04475	0.7
91.03976	3.6
91.05487	3.0
93.07052	4.7
95.04984	0.7
95.08617	4.0
96.54265	0.4
97.02903	5.5
97.06532	0.3
97.10152	0.4
99.04489	1.5
101.02402	2.0
103.03957	0.7
105.07037	1.8
107.08608	1.5
109.02882	0.9
109.10180	1.5
112.55264	0.4
117.07030	0.7
119.08621	1.0
121.10156	2.9
127.03898	2.0
129.07028	0.9
131.08607	1.1
133.10143	0.7
135.11729	0.7
139.11198	0.5
145.10214	0.8
147.11674	0.6
149.09636	0.5
157.10168	0.4
184.07245	0.8
193.12238	0.5
218.38246	0.4
225.11043	1.1
243.08369	2.1
251.12520	0.5
269.13739	1.7
282.81259	0.3
302.74423	0.4
308.85583	0.4
335.25854	0.9
443.18881	3.8
469.20801	0.9
487.21384	3.3
519.29321	9.8
647.83716	0.4
721.41376	2.5
747.43054	0.8
765.43976	100.0
766.44489	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	768.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07477	0.7
55.01865	3.0
55.05274	1.1
55.05514	14.4
57.03448	4.0
61.27815	0.7
62.58146	0.7
64.56266	0.6
65.03940	1.6
67.05511	31.2
69.03439	4.2
69.07072	19.1
71.04977	2.3
71.52768	1.4
73.06547	1.0
79.05496	33.6
81.03416	6.3
81.07062	22.9
83.04987	7.3
83.08624	5.7
85.02885	0.9
85.06555	1.5
91.04906	1.2
91.05489	27.9
93.07049	32.9
94.04181	0.7
95.04971	11.4
95.08616	13.2
97.02907	5.2
97.06524	2.4
97.10174	7.6
99.08103	0.8
100.53004	0.8
103.05486	1.1
105.07042	22.2
107.04971	6.4
107.08598	12.5
109.06522	3.0
109.10151	6.0
111.08096	1.2
115.05485	1.6
117.07011	6.7
119.04984	1.1
119.08588	15.8
121.06493	3.8
121.10153	3.3
123.08063	3.4
125.09647	5.3
128.06206	1.3
129.07004	7.5
131.08554	5.9
133.06497	2.1
133.10139	6.1
134.07280	1.0
135.08049	2.5
135.11697	1.6
137.09583	1.7
143.08574	5.5
145.10138	6.2
147.08031	4.6
147.11699	14.7
149.09610	1.7
149.13304	1.0
157.10141	2.1
159.11740	2.5
161.09616	2.4
161.13277	4.5
162.10413	1.1
163.11189	2.0
165.09155	1.1
169.10193	1.1
171.10271	1.3
171.11676	10.7
175.11264	1.7
185.93980	0.7
189.11214	2.2
189.12793	4.7
193.12178	1.4
195.11577	0.8
199.11157	0.7
205.12357	0.8
207.13797	14.1
211.37860	0.8
223.13289	9.8
227.12828	3.8
231.17482	0.8
245.19075	0.8
249.14917	2.0
255.17464	0.9
267.15933	1.4
273.18494	11.0
281.14359	1.4
281.15253	0.9
281.17487	42.6
291.19571	57.7
292.19864	0.7
347.22171	2.9
365.23248	27.6
451.26941	2.0
473.28955	2.6
553.35272	4.1
563.91180	0.8
571.36310	100.0
572.36853	4.2
751.00537	0.7
790.16785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.3
57.03448	2.6
67.05178	1.7
67.05506	13.7
69.07077	4.1
79.05508	11.5
81.03430	1.6
81.07066	16.2
83.08617	3.3
91.05478	5.3
93.07056	17.2
95.04985	1.7
95.08618	18.8
97.02897	1.8
97.06536	1.2
97.10178	1.0
99.04494	1.0
105.07018	4.9
107.04960	2.3
107.08598	10.8
109.10155	5.5
117.07012	3.6
119.08611	4.1
121.06569	1.2
121.10143	7.6
123.11752	1.3
125.05966	1.0
131.08589	2.8
133.10130	2.7
135.11720	16.8
145.10120	8.9
147.11668	1.7
149.13257	2.2
163.11198	21.2
181.12236	3.6
209.11708	1.1
227.12796	50.1
243.21216	3.0
261.22125	7.3
267.15799	1.1
267.24936	0.9
283.15427	68.2
284.15652	1.9
313.27316	1.2
322.21341	1.1
335.25824	100.0
336.25952	1.2
543.36871	73.1
544.36987	2.6
653.30908	1.2
768.49133	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	768.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.9
57.03446	10.6
60.21490	4.0
63.92888	3.7
67.05506	27.3
69.07038	4.1
69.87636	5.6
69.88042	18.4
79.05481	16.6
81.03407	17.6
81.07065	31.5
83.04978	9.9
83.08598	9.5
84.86021	4.3
91.05475	15.5
93.07064	24.0
95.04974	7.4
95.08588	16.8
98.20734	5.6
101.28303	5.3
105.07022	12.4
107.08582	14.8
109.10138	6.8
119.08588	9.1
121.10158	11.2
125.09689	4.3
131.08556	5.6
133.10194	5.3
135.11737	9.9
144.53807	4.7
145.10146	6.1
154.47525	3.7
161.13284	5.8
161.99939	5.2
163.08228	5.1
163.09772	4.8
163.11180	14.2
209.11705	4.3
227.12744	9.7
261.22186	13.4
267.16141	9.1
272.58566	4.5
283.15442	100.0
313.27374	6.2
315.28168	6.4
325.85428	5.3
335.25821	72.3
505.38959	5.0
543.36694	45.1
586.39374	4.4
656.77722	5.3
664.17627	5.1
768.48145	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	768.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	13.0
57.07068	19.2
67.05509	40.0
69.07057	12.4
76.96163	7.4
79.05489	25.6
81.03425	35.3
81.07050	32.9
82.03735	8.8
82.99024	8.1
83.08617	18.2
91.05476	17.3
93.07047	24.4
95.08603	31.9
95.95000	8.7
105.07043	14.1
107.08604	18.3
107.66090	8.3
109.10168	11.6
112.52167	8.5
119.08576	15.3
121.10120	10.5
133.10135	10.5
135.11693	11.4
147.11806	8.9
162.41464	8.4
163.11182	15.0
184.07381	25.6
202.26205	8.3
227.12709	10.3
261.22238	21.9
267.15976	12.4
268.16238	13.5
283.15430	100.0
283.74374	8.5
313.27356	16.2
314.27762	13.5
335.25909	91.4
346.12262	7.9
368.46271	10.2
391.50763	8.4
406.62842	8.8
543.36609	76.1
582.57336	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	25.6
57.03437	12.1
57.07077	8.8
61.02924	2.5
65.03931	2.2
67.05506	51.9
69.03421	2.2
69.07070	34.6
71.08609	3.2
79.05502	27.6
81.07061	55.1
83.08635	17.6
85.02919	4.1
85.10190	2.7
85.58381	2.0
91.05489	14.1
93.07052	37.1
95.08609	45.1
97.02910	2.1
97.10190	9.5
99.08132	1.9
105.07027	9.7
107.08611	19.7
109.10172	21.4
111.11724	2.4
117.07034	2.8
119.08588	8.8
121.10152	24.2
123.11705	8.7
131.08556	7.6
133.10132	7.6
135.11708	17.8
145.10144	5.9
147.11725	5.9
147.79268	1.8
149.13283	8.3
150.50040	1.7
159.11717	5.5
161.13239	3.9
163.14832	3.0
173.13261	3.9
175.14828	2.1
177.16330	2.4
187.14784	2.2
195.00385	2.5
200.42792	1.9
219.21049	3.0
237.22044	5.4
243.21167	6.4
261.22174	29.8
311.25827	100.0
317.24811	6.3
335.25818	87.7
336.26147	2.6
351.11005	1.9
496.25784	2.0
542.59583	2.0
571.47198	39.2
589.48145	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	770.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	11.2
55.05509	19.1
57.03437	9.0
59.04981	1.7
61.02923	3.8
65.03938	3.4
67.05505	58.9
69.03425	4.9
69.07067	18.8
69.84663	1.3
70.80488	1.3
71.01350	2.1
71.04997	7.6
71.26302	1.8
77.03942	1.6
79.05012	1.6
79.05491	46.3
81.03419	15.9
81.07059	63.8
81.35027	1.1
83.01340	5.5
83.04980	19.8
83.08616	13.9
85.02902	7.1
85.06533	6.1
86.55159	1.2
91.03962	2.0
91.05482	57.7
93.07044	51.3
95.04980	15.2
95.08607	24.0
97.02896	5.5
97.06538	10.2
97.10174	3.6
99.04492	2.4
99.08110	2.0
103.05448	1.9
105.06310	1.9
105.07031	50.2
107.04961	12.5
107.08595	43.0
109.06527	13.5
109.10160	51.3
110.24890	1.1
111.04425	2.9
111.08076	3.7
113.06007	2.6
115.05428	1.5
116.06197	1.1
117.07005	15.8
119.08595	24.5
120.38499	1.2
121.06527	10.5
121.10148	10.8
122.69645	1.2
123.08059	8.8
123.11702	6.1
125.09637	2.1
127.07586	2.5
128.06213	2.5
129.06996	6.4
131.04921	1.5
131.08589	12.8
132.86128	1.1
133.06517	3.8
133.10130	66.4
134.37715	1.1
135.08070	7.3
135.11697	15.1
137.09589	2.3
141.06953	1.3
143.08598	6.3
145.10124	17.5
147.08040	3.6
147.11691	6.0
147.61819	1.3
148.13818	1.8
149.09587	6.0
149.13283	2.3
151.11195	22.8
153.12770	2.1
155.08554	1.8
157.10149	3.8
159.08089	1.6
159.11694	6.2
161.09663	7.0
161.13275	4.9
163.11182	19.0
169.10222	1.8
169.12259	3.5
171.11723	4.4
173.09607	3.5
175.11200	3.9
175.14809	1.1
177.09140	2.4
179.10747	2.2
181.12262	2.4
185.13202	1.9
189.12738	2.4
191.10660	3.9
207.13828	2.7
209.11707	4.5
211.06970	1.2
215.12849	3.1
218.75430	1.2
223.13329	1.9
227.12802	5.2
229.14363	1.2
241.19594	1.3
245.19023	4.4
253.14363	100.0
255.17545	2.2
257.18900	1.3
259.20609	3.4
263.20218	3.0
269.17508	3.3
273.18506	21.9
275.20114	2.3
281.17249	6.0
283.15381	66.2
291.19577	22.0
297.16885	3.0
309.20554	1.4
333.24173	2.1
347.22195	10.0
349.24033	1.6
365.23221	28.2
461.28708	2.1
475.30701	12.5
477.24832	2.1
479.26440	53.1
480.27078	1.5
555.32294	10.1
573.34216	73.0
574.34753	2.9
603.22852	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	8.8
55.05516	26.6
55.05759	0.9
57.03442	8.1
57.07052	1.2
59.04971	2.3
61.02895	2.3
65.03928	1.2
66.81495	0.5
67.05509	29.7
69.03437	8.9
69.07073	24.2
69.42333	3.0
69.42744	1.0
71.01331	1.0
71.05000	4.3
73.02898	1.2
73.06519	0.6
76.05673	0.5
79.05499	31.7
81.03429	12.2
81.07064	26.8
83.01349	6.0
83.04512	0.6
83.04987	10.6
83.08167	0.9
83.08624	14.5
85.02908	5.3
85.06535	1.2
87.04462	0.5
91.03941	0.7
91.05486	23.6
93.07050	32.4
95.04980	12.0
95.08610	12.9
97.02322	0.7
97.02900	12.3
97.06530	6.3
97.10180	10.2
99.04459	1.3
103.05418	1.3
105.04502	1.2
105.07042	18.5
107.04321	0.7
107.04964	10.7
107.08602	18.5
109.02858	0.6
109.06522	7.4
109.10162	7.4
111.04442	1.7
111.08083	3.4
115.05430	1.4
117.07030	10.6
118.25186	0.5
119.04911	1.5
119.08588	17.2
121.06525	4.5
121.10142	8.6
123.04437	1.0
123.07332	0.7
123.08089	7.5
123.11691	1.0
125.06007	1.1
125.09647	8.9
128.06190	1.2
129.07002	5.1
130.07764	1.9
131.08582	9.7
133.06482	2.1
133.10138	7.0
134.07210	1.2
135.08075	5.0
135.09616	0.5
135.11696	8.3
137.07858	0.5
137.09621	3.3
139.07529	0.8
141.06850	1.0
142.07738	0.6
143.08606	4.1
145.06465	1.2
145.10139	17.3
147.08051	6.8
147.11702	4.3
149.09602	2.6
149.13245	1.6
151.11150	1.1
151.88252	0.6
153.09085	0.8
153.12733	2.4
155.08524	1.5
157.10094	3.2
159.08014	1.1
159.11699	3.2
161.09659	3.8
161.13254	1.8
162.10376	0.9
163.11182	17.5
165.09084	1.6
169.10123	1.2
169.12265	1.3
171.10306	0.8
171.11621	3.0
173.09691	2.5
173.13219	1.4
175.11162	1.6
177.12827	1.1
181.12212	1.8
185.13286	1.4
189.11208	2.7
191.10632	2.4
193.12192	1.0
195.13800	0.8
205.12210	2.0
207.13892	0.7
209.11740	3.7
211.13019	0.6
223.13304	17.0
227.12793	6.9
227.17880	0.6
249.14839	2.9
253.14375	2.0
255.17503	0.7
257.19073	1.4
262.15561	0.6
263.20178	0.7
267.16040	0.8
273.18506	12.2
275.20181	1.6
281.17526	2.4
283.15417	72.2
284.15762	0.7
291.19562	95.6
292.19910	2.3
309.20544	0.8
347.22324	2.0
365.23267	47.4
366.23788	1.0
383.21988	0.6
453.24686	1.2
493.27808	3.6
541.35590	0.7
555.33038	3.3
573.34265	100.0
574.34595	3.5
591.35504	0.9
623.88867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	11.0
55.02105	2.5
55.05280	1.6
55.05515	29.1
57.03443	12.9
57.07059	2.7
57.76836	1.3
61.02922	2.2
65.03938	4.3
67.05508	77.6
69.03424	4.8
69.07072	29.8
69.25900	4.4
69.26318	8.9
71.04990	8.6
73.02926	2.0
79.05497	100.0
79.70916	1.3
81.03422	19.9
81.07057	76.3
83.04984	18.5
83.08622	16.3
85.02901	5.3
85.06523	3.5
91.05485	80.8
91.73505	1.4
93.07049	90.5
95.04973	22.7
95.08607	43.5
97.02890	4.2
97.06546	17.7
97.10176	12.6
99.08094	2.6
103.05470	1.6
105.04510	3.7
105.06322	3.6
105.07034	65.1
107.04964	16.6
107.08594	43.0
109.02865	1.9
109.06522	10.1
109.10160	14.2
111.08056	5.3
115.05439	2.0
117.07018	18.1
119.08594	38.6
121.06496	5.8
121.10141	15.4
123.08090	8.6
123.11666	3.2
124.85689	1.5
125.09679	7.3
127.03877	2.2
128.06207	3.2
129.07014	17.0
131.08574	17.4
133.06491	3.2
133.10129	24.9
135.07997	5.3
135.11703	11.7
137.09630	2.8
141.07022	2.2
143.08560	11.0
145.10141	21.1
147.08038	4.3
147.11691	43.8
149.09639	13.7
149.13228	3.8
151.11153	2.7
155.08559	2.0
157.10129	4.1
159.11685	13.3
161.09576	5.8
161.13243	15.4
163.11201	11.1
169.10144	3.4
171.11690	28.7
173.04388	3.0
173.13260	4.8
175.11201	2.2
175.14839	2.2
177.12750	3.0
179.14256	3.7
183.11639	2.6
189.11269	2.7
189.12712	10.8
191.14362	1.7
197.13469	1.5
207.11887	1.7
207.13791	29.9
217.66034	1.5
225.14748	1.9
227.12799	22.9
229.14307	2.6
229.19524	2.2
239.17955	3.3
253.14424	3.2
255.15775	3.1
257.19052	8.0
259.20526	2.6
267.15958	2.1
269.17474	8.3
275.20078	42.8
279.15808	2.7
281.17496	90.8
283.15359	6.4
291.19308	2.3
293.21005	3.6
331.22690	4.0
349.23709	24.6
367.25171	1.9
377.23172	2.3
423.98560	1.5
435.27368	7.2
451.26907	8.2
459.30847	2.2
461.29031	22.4
475.30576	76.1
515.33685	2.5
527.37305	2.1
530.52814	1.7
537.35693	3.6
555.36859	76.4
573.37885	7.9
619.34271	2.8
625.30988	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	770.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.8
57.03440	7.1
67.05512	26.2
69.03418	2.8
69.07061	7.2
69.98180	12.3
69.98488	2.3
71.05012	2.9
73.65375	2.8
79.05499	21.8
81.03419	20.7
81.07054	24.5
83.04962	4.1
83.08618	7.3
85.02864	7.0
91.05470	21.2
93.07041	18.5
95.04967	10.5
95.08611	20.3
96.79192	2.5
97.02869	3.5
97.06497	3.2
98.20795	3.8
105.07031	11.9
107.08591	8.8
109.10168	6.8
111.08091	4.2
115.36545	2.5
117.06989	7.4
117.69376	2.5
119.08578	10.6
121.10149	10.4
123.11701	3.5
129.07005	5.4
131.08574	8.3
133.10141	7.5
135.11719	6.3
137.09604	2.7
145.10138	4.3
147.11688	8.0
149.09671	4.8
149.13231	3.6
157.10121	5.6
159.11720	3.3
161.13257	3.8
163.14795	3.5
175.11192	4.5
193.12251	27.8
200.76955	2.8
211.11360	4.1
211.13301	49.0
220.08376	2.5
243.21056	3.7
259.60657	3.2
261.22110	11.9
267.15939	19.7
285.16983	71.5
317.24863	4.3
335.25830	100.0
336.26135	4.1
355.86731	2.7
527.37268	22.9
545.38428	95.0
770.50769	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	770.505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.2
57.03426	10.0
63.57317	4.8
67.05518	27.3
69.07069	13.7
71.52627	10.4
79.05487	21.3
81.03416	30.8
81.07067	28.4
83.04975	6.1
83.08607	17.8
91.05472	22.9
93.07037	23.7
95.04953	10.2
95.08609	17.7
105.07018	17.9
107.08621	10.5
109.10146	8.3
119.08579	8.9
121.10146	12.8
131.08560	11.7
133.10115	13.1
135.11743	5.5
145.10123	5.6
147.11682	11.4
153.31134	5.7
156.14133	4.8
157.10127	8.2
171.49545	5.1
175.11179	11.5
184.07335	14.0
193.10693	5.9
193.12236	35.5
211.13297	81.9
211.56442	5.6
232.73712	5.2
236.49011	5.2
261.22055	10.2
267.15894	21.6
285.16962	100.0
335.25803	94.0
406.80975	6.0
527.37115	12.4
545.38440	85.4
636.95099	6.2
770.49078	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	771.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	8.4
56.96828	0.6
69.03391	0.5
69.14974	2.1
69.15398	2.2
69.74606	0.4
71.95229	0.8
80.53886	0.4
84.96048	3.6
85.02856	1.5
90.95499	0.4
97.02830	0.6
98.21539	1.0
98.97593	42.6
105.00158	1.1
110.96877	0.5
110.97578	8.5
111.85485	0.5
112.99105	0.7
116.97871	0.4
116.98633	7.9
123.01180	0.5
124.99068	1.5
125.87373	0.4
128.98616	4.8
130.05098	0.5
130.08643	0.4
131.00111	0.6
132.99603	0.9
134.99612	1.2
139.00575	0.5
140.00113	0.5
140.98615	2.7
143.00183	3.9
146.99591	1.5
148.05989	0.4
151.00653	1.2
152.98593	1.1
153.02214	0.8
155.00082	0.4
158.99678	19.9
159.01051	1.1
160.99086	0.9
161.01193	1.6
163.03912	1.3
165.02199	0.5
169.01730	1.0
170.99673	6.1
173.01160	0.7
174.99150	0.5
177.00677	7.7
177.02219	6.2
179.00116	1.8
179.03802	1.1
182.99681	7.9
187.02663	0.5
189.00711	3.9
194.99495	0.5
195.03320	4.5
197.01259	2.8
201.00723	13.9
201.02592	0.7
203.00075	0.7
205.01831	2.6
205.03380	0.5
205.54442	0.4
213.00690	1.0
213.04401	0.7
215.02321	1.0
219.01776	11.0
221.01228	3.6
222.01161	0.5
223.02792	6.9
231.01711	1.6
237.00728	0.7
237.02838	6.1
239.02281	5.3
241.03888	4.3
243.01801	6.7
246.99104	0.5
249.00633	4.1
255.03859	1.5
257.03381	1.2
259.04877	1.0
261.00211	0.8
261.02844	11.3
265.00198	3.5
265.03870	1.5
267.01764	11.9
268.02164	0.5
273.02930	0.8
279.03952	5.7
283.01242	3.9
283.04779	1.3
285.02829	69.3
286.03223	0.7
291.03857	1.5
303.03888	59.0
304.04343	1.1
308.04333	1.2
309.02765	16.5
321.04987	3.9
326.05609	0.6
327.03897	100.0
328.04218	1.2
345.04968	14.9
350.05563	2.4
369.04956	19.9
381.07205	1.2
387.05917	4.6
429.07077	37.8
429.57248	0.6
441.09131	1.2
447.08145	38.7
448.08350	0.8
470.09964	2.0
489.09241	21.5
490.09750	0.5
519.10162	4.2
523.09595	0.6
549.11444	3.7
565.14557	1.1
573.11957	1.1
591.12506	6.1
609.13202	2.7
651.14532	2.1
771.18707	34.3
772.18945	0.8
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
55.01740	0.8
55.02017	0.8
55.05369	5.8
55.05674	4.8
57.03296	2.7
57.03612	1.7
57.06942	0.9
61.02773	8.6
61.03131	5.2
65.03830	0.9
65.04123	0.8
67.05344	12.5
67.05753	6.3
69.03268	4.2
69.03693	2.0
69.06902	5.5
69.07330	2.8
69.16472	1.1
69.16878	2.9
71.01225	0.8
71.01560	0.6
71.04832	1.2
73.02746	5.4
73.03213	2.1
74.97148	0.4
79.05313	11.0
79.05831	3.9
81.03236	2.4
81.03745	0.6
81.06875	14.7
81.07417	4.8
81.26588	0.4
83.04795	1.3
83.08430	3.3
83.08978	0.9
85.02716	8.6
85.03291	2.7
85.06396	0.8
85.61472	0.5
87.04331	0.6
91.03759	4.3
91.04382	0.9
91.05286	11.0
91.05919	2.5
93.06853	12.4
93.07510	2.9
95.04759	1.3
95.05363	0.7
95.08407	14.9
95.09086	3.4
96.38807	0.5
97.02695	8.4
97.03394	1.8
97.06335	1.8
97.09974	2.2
99.04292	1.0
99.04864	0.6
99.07933	0.5
101.02162	1.4
101.02867	0.8
103.05302	0.7
105.04385	0.5
105.06820	10.8
105.07610	2.0
107.08379	9.0
107.09185	1.7
109.02702	1.1
109.06376	0.7
109.09950	5.6
109.10742	0.7
111.07906	1.0
115.05231	1.4
117.06794	6.7
117.07720	0.9
119.08362	10.5
119.09309	1.5
121.09916	6.9
123.07895	0.6
123.11479	1.9
123.12296	0.7
125.09417	0.7
127.03694	1.6
128.05972	2.2
129.06776	7.9
129.07819	0.8
130.07628	0.8
131.08328	9.5
131.09389	1.1
133.09894	7.6
133.10971	0.8
135.07880	0.4
135.11456	4.1
137.05833	0.5
137.09483	0.7
137.13101	0.9
139.11003	0.5
141.06740	4.2
142.07515	2.1
143.08316	9.7
143.62440	0.5
144.09123	1.0
145.06233	0.5
145.09872	10.0
147.11443	4.1
149.09404	0.7
149.13005	1.9
151.14651	0.4
153.06783	1.0
154.07574	1.1
155.08311	8.4
156.09088	1.5
157.09877	9.9
159.11436	6.8
161.12994	2.3
163.11029	0.7
163.14613	1.2
165.06772	1.0
166.07539	0.7
167.08327	3.5
168.09123	1.1
169.09874	11.7
169.11411	0.8
170.10704	0.7
171.11435	9.2
171.13013	0.7
172.12260	0.6
173.13251	4.6
175.14546	1.4
179.08531	2.0
180.09114	0.9
181.10112	4.7
182.10657	0.8
183.11694	11.2
183.48341	0.4
184.12244	0.7
185.09410	0.6
185.13263	7.1
187.10930	0.5
187.14548	2.6
189.16141	1.2
192.09158	0.5
193.09848	3.0
194.10596	0.7
195.11713	7.0
196.12213	0.8
197.13278	9.0
199.14844	4.7
201.16151	1.2
203.17776	0.5
205.09927	0.9
205.15671	0.5
207.11743	2.6
209.13239	5.9
210.13828	0.5
211.14806	5.5
213.16409	3.1
215.17668	0.9
219.11595	0.8
221.13289	2.2
223.14874	4.3
225.16357	3.1
227.18066	2.1
229.19218	0.5
233.13002	1.2
234.14041	0.5
235.14896	2.0
236.15184	0.4
237.16464	2.9
239.17992	2.3
241.17558	0.7
241.19583	0.8
247.14742	0.9
249.16118	1.2
251.17696	1.7
252.04968	0.4
253.19519	0.9
255.17258	0.6
257.18756	0.8
261.16187	0.6
263.17712	1.0
265.19205	1.0
267.20932	0.6
269.18683	0.6
277.19144	0.6
279.21057	0.6
283.20239	0.5
293.18839	0.7
295.20346	0.9
297.21909	0.7
307.20554	0.5
309.22025	0.6
311.23441	0.9
321.21841	0.8
323.23602	0.6
337.25027	1.3
339.26532	1.0
341.24393	0.7
347.23590	0.6
351.22864	0.5
351.26675	1.0
353.24564	0.8
363.26389	1.3
365.28354	0.8
367.26028	0.8
377.28452	0.6
379.29837	0.9
421.30927	0.5
435.32376	0.9
447.32285	0.8
449.34128	0.5
461.33633	0.5
473.32761	0.5
483.34714	0.5
499.33682	0.7
499.39984	0.6
501.35547	0.8
513.35999	0.7
515.37628	1.0
517.40411	5.2
521.36029	0.5
523.37915	0.9
527.37427	0.8
535.41638	2.1
539.37781	1.9
540.38190	0.5
541.39001	0.9
543.37463	0.5
545.15405	0.5
553.38861	0.6
573.42657	0.8
581.42395	0.6
591.43994	7.4
593.44910	0.5
607.43433	1.7
609.45129	100.0
610.45496	3.5
611.46753	0.8
621.44745	1.0
633.45380	0.6
651.46210	0.9
675.46088	0.7
717.47437	0.7
735.48407	1.1
753.49408	1.5
771.50531	22.4
772.50348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84682	0.8
55.01873	11.0
55.05514	20.9
57.03198	1.1
57.03442	14.8
57.07053	2.1
59.04996	3.1
61.02911	3.1
65.03930	2.2
67.05506	49.6
69.03434	6.2
69.07071	18.3
69.77307	0.7
70.60835	1.6
71.01360	2.0
71.04993	6.5
73.02895	1.2
77.03909	1.1
79.05497	41.9
81.03421	24.1
81.07059	58.1
83.01336	6.4
83.04981	16.9
83.08154	1.5
83.08620	17.2
85.02917	9.5
85.06542	3.8
91.03938	2.2
91.05483	35.1
93.07046	51.6
95.04971	11.6
95.08607	23.2
97.02914	6.4
97.06537	11.3
97.10174	3.8
97.92524	0.8
99.04450	2.7
99.08070	2.2
103.05476	1.0
105.04465	0.9
105.07035	22.4
107.04300	1.3
107.04961	12.1
107.08603	32.3
109.02867	2.0
109.06532	9.9
109.09482	1.0
109.10163	13.0
111.04444	3.5
111.08092	5.9
111.11671	1.0
113.05983	0.9
115.05477	0.9
117.07027	13.9
119.07821	1.4
119.08597	20.1
121.06512	6.2
121.10143	15.1
123.04403	1.2
123.08070	10.9
123.11698	3.4
125.05994	1.8
125.09617	2.8
127.03903	2.3
128.06230	1.5
129.05522	1.5
129.06967	5.2
130.07802	1.8
131.04997	0.8
131.08583	12.6
133.06473	2.0
133.10143	20.4
135.08107	4.1
135.11699	15.9
137.09607	3.2
143.08542	2.2
145.06462	1.0
145.09067	1.6
145.10129	20.6
147.08061	3.3
147.11717	6.1
149.05974	0.8
149.09618	7.3
149.13248	9.1
151.11160	2.6
153.09059	1.1
153.12737	2.1
155.08543	3.4
157.06548	1.6
157.10132	4.1
159.11694	7.6
161.09648	1.6
161.13272	1.3
163.11188	25.7
167.14226	0.8
169.10164	1.8
171.11684	1.9
173.04407	1.4
173.09633	4.0
173.13257	2.5
175.11191	2.0
175.14752	0.8
177.12730	1.8
179.10677	1.0
179.14297	1.3
181.12245	3.0
183.11790	1.0
187.11131	1.6
189.11267	1.3
191.10628	2.5
193.12263	4.4
195.13846	4.4
209.11798	5.0
211.13242	5.0
217.15749	1.1
220.65015	0.8
227.12756	6.3
229.14288	1.3
229.19453	1.4
239.17949	1.6
247.20540	1.3
251.16478	1.0
253.14384	6.7
255.15877	9.6
257.18988	3.3
265.14410	1.3
267.15991	4.1
269.17487	25.1
270.96579	0.8
273.18591	1.6
275.20093	15.2
283.15405	64.7
284.15848	1.3
285.16968	5.3
291.19571	4.4
293.21112	1.2
301.98618	0.9
309.20828	1.2
331.22934	0.9
349.23804	11.6
365.23132	5.4
367.24768	2.9
413.21637	1.6
437.25204	3.4
445.26053	1.7
453.24487	1.0
459.27289	2.9
463.20337	1.6
463.26917	22.6
477.28506	100.0
478.28827	2.2
481.27759	1.7
539.33466	2.3
557.34747	21.0
558.34698	1.1
575.35681	13.1
575.44110	1.6
610.42322	1.5
621.32434	2.8
673.16119	0.9
760.65820	0.8
772.47687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	17.5
55.05513	43.3
57.03436	19.8
59.04989	6.1
61.02907	4.9
65.03927	4.1
67.05508	63.4
69.03432	12.4
69.07069	36.4
71.01350	1.7
71.04987	9.1
71.25884	3.9
73.02888	3.0
79.05495	68.6
81.03417	34.8
81.07059	75.9
83.01336	8.9
83.04992	26.9
83.08627	32.4
85.02908	18.1
85.06528	5.1
90.72417	1.6
91.03944	2.5
91.05485	56.6
93.07047	68.4
95.04969	24.9
95.08609	35.6
97.02907	10.0
97.06547	16.9
97.10162	17.1
99.04424	4.2
99.08103	2.1
105.04518	2.1
105.07030	45.0
107.04961	20.7
107.08603	49.7
109.02909	3.4
109.06521	12.3
109.10146	15.4
111.04478	4.3
111.08056	7.0
115.05491	4.3
117.07030	23.0
117.49785	1.7
119.07795	3.0
119.08584	33.5
121.06530	11.3
121.10149	23.3
123.08073	14.8
123.11697	2.9
125.09624	13.0
127.03880	4.1
129.05481	2.3
129.07028	8.6
130.07773	2.7
131.08575	23.7
133.06467	3.7
133.10139	25.5
135.08093	12.2
135.11710	22.1
137.09608	6.7
142.07684	2.2
143.08543	6.6
145.10132	31.2
147.08040	6.1
147.11656	16.2
149.09647	16.3
149.13251	6.9
151.11191	6.1
153.12752	4.8
157.10115	7.3
159.11699	13.8
161.09630	2.0
161.13251	3.3
163.11192	29.6
169.10121	2.7
171.11646	2.3
173.09694	3.5
173.13255	3.1
175.11171	5.3
177.12778	3.6
181.12233	5.4
187.14752	1.9
189.11212	6.6
191.10678	2.8
193.12231	10.0
195.13828	5.7
209.11798	8.8
211.13319	15.1
223.13252	4.0
227.12796	22.9
229.14290	2.3
249.14780	3.9
253.14334	7.4
255.15932	8.0
257.18936	8.1
267.15820	11.0
269.17545	18.1
273.18579	9.0
273.39056	2.0
275.20047	32.4
283.15405	100.0
285.17029	16.1
291.19534	31.8
347.22244	2.8
349.23691	33.4
365.23175	16.3
389.17938	2.2
413.21530	3.2
437.25391	4.3
453.24734	6.9
459.27209	2.5
463.26828	21.2
477.28506	85.5
478.28586	2.7
539.33411	5.2
557.34802	66.6
575.27502	2.1
575.35907	37.2
621.31799	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	772.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.1
55.05513	19.2
55.77862	1.3
56.02215	1.5
56.02504	1.4
57.03444	14.1
59.04985	1.9
61.02917	3.7
62.30666	1.4
65.03925	2.2
67.05511	63.5
69.03419	3.9
69.07080	14.9
71.01331	2.6
71.04987	6.1
71.29227	1.4
75.29618	1.6
77.03935	2.2
79.05500	50.7
81.03421	24.9
81.06593	2.7
81.07063	53.7
83.01344	2.7
83.04990	11.4
83.08619	10.3
85.02934	9.3
85.06538	5.2
86.09714	2.0
91.05485	28.8
93.07050	52.9
95.04992	9.8
95.08615	40.4
97.02916	10.0
97.06547	11.8
97.10164	5.2
99.04507	2.1
105.07047	15.8
107.04360	2.0
107.04968	13.5
107.08602	31.6
109.06533	9.4
109.10170	15.6
111.04438	22.3
111.08100	2.2
117.07046	10.7
117.26527	1.3
119.08586	19.2
121.06484	6.6
121.10155	25.8
121.73140	1.5
123.08064	5.9
123.11689	2.9
125.05962	5.3
125.09598	3.1
129.07001	4.1
131.08574	13.8
133.10106	11.0
135.08066	4.1
135.11708	22.7
137.09599	3.4
137.13200	1.9
145.10127	24.7
147.08061	4.0
147.11693	5.2
149.09570	2.8
149.13249	2.2
151.11183	1.5
153.12779	8.6
153.13777	1.7
155.08517	3.0
159.11703	4.1
161.09637	1.6
161.13271	4.4
163.11192	23.7
169.10040	2.0
171.32303	1.7
173.09579	7.0
173.13214	4.2
175.14767	1.9
177.12845	1.6
181.12219	6.7
184.07326	6.1
191.10658	8.6
209.11700	7.4
209.13387	1.8
223.13272	13.8
227.12749	6.9
241.14365	23.1
243.21056	2.2
261.22018	8.1
265.14337	7.7
283.15421	14.2
297.17126	2.0
315.18021	45.2
317.24997	2.5
335.25815	88.5
336.26227	3.2
433.30792	1.8
451.32172	2.2
525.36005	13.4
543.36853	63.7
575.39459	100.0
576.39581	2.5
610.45367	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	773.2136
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.05503	0.1
57.03440	1.4
59.66662	0.1
60.45858	0.1
61.02897	0.5
61.11802	0.2
67.05470	0.2
68.99780	0.3
69.03069	0.1
69.03431	1.2
69.37975	1.1
70.06572	0.2
71.01326	0.2
71.02841	0.1
71.04996	6.4
73.02882	0.4
75.04465	0.3
81.03387	0.5
81.05616	0.1
82.22551	0.1
83.04929	0.5
85.02908	11.4
87.04433	0.3
92.48830	0.2
97.02883	1.1
98.20811	0.2
109.02839	0.6
111.00771	0.7
111.04421	0.4
121.02876	0.8
123.04441	0.2
126.26390	0.2
127.03920	1.1
127.42985	0.2
128.60808	0.1
129.04631	0.2
129.05487	2.3
135.04427	0.2
137.02333	2.2
137.05937	0.3
139.61882	0.1
145.04958	1.1
147.06517	0.7
149.02295	0.3
149.94876	0.1
150.09068	0.3
151.64311	0.1
152.05621	0.2
153.01836	2.3
161.06013	0.2
163.03925	1.3
165.01860	1.4
173.05946	0.2
183.02943	0.7
183.04303	0.2
187.03938	0.2
195.02882	0.2
198.18092	0.2
201.05527	1.1
219.06459	0.2
229.02722	0.2
229.04951	3.1
247.06049	0.7
257.04422	2.2
274.04715	0.5
275.05380	0.3
285.03958	1.2
302.03979	0.2
303.04993	100.0
304.05283	1.6
315.04834	0.3
345.06058	0.7
369.06119	0.3
449.11026	0.7
465.10324	29.1
466.10492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.2
57.07049	2.4
58.32109	1.8
61.02923	6.0
62.46353	2.0
65.83952	1.9
67.05503	5.7
68.42197	2.0
69.03429	5.4
69.16062	13.0
69.16467	7.3
73.02910	5.8
79.05501	3.4
81.07043	4.4
83.08646	2.2
85.02914	5.8
91.03976	4.6
91.05446	3.6
93.07040	4.0
95.57047	2.0
97.02907	5.6
105.07034	2.5
109.10182	2.3
121.10158	2.5
154.18231	1.9
179.33328	2.3
184.07343	5.5
243.08479	2.8
244.52382	2.2
295.26828	2.0
495.29681	3.7
519.29309	6.5
773.51788	100.0
774.52490	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	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	27.2
57.03433	14.8
61.02911	10.6
63.90699	4.0
65.03928	5.9
67.05186	7.7
67.05511	100.0
69.03432	8.0
69.07077	24.8
69.17444	6.7
69.17845	35.7
72.05149	4.2
79.05074	6.1
79.05501	82.2
81.03420	7.8
81.06590	6.8
81.07059	89.1
83.08604	14.9
85.02905	13.4
85.06573	7.4
91.03960	6.1
91.05489	74.2
93.07052	88.9
95.04983	5.1
95.08096	5.5
95.08630	60.4
97.02867	9.3
97.06516	10.5
97.10151	5.4
99.36253	4.0
105.07034	67.4
107.08598	49.2
107.55357	5.1
109.06509	7.4
109.10156	29.5
113.70699	4.0
117.07013	33.4
119.08592	58.6
121.10149	44.8
123.11662	12.8
128.06163	5.7
129.06978	12.1
131.08583	35.9
133.10162	48.1
135.11696	23.7
143.08562	18.4
145.10136	35.6
147.11691	44.7
149.09686	4.8
149.13243	15.7
155.08501	5.3
157.10109	19.3
159.07997	5.3
159.11713	26.9
161.13231	27.9
163.14801	7.8
169.10124	7.6
171.11671	18.9
173.13202	16.1
175.14824	10.9
183.11659	10.4
185.13235	12.4
187.14890	5.2
197.13309	9.8
199.14836	10.5
211.14868	7.7
225.16585	4.7
241.19582	18.6
257.19064	8.3
259.20590	48.2
261.22067	12.5
297.06241	4.4
333.24203	33.9
335.22144	5.2
335.25836	78.1
435.91431	4.8
519.41638	5.8
593.45306	13.2
611.46790	92.7
755.51453	5.5
767.42822	4.7
773.51624	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	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	35.3
57.03419	16.9
57.07077	5.2
61.02925	12.3
65.03934	7.2
67.05505	89.7
69.03445	7.5
69.07074	28.9
69.24780	4.1
71.05007	6.5
71.53473	5.2
73.02905	9.1
78.33718	4.7
79.05498	69.7
81.03415	9.5
81.07060	99.5
83.04970	4.6
83.08616	14.4
85.02894	13.0
91.03921	7.4
91.05477	80.7
93.07040	87.3
95.04967	12.6
95.08607	59.4
96.71555	4.0
97.02876	10.9
97.06517	6.3
97.10180	5.4
105.07036	75.6
107.08585	43.5
109.06471	5.5
109.10139	25.9
117.07026	24.0
119.08578	64.0
121.10152	39.7
123.11727	5.1
128.06189	4.0
129.07001	18.2
131.08585	39.3
133.06512	4.2
133.10139	51.0
135.11690	32.0
143.08569	16.7
145.10133	42.7
147.11699	39.3
149.13240	15.1
155.08568	11.3
157.10126	19.1
159.07977	4.2
159.11644	27.9
161.13254	28.6
163.14851	6.8
169.10144	7.3
171.11705	17.1
173.13216	21.9
175.14844	11.7
177.25961	4.1
183.11723	9.0
185.13249	18.5
187.14824	10.6
189.16365	5.7
197.13246	9.4
199.14888	6.3
211.14856	5.4
239.18031	5.3
241.19553	21.2
243.20987	5.1
253.83014	5.0
257.18802	6.4
259.20609	55.7
261.22147	7.2
313.21344	4.4
314.36240	4.5
333.24283	36.3
335.25793	66.6
337.27255	4.9
385.23389	4.8
407.51569	5.4
519.41650	7.1
593.45233	7.2
611.46698	100.0
719.49170	5.6
773.51495	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	773.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.9
55.05514	33.1
57.03437	21.4
57.07058	5.3
61.02923	11.8
67.05508	95.9
67.13457	3.1
68.51965	3.1
69.03428	8.5
69.07066	31.8
70.62689	3.6
71.04978	3.5
71.52869	4.3
73.02917	7.6
79.05071	6.1
79.05496	77.9
79.14885	3.3
81.03422	9.8
81.07060	99.3
83.04983	7.5
83.08617	14.6
85.02921	17.9
85.06554	4.6
89.23061	4.0
91.03952	7.1
91.05489	70.8
93.06485	6.5
93.07051	96.9
95.04986	11.2
95.08617	72.4
97.02887	12.2
99.08076	4.4
105.07034	65.9
107.04950	4.1
107.08598	49.1
109.06509	5.0
109.10176	26.4
115.05490	5.1
117.07016	27.8
119.08595	56.2
121.10155	43.7
123.08104	4.7
123.11674	6.1
125.09653	3.6
127.03889	4.0
129.07011	20.0
131.08563	43.9
133.10133	44.4
135.11711	25.8
141.07014	5.4
142.07755	4.3
143.08556	21.7
145.10129	41.3
147.11694	38.8
149.13281	10.4
155.08586	10.9
156.09152	4.0
157.10098	16.2
159.11734	26.0
161.13246	31.2
163.14862	7.4
163.47075	3.5
167.08533	5.9
169.10045	6.7
171.11681	16.7
173.13287	20.3
175.14804	16.7
183.11722	10.0
184.07278	4.3
185.13229	18.8
187.14862	8.8
195.11702	4.1
197.13332	4.6
199.14803	11.1
199.73561	3.5
209.13092	4.5
211.14822	3.9
213.16422	8.4
217.15967	3.5
228.86635	4.3
231.21103	8.6
241.19510	26.0
255.21071	3.8
257.19147	7.1
259.20593	47.9
261.22241	10.1
271.20480	4.4
331.22876	4.3
333.24252	35.5
335.25797	90.9
337.27289	4.8
367.22604	5.8
385.24084	4.5
593.45587	9.0
611.36456	4.9
611.46594	100.0
701.47443	6.4
773.51685	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	774.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	53.6
57.03438	10.5
61.42150	6.6
67.05511	67.2
69.03426	16.7
69.07059	23.9
70.24377	27.4
71.04986	21.2
71.83887	7.1
75.04433	7.6
79.05494	53.0
81.03424	62.0
81.07059	69.7
83.04960	27.0
83.08622	40.5
85.02913	46.8
91.05476	65.1
93.07059	48.4
95.04980	35.1
95.08604	20.6
97.02945	10.4
97.06519	10.2
97.10188	41.1
100.14893	6.7
105.07056	46.3
107.04961	20.1
107.08605	58.5
109.06469	10.3
109.10166	19.2
111.08051	9.8
117.06989	16.8
119.08600	40.5
120.38087	6.8
121.06503	11.6
121.10131	16.1
123.11691	10.6
125.09626	41.1
129.07008	15.0
131.08571	15.4
133.10121	31.1
135.11702	6.8
137.05983	100.0
143.08498	7.3
145.10141	24.8
147.11688	19.6
149.09607	16.3
151.07568	49.1
157.10120	19.9
159.11679	15.4
161.09619	6.9
163.03880	18.3
175.07567	27.8
175.11151	13.0
177.09082	14.5
187.07602	12.2
189.09149	7.7
189.11263	15.2
191.10596	7.2
191.95338	8.1
193.12230	37.3
197.13170	8.1
205.08554	21.6
211.13261	50.1
227.12784	55.7
257.18777	8.1
267.15887	18.2
271.09537	12.2
275.20172	32.4
285.16974	51.5
349.23721	37.4
367.40475	7.3
437.25586	11.5
455.26398	17.3
483.50659	8.3
493.18341	8.9
505.18356	14.3
507.19208	9.1
523.33801	7.5
541.34875	25.7
555.18030	7.0
557.21405	13.2
559.36298	81.3
565.24017	8.8
577.38000	8.4
641.24536	8.0
693.26538	28.4
711.28131	51.5
729.28217	31.9
774.35120	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	774.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	11.7
55.05281	2.3
55.05514	35.7
55.85136	1.8
57.03442	25.1
61.02912	5.0
65.03929	5.6
67.05508	75.7
69.03435	13.5
69.06738	3.0
69.07071	39.7
70.02317	6.8
71.04993	8.8
73.02908	3.5
76.11497	1.9
77.26774	1.6
79.05495	73.4
81.03423	91.2
81.07060	85.2
83.04549	2.8
83.04982	26.9
83.08618	39.5
85.02905	34.3
85.06525	5.1
91.05486	82.7
93.07046	71.6
93.07645	4.3
95.04974	37.5
95.08617	42.2
97.02914	10.6
97.06534	21.9
97.10162	16.9
98.21420	2.4
99.04421	2.5
99.08091	3.4
105.04512	2.8
105.07033	64.6
107.04952	16.1
107.08598	39.4
109.02882	4.2
109.06519	11.7
109.10154	11.6
111.04435	4.2
111.08079	19.3
113.05992	2.5
115.05420	3.0
116.06330	2.2
117.07008	19.0
119.08576	43.9
121.06483	7.0
121.10152	29.1
123.08079	9.0
123.11671	5.1
125.09618	14.2
127.03943	3.1
127.07539	2.4
128.06209	2.7
129.05475	3.8
129.07008	19.5
131.08566	36.3
133.06514	4.0
133.10136	40.7
135.08055	5.6
135.11691	9.3
137.09583	5.9
141.06937	2.6
142.07732	3.9
143.08530	4.2
145.10129	19.0
147.08037	4.5
147.11702	28.0
149.09631	27.1
149.13281	9.0
151.11211	3.7
155.08588	4.5
157.10133	23.8
159.11714	13.0
161.09657	2.5
161.13252	5.0
163.11192	10.2
165.12822	4.4
169.10077	2.9
171.10251	2.7
171.11571	3.9
173.04428	3.0
173.13226	4.3
175.11189	19.8
177.12766	3.7
179.14255	3.1
183.11790	2.5
183.74191	2.4
187.11113	3.2
189.11212	6.9
193.12247	59.3
206.23680	1.8
211.13295	87.6
227.12808	20.0
229.14375	3.5
229.19458	2.8
239.17876	3.7
245.13751	3.2
247.20557	3.4
249.14742	2.5
255.15927	6.7
257.19012	14.3
267.13052	2.4
267.15906	43.2
269.17422	20.3
270.93573	1.9
275.20068	49.0
285.16983	100.0
293.21127	3.7
313.21814	2.0
331.22552	4.1
349.23721	47.3
367.24713	3.8
381.22537	4.0
413.21567	2.4
437.25177	3.2
439.27185	2.1
443.28232	2.4
447.27380	10.8
455.26239	5.9
461.28979	26.0
465.28510	18.9
467.31525	3.1
479.30075	66.5
480.30533	2.9
541.35199	27.8
559.36310	66.0
577.37140	8.6
623.34235	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	774.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
55.05270	1.5
55.05517	19.6
57.03202	1.3
57.03444	19.7
57.07068	2.7
58.64720	0.7
59.04995	0.9
61.02926	1.3
63.78101	1.0
65.03932	3.5
67.05508	61.7
69.03423	3.5
69.07074	14.0
70.91571	1.7
71.04980	3.0
79.05499	41.4
80.56703	0.9
81.03423	90.2
81.07061	59.7
83.04991	6.9
83.08157	1.4
83.08625	22.1
83.67406	0.9
85.02895	1.3
85.06537	2.5
91.05487	34.7
93.07050	48.7
95.04984	27.5
95.08614	41.7
97.02870	2.6
97.06547	3.8
97.10184	7.0
97.55400	0.8
99.08131	1.2
105.04579	1.1
105.07040	23.3
107.04971	7.7
107.08604	24.2
109.06551	4.5
109.10157	19.6
111.04418	1.5
111.08096	7.4
113.24282	0.8
115.05473	2.0
115.79332	0.9
117.07032	9.2
119.08587	24.9
121.06519	3.4
121.09341	1.5
121.10158	22.0
123.04440	2.0
123.08064	3.6
123.11721	6.5
125.09678	4.9
126.89101	0.9
129.07024	10.7
131.08577	20.3
133.06480	3.3
133.10150	15.9
135.08066	1.9
135.11697	11.8
137.09636	2.8
137.13289	2.2
142.07739	3.2
143.08556	1.6
145.10130	8.9
147.08032	3.6
147.11687	13.8
149.09616	3.8
149.13274	7.4
153.09184	1.3
155.08546	1.4
157.10135	10.9
159.11707	7.1
161.13252	5.7
163.11176	2.5
163.14832	4.9
165.12781	2.7
169.10135	1.7
171.11702	2.6
173.13287	6.2
175.11174	9.1
175.14764	2.5
177.12679	1.7
177.16418	1.0
183.11734	1.3
185.13271	2.2
187.11319	1.2
187.14783	2.9
189.11220	3.6
193.12256	22.9
201.16420	1.2
211.13246	2.2
227.12827	5.0
232.57295	0.9
235.13248	1.7
243.21123	5.9
249.14897	2.8
261.22162	19.6
267.15930	100.0
279.23126	1.6
301.25266	5.8
303.22964	1.3
309.16776	2.5
317.24689	3.7
335.25812	85.1
336.26074	1.2
352.81552	1.0
417.31268	1.7
421.25729	3.2
429.20505	1.0
435.27225	2.2
435.32498	4.1
449.29135	1.3
453.33456	7.3
471.34723	3.9
509.36017	2.0
527.37354	65.8
528.37646	2.0
545.38397	54.5
546.38983	2.4
559.39410	1.6
569.38483	5.2
577.41028	1.1
623.39032	1.5
653.39734	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17240	0.4
54.84684	0.4
55.01851	1.1
57.03424	0.5
61.02921	0.5
65.03951	2.5
67.05492	1.2
69.03425	2.9
71.06156	0.6
73.02941	0.4
77.03923	0.5
78.04715	2.7
79.05469	1.7
81.03397	1.2
81.07046	0.5
82.04176	1.0
85.02915	4.1
91.05489	4.4
93.03387	1.3
95.04956	1.5
96.05746	0.4
97.02881	2.0
97.06541	0.6
103.05492	2.1
105.03386	0.4
106.04201	1.8
107.04966	3.3
108.02095	0.7
109.02888	0.7
110.03664	1.5
115.05461	5.7
117.07028	8.4
119.04951	4.3
122.03667	0.8
123.03613	0.4
123.04453	7.0
124.05248	2.6
125.06004	0.9
127.03963	0.6
127.05442	1.2
129.10225	0.4
130.04152	0.5
131.04913	1.1
132.05678	0.4
133.02806	0.9
133.06529	0.4
134.03745	0.4
135.04434	1.1
137.05998	5.7
138.03177	0.6
142.02611	1.3
143.04924	0.8
144.05588	0.4
145.06502	11.0
147.04416	5.0
147.08072	1.4
151.03926	1.9
151.07526	1.1
151.18414	0.3
152.04694	2.2
153.05478	1.8
155.04889	0.5
155.06041	4.9
159.04401	0.5
161.06020	1.2
161.98778	0.3
163.03891	1.2
165.05560	0.9
167.07056	100.0
168.07420	0.9
171.06540	1.5
172.05205	0.5
173.06003	22.5
175.07559	1.7
177.05475	0.6
177.06918	0.4
179.07002	1.8
181.04974	51.8
187.03922	0.4
188.04666	0.6
190.06285	0.6
191.07039	1.0
201.05461	1.3
203.07053	2.1
205.08598	6.4
207.10196	0.7
219.06531	0.7
221.08109	0.8
231.06544	0.8
233.08098	6.0
234.06750	0.5
234.08882	0.4
235.07573	0.8
235.09705	5.1
237.09146	0.6
247.07413	0.4
251.07104	0.5
263.06894	0.4
265.08710	1.4
283.09851	0.5
293.08237	1.3
294.08972	0.6
295.05771	0.4
297.11282	1.9
310.08444	1.3
325.10873	1.7
326.11490	0.6
329.14038	0.5
342.10971	0.6
353.10202	0.5
356.12576	0.5
357.13379	6.2
370.10617	0.5
385.12845	24.7
386.13455	0.9
387.14450	4.0
397.12900	1.6
403.14053	1.4
415.13791	3.2
416.14731	0.7
417.15488	33.2
418.15961	0.5
565.20557	0.5
577.19446	0.6
579.20831	0.5
595.21350	0.6
613.22858	13.3
614.23529	0.5
757.26324	0.4
775.28113	28.1
776.28186	1.0
782.96368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.0
61.02903	0.7
65.03943	4.1
67.05494	1.1
68.86898	0.4
69.03429	3.1
69.86668	2.1
73.02898	0.8
78.04713	2.9
79.05503	2.1
81.03425	2.5
81.07049	0.5
82.04169	1.4
85.02908	6.4
87.04442	0.5
91.03961	0.5
91.05488	5.5
93.03378	1.2
95.04944	1.7
97.02902	2.0
97.06496	1.2
98.20734	0.6
103.05470	2.2
105.03376	0.5
105.07011	0.9
106.04156	1.6
107.04955	3.2
108.02116	0.8
109.02866	1.0
110.03638	1.5
111.04424	0.6
115.05463	6.9
117.06264	0.5
117.07023	9.1
119.04945	5.5
119.08533	0.5
121.06503	0.6
122.03634	1.0
123.04428	8.1
124.05220	3.3
125.05984	1.3
127.03926	1.0
127.05428	1.6
127.95639	0.5
131.04898	1.3
133.02840	1.2
133.06450	0.4
133.34933	0.5
134.03656	0.7
135.04384	0.8
137.05988	8.6
138.03146	1.1
142.02611	1.3
143.04865	1.0
144.05698	0.8
145.06494	12.1
147.04425	6.7
147.07964	1.0
149.05919	0.6
151.03873	2.8
151.07521	1.9
152.04721	2.2
153.05464	1.9
155.04852	0.8
155.06021	5.9
159.04405	0.7
160.05162	0.8
161.06010	1.4
163.03925	2.5
163.07552	0.9
165.05428	1.4
167.07045	100.0
168.07399	0.8
171.06534	1.6
172.05205	0.7
173.05997	23.4
174.06552	0.5
175.07527	2.1
177.05463	0.5
179.07059	2.9
181.04961	62.4
182.05328	0.6
183.06602	0.5
188.04790	0.5
189.05499	0.5
190.06216	0.6
191.07037	1.9
193.08641	0.5
194.07249	0.5
201.05469	1.6
203.07039	4.0
205.06697	0.3
205.08595	7.5
207.06424	0.7
213.05424	0.5
217.08670	0.6
219.06490	0.9
221.08000	1.1
222.06770	0.7
231.06587	1.4
233.08051	6.6
234.08821	0.9
235.07513	0.8
235.09642	5.7
249.05452	0.5
250.06287	0.8
263.09259	0.5
264.07587	0.5
265.08618	1.0
267.10120	0.7
279.06384	0.6
283.09729	0.9
293.08203	1.5
295.09457	0.6
297.11227	2.2
299.09332	0.5
307.09998	0.6
310.08337	1.8
325.10825	2.2
326.11526	0.8
327.08597	0.7
327.12164	0.6
329.13974	0.9
342.10849	0.7
353.10226	0.9
357.13287	8.4
385.12836	31.8
386.13297	1.1
387.14401	4.2
397.12839	2.2
399.14243	0.9
403.13977	1.9
415.13776	3.7
416.14749	1.3
417.15472	13.0
450.17648	0.8
451.18030	1.9
515.17560	0.6
565.20868	1.2
577.19958	1.3
595.22345	0.6
613.22827	17.9
614.23291	0.5
775.28119	39.9
776.28552	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.6
57.03429	0.8
61.02918	0.4
63.72725	0.3
65.03947	3.9
67.05477	1.2
69.03433	2.9
69.21553	0.9
69.21957	3.2
70.06566	0.4
77.03934	0.4
78.04711	3.1
79.05471	1.6
81.03409	1.9
81.07053	0.5
82.04185	1.3
85.02915	5.6
91.04970	0.6
91.05486	6.2
93.03394	1.5
95.04951	1.3
97.02878	1.5
97.06498	1.4
98.21500	0.9
99.04462	0.4
103.05468	2.5
105.03379	0.8
106.04195	2.0
107.04974	2.7
108.02083	0.8
109.02858	1.0
109.32526	0.4
110.03671	2.2
111.04411	0.5
115.05457	6.1
117.07024	9.6
119.04959	5.4
119.08574	0.6
122.03651	1.1
123.04446	8.5
124.05198	2.5
125.06007	2.2
127.03879	0.5
127.05432	1.5
129.06987	0.4
131.04944	1.4
132.05717	0.5
133.02841	0.7
133.06506	0.6
135.04434	1.0
136.88559	0.4
137.05017	0.7
137.05986	7.2
138.03159	0.7
142.02606	1.4
143.04932	0.8
144.05804	0.8
145.02829	0.5
145.06502	13.8
147.04424	5.2
147.08061	0.9
148.05223	0.6
149.06009	0.9
151.03970	2.5
151.07541	1.5
152.04681	2.5
153.05508	2.1
155.04903	0.6
155.06046	5.7
155.07170	0.6
156.32541	0.5
159.04366	0.5
160.05220	0.7
161.05989	2.0
163.03894	1.8
163.07538	0.7
164.04500	0.6
165.05486	1.2
167.07053	100.0
168.07394	1.2
171.06564	2.4
172.05193	0.5
173.06000	22.9
174.06746	0.5
175.07578	2.5
176.04736	0.6
177.05505	0.5
179.07083	2.3
181.04968	62.8
188.04742	0.4
189.05516	0.8
191.07108	2.2
193.08640	0.4
194.07384	0.5
200.04718	0.4
201.05476	1.1
203.07034	3.7
205.06735	0.4
205.08601	6.7
207.06430	0.5
207.08272	0.6
207.10121	0.5
211.07654	0.5
217.08548	0.6
219.06534	1.3
221.06108	0.9
221.08153	1.1
222.06664	0.4
231.06609	1.0
233.05870	0.8
233.08084	6.8
234.08849	0.8
235.07530	0.7
235.09668	7.1
237.09196	0.7
239.07152	0.5
247.07578	0.5
250.06277	0.7
261.07480	0.5
264.07736	0.6
265.04520	0.5
265.08658	1.5
267.06531	0.6
267.10080	0.6
277.08633	0.4
277.55527	0.4
282.08905	0.9
283.09750	0.6
293.08072	1.0
295.09674	0.5
297.11237	1.8
299.09335	0.6
309.07739	0.4
310.08438	1.4
325.10840	2.6
326.11508	0.7
329.13898	0.7
337.10837	0.6
342.11072	0.9
353.10272	1.2
355.11871	0.8
357.13361	7.9
367.11789	0.7
370.10223	0.5
385.12842	32.4
386.13565	1.6
387.14392	3.9
397.12912	1.8
399.14340	1.0
403.14124	2.1
415.13965	3.7
416.14590	1.1
417.15417	12.2
450.17715	0.9
451.18066	1.2
565.20111	0.9
577.19220	1.7
595.21448	0.9
613.22797	19.6
614.23077	0.6
775.28052	40.1
776.28369	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	775.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
55.05519	3.1
55.07354	0.4
57.03441	2.4
61.02933	4.3
67.05507	3.9
69.03434	3.9
69.07066	2.7
71.04996	1.9
73.02918	3.7
79.05500	4.8
81.03426	2.9
81.07062	3.7
83.01348	0.7
83.04986	2.1
83.08614	1.2
85.02905	6.3
91.03956	2.3
91.05489	3.4
93.07043	4.9
95.04948	1.1
95.08630	2.0
97.02897	5.9
97.06548	0.8
97.10195	1.5
98.21469	1.2
99.04446	1.4
101.02380	2.2
102.76958	0.5
103.03965	0.7
105.07021	2.5
107.04995	0.8
107.08614	2.4
109.02913	0.8
109.06529	1.0
109.10172	1.6
111.04455	0.6
115.03956	0.7
117.07030	1.2
117.14256	0.5
119.08586	2.0
121.10188	1.1
123.08050	0.9
125.09643	1.0
127.03915	1.1
131.08583	1.5
133.10143	1.7
135.11719	1.4
143.08650	0.9
145.10065	1.2
147.07974	0.6
147.11720	0.9
159.11720	0.8
163.11208	2.1
185.04286	0.8
203.05196	0.6
223.13217	0.7
227.91908	0.5
243.08401	4.2
283.15497	0.7
291.19611	1.7
299.24310	0.6
331.18854	1.3
378.20740	0.5
458.39798	0.5
465.21014	1.6
467.18933	7.6
549.26929	3.8
775.38977	100.0
776.39624	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	775.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24750	0.4
55.01888	0.7
55.05509	2.2
57.03432	2.0
57.07048	0.5
61.02932	4.2
61.60377	0.4
67.05511	4.6
69.03459	2.8
69.07072	2.4
71.01360	0.6
71.05004	1.0
71.52526	0.7
73.02921	2.9
76.97108	0.5
79.05502	6.0
81.03429	3.1
81.07069	5.8
83.04994	1.8
83.08625	1.0
85.02911	5.4
91.03970	3.0
91.05489	5.0
93.07049	4.8
95.04980	1.3
95.08607	2.9
97.02914	3.5
97.06525	0.8
97.10177	0.7
99.04488	0.8
101.02411	1.4
105.07028	3.7
107.04954	0.7
107.08609	2.3
109.02912	0.7
109.06552	0.6
109.10181	1.1
111.08080	0.6
117.07025	1.0
119.08625	2.6
121.06560	0.7
127.03953	1.1
129.07002	1.1
131.08585	1.0
133.10153	2.1
135.11739	0.9
140.04993	0.4
143.08546	0.6
145.10176	1.1
147.08165	0.4
147.11731	1.5
161.13277	0.6
163.11261	0.6
171.11774	1.2
185.04381	0.7
221.18245	0.5
243.08365	2.8
247.13206	1.5
281.17886	0.5
303.16019	0.9
318.77997	0.5
333.20636	2.0
439.19553	1.3
453.21558	0.6
465.21045	8.6
472.62695	0.5
551.28314	5.4
552.51465	0.6
775.42413	100.0
776.42621	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	776.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.3
55.05513	40.1
57.03440	15.8
57.07078	1.6
59.04997	3.1
61.02933	3.6
65.03940	3.9
65.21149	0.6
67.05507	100.0
68.05844	0.7
69.03426	3.5
69.06742	0.7
69.07069	18.0
69.97826	1.3
69.98226	2.2
71.01364	1.3
71.04987	4.2
73.02927	1.3
77.03940	0.8
79.05495	48.1
81.03427	5.5
81.07059	57.2
83.04977	5.4
83.08622	14.5
85.02908	15.7
85.06545	2.6
87.04453	4.6
91.03974	1.4
91.05485	23.9
93.07048	40.3
95.04971	4.8
95.08611	38.2
97.02895	4.4
97.06532	4.2
97.10175	19.2
99.04487	0.9
99.08132	1.6
103.03927	1.0
105.04533	0.9
105.07034	16.6
107.04960	1.9
107.08597	26.9
109.06519	3.0
109.10159	50.5
109.63712	0.7
111.04457	1.3
111.08082	3.3
111.11774	0.9
117.07036	5.4
119.08586	13.1
119.09374	1.0
121.06496	1.4
121.10151	15.3
123.08076	2.0
123.11725	4.8
125.09640	14.1
127.03957	0.8
129.07043	2.3
130.07816	0.9
131.08577	9.0
133.10138	8.8
135.08119	1.0
135.11702	11.4
137.09633	2.7
137.13272	0.9
139.11186	1.5
143.08548	1.0
143.10719	2.9
145.10138	9.1
147.08066	1.5
147.11673	7.0
149.09666	1.8
149.13254	5.2
151.11259	1.2
153.12737	1.4
155.10660	3.6
157.10196	2.0
159.08136	0.7
159.11708	5.8
161.13260	3.5
163.11145	3.7
163.14873	2.5
169.10135	0.8
171.11717	1.3
173.09595	1.1
173.11778	8.8
173.13306	4.0
175.11145	0.9
175.14838	1.2
177.12769	1.0
177.16319	0.7
181.12340	1.0
183.11728	0.7
185.11778	0.7
185.13271	1.0
187.14799	1.4
189.11273	1.1
191.10814	1.2
193.12338	2.3
199.13307	8.0
199.14886	0.7
201.16345	0.8
209.11758	2.5
211.13309	0.9
211.15173	0.8
213.14682	0.9
217.14297	1.1
227.12808	5.0
229.14349	39.4
241.19615	0.9
243.21036	3.8
245.13939	2.1
257.13782	1.2
257.18680	0.7
259.20670	1.0
261.22171	11.2
267.15964	4.1
271.20779	0.6
277.21851	0.9
283.15671	1.2
289.21725	1.3
301.16467	12.9
315.23300	1.0
317.24796	2.5
327.23297	1.2
333.24408	1.2
335.25812	62.0
336.26291	2.0
351.25616	1.0
363.25433	1.4
469.33398	0.7
477.35727	8.7
489.35785	13.6
525.35736	1.3
543.36707	3.5
561.37866	7.0
579.38660	1.9
690.34784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05510	1.9
57.01943	0.5
57.03434	1.5
59.85031	0.4
59.87161	0.4
61.02937	5.0
67.05505	3.5
68.40536	0.4
69.03436	3.4
69.07063	2.3
71.04978	0.8
71.52154	0.6
73.02911	2.7
79.05490	3.0
81.03417	2.8
81.07064	4.0
83.04970	0.7
83.08617	1.1
85.02921	4.9
87.04462	0.4
91.03961	2.4
91.05479	2.9
93.07062	3.4
94.00819	0.4
95.04970	1.8
95.08607	1.4
97.02897	4.4
97.06540	0.5
97.10202	0.6
99.04450	0.5
101.02398	1.5
102.87178	0.5
105.07030	2.2
107.04960	0.8
107.08608	2.0
109.02898	0.8
109.06516	1.0
109.10197	0.9
117.07050	1.1
119.08610	1.3
121.10146	1.1
123.08104	0.5
125.09641	0.6
127.03953	1.7
131.08553	1.0
133.10133	0.9
135.11688	1.1
145.10175	1.3
147.11716	0.9
149.02397	0.6
149.09613	0.6
163.11238	1.2
175.11259	0.4
184.07368	1.1
184.46774	0.4
184.66832	0.4
185.04254	0.9
193.10518	0.5
193.12267	0.6
203.05354	0.6
243.08369	2.6
251.12718	0.4
283.15668	0.9
333.20477	1.2
333.24484	0.6
390.38208	0.5
445.44589	0.4
467.18887	6.5
467.92734	0.4
469.20618	3.1
549.26874	1.1
551.28534	3.6
777.40326	100.0
778.40881	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	777.404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
55.05506	1.5
57.03440	1.7
61.02934	3.9
61.74718	0.7
66.67776	0.7
67.05504	4.8
69.03429	3.1
69.07058	1.1
71.04991	1.8
71.52361	1.5
73.02915	3.3
74.79825	0.6
79.05495	3.9
81.03418	4.3
81.07066	4.9
81.49456	0.6
83.05000	1.3
83.08624	1.6
85.02915	7.4
91.03963	2.3
91.05495	4.9
93.07063	2.4
95.04961	1.7
95.08617	2.6
97.02908	4.4
99.04434	1.1
101.02378	1.2
105.07021	2.7
107.05017	1.4
107.08681	1.6
109.10140	0.9
119.08617	2.8
121.10118	0.9
127.80779	0.9
131.08546	1.6
133.10112	2.2
147.11671	1.5
157.10167	0.9
163.03909	0.7
175.11227	1.1
180.28990	0.8
185.04289	1.1
193.12311	1.4
240.40952	0.8
243.08545	1.7
313.17682	1.2
331.19257	1.6
451.19855	1.0
469.20612	8.3
531.25897	1.0
541.22778	1.4
549.26819	1.7
679.32477	1.4
759.39532	6.2
777.40234	100.0
778.40381	4.6
788.07831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.6
57.03440	0.7
61.02913	0.5
65.03938	0.8
67.05508	1.8
67.46639	0.3
69.03432	2.0
69.07081	0.5
69.46658	2.5
71.04999	3.9
79.05518	0.4
81.03416	1.0
81.07076	1.5
83.04983	3.4
83.08626	3.0
85.02432	0.6
85.02903	5.6
85.06538	1.3
91.03953	0.4
91.05470	1.0
93.07040	1.7
95.04971	88.3
95.08617	1.0
97.02894	1.4
97.06522	1.2
97.10181	0.8
98.21494	0.5
99.04459	22.8
99.08110	0.4
105.07040	0.7
107.08604	2.1
109.02858	0.4
109.06512	1.5
109.10162	2.8
111.08078	2.0
112.14243	0.3
119.08598	1.0
121.10117	1.0
123.08064	0.6
123.11723	0.9
125.09688	0.7
127.03898	0.9
131.08546	1.3
133.10135	5.3
135.08037	0.7
135.11655	0.6
137.09602	0.7
139.11169	0.3
145.04922	0.7
145.10117	0.4
147.11665	1.2
149.13254	1.4
151.11183	4.5
153.09113	29.5
163.03839	0.7
163.14801	0.4
167.14345	5.3
173.13266	4.1
175.14838	0.6
191.14307	3.9
193.15909	1.2
209.15372	100.0
210.15726	1.3
227.14447	0.4
227.16365	1.8
264.94348	0.3
284.39734	0.3
326.61295	0.3
371.20694	4.2
421.05252	0.6
506.21664	0.3
521.83044	0.4
551.86731	0.3
560.81738	0.4
568.82007	0.4
653.99017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11461	0.6
54.45825	0.6
55.01883	0.8
55.05503	0.8
57.03432	1.6
61.02933	5.9
67.05527	3.8
67.80508	0.6
69.03433	3.2
69.07063	0.9
69.70963	0.5
70.71153	1.5
71.01354	0.8
73.02928	4.4
73.76557	0.6
79.05504	4.1
79.86278	0.6
81.03424	2.3
81.07058	5.4
85.02905	5.0
91.03980	3.2
91.05499	2.4
93.07055	4.0
95.04968	1.0
95.08620	3.6
97.02909	4.8
97.06538	0.6
99.04440	1.1
101.02386	1.7
102.79470	0.7
105.07031	1.3
107.08606	1.7
109.02896	1.0
109.06563	0.6
109.10136	1.1
111.04459	0.9
117.07032	0.7
117.62909	0.7
119.08614	1.3
121.10164	1.9
125.92077	0.6
127.03933	1.8
133.10120	1.0
135.11694	1.5
145.10110	1.3
163.11227	1.8
164.33838	0.7
173.13251	0.6
184.07376	1.0
185.04286	0.7
223.13341	0.7
243.08488	2.4
281.13611	5.9
429.77115	0.6
499.21674	5.1
519.29309	6.4
723.54193	0.7
777.43921	100.0
778.43939	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	778.5383
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05028	0.9
58.06366	0.3
58.06640	0.6
60.08167	6.2
67.05508	0.3
69.26927	0.5
69.27351	0.9
69.31997	0.1
70.06609	0.8
71.07372	4.1
75.59041	0.2
79.05511	0.3
81.07063	0.2
84.08137	0.4
86.09708	32.2
88.34664	0.2
91.05484	0.2
93.07031	0.4
95.08627	0.2
98.98468	3.5
104.10757	2.1
105.07033	0.2
107.08599	0.2
116.07092	1.2
125.00011	22.1
130.08614	0.6
143.01144	0.2
149.84392	0.2
184.07346	100.0
185.07767	0.3
205.81596	0.2
509.90750	0.2
547.42401	0.2
627.21521	0.2
725.02136	0.2
778.41840	0.2
778.53906	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	779.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.8
55.05509	1.9
57.03442	1.5
61.02933	3.8
63.83936	0.6
67.05511	3.8
67.97702	0.5
69.03448	2.8
69.07080	1.2
71.52412	0.8
73.02926	3.5
77.09194	0.6
77.81097	0.6
79.05499	4.6
81.03431	5.1
81.07049	4.9
83.04989	0.8
83.08630	1.5
83.67918	0.6
85.02930	4.5
91.03996	2.2
91.05490	3.9
93.07056	3.7
95.05002	2.5
95.08633	1.5
97.02901	3.8
97.06560	1.1
101.02414	1.5
105.07054	2.8
107.08619	2.6
109.02904	1.3
111.08112	0.6
117.07019	0.9
119.08612	1.9
121.10183	1.3
122.71211	0.7
127.03934	0.9
131.08594	1.5
133.10167	2.0
137.58995	0.6
145.10143	1.0
147.11732	1.7
147.17932	0.6
149.09642	0.7
150.76106	0.7
154.38734	0.7
157.10155	0.9
182.53784	0.6
184.07306	0.9
193.12326	1.5
243.08556	2.2
251.12657	1.6
301.09192	0.8
311.77869	0.6
326.74442	0.7
333.20435	1.8
354.23889	0.6
372.67410	0.6
439.19540	1.0
453.21146	1.1
469.20474	11.7
551.28156	4.1
779.41895	100.0
780.42194	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	779.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
55.05505	1.5
57.03427	1.4
59.26305	0.4
61.02928	4.2
62.44147	0.4
67.02988	0.3
67.05502	3.7
69.03439	2.9
69.07070	2.7
70.10085	0.7
70.10477	0.7
71.01351	0.7
71.04977	0.6
71.07378	0.4
73.02914	3.0
77.37547	0.4
79.05495	3.6
81.03429	4.1
81.07057	4.1
83.04995	1.2
83.08633	1.5
85.02909	5.7
86.09718	0.9
87.04478	0.5
91.03967	3.1
91.05489	3.7
91.78160	0.4
93.07053	2.5
95.04994	1.8
95.08621	1.4
97.02897	4.6
97.06539	0.5
99.04466	0.8
101.02390	1.5
103.03956	0.5
105.07041	2.6
107.04964	0.6
107.08589	1.6
109.02888	0.8
109.06478	0.5
109.10149	0.8
109.80504	0.4
111.08096	0.9
115.03961	0.5
115.05473	0.4
117.07005	0.7
119.08616	1.8
121.10181	1.4
123.08054	0.4
125.00033	0.5
125.09662	0.5
127.03929	1.4
127.31080	0.4
129.07057	1.2
131.08577	1.0
133.10147	1.5
135.11726	0.5
145.05020	0.5
145.10146	1.1
147.11708	1.6
149.09622	0.6
157.10155	1.0
163.03979	0.5
175.11246	1.0
184.07314	2.2
185.04283	0.8
193.12328	1.5
203.05257	0.5
211.13380	0.9
243.08379	3.1
251.12650	1.1
259.08096	0.4
291.15796	0.5
301.09305	0.7
307.15155	0.9
333.20377	2.4
417.05151	0.4
453.21246	0.8
469.20477	10.4
551.28271	4.9
686.17175	0.5
772.61310	0.4
779.41864	100.0
780.42145	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	779.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.05505	1.0
57.03442	1.8
59.05008	0.4
61.02930	4.7
61.84881	0.2
67.05502	4.7
69.03436	2.6
69.07066	1.2
70.67895	0.4
70.68230	0.6
71.01374	0.3
71.05000	1.2
73.02924	4.0
74.62807	0.3
79.05500	3.4
81.03430	2.8
81.07056	3.8
83.04978	0.6
83.08607	0.8
83.88615	0.3
85.02912	4.6
87.04477	0.7
91.03961	2.9
91.05475	2.4
93.07049	3.0
95.04967	0.8
95.08607	3.5
97.02898	4.6
99.04476	0.6
101.02394	1.9
103.03948	0.5
105.06994	1.2
107.08585	1.8
109.02894	0.9
109.06579	0.4
109.10163	0.9
111.08057	0.3
115.03973	0.3
119.08556	1.2
121.10139	1.8
123.07963	0.3
123.11717	0.4
127.03930	1.4
129.07039	0.6
131.08601	0.9
133.10146	1.1
135.11746	0.6
145.05000	0.5
145.10124	0.6
147.11728	0.8
149.09654	0.7
149.13252	0.3
157.10146	0.5
175.11191	0.4
185.04330	0.7
193.12306	0.7
203.05276	0.4
233.11723	0.3
239.17775	0.2
243.08438	2.4
267.15961	0.5
283.15204	4.6
288.77582	0.3
331.48621	0.3
335.26007	0.7
339.17941	0.8
363.93658	0.3
501.23108	7.0
518.34406	0.3
519.29315	8.6
528.96735	0.3
617.40155	0.7
779.45508	100.0
780.45923	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	780.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.9
56.93342	0.2
58.06630	0.7
60.08165	5.7
67.05505	0.3
71.07377	3.2
81.07057	0.6
81.12737	0.1
82.21082	0.2
86.09708	29.6
87.10022	0.2
91.05454	0.2
93.07043	0.3
95.08598	0.3
97.76215	0.1
98.20708	0.2
98.98472	3.0
104.10741	2.4
109.10151	0.2
123.11726	0.1
125.00012	19.8
184.07346	100.0
185.07652	0.6
185.48389	0.1
214.16803	0.1
229.08252	0.2
463.20026	0.2
780.55365	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	781.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29507	1.1
61.73862	1.1
64.56155	1.1
65.03967	1.2
65.24692	1.0
67.05512	5.3
69.03428	2.4
69.38857	3.0
69.39285	6.4
79.05488	4.2
81.03432	1.8
81.07056	2.9
85.02899	5.9
91.05490	12.6
92.47239	1.4
93.07048	4.6
95.04986	4.7
97.02937	2.5
97.99490	1.3
103.05470	2.8
109.02889	2.8
109.06512	3.0
119.04951	30.7
119.08372	1.1
121.06526	12.1
123.04446	2.4
127.03886	1.9
137.05992	13.3
141.05455	2.0
145.04985	4.3
147.04431	30.3
149.05984	7.6
163.03964	1.4
165.05490	26.3
167.07042	4.7
175.03918	5.1
183.06543	21.1
193.04993	16.9
211.06036	52.8
212.06369	1.9
229.07086	100.0
280.65076	1.1
304.12280	1.2
320.29980	1.3
355.10153	3.0
356.10538	1.1
373.11380	1.7
544.93219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	1.3
57.03412	1.7
61.02928	4.9
61.50946	0.5
67.05504	6.8
69.03132	0.5
69.03432	4.6
69.07036	1.0
70.70566	1.4
71.04974	1.0
73.02923	3.5
79.05474	2.5
81.03406	1.3
81.07049	3.9
83.08615	1.0
85.02528	0.5
85.02911	5.5
85.03397	0.8
86.09698	0.8
87.04450	0.8
91.03954	4.2
91.05475	0.8
93.07046	3.5
95.04968	0.6
95.08622	4.1
97.02893	4.7
99.04449	0.9
99.53548	0.5
101.02370	2.0
103.03938	0.7
105.07004	1.2
107.08585	2.3
109.02843	0.9
109.10162	4.4
112.71211	0.5
115.03899	0.6
119.08543	0.9
121.10119	1.1
127.03895	2.1
131.08562	0.7
135.11697	0.7
136.20393	0.5
140.86084	0.6
147.11697	0.8
155.10603	0.7
173.11748	1.1
184.07307	1.3
185.04218	1.0
195.09937	1.1
232.54192	0.5
234.61847	0.5
235.42435	0.6
243.08440	1.6
384.64981	0.5
413.17834	8.2
436.90778	0.6
485.20724	0.6
519.29315	7.9
556.37024	0.7
591.84583	0.6
686.92035	0.6
691.40259	100.0
692.40735	3.6
763.41968	1.2
781.41882	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
55.05495	1.6
57.03424	1.5
57.84537	0.5
60.71517	0.5
61.02926	3.0
64.88767	0.5
67.05516	3.3
69.03436	8.6
69.07072	3.2
71.04980	1.7
71.52235	0.6
73.02914	1.0
76.11624	0.5
79.05499	3.1
81.03410	3.4
81.07061	6.2
83.04984	1.2
83.08615	1.7
85.02911	29.1
87.04459	1.1
91.03951	1.1
91.05477	3.9
93.07054	6.0
95.04972	0.8
95.08610	8.5
97.02306	0.7
97.02899	10.0
97.06535	1.6
97.10189	0.9
99.04432	2.0
103.05470	0.9
105.07043	13.3
107.08604	10.9
109.02867	3.5
109.06506	1.7
109.10157	5.9
111.04446	1.0
111.08053	0.5
115.05405	0.7
117.07022	1.2
119.08588	14.2
121.06487	0.7
121.10152	5.8
123.08057	0.7
123.11722	2.3
125.05969	0.5
127.03913	5.8
128.06221	0.7
129.07018	1.9
130.07713	0.6
131.04883	0.4
131.08566	5.3
133.06493	0.6
133.10139	11.1
135.08041	1.0
135.11697	6.9
137.06027	2.6
137.09592	0.6
139.11177	0.5
142.07819	0.9
143.08565	4.5
145.04982	6.5
145.10139	5.6
147.04424	0.8
147.08066	1.4
147.11699	9.7
149.09648	1.0
149.13217	2.5
151.11183	3.5
155.08563	1.4
156.09364	3.2
157.10149	2.7
158.10979	0.7
159.08078	1.4
159.11700	2.7
161.09639	1.6
161.13254	3.9
163.03925	2.1
163.06140	0.9
163.07613	0.5
163.11176	1.3
163.14804	1.3
165.09116	0.8
165.12732	0.7
167.07089	0.5
168.09511	0.5
169.10115	1.3
171.08038	1.2
171.11703	9.2
173.09634	1.9
173.13303	3.3
175.07564	0.6
175.11172	2.7
175.14810	1.5
177.12775	1.4
179.10695	0.9
181.10068	1.2
183.11711	2.6
184.07385	0.7
185.09618	0.8
185.13297	2.5
187.11139	0.8
187.14830	2.2
189.05602	0.7
189.09102	0.6
189.12813	5.1
189.16396	33.6
191.10585	0.5
191.14291	4.9
191.17982	5.2
195.11714	1.8
196.12502	0.6
197.13240	1.8
198.10405	1.0
199.11205	4.5
199.14868	2.0
201.09171	0.5
201.12787	2.8
201.16487	1.3
202.09860	1.9
203.14278	2.3
203.17946	1.2
205.15863	0.9
205.19510	1.3
207.11818	0.6
207.13820	0.8
207.17430	8.4
209.13298	1.0
211.11194	0.7
211.14684	0.8
213.12756	14.4
213.16298	1.3
215.14334	4.1
217.12250	100.0
218.12617	1.2
219.11806	0.6
221.13304	0.7
223.14932	0.6
225.16295	0.8
227.14366	2.4
229.15924	0.8
231.13821	6.3
232.14186	0.6
233.15417	4.3
234.14143	0.8
235.13170	2.4
243.17448	1.2
245.15359	1.2
249.14760	5.2
251.14566	0.6
257.19077	1.0
259.16992	0.6
265.19489	0.5
267.17505	1.9
269.19070	0.7
281.19052	1.4
287.20020	1.0
299.20062	1.6
351.21741	0.5
369.22678	2.4
385.28793	1.4
393.31485	1.0
403.29944	9.0
411.32819	0.6
421.30960	19.9
439.32053	18.0
443.06873	0.5
457.32962	2.0
485.09393	0.6
583.36255	1.7
601.37347	11.5
619.38458	16.6
620.38904	0.6
677.09265	0.6
745.41541	4.0
763.42700	9.4
781.43738	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	782.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
55.05516	13.8
56.82911	1.5
57.03436	7.1
59.53635	1.7
61.02931	3.5
65.03941	3.3
67.05511	41.1
69.03436	2.6
69.07071	11.2
69.50254	3.2
69.50653	7.7
70.45223	1.5
71.04969	3.0
73.02924	2.5
74.13281	1.5
78.63306	1.4
79.05501	56.4
81.03429	7.7
81.07059	38.4
83.04989	10.6
83.08617	7.4
85.02884	2.0
85.06553	4.6
86.09692	2.9
91.03960	1.9
91.05489	58.7
93.07051	57.8
95.04981	12.1
95.08065	2.3
95.08614	27.5
97.02892	1.8
97.06532	3.8
97.10166	3.2
99.08068	2.0
105.07037	50.4
107.04975	2.5
107.08596	20.5
109.06532	5.0
109.10156	7.7
111.08091	2.9
115.05414	1.9
117.07027	12.7
119.08591	43.8
121.06494	2.2
121.10163	16.8
123.08070	5.7
123.11716	1.5
125.00073	2.2
128.06232	2.0
129.07005	14.4
131.08556	14.5
133.06497	2.3
133.10147	22.0
135.11693	12.1
137.09682	2.5
143.08540	9.8
145.10144	17.8
147.08046	2.0
147.11696	47.9
149.13287	5.7
155.08459	1.8
157.10152	4.5
159.11725	15.9
159.70496	1.8
161.09645	4.0
161.13283	31.3
163.11249	2.1
163.14836	3.4
169.10095	2.9
171.11699	25.0
173.13245	9.2
175.14799	10.5
177.12755	2.5
184.07364	11.7
185.13309	7.0
187.14880	2.6
189.12727	11.9
199.14804	4.6
207.13814	24.8
207.87059	1.9
213.16367	3.3
231.21088	5.3
241.19542	30.4
243.21111	2.3
246.93410	1.8
257.19019	5.6
259.20587	77.1
261.22363	3.1
279.15933	21.7
281.17490	96.2
282.17853	2.7
297.16788	2.7
315.23175	7.5
331.22772	3.0
333.24274	55.5
351.96338	1.9
394.34549	1.8
418.62381	1.5
429.31631	2.0
447.32523	9.6
465.33658	5.8
483.34717	6.1
521.36176	5.0
539.37372	100.0
540.37860	2.7
557.38489	36.5
691.39642	2.4
692.40607	22.5
782.42236	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11709	0.2
61.09027	0.3
65.03940	0.3
66.04722	0.5
67.05512	0.5
71.51987	0.5
72.37585	0.3
75.04475	0.5
79.05507	1.1
81.03404	0.5
81.07056	0.7
85.02912	0.5
91.05482	2.5
93.07077	0.7
94.04198	2.5
95.04982	0.8
95.08614	0.4
103.05480	1.1
105.07032	3.1
107.04972	1.3
108.05731	0.3
109.06528	0.9
115.05490	1.0
117.07011	0.7
119.04945	0.5
119.08599	0.6
121.06500	1.9
122.03658	6.7
122.04504	0.5
122.07311	0.3
123.04436	0.4
123.08134	0.4
128.06262	0.9
129.07014	0.9
131.04935	2.2
131.08543	0.5
133.06505	6.6
133.10133	1.1
135.04376	0.4
135.08054	1.0
136.05217	2.0
137.05986	100.0
138.06621	0.7
143.04927	0.4
143.08582	1.5
145.06480	2.0
146.07301	0.7
147.04454	0.6
147.08057	2.7
148.05200	5.0
149.05957	0.8
150.06781	0.6
151.03915	0.8
151.07558	9.9
157.06526	1.4
159.08060	0.8
160.05275	0.6
161.05995	3.0
162.06772	0.7
163.03951	0.3
163.07544	4.0
165.05490	0.8
165.09113	3.1
166.06276	7.1
166.07701	0.4
167.07048	1.1
168.07828	0.4
171.08083	1.8
172.08740	0.3
173.06039	0.6
173.09663	0.7
174.06799	1.6
175.07565	2.8
176.08337	2.2
177.05692	0.4
177.09119	5.6
179.07034	0.8
180.07823	0.8
181.08604	50.9
182.08937	0.7
187.07555	1.0
188.08321	1.8
189.09137	4.5
190.09875	1.0
191.07001	0.5
192.07791	0.5
193.08661	2.7
195.10167	1.4
201.09149	0.8
202.09891	1.2
203.10684	5.4
205.08591	0.8
206.09412	1.2
207.10182	5.7
216.11391	1.5
219.10176	0.9
221.11795	1.6
233.11661	2.5
235.13385	0.6
247.13364	2.5
248.35706	0.3
251.12761	0.4
265.14368	1.5
272.46133	0.3
277.25690	0.3
307.13321	0.3
308.14023	0.5
309.14783	0.7
325.14310	0.4
339.15833	3.0
340.16696	2.0
341.13907	0.3
341.17477	1.7
342.54266	0.3
356.16183	6.5
371.18561	30.4
372.18600	0.8
378.87778	0.3
389.19614	17.9
390.19839	0.7
536.20557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	20.0
55.05518	28.3
57.03452	10.6
57.07086	3.8
59.05014	2.3
65.03941	4.2
65.93745	2.0
67.05509	72.8
68.05827	4.1
69.03426	5.6
69.06733	2.6
69.07080	34.6
71.04984	7.3
71.52628	2.6
71.53020	2.6
79.05497	60.1
81.03419	8.1
81.07066	79.9
83.05000	11.5
83.08621	11.9
84.18737	2.0
85.02915	4.8
85.06533	4.8
89.97121	2.3
91.03989	1.9
91.05489	79.7
93.07052	60.3
93.07640	3.6
94.07356	2.9
95.01328	7.3
95.04948	11.9
95.08617	48.8
97.02895	3.7
97.06535	31.3
97.10177	4.0
99.08083	5.0
103.05479	2.9
105.04534	4.5
105.07041	100.0
107.04948	19.0
107.08597	34.9
109.06525	8.0
109.10159	28.0
110.10483	3.2
111.08063	4.9
111.90638	1.9
115.05440	3.5
117.07026	24.9
119.08597	52.8
121.06524	6.8
121.10149	15.5
123.08089	5.1
123.11726	4.7
125.09648	3.1
128.06229	3.1
129.05502	3.2
129.07039	10.3
130.07872	2.2
131.08574	37.2
133.06540	2.6
133.09142	2.6
133.10144	50.0
135.08069	4.0
135.11725	17.5
137.09669	4.6
141.07004	4.2
143.08592	9.5
145.06564	2.3
145.10139	27.8
147.08028	3.3
147.11707	30.5
149.09633	7.5
149.13284	7.3
151.11218	2.3
155.08589	4.5
157.10184	8.1
159.08073	2.5
159.11684	20.7
160.60329	2.4
161.09673	4.3
161.13268	15.1
163.11221	3.7
163.14888	3.9
165.09053	2.6
169.10100	4.7
171.11656	10.4
173.11909	2.7
173.13274	9.4
175.10938	2.1
175.14824	7.6
177.12781	5.5
179.14247	11.4
183.11676	5.0
185.13293	6.9
187.11215	4.0
195.11829	2.3
199.14761	2.1
209.13393	2.3
213.16389	3.0
215.18007	2.7
219.17480	2.6
229.14328	10.5
230.14728	6.1
231.21074	4.8
239.18126	2.0
241.19530	16.9
257.19046	8.4
259.20596	25.6
261.22220	3.1
273.18640	6.6
275.20081	58.5
291.19601	3.4
293.21158	4.6
297.17050	4.7
298.17148	3.8
301.31720	2.0
315.23135	10.1
323.23706	2.1
333.24316	42.7
335.25821	19.2
336.26260	10.0
347.22113	4.2
349.23767	30.7
384.05478	2.0
402.93872	2.0
490.36047	6.3
513.35956	3.0
514.36804	2.4
558.38690	4.2
607.43555	65.0
625.44781	20.1
749.15570	2.2
787.47064	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	787.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89114	3.5
55.01863	12.4
55.05509	27.7
57.03429	13.8
57.07069	4.3
61.02933	12.6
65.03941	11.2
67.05511	75.8
69.03420	15.5
69.07071	39.1
71.04984	7.7
73.02923	6.7
76.00583	3.9
79.05501	60.4
81.03420	20.5
81.07062	79.3
83.04977	8.6
83.08614	23.9
85.02899	11.3
85.06554	5.4
91.05485	51.4
93.07048	63.3
95.04962	11.1
95.08604	50.8
97.02890	14.4
97.06538	16.1
97.10159	13.4
99.04467	4.9
99.08084	5.5
105.07035	53.8
107.04939	7.4
107.08607	37.7
109.02863	4.9
109.06513	10.1
109.10166	29.7
111.08107	5.3
117.07009	28.4
119.08585	48.7
121.06541	4.2
121.10162	17.0
123.08077	6.0
123.11716	11.7
125.09570	8.1
127.03934	5.8
128.06186	5.4
129.05511	4.7
129.07025	19.5
131.08591	34.8
133.06496	5.6
133.10120	37.0
135.08032	6.4
135.11716	11.8
141.06987	6.0
142.07820	6.4
143.08585	25.5
144.09282	4.1
145.06496	4.2
145.10129	33.7
147.11697	24.3
149.02353	67.5
149.03510	5.6
149.09636	10.1
149.13229	8.0
150.02664	10.0
151.02744	3.8
155.08548	15.3
157.10144	22.9
159.11713	24.1
161.09758	4.1
161.13298	10.2
165.12717	4.4
167.08562	9.8
169.10117	18.1
171.11697	16.4
173.04475	9.5
173.13237	12.9
175.11171	4.2
175.14926	5.1
179.08569	4.9
181.10193	7.7
183.11752	23.0
185.09717	3.5
185.13290	15.4
187.11020	5.5
187.13290	4.1
187.14793	10.5
193.04980	50.6
193.10190	4.7
193.11949	3.7
194.05380	19.0
194.06900	3.4
195.11726	10.2
197.13255	10.4
199.14780	5.2
205.15913	3.7
209.13382	7.3
211.11263	4.5
211.14806	11.1
213.16447	5.1
223.14853	6.2
227.12798	6.2
227.17999	4.6
229.14429	6.9
237.16565	6.1
259.20572	10.6
267.15765	4.7
275.20059	10.9
333.24213	7.1
335.25858	11.4
349.23944	4.2
419.59772	3.8
421.30823	5.1
447.31998	4.5
491.52325	4.1
513.35846	30.0
515.37866	7.5
527.37402	10.9
533.39777	8.5
545.38153	5.6
551.40521	5.5
607.43695	58.7
625.44635	100.0
769.49054	5.8
770.18011	26.0
787.49786	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	787.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.0
55.05516	37.9
57.03441	10.7
57.07068	3.0
61.02935	7.2
65.03939	4.9
67.05508	60.5
69.03419	3.7
69.07076	19.7
71.04999	3.4
71.12849	3.0
73.02920	2.6
77.03912	2.4
79.05496	54.6
81.03418	3.2
81.07059	68.8
83.04971	4.4
83.08624	13.6
85.02908	7.1
85.06567	2.4
89.83119	1.3
91.03959	2.3
91.05485	83.2
93.07048	55.3
95.04954	7.0
95.08612	51.4
97.02892	4.3
97.06546	6.1
97.10181	7.5
99.08099	2.3
103.05457	3.2
105.04517	2.7
105.07037	65.1
107.04947	5.7
107.08601	24.1
109.06509	9.2
109.10165	14.5
111.08071	4.3
115.05470	9.0
116.06237	6.4
117.07021	42.6
119.04944	1.7
119.08582	33.9
121.06506	5.9
121.10138	18.9
123.08082	9.6
123.11684	3.4
125.09650	5.1
127.03907	1.6
128.06226	28.5
129.07016	30.7
130.07797	11.2
131.08572	87.5
132.08919	1.5
133.06514	8.0
133.10130	21.6
135.08047	5.3
135.11716	10.9
137.09613	3.0
139.11237	1.8
141.06992	11.9
141.09044	1.5
142.07782	6.8
143.08569	100.0
144.09236	2.1
145.06493	4.5
145.10129	96.1
147.08084	12.7
147.11636	9.8
149.09616	3.7
149.13283	5.7
151.07523	2.0
151.11153	1.8
153.06987	2.5
154.07823	3.8
155.05946	1.6
155.08563	12.5
157.06520	1.3
157.10136	21.7
159.08101	7.1
159.11703	20.5
161.09641	11.3
161.13295	2.3
163.07507	1.4
163.11176	4.6
165.06992	5.0
166.07800	2.8
167.08566	5.8
169.10132	19.6
170.10747	1.3
171.08046	2.7
171.11696	18.0
172.12328	1.5
173.09633	5.5
173.13268	6.1
175.11191	6.0
175.14787	1.6
177.12747	5.6
180.09326	3.8
181.10100	14.3
183.11691	12.1
184.07378	1.4
185.09685	1.6
185.13254	8.8
187.11180	2.4
187.14868	1.6
195.11694	24.5
197.13260	2.6
199.11226	4.1
199.14705	1.7
201.12770	3.9
208.12457	1.8
209.13264	2.4
211.14833	3.1
213.12740	4.0
213.16164	1.8
215.12605	1.5
225.16286	1.6
227.14508	1.8
227.17972	6.9
237.16411	25.9
241.14410	2.1
245.18990	4.8
255.17393	25.9
259.20676	1.4
261.22229	5.7
273.18509	82.2
275.20267	2.4
291.19604	2.9
329.21152	9.1
335.25824	93.0
347.22180	48.2
423.37308	1.3
497.30832	1.4
519.37012	1.5
561.36176	2.3
589.42371	2.2
607.43579	67.2
608.43652	1.8
625.44330	5.3
653.27759	1.5
787.48358	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.5
55.05516	22.7
57.03440	10.1
57.07067	2.5
57.72764	0.8
61.02931	4.9
62.06057	0.7
65.03939	2.9
67.05511	49.5
69.03429	2.0
69.07070	14.8
71.04986	2.7
71.12925	2.1
73.02916	1.9
73.65501	0.8
77.03941	1.1
79.05498	38.7
79.05968	1.8
81.03419	2.3
81.07060	50.4
83.04972	2.5
83.08617	8.6
85.02897	4.2
85.06535	1.9
87.04441	0.9
91.05488	49.5
93.07052	40.5
95.04987	4.8
95.08613	36.3
97.02895	2.8
97.06540	4.0
97.10186	5.6
99.08090	1.0
103.05481	2.7
105.04525	1.0
105.07039	37.6
107.04961	2.8
107.07887	1.4
107.08602	19.2
109.06512	4.7
109.10168	11.4
111.08102	2.9
115.05481	4.0
116.06226	3.0
117.07028	24.1
119.04951	1.0
119.08588	20.4
121.05657	0.9
121.06488	4.0
121.10141	13.9
123.08073	4.4
123.11716	3.4
125.09662	1.9
127.03952	1.1
128.06224	14.5
129.07019	17.7
130.07767	5.9
131.08580	47.3
133.06490	4.9
133.10130	14.8
135.08054	3.0
135.11684	7.7
137.09592	1.1
139.11131	1.3
141.06993	7.0
141.09135	1.1
142.07817	4.3
143.08563	53.4
144.09315	1.9
145.06448	1.9
145.10129	51.7
147.08075	6.5
147.11691	6.7
148.26855	0.8
149.09619	3.3
149.13275	4.9
151.07600	1.1
151.11134	1.2
154.07744	1.5
155.05986	1.7
155.08583	4.9
157.10138	15.1
159.08087	3.2
159.11688	15.2
161.09644	6.9
161.13271	2.7
163.11188	2.6
165.06987	1.9
167.08580	2.8
169.10143	10.4
171.11674	10.2
173.09647	2.1
173.13254	3.9
175.11130	4.3
177.12758	1.9
180.09293	0.9
181.10124	8.6
182.10904	1.2
183.11702	6.9
184.07323	1.2
185.09654	1.9
185.13219	5.8
187.11147	1.1
187.14804	1.6
189.12773	1.0
193.10193	0.8
195.11716	13.6
197.13237	2.3
197.66872	0.9
199.11172	1.4
199.14830	1.8
201.12785	2.3
209.13266	1.7
211.14795	1.3
213.12779	2.7
227.18066	4.3
227.19960	1.0
231.13879	1.0
237.16388	15.4
241.80130	0.9
243.21091	1.3
245.18993	3.5
255.17438	15.9
257.19229	0.9
259.20535	1.0
261.22107	4.9
271.16849	1.2
273.18509	40.8
291.19550	1.9
317.24649	1.5
329.21182	7.4
333.24219	1.2
335.25824	100.0
335.90540	0.9
336.26257	2.3
347.22189	22.2
365.23224	1.2
372.02121	0.9
475.34683	1.0
515.38586	1.0
607.43579	41.4
608.43787	2.1
625.44562	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	788.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.6
55.05516	5.3
67.05499	12.3
69.07062	5.3
69.92910	11.8
71.04988	2.8
79.05479	11.5
80.81727	2.4
81.03394	9.7
81.07054	9.4
83.08611	3.3
85.02903	2.9
91.05502	15.4
93.07053	9.0
95.04980	5.8
95.08583	4.7
104.58495	2.6
105.07034	7.6
107.04977	7.1
107.08583	4.0
109.01461	2.5
109.10155	6.8
117.07004	5.6
117.98130	2.9
119.08577	4.0
121.06508	5.4
121.10120	5.1
131.04965	4.5
131.08623	2.8
135.04465	3.1
135.07986	3.1
136.46341	2.8
137.05965	11.0
145.06500	3.6
145.10156	3.4
146.07253	8.9
147.08063	4.3
149.09595	3.4
151.07550	71.0
160.05281	4.7
162.06744	3.2
163.04034	2.9
163.07507	3.3
165.09135	6.2
175.07619	2.9
175.11226	3.6
176.03061	2.5
177.09119	35.8
188.08412	3.0
189.09166	7.7
189.91434	2.9
191.10728	4.1
203.10680	7.3
207.08011	4.7
211.07576	9.0
225.09036	7.8
228.07613	3.2
229.14296	3.1
239.07011	19.1
241.08620	3.8
253.08665	25.9
255.10214	5.6
256.07321	3.1
267.15933	5.8
271.09659	47.1
283.15237	4.0
285.11194	35.6
291.19266	2.8
304.64822	3.0
309.11725	3.1
311.09048	2.9
313.10684	5.2
461.28922	4.3
475.18021	2.8
489.19025	14.4
507.20178	71.9
541.35107	3.8
620.06818	2.7
665.27905	4.0
693.26654	3.8
707.27881	6.8
711.27802	12.5
725.29645	100.0
743.30615	72.9
744.30780	4.1
788.22809	5.2
788.36395	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	18.9
55.05510	38.4
57.03438	24.0
59.04998	3.3
61.02917	4.8
65.03932	6.9
67.05505	72.1
69.03426	23.4
69.07070	52.9
70.90192	3.5
71.01351	4.7
71.04995	25.3
73.02908	6.2
74.09683	2.8
79.05495	78.2
81.03423	39.2
81.07058	71.4
83.01331	6.7
83.04987	25.8
83.08614	24.6
85.02908	20.8
85.06548	5.3
91.03944	2.2
91.05486	70.0
93.07047	76.2
94.66469	2.0
95.04967	28.7
95.08057	3.1
95.08611	33.6
97.02905	15.9
97.06532	100.0
97.10143	3.6
99.04433	7.7
99.08080	7.8
103.05482	1.9
105.04488	2.5
105.07031	41.9
107.04962	21.1
107.07893	2.5
107.08600	41.6
109.02859	6.0
109.06528	25.5
109.10161	16.9
111.04442	5.5
111.08092	12.8
113.06006	5.6
115.05462	5.0
115.07579	24.7
117.07013	27.6
119.05002	2.3
119.08580	32.4
121.06487	12.6
121.10131	22.9
123.04456	2.8
123.08076	18.0
123.11694	4.7
125.09634	5.5
127.03892	9.5
127.07593	2.4
128.06230	5.5
129.05492	4.4
129.07019	13.9
131.08560	23.0
133.06497	6.4
133.10138	26.0
135.08051	14.8
135.11684	19.6
137.09636	6.0
139.07509	3.2
141.06995	2.8
142.07779	3.4
143.08571	9.6
145.04962	2.9
145.06480	4.0
145.10101	26.2
147.08069	9.4
147.11729	9.2
149.09610	11.0
149.13239	8.3
151.11195	7.6
155.08545	6.3
157.10167	11.3
159.08012	3.9
159.11713	10.9
161.09612	7.9
163.11172	29.1
169.10065	2.7
169.12262	2.0
171.11572	3.8
173.04520	9.5
173.09590	6.3
173.13202	3.5
175.11148	5.6
175.14639	2.2
177.12801	3.3
181.12196	2.0
183.11690	2.7
185.13313	3.7
187.14844	2.3
189.11206	3.0
191.10701	5.2
193.12260	6.4
195.13762	4.1
199.14821	2.4
209.11748	7.2
211.13356	5.6
217.15866	8.1
221.15390	4.5
227.12724	8.9
227.17964	3.8
233.15405	3.0
245.19084	5.4
253.14259	11.7
255.17647	3.0
267.15979	3.8
269.17468	17.2
271.17014	2.4
273.18512	32.3
283.15414	82.3
285.16940	5.2
289.17963	9.1
291.19580	16.7
303.19589	2.5
307.19040	10.2
319.22842	1.9
339.18066	3.4
347.22131	14.7
363.21625	3.2
365.23157	13.8
437.26373	2.2
463.26797	6.0
477.22168	3.8
477.28589	42.8
477.35538	5.2
479.26239	3.0
505.27496	4.0
515.29974	6.7
533.30731	2.2
555.33282	14.3
558.34277	2.3
573.34412	22.9
591.35400	12.1
735.38324	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	790.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	11.8
55.04403	1.2
55.05273	2.1
55.05515	29.9
57.03441	29.2
57.07074	2.3
59.05003	2.0
61.02932	8.4
64.87821	1.4
65.03936	5.7
65.14677	1.3
67.05506	79.3
69.03430	20.4
69.07070	55.3
70.10786	5.5
71.01350	2.2
71.05000	25.7
73.02917	8.0
74.63602	1.3
77.03917	2.3
78.01116	1.3
79.05497	83.6
81.03421	79.3
81.07060	84.6
82.03749	1.4
83.04985	28.4
83.08153	2.3
83.08622	34.3
85.02905	33.9
85.06557	5.9
91.03941	3.3
91.05482	83.2
93.07050	75.1
95.04380	2.4
95.04971	39.3
95.07997	1.7
95.08612	38.8
97.02901	16.8
97.06532	100.0
97.10149	7.1
99.04465	3.5
99.08096	8.8
103.05444	3.6
105.04545	2.8
105.07032	53.3
107.04290	2.2
107.04961	24.0
107.08599	36.3
109.02866	5.9
109.05814	2.2
109.06522	27.0
109.10162	13.6
111.04439	6.0
111.08077	19.7
113.06055	6.2
113.06697	1.2
113.09691	1.2
115.05431	5.3
115.07574	29.4
116.06323	1.4
117.07028	22.4
119.04939	2.3
119.08585	40.2
121.06506	11.2
121.10155	22.7
123.04359	2.1
123.08081	10.8
123.11703	4.7
125.05975	1.6
125.09620	5.2
127.03907	9.6
127.07560	5.0
128.06210	5.7
128.07025	1.3
129.05478	3.3
129.06995	21.2
131.04951	1.6
131.08577	38.5
133.06491	7.7
133.09122	2.1
133.10129	32.6
135.08061	14.3
135.11693	9.8
137.05994	3.0
137.09615	5.4
139.07553	1.9
141.06970	1.9
142.07765	4.3
143.08545	10.2
145.04945	2.6
145.06465	3.7
145.10130	17.8
147.08049	13.3
147.11688	23.7
149.09627	16.0
149.13272	10.7
151.07481	2.2
151.11163	4.8
153.09047	1.6
155.08554	3.7
156.09251	2.0
157.10132	24.2
159.08051	3.6
159.11694	11.3
161.09599	7.4
161.13258	4.1
163.03868	2.3
163.07437	1.3
163.11203	9.7
165.09129	2.2
165.12750	4.8
167.08621	1.5
169.10089	4.1
171.11693	4.3
173.04503	7.0
173.05789	1.5
173.09650	3.4
173.13249	3.5
175.11191	20.4
177.12737	7.7
179.10590	1.9
181.10130	2.9
181.12083	1.9
183.11644	2.0
185.13231	5.3
187.07593	1.4
187.11229	2.6
189.11256	2.4
189.12779	3.0
189.16382	1.9
191.10556	2.7
193.10472	2.9
193.12250	45.3
195.11928	1.1
195.13817	5.3
199.11131	1.3
199.14803	3.5
201.07594	2.8
201.12756	3.3
203.14259	2.2
205.12125	2.5
209.11588	2.0
209.13332	1.9
211.13290	63.4
211.15269	3.0
211.58961	1.4
217.15852	12.8
217.19455	1.3
219.13808	2.6
221.15320	2.6
227.12808	4.6
227.17871	1.9
229.14275	2.5
233.15378	4.4
237.16434	1.6
245.19020	5.2
251.16510	2.1
253.14333	2.9
255.17578	3.5
257.15173	1.4
261.18433	1.5
267.15912	27.2
269.17496	28.0
271.16693	1.5
273.18491	36.0
275.20007	4.2
283.15356	8.2
285.16971	56.6
291.19553	21.2
303.16144	1.6
307.19022	4.6
309.20703	1.5
315.19427	1.8
323.18585	1.6
329.21094	2.0
341.19629	1.8
347.22162	14.3
349.23871	2.2
365.23285	14.9
367.24850	1.9
383.24197	2.9
387.25293	1.7
425.26755	1.6
437.25131	1.6
447.28040	2.7
459.74002	1.4
461.29037	15.6
465.28815	7.1
477.28693	7.7
479.23581	2.2
479.30078	33.3
481.28207	1.6
483.31076	2.1
485.28387	2.0
487.30728	2.0
499.30356	4.8
505.31473	2.2
507.29733	2.8
517.31451	5.1
539.33429	5.6
557.26959	2.1
557.34760	20.5
575.35681	19.1
593.37091	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	790.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	17.8
55.05273	2.7
55.05515	39.2
57.03440	21.3
57.07072	2.6
60.40964	2.0
61.02914	8.1
65.03932	5.2
67.05508	100.0
69.03434	12.4
69.07069	55.2
71.01349	6.0
71.04978	10.9
71.06281	5.2
73.02902	2.5
79.05493	69.5
81.02932	2.9
81.03418	61.9
81.07057	91.7
83.04996	21.7
83.08240	2.0
83.08626	27.0
85.02531	2.0
85.02914	23.8
85.06538	6.2
91.04903	4.2
91.05482	86.0
93.06490	3.6
93.07049	67.1
95.04970	33.4
95.08003	2.8
95.08607	42.9
97.02883	9.2
97.06519	21.5
97.10181	15.5
99.08087	3.2
105.07034	67.1
107.04966	20.4
107.08600	39.5
108.98808	2.2
109.02858	2.4
109.06525	12.5
109.10161	32.5
111.04443	5.3
111.08093	15.1
113.05997	2.3
115.05475	3.0
117.07047	20.5
119.08578	50.9
121.06508	7.8
121.10138	27.2
123.04327	2.1
123.08064	11.9
123.11703	7.9
125.09635	13.1
127.03940	3.0
129.05487	4.7
129.07021	17.9
131.04991	2.0
131.08565	29.3
132.10342	2.0
133.06465	6.4
133.10135	45.5
135.08075	7.1
135.11726	19.7
137.09612	16.9
142.07751	5.4
143.08551	7.4
145.06494	3.3
145.10115	19.6
147.08025	5.5
147.11690	27.9
149.09602	25.9
149.13248	6.2
151.11185	7.5
155.08473	3.7
155.10713	3.2
157.08855	3.3
157.10126	20.0
159.11679	12.8
161.09654	3.6
161.13220	8.5
163.11179	13.7
165.12724	3.1
169.10098	3.6
171.11707	6.1
173.09659	2.2
173.11743	6.6
173.13229	5.6
175.11194	19.6
177.12770	3.5
179.14267	2.4
183.11618	2.5
185.13228	2.9
187.11308	2.6
189.11234	5.0
189.12772	2.7
193.12256	42.7
195.13661	2.9
197.13348	2.6
209.11740	4.1
211.13286	54.4
223.13277	3.1
227.12775	9.9
229.12286	2.6
229.14340	8.4
241.19566	5.0
244.81743	1.8
253.14429	13.3
257.18945	7.7
259.20483	12.9
267.15887	33.5
269.17508	3.7
273.18524	6.7
275.20029	29.7
283.15366	7.3
285.16962	36.8
291.19547	9.3
293.21078	3.5
299.14905	15.0
301.16394	7.3
331.22421	3.6
333.24210	9.5
349.23724	38.1
365.23199	7.8
381.22726	4.2
409.25833	3.2
421.25644	4.6
439.26859	15.1
445.25766	2.6
447.27991	2.1
461.29483	2.5
463.30682	4.8
477.28268	6.1
495.29620	4.8
539.33319	3.2
541.35217	12.6
557.34747	20.6
559.36328	39.0
575.35669	18.4
577.37256	2.5
697.41467	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	790.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.6
55.05515	19.6
57.03444	10.0
59.04996	1.8
61.02919	1.3
61.78768	1.1
65.03925	2.2
67.05510	40.5
69.03423	2.8
69.06775	1.0
69.07068	10.5
71.05000	6.2
77.03931	1.6
79.05499	41.7
79.84528	1.2
81.03426	37.6
81.07061	36.7
83.04967	6.0
83.08620	13.6
85.02889	4.0
85.06536	3.1
89.98896	1.1
91.03996	1.2
91.05489	38.2
93.07052	38.5
95.04974	14.5
95.08612	21.9
97.02878	2.2
97.06515	4.6
97.10168	9.4
98.20794	2.5
99.08108	1.1
103.05445	1.8
105.04493	1.7
105.07039	38.3
107.04948	5.4
107.08601	21.6
109.06546	5.7
109.10167	11.7
110.96503	1.1
111.08061	3.8
115.05426	3.0
117.07025	16.2
119.08591	29.6
121.06490	3.6
121.10154	23.6
123.08069	6.1
123.11769	1.9
125.09626	7.8
128.06252	2.4
129.07013	14.3
131.08575	22.4
133.06470	2.3
133.10144	21.4
135.08044	4.4
135.11693	9.4
137.09621	3.1
141.06990	3.4
142.07797	2.1
143.08568	10.8
145.06487	2.1
145.08250	1.0
145.10130	19.4
147.08061	2.5
147.11702	15.7
149.09677	5.1
149.13239	4.6
151.11156	1.7
151.91460	1.0
155.08536	4.5
157.10150	14.1
159.07999	1.9
159.11713	11.9
161.09586	2.0
161.13281	8.3
163.11183	3.7
163.14818	1.6
165.12752	1.6
167.08562	2.2
169.10161	7.3
171.11671	9.0
173.09500	1.6
173.13220	6.4
175.11249	6.0
175.14853	3.4
177.12776	1.7
181.10106	4.2
183.11685	6.4
185.13309	6.8
187.14792	3.0
189.11206	2.7
191.14305	1.3
193.06624	1.3
193.10292	1.4
193.12202	4.9
195.11670	4.2
197.13255	3.4
199.11298	1.3
199.14836	4.5
201.16505	1.3
207.11768	1.7
209.13257	3.3
211.14864	2.6
213.16440	1.6
215.14409	1.3
217.16003	1.6
221.13306	1.1
223.14876	1.8
225.16492	1.6
227.12755	6.9
241.19522	3.7
259.20612	13.4
267.15924	15.8
273.18448	1.3
283.15414	2.1
283.20682	1.5
299.23764	5.6
301.21313	1.1
333.24249	8.4
337.21490	1.6
359.26086	1.2
389.23779	1.3
403.24588	1.8
415.29852	1.9
421.25824	7.7
433.30963	6.2
435.27347	4.8
449.29263	1.6
451.32300	8.8
461.28583	1.5
469.33041	5.9
471.32166	1.5
489.32816	1.3
507.34601	4.7
517.34875	4.0
525.35803	49.0
526.36243	1.9
539.36688	2.0
543.36853	100.0
544.37000	3.6
557.38269	8.4
567.36615	2.0
575.39526	15.2
633.37634	2.1
651.38654	1.7
669.39508	2.4
687.41010	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
56.05040	0.6
57.07063	0.4
58.06365	0.3
58.06630	0.6
60.07885	0.4
60.08169	5.7
67.05499	1.3
69.07058	0.5
70.54036	0.2
71.04987	0.2
71.07377	3.7
71.52702	0.3
79.05495	1.0
79.93292	0.2
81.07064	1.4
83.04962	0.3
86.09708	30.2
91.05489	0.7
93.07039	1.3
95.08609	0.6
95.89733	0.2
98.98461	3.1
104.10757	3.2
105.07039	0.8
107.08614	0.8
109.10140	0.4
117.07025	0.4
119.08630	0.5
121.10177	0.4
122.78217	0.2
125.00009	19.8
131.08601	0.3
133.10162	0.4
145.10167	0.3
147.11685	0.3
149.09674	0.3
159.11734	0.3
184.07346	100.0
185.07657	0.5
219.17479	0.5
275.20038	0.6
333.71069	0.2
335.25888	0.8
336.26068	0.5
610.45154	1.7
618.09216	0.3
690.46851	2.2
772.55286	1.3
790.55878	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	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05513	11.9
57.03441	9.5
57.07060	2.1
61.02923	2.3
65.03937	2.7
67.05505	54.5
69.03411	1.5
69.07070	13.5
69.81055	2.4
71.04985	1.2
71.08644	0.5
73.02919	0.9
77.03922	0.9
79.05492	33.7
81.03418	0.8
81.07054	53.9
83.04960	1.2
83.08620	7.2
85.02906	2.1
85.06528	1.4
91.03960	0.6
91.05478	19.2
93.07043	42.6
95.04959	2.7
95.08605	44.0
97.02885	1.8
97.06524	2.2
97.10171	3.5
99.08080	1.3
102.35136	0.5
105.06316	0.7
105.07028	15.4
107.08594	22.0
109.06517	1.4
109.10155	19.2
109.10790	0.4
109.10916	0.7
111.08070	1.0
111.11690	0.6
113.09678	0.6
117.07031	5.8
119.06053	0.4
119.08587	14.4
121.10145	20.5
123.08104	1.3
123.11704	8.4
125.09629	0.9
129.07004	1.8
131.08556	10.6
133.10129	10.6
135.11693	14.5
137.09624	0.6
137.13263	2.4
143.08554	1.7
145.10120	8.8
147.11678	10.3
149.09657	0.7
149.13263	8.2
151.11160	0.7
151.14859	1.5
157.10144	1.8
159.11691	8.8
161.13248	6.1
163.11186	0.6
163.13565	0.7
163.14821	4.4
171.11708	1.6
173.13278	7.2
175.14806	3.5
177.12759	0.7
177.16339	1.7
183.11581	0.6
185.13246	2.3
187.14880	3.7
189.16527	0.7
191.17987	0.7
199.14816	1.5
201.16389	1.5
213.16492	1.0
215.17938	1.4
217.19547	0.7
223.54092	0.5
231.21046	1.1
233.22635	0.9
241.19632	3.8
243.21054	5.3
257.18832	0.6
259.20593	7.0
261.22137	17.0
263.23764	2.0
279.23212	0.8
280.73145	0.5
287.23538	0.7
289.24817	0.5
294.48688	0.5
299.23721	1.0
313.25244	0.7
315.23062	0.9
317.24661	2.8
333.24240	6.8
335.25797	100.0
336.26007	2.4
337.27368	10.2
355.29956	0.6
361.26956	0.5
409.84616	0.6
503.36349	0.7
505.38394	0.6
521.43542	1.6
539.44598	1.2
543.40466	0.8
595.47241	15.6
613.48303	13.1
614.48505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.4
59.04956	0.5
61.02931	4.4
67.05519	4.2
69.03444	3.1
69.07075	2.0
71.01405	0.6
71.04993	1.1
71.51962	0.7
73.02911	4.1
79.05501	4.4
81.03439	3.8
81.07072	3.9
83.05002	1.6
85.02922	5.8
91.03961	2.9
91.05489	3.2
93.07046	3.0
95.04987	2.0
95.08620	2.1
97.02904	4.0
97.06541	2.3
99.04471	1.0
101.02406	1.6
105.07066	2.2
107.04996	0.7
107.08607	2.5
109.06556	1.0
109.10177	1.6
114.62485	0.6
117.07044	0.9
119.08613	2.2
121.06517	0.7
121.10182	0.8
123.08071	1.3
127.03984	1.6
129.06995	0.7
131.08592	1.9
133.10165	1.2
135.08170	0.6
135.11711	1.0
137.05978	1.2
143.08623	0.7
145.10165	1.5
147.11714	0.6
149.13333	0.7
151.03868	0.9
151.07599	0.8
160.12128	0.8
163.03978	1.0
163.11241	1.9
184.07487	1.0
186.91034	0.6
193.08748	0.7
216.88858	0.6
243.08466	2.0
267.16058	1.2
283.15329	0.8
340.45010	0.7
341.97125	0.6
347.18124	0.8
349.19919	5.1
371.14993	0.9
439.19342	1.3
453.20969	1.5
462.29144	0.9
467.19055	7.0
469.20523	1.4
542.36133	0.8
567.28058	4.1
641.30945	0.9
793.39819	100.0
794.40479	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	794.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	15.6
57.07068	6.8
61.02919	4.3
65.03936	4.3
67.05508	100.0
69.03423	1.2
69.07071	35.4
70.07423	1.0
70.75084	1.8
70.75420	2.2
71.04986	2.1
71.08628	3.4
79.05494	44.0
81.07060	94.0
83.04972	2.7
83.08624	18.0
85.02906	3.7
85.06551	3.3
86.17228	1.1
87.04489	3.2
91.03954	1.6
91.05486	27.9
93.07048	54.8
95.04964	2.7
95.08611	76.9
97.02893	1.9
97.06550	4.9
97.10181	9.8
99.08131	2.5
105.07043	22.5
107.08602	31.0
109.06517	1.6
109.10161	31.4
111.08097	3.1
111.11723	2.0
117.07017	5.4
119.08577	18.0
121.10151	28.3
122.81339	1.1
123.08080	2.2
123.11706	12.7
125.09645	1.9
131.08578	10.6
133.10139	19.1
135.11707	15.5
137.09618	1.3
137.13257	3.4
139.11139	1.7
143.08644	1.3
145.10110	8.9
147.11688	11.9
149.13284	10.9
151.14818	1.4
151.42250	1.1
153.12785	1.6
157.10194	1.7
159.11681	8.0
161.13272	8.8
163.14861	6.7
165.12704	2.4
165.16309	1.5
171.11670	1.6
173.13229	5.6
175.14828	6.6
177.16283	1.6
187.14804	3.6
189.16373	1.7
201.16367	1.5
203.17986	1.4
241.19487	2.7
243.21069	5.0
245.22673	2.5
259.20621	4.0
261.22162	19.2
263.23627	5.0
274.74072	1.3
317.24863	4.8
333.24240	3.0
335.25824	81.5
336.26382	1.7
337.27380	88.3
338.27802	1.7
339.28876	5.0
361.27444	1.5
429.20166	1.3
519.25452	1.3
522.28149	1.2
523.45209	3.1
541.45477	1.9
597.48834	30.7
614.22693	1.2
615.49915	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	795.414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
60.11260	0.4
61.02694	0.4
61.02939	4.5
62.72929	0.4
67.05503	3.9
69.03438	2.9
69.07072	2.2
71.05002	1.2
71.52924	0.5
73.02927	3.1
79.05495	3.7
80.29829	0.4
81.03421	3.8
81.07059	4.3
83.04989	1.4
83.08629	1.7
85.02912	6.0
85.06537	0.6
91.03974	2.2
91.05476	3.8
93.07056	3.3
95.04957	2.2
95.08600	2.7
97.02892	5.0
97.06534	4.0
99.04475	0.6
99.70518	0.4
101.02409	1.4
105.07034	2.3
107.04983	0.7
107.08617	1.6
109.02870	0.8
109.06546	0.4
109.10177	1.0
111.08142	0.5
117.07019	0.5
119.08572	2.4
121.06572	0.5
121.10166	1.5
122.55907	0.5
123.11736	0.5
127.03949	1.2
129.07013	0.9
131.08600	1.6
133.10149	1.7
135.11711	1.2
145.10158	0.6
147.11728	1.0
149.09686	0.9
149.13258	0.7
157.10153	1.1
163.03947	1.0
163.11270	0.4
173.54832	0.5
173.96191	0.5
175.05118	0.4
175.11247	0.6
185.04193	0.6
187.81998	0.4
189.98840	0.4
193.12317	1.9
196.25403	0.4
211.13263	0.6
243.08406	3.1
251.12593	1.2
291.16000	0.5
349.19901	6.7
405.22641	0.7
435.27386	1.1
436.28000	1.3
439.19565	1.5
453.21249	1.1
469.20419	7.3
567.27734	5.1
641.06982	0.5
681.34485	0.7
795.41400	100.0
796.41541	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	795.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.3
57.33361	0.5
57.50531	0.5
59.04996	0.8
61.02935	3.9
61.14718	0.6
67.05511	2.7
69.03444	3.2
69.07074	1.3
69.81386	0.6
71.05001	1.2
73.02914	2.9
79.05499	4.0
81.03423	3.4
81.07059	3.9
83.08635	1.0
85.02890	4.5
87.04499	0.9
91.03973	2.4
91.05489	4.9
93.07049	3.4
95.04993	0.8
95.08623	2.5
97.02887	4.0
97.06567	0.6
99.04524	0.7
101.02419	1.1
105.07022	2.8
107.08624	2.2
107.86249	0.5
109.02921	1.2
109.10175	1.0
111.08143	0.6
119.08604	2.0
121.10172	2.1
127.03913	1.0
129.07018	0.9
131.08601	1.3
133.10188	2.3
146.46243	0.6
147.11710	1.3
149.09688	1.5
157.10239	0.6
162.36827	0.6
163.11214	0.5
175.11288	0.7
185.04388	0.6
192.75513	0.6
193.12308	1.3
214.63510	0.5
217.36218	0.6
229.29907	0.6
243.08447	3.2
259.08069	0.7
283.15207	3.4
287.16293	0.6
301.09109	1.1
315.10660	1.0
339.17752	1.0
501.23184	12.6
535.28857	7.7
541.53912	0.7
573.25616	1.6
673.43347	0.7
720.21112	0.6
795.45111	100.0
796.45209	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	797.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.2
57.07073	1.1
61.02932	6.0
65.03961	0.6
67.05504	10.6
69.03430	14.7
69.07069	10.5
71.04999	2.0
71.08634	0.9
71.52260	0.8
73.02912	2.8
73.03265	0.5
77.03925	1.0
79.05495	6.4
81.03423	7.0
81.07059	25.7
83.01330	0.7
83.04994	0.7
83.08620	4.4
85.02907	82.3
87.04470	1.1
91.03944	2.7
91.05471	7.3
93.07050	18.5
95.04988	1.5
95.08609	42.3
96.08952	0.6
97.02894	21.6
97.06498	1.0
97.10157	3.6
99.04469	3.2
99.70240	0.5
101.02367	0.8
103.03982	0.9
105.06313	0.9
105.07029	20.7
107.08595	32.3
109.02884	6.5
109.06551	0.8
109.10156	35.0
111.08083	22.3
111.11766	1.0
113.09698	0.6
115.03989	0.6
117.07016	2.0
119.08585	37.4
121.10146	26.0
123.08061	1.2
123.11714	7.6
125.09631	0.8
127.03918	18.6
127.07063	0.6
129.07011	1.8
129.57393	0.7
131.08565	7.7
133.10133	25.2
135.11700	13.8
137.09534	0.6
137.13297	2.3
139.07462	0.8
139.11238	2.8
143.08569	2.4
144.09351	0.7
145.04961	28.6
145.10129	16.4
147.04424	2.5
147.11684	26.3
149.09689	0.8
149.13260	33.7
151.11206	1.6
151.14890	0.8
153.09137	2.2
153.12793	0.8
155.08621	0.8
157.10114	3.9
159.11691	15.1
161.13258	20.5
163.03949	1.4
163.06030	10.8
163.07356	0.5
163.11209	0.8
163.14832	21.6
165.09117	1.2
165.12767	0.8
167.10652	1.0
169.10136	1.2
171.11714	2.9
173.13257	10.7
175.14827	17.3
177.16383	20.7
179.10698	1.6
179.14474	0.7
183.11713	2.2
185.13347	2.4
187.14819	15.6
189.16382	50.6
191.17935	8.9
193.12228	0.6
193.15833	1.4
195.07988	0.7
195.17453	1.7
197.13297	0.9
199.14851	4.7
201.16374	33.8
203.17955	43.1
204.18333	0.7
205.15907	4.3
205.19553	2.6
207.17445	19.5
213.16360	6.1
215.17957	21.0
217.15845	1.6
217.19569	3.3
219.17439	4.7
221.15425	1.8
221.19031	4.8
225.16469	1.8
227.17976	2.6
229.19495	5.0
231.17477	2.4
233.19043	1.4
235.16888	5.0
239.18050	2.7
241.19548	4.2
243.21045	4.5
247.16920	6.0
249.18500	6.0
253.19521	2.4
255.21094	2.5
257.22903	0.6
259.16968	1.2
261.18597	3.5
261.22113	0.8
267.21075	2.1
269.22726	1.8
273.18613	1.5
275.20117	1.4
279.21011	1.0
281.22589	3.1
283.24274	2.4
285.18549	1.2
285.21747	0.7
287.20126	1.4
289.08981	0.7
289.21616	1.2
295.24356	1.0
297.25745	0.7
299.20108	1.6
301.21616	1.2
309.25674	0.8
313.21530	0.7
315.23260	0.8
325.11365	1.5
325.21875	0.7
327.23145	1.8
329.24799	2.6
335.27234	0.7
343.26392	2.3
351.30426	2.8
355.26349	1.1
363.31497	0.8
379.33841	0.8
391.33560	15.2
393.35184	1.2
397.31070	9.0
409.34644	34.3
410.34744	0.7
411.36414	4.1
419.33075	1.2
425.34174	9.1
427.35715	2.5
435.32394	1.0
437.34177	100.0
438.34628	1.9
455.35214	42.9
456.35873	0.7
537.76306	0.7
588.45502	0.8
589.40527	1.4
599.39026	0.8
658.88892	0.7
797.42084	3.3
799.91296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4684
Annotation	Arborenin
Peak:m/z	Relative Intensity
57.03434	4.7
57.07085	1.4
61.02931	6.4
65.03932	0.9
65.62079	0.7
67.05174	1.2
67.05506	13.3
69.03086	1.2
69.03433	16.8
69.07073	11.5
69.90409	3.4
71.04975	2.0
71.08608	0.9
71.71043	0.6
73.02901	2.6
79.05485	7.1
81.03417	6.2
81.07063	26.5
82.07387	0.8
83.08627	6.4
84.04523	0.7
85.02909	80.8
85.06520	1.0
87.04482	1.9
88.11780	0.8
91.03950	3.4
91.05479	8.0
93.07044	22.3
95.04994	1.9
95.08611	42.7
97.02892	21.2
97.10164	3.2
99.04457	2.5
103.03989	1.2
105.07039	23.1
107.08595	32.9
109.02882	8.0
109.06538	2.0
109.10160	37.4
111.04425	1.0
111.08087	23.0
111.11772	0.9
115.03942	1.2
117.07024	2.2
119.08587	38.6
121.10149	25.6
123.11713	9.5
127.03919	19.6
131.08594	8.8
133.09137	1.7
133.10133	27.2
135.11707	15.0
137.06007	1.0
137.13255	2.2
139.07567	1.0
139.11195	4.1
142.07863	0.9
143.08600	3.0
145.04973	28.3
145.10132	17.7
147.04431	1.3
147.11700	25.2
149.13268	35.7
151.07498	1.0
151.11140	0.9
151.14870	0.8
153.09117	2.0
157.10136	2.7
159.11705	17.6
161.13255	21.6
163.03947	1.7
163.06015	10.4
163.07248	1.1
163.11212	0.9
163.14818	21.4
163.16103	1.4
165.09114	1.0
165.12714	1.1
167.10725	1.1
169.10162	1.1
171.11707	3.5
172.12494	0.9
173.13278	11.3
175.11249	0.7
175.14827	17.2
177.09166	0.8
177.12669	1.3
177.16405	19.4
179.10619	1.0
179.14261	1.1
183.11795	1.2
185.13286	3.2
187.14844	16.9
189.16385	55.8
191.17953	10.6
195.17395	1.9
199.14825	3.1
201.16388	34.7
203.17963	42.8
205.15871	5.0
205.19553	3.1
207.17456	20.6
209.13257	0.9
211.14799	1.7
213.16376	5.3
215.17978	19.6
217.19484	3.9
219.17474	4.1
221.15421	2.4
221.19031	6.6
225.16376	2.4
227.17923	3.6
229.19522	6.2
231.17509	2.6
233.19156	2.0
235.16888	4.7
237.16454	0.9
239.17940	2.1
241.19560	3.1
243.21170	3.4
245.22591	1.0
247.16965	6.5
249.18549	5.5
253.19550	1.5
255.21146	2.4
255.38733	0.8
259.17004	1.5
261.18494	3.1
267.21170	1.8
269.22699	1.8
273.18478	1.3
275.19974	1.2
279.21072	1.1
281.22684	2.2
283.24240	2.6
285.18454	1.0
287.20206	1.0
289.09412	1.1
289.21616	1.4
295.24149	1.4
299.20090	1.2
301.21475	1.3
313.21982	0.9
315.23288	1.0
325.11386	1.8
327.23251	2.1
329.24811	3.2
343.26407	2.8
351.30392	1.8
355.26288	1.7
379.33624	0.9
391.33600	16.8
397.31012	8.4
407.33398	1.0
409.34665	38.5
410.34982	1.4
411.36282	6.1
419.33405	1.2
425.34192	9.5
427.35675	2.4
437.34186	100.0
438.34589	2.4
455.35214	43.7
456.35379	1.1
581.37964	1.1
589.41028	1.1
797.41870	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.2
61.02927	7.0
65.03944	0.3
67.05507	7.1
69.03430	4.0
69.07083	1.3
69.16900	1.8
69.17325	1.0
71.01361	0.5
71.05002	0.9
73.02921	6.0
75.34848	0.3
79.05492	4.3
79.05910	0.4
81.03432	1.7
81.07063	6.3
83.05001	0.6
83.08627	0.8
85.02906	6.4
85.03380	0.5
87.04483	0.7
91.03953	4.6
91.05485	2.9
93.07045	5.8
95.04952	0.3
95.08607	5.5
97.02892	6.1
97.06516	0.4
97.10162	0.4
98.21550	0.4
99.04469	1.1
101.02374	2.1
103.03948	0.6
105.07038	1.4
107.08575	2.6
109.02908	1.1
109.10157	1.8
109.82736	0.3
115.03938	0.4
117.07038	0.6
119.08588	1.2
121.10126	1.7
123.11723	0.4
127.03942	2.1
131.08600	1.2
133.10158	0.6
135.11728	1.1
145.05005	0.7
145.10162	0.7
147.11728	0.4
149.13281	0.4
159.11711	0.7
161.13301	0.7
173.13206	0.4
185.04288	1.1
203.05304	0.3
231.26140	0.3
233.08444	0.2
241.53775	0.3
243.08388	2.2
329.05991	0.3
335.25922	0.8
463.28870	0.3
497.30881	0.3
519.29266	13.1
520.29736	0.3
797.51715	100.0
798.52136	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	798.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.2
57.07059	1.3
61.02938	9.4
67.05508	4.3
69.03436	18.4
69.07085	3.7
71.05003	4.0
71.43476	0.5
71.51903	0.7
73.02915	2.6
79.05496	2.5
81.03429	7.4
81.07060	12.7
83.01332	0.6
83.04974	0.5
83.08615	3.1
85.02911	100.0
87.04465	1.8
91.03960	4.4
91.05481	3.0
93.07050	4.6
95.04994	0.6
95.08616	19.3
96.04419	0.5
97.02899	29.0
97.06528	0.8
97.10172	1.5
99.04446	4.4
105.07037	4.8
107.04936	0.6
107.08611	9.5
109.02885	9.9
109.06522	0.7
109.10163	12.9
111.08146	0.6
111.11702	0.9
115.03924	1.5
117.07052	0.8
117.35941	0.6
119.08580	7.3
121.10157	8.3
123.08114	0.6
123.11726	7.2
127.03925	26.2
131.08583	2.2
133.10132	8.1
135.11702	7.4
136.84471	0.6
137.13254	4.7
143.08635	0.7
144.06625	2.9
145.04970	45.3
145.10094	2.7
147.11694	6.1
149.13266	4.6
151.11234	0.6
151.14799	1.0
157.10138	1.6
159.11757	2.0
161.13264	4.0
162.07657	1.2
162.31857	0.6
163.03925	1.4
163.06018	14.1
163.11179	0.7
163.14839	4.3
171.11726	1.3
173.13330	2.4
175.14867	3.7
177.16438	2.7
179.14455	0.9
179.17973	2.8
180.08734	1.7
183.34625	0.6
185.13254	1.3
187.14835	3.1
189.16405	9.3
191.14432	0.9
191.17958	11.5
199.14864	3.2
201.16434	3.6
203.17970	12.1
205.19611	1.6
207.17470	3.5
213.16473	2.1
215.18002	2.6
217.15919	1.1
217.19606	2.2
227.17958	1.0
229.19615	2.7
231.21104	1.9
241.19577	1.4
243.21208	1.9
247.16982	0.7
247.20665	1.7
249.18597	1.7
255.21098	1.1
257.22769	0.8
259.17010	1.7
261.18613	0.6
261.22336	0.8
269.22678	1.6
271.08115	0.8
283.75815	0.6
284.87540	0.5
287.20209	0.8
289.09235	1.6
289.21692	0.7
324.13004	1.5
325.11395	2.7
336.31769	0.6
342.14584	0.7
393.35196	11.6
411.36237	25.0
421.34915	1.1
439.35736	28.6
457.36832	21.3
458.37253	1.2
498.39108	1.1
718.58246	0.6
736.61993	0.8
798.43335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.5
61.02700	0.5
61.02938	5.5
65.24037	0.5
67.05505	7.0
69.03442	3.7
69.07067	2.4
69.26189	4.1
71.04989	0.8
73.02926	5.2
79.05485	3.0
80.34122	0.5
81.03454	1.1
81.07061	6.3
83.08633	1.0
85.02914	6.4
91.03962	4.7
91.05501	2.1
93.07053	4.2
95.08610	4.9
97.02894	5.3
99.04469	0.8
101.02387	2.6
103.03966	0.8
105.07040	0.9
107.08614	1.6
109.02910	0.8
109.10181	1.8
119.08615	1.2
121.10187	1.9
127.03947	1.4
131.08549	0.9
133.10170	0.7
135.11726	0.9
145.05042	0.6
185.04274	0.9
203.05330	0.7
243.08484	1.8
311.61746	0.6
327.91531	0.5
335.26505	0.6
500.70239	0.5
519.29364	6.6
521.30853	7.0
585.28735	0.8
586.98547	0.6
611.37598	0.6
623.12128	0.6
636.44165	0.7
781.90460	0.7
799.53296	100.0
800.53497	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	802.531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.9
57.07064	1.5
61.02927	2.3
65.03964	2.1
67.05510	43.6
69.07074	9.8
70.56812	3.3
70.57136	1.6
71.04996	2.3
79.05499	25.5
80.44727	1.5
81.03423	61.2
81.07061	42.1
83.04977	4.7
83.08626	13.3
85.02913	2.6
85.06587	1.5
91.03966	1.9
91.05489	27.1
93.07053	31.5
95.01169	1.6
95.04968	19.1
95.08618	29.1
97.02868	3.2
97.06551	2.5
97.10180	4.6
99.04410	1.5
99.08102	1.9
105.07052	17.7
107.04939	3.5
107.08611	17.3
109.06532	3.7
109.10188	12.4
111.06388	1.6
111.08092	4.8
115.05463	2.6
117.07017	5.6
119.08578	19.9
121.06478	2.4
121.10150	19.2
123.11713	4.4
125.09663	4.3
129.07021	5.6
131.08563	11.3
133.06451	2.1
133.10135	9.8
135.11708	8.6
137.09604	1.6
137.13257	2.7
145.10115	6.9
147.11688	7.5
149.09628	3.9
149.13261	6.2
149.39616	1.8
157.10135	6.8
159.11636	3.6
161.13260	5.1
163.11183	1.9
163.14812	3.7
165.12804	2.4
173.13297	3.3
175.11182	5.0
177.16411	1.8
184.07341	4.0
185.13377	3.7
187.14856	3.7
189.11278	1.9
193.12279	17.5
201.16411	1.7
211.13420	1.8
215.18217	1.8
227.12779	6.7
233.15265	1.8
243.21092	6.0
247.16727	1.6
248.53990	1.6
249.14943	2.1
261.22162	21.1
267.15927	100.0
268.16376	2.0
301.25302	3.8
317.24670	2.7
335.25800	91.4
336.26132	2.1
360.36826	1.6
421.25766	4.2
435.27609	2.1
453.33575	5.2
471.34726	3.7
527.37360	68.8
545.38440	51.1
569.37872	1.7
577.40436	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	803.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	0.7
57.03424	0.3
58.99863	0.2
61.02914	0.4
67.05478	0.3
67.05815	0.2
68.98292	0.3
69.03429	0.9
70.79116	0.4
70.99824	0.3
71.04971	0.3
77.00919	0.2
79.05465	0.7
81.03397	0.5
82.99863	0.5
85.02446	0.2
85.02917	2.7
86.99317	0.3
87.04414	0.2
89.00837	0.2
91.03957	0.2
91.05469	0.8
93.07034	0.2
95.04959	0.3
97.02892	1.3
98.97587	1.9
99.04434	0.2
101.00885	4.8
102.96823	0.2
103.02433	0.3
103.05430	0.4
105.00325	0.3
105.07050	1.4
109.02848	0.7
109.06506	0.2
110.97542	0.3
113.00837	0.8
115.02424	0.9
116.98606	0.7
119.01929	7.5
119.04250	0.2
119.04945	2.5
121.03556	0.2
121.06496	0.5
127.02396	0.8
127.03876	0.5
128.98608	0.4
129.04010	0.3
131.01915	2.0
131.04912	0.3
133.03481	1.4
134.99608	0.2
137.00813	0.2
137.02942	0.5
137.05960	0.8
138.01617	0.2
141.03954	0.4
142.03456	0.2
143.00133	0.4
143.01904	8.0
145.02425	0.3
145.03436	3.3
145.04965	0.7
147.01352	0.4
147.04391	4.0
149.03000	0.2
149.05937	0.5
151.02356	0.2
153.03996	1.2
155.01889	2.1
155.05522	1.1
156.02612	0.3
157.03525	1.1
158.99631	0.7
159.05058	0.3
161.02969	8.5
161.04411	0.6
163.02455	0.3
163.03853	0.5
163.06042	4.6
165.04007	0.4
165.05457	1.6
167.01907	0.6
167.05626	0.2
167.06964	0.2
169.03448	0.7
170.99660	0.2
171.02902	0.3
171.03593	0.2
171.05034	2.7
173.01418	0.3
173.02965	2.3
173.06595	1.0
175.03857	1.6
177.00717	0.5
177.02440	0.2
177.03967	0.7
179.05516	1.8
181.01833	0.3
181.03462	3.7
181.07103	3.7
182.99623	0.9
183.01186	0.2
183.04987	0.6
184.04573	0.4
185.01457	0.3
185.02940	1.5
185.04546	0.7
185.06479	0.3
187.02545	0.5
187.04395	0.3
189.03961	2.9
189.05655	0.2
191.03983	0.3
191.05585	0.4
193.04971	11.7
195.03369	0.2
195.05026	3.1
196.05629	0.2
197.01317	0.3
197.02965	0.8
197.06570	2.4
199.04538	4.2
199.08197	1.9
201.00720	0.9
203.02184	0.2
203.03976	4.8
203.05577	0.6
205.01631	0.2
205.03464	3.2
205.07106	0.8
206.04231	0.8
207.05038	12.3
208.05215	0.2
209.03085	0.3
209.06659	1.0
211.04466	0.3
211.06207	0.3
211.08044	0.4
211.30133	0.2
213.06100	0.5
215.02075	0.3
215.04001	1.0
215.07481	0.3
217.05600	0.5
217.09189	0.4
219.01784	0.9
219.04961	1.3
220.05922	0.2
221.03101	0.4
221.04984	8.1
223.02388	0.2
223.04526	5.7
223.08026	1.6
225.06090	6.8
226.06261	0.2
227.04080	0.3
229.03531	0.4
229.07214	0.3
230.06598	0.3
231.01619	0.2
231.05029	2.3
233.02945	3.1
233.06465	0.9
235.04604	1.5
235.08107	0.4
237.02756	0.9
237.06123	1.3
239.02261	0.2
239.07707	0.5
241.03648	0.3
241.05644	3.1
243.01706	0.3
243.04800	0.3
243.07170	2.8
244.06824	0.3
245.04979	0.5
247.04535	5.6
247.06923	0.3
248.05165	0.2
249.06119	3.8
250.03209	0.2
251.04022	9.1
251.07663	0.4
253.05811	0.9
255.07095	0.3
257.02927	1.6
259.04556	1.4
261.02838	0.4
261.06018	0.3
263.04135	0.2
263.07706	0.3
265.05640	3.7
267.03830	0.3
267.07123	3.8
269.05167	2.5
271.06778	0.3
272.06970	0.2
274.05606	0.2
275.04001	4.9
275.06653	0.2
275.73114	0.2
277.05719	1.0
279.03812	0.4
279.07150	0.7
281.05032	0.2
281.08612	0.4
285.02499	1.1
285.05786	0.2
285.08401	1.1
287.06134	0.7
288.07727	0.2
289.05548	0.7
291.07138	0.9
293.05060	28.8
294.05319	0.8
295.06885	0.3
297.08228	0.7
303.03836	1.2
303.07230	1.3
304.04297	0.2
305.04840	0.3
307.06650	0.9
309.02563	0.4
309.08163	1.3
310.07941	0.2
311.06119	100.0
312.06351	2.6
313.06473	0.3
316.06625	0.5
321.08124	1.0
323.05923	0.3
325.07690	10.3
326.07858	0.3
327.03827	2.5
327.09302	0.3
329.07217	14.2
330.07449	0.4
331.03281	0.2
332.11398	0.2
333.08127	0.4
334.07706	3.3
337.07785	0.4
341.07266	0.2
343.08740	2.4
345.04990	0.4
347.05859	0.5
351.04825	0.2
351.09238	4.7
352.08865	0.4
353.07181	43.6
354.07266	1.4
365.07230	0.3
369.05261	0.5
369.10287	5.3
371.08231	5.7
377.07089	0.4
387.11322	0.7
394.09845	0.8
395.08331	2.7
398.34314	0.2
413.09293	29.4
414.09344	0.8
429.06970	0.8
431.10379	24.9
432.10733	0.8
437.12140	0.7
437.62695	0.2
447.08032	0.8
454.12146	1.3
455.10635	0.4
473.11334	2.8
489.09048	0.4
503.12170	0.6
527.11914	0.3
533.13281	0.5
557.13043	0.3
575.14594	1.7
579.15240	1.0
593.14886	0.4
597.16663	16.9
598.16681	0.5
623.14575	4.8
641.15521	2.3
683.16895	0.5
803.20972	4.3
804.21332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	18.4
57.07076	2.1
59.04999	5.3
60.94689	0.8
61.02937	4.4
65.03935	2.4
67.05511	66.9
69.03433	3.3
69.07083	9.9
71.01341	2.4
71.04984	5.8
71.52242	1.2
73.02916	2.9
79.05500	30.8
79.99207	0.8
81.03426	20.0
81.07062	33.4
83.01345	8.2
83.04990	17.1
83.08625	19.1
85.02911	15.4
85.06551	1.7
86.70625	0.9
87.04450	4.6
91.04980	1.5
91.05497	20.5
93.07053	30.2
95.04981	7.8
95.08617	13.1
97.02902	7.2
97.06536	7.3
97.10173	12.6
99.04458	2.0
103.05481	1.2
105.04557	1.0
105.07035	11.7
107.04964	10.9
107.08607	17.4
109.06517	8.5
109.10168	45.8
111.04459	3.6
111.08093	4.3
115.05459	1.0
117.07037	9.1
119.08596	13.3
121.06549	4.5
121.10150	8.3
123.04427	1.6
123.08082	9.7
125.06025	1.6
125.09646	12.2
129.05489	2.8
129.07013	2.5
130.07787	2.1
131.08611	6.9
133.10159	3.0
135.08052	3.0
135.11711	13.8
137.09605	3.9
143.08519	1.6
143.10655	2.3
145.06488	2.1
145.10129	19.2
147.08054	2.5
149.09624	1.5
153.12755	5.0
155.08543	1.6
155.10687	3.5
163.11198	31.5
165.09027	1.2
169.12421	0.9
173.09665	3.8
173.11751	11.1
175.11168	1.5
179.95305	0.9
181.12224	5.6
191.10706	5.4
193.12306	2.4
199.13315	7.1
204.02750	0.8
209.11739	16.7
211.13370	1.7
227.12804	11.5
229.14369	47.2
230.14644	1.0
251.29025	0.9
257.13724	1.0
267.15906	2.3
283.15421	100.0
284.15887	1.4
301.16492	12.2
399.23859	10.8
407.24277	1.6
420.64578	0.9
425.25323	5.9
437.19418	2.0
437.25409	34.3
438.25497	1.3
473.25189	1.0
475.26862	1.7
491.26410	3.0
493.27509	1.2
509.27460	10.3
527.28516	2.5
607.34802	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	805.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	22.6
56.96851	1.1
57.03424	0.6
61.02908	0.8
69.03432	1.2
69.33547	2.1
69.33978	2.3
71.04984	0.7
71.95262	1.8
74.97634	0.5
79.05488	1.1
84.96037	6.9
85.02906	3.5
87.04445	0.9
97.02882	1.6
97.96817	2.2
98.97585	89.6
102.97025	0.8
105.00160	1.3
105.07030	0.7
110.97567	11.2
112.98434	0.7
112.99118	2.6
115.97842	1.0
116.38152	0.5
116.98622	33.8
123.01194	1.5
124.99126	1.0
127.00662	0.8
127.03883	1.1
128.98608	12.4
131.00169	1.7
132.99606	0.9
134.99672	7.2
137.05981	2.2
140.00204	1.1
140.98546	0.8
141.09096	0.7
143.00171	2.3
144.98152	1.0
145.01781	0.5
145.04968	0.7
146.99664	4.1
147.01151	1.1
147.04382	1.1
149.01222	1.2
151.00719	2.5
152.98524	0.7
155.00166	0.6
158.99663	19.5
159.01053	1.3
160.00191	0.6
160.99138	0.7
161.01231	2.9
161.02556	0.6
162.99268	1.0
163.03865	1.7
165.02284	1.6
165.99431	0.9
167.00081	0.7
169.01723	1.4
170.99625	4.1
173.01163	0.6
177.00720	15.6
177.02260	8.5
179.00160	4.2
179.02353	0.7
179.03813	1.5
179.07138	0.8
181.01732	1.3
182.99728	1.4
183.03328	0.7
187.02740	0.5
189.00688	2.6
193.01797	1.3
193.98807	0.9
194.99628	1.9
195.01631	0.9
195.03310	11.7
197.01224	5.8
197.04814	1.2
199.02779	1.0
200.02237	0.5
201.00684	4.0
205.01801	2.8
205.82382	0.5
209.01230	0.6
210.02025	0.6
211.02795	1.4
212.00006	1.6
213.00688	1.4
213.02647	0.6
213.04448	2.2
215.02281	3.2
219.01756	25.1
220.00360	2.4
221.01242	4.3
221.05005	0.5
223.02771	12.1
226.01599	1.1
227.02293	1.8
234.02040	0.7
235.02783	13.0
237.02747	27.9
238.01476	10.1
239.02238	9.6
240.02994	1.1
241.03854	9.7
241.06148	0.9
243.01915	0.6
247.02811	1.1
249.00563	4.2
251.02324	1.6
253.03853	18.1
253.06499	0.9
255.05447	2.2
256.02524	2.9
257.03345	4.1
259.04941	1.4
260.02029	2.8
260.04468	1.1
261.02829	0.6
262.01315	0.7
265.00354	3.0
265.03745	2.9
267.01755	8.9
269.03348	5.0
271.04889	8.0
274.97870	0.6
277.03836	17.3
278.03113	1.0
279.05524	4.6
280.02676	0.6
281.03333	1.0
283.01294	6.0
283.04813	1.6
284.02020	0.6
285.02811	78.1
286.03314	1.3
295.04898	19.7
299.04349	0.9
303.03860	98.3
304.04294	0.9
305.04321	0.7
307.04782	0.8
308.04474	1.6
309.02798	15.2
309.06381	1.1
313.05896	3.1
318.06534	1.1
321.04877	1.2
325.05911	0.9
326.05441	2.2
327.03867	100.0
328.04150	1.8
337.05902	5.0
341.05258	0.9
345.04926	18.2
350.05499	3.5
355.07101	0.9
364.04675	0.6
369.04932	16.3
379.07138	0.8
387.05994	3.7
397.08087	1.7
410.30258	0.5
415.09131	22.5
429.07123	13.2
429.13022	1.1
433.10303	4.2
440.64444	0.7
447.08151	11.4
449.14883	1.1
449.65195	1.8
450.15399	0.8
470.10156	0.6
475.11304	1.8
521.09131	0.7
539.10950	0.7
555.13953	1.8
557.11859	4.2
599.16565	7.0
607.13000	0.9
625.14423	10.9
625.24353	0.4
643.14935	0.7
787.19244	2.0
805.20715	89.6
806.20477	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	805.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35542	0.4
59.92757	0.4
65.03930	0.9
67.05487	0.6
67.54912	0.4
69.03422	1.1
71.37379	0.5
71.37724	0.8
79.05476	0.7
79.57372	0.4
80.05032	0.5
81.03431	0.8
81.07079	0.7
82.06590	0.7
85.02921	1.0
87.03455	0.4
89.03926	0.5
91.05487	1.1
92.05008	0.7
93.05784	0.7
93.07044	1.5
94.06570	3.7
95.04992	0.5
95.07359	1.5
95.08597	0.6
96.08153	4.6
97.02915	0.8
97.06550	0.8
99.39603	0.4
103.05507	0.4
105.07028	0.8
106.06564	0.8
107.08646	0.5
108.04511	2.4
108.08139	5.6
110.09694	6.6
116.04993	1.2
118.06566	0.5
120.04492	3.8
120.08115	6.6
121.06521	0.7
121.10178	0.4
122.06058	3.3
124.07609	4.3
127.03915	0.8
132.04459	0.6
132.08150	0.4
134.05165	0.5
134.05994	2.4
136.07587	7.9
137.06044	0.7
138.09163	8.9
144.04453	3.1
146.06020	4.3
148.07607	2.4
150.05550	0.6
152.07089	1.1
154.06458	0.4
158.16463	0.4
159.36096	0.4
160.03983	3.4
162.05524	3.5
163.03896	0.6
163.06285	0.4
164.07129	1.1
165.09174	0.7
166.08661	8.7
167.07162	1.0
172.03955	16.1
172.07590	0.8
174.05551	1.7
176.07138	2.8
178.05045	0.6
181.05077	0.6
182.09810	0.7
183.09265	0.7
184.10031	0.8
186.09149	0.7
190.05014	13.3
191.06920	0.5
197.10838	1.6
199.12349	1.8
204.06581	23.3
209.10818	1.0
210.09341	1.2
210.11525	1.0
211.08791	2.2
211.12311	0.5
212.09488	1.8
213.10344	0.8
223.08821	0.5
223.12405	0.5
224.09441	1.0
225.10240	8.8
226.11047	0.8
227.11823	13.7
229.13469	0.5
236.09557	1.3
237.10216	2.6
238.11034	1.4
239.11755	3.2
241.09834	1.3
241.13477	1.4
243.11296	0.6
245.12970	0.7
249.10345	2.0
251.08073	0.5
251.11858	1.6
252.09012	0.9
253.09729	4.9
254.10480	0.7
255.11375	1.4
257.12952	1.9
261.10291	0.7
263.08240	0.7
264.09018	2.3
265.09882	1.6
266.10580	0.6
267.11319	2.0
269.12875	14.1
270.10223	0.6
271.10785	6.9
273.12393	3.5
277.09805	1.2
279.11282	3.0
281.09308	0.6
281.12720	0.5
283.10727	4.8
284.11533	3.8
285.12402	4.9
286.13293	1.1
287.13925	14.5
289.13242	0.5
291.11176	0.5
295.10910	2.1
297.12363	7.1
299.14081	3.2
300.11661	1.2
302.12894	1.2
302.16293	0.6
307.10870	1.2
310.13400	0.6
312.15027	1.1
313.12204	1.4
314.13007	1.5
315.13901	1.2
316.11023	1.1
316.14639	1.7
317.15308	0.7
319.10703	0.6
321.08609	0.5
321.12262	0.9
323.10217	5.5
323.13544	0.5
324.11090	0.6
325.08044	0.9
325.11841	16.5
326.12833	0.7
326.16580	1.7
327.13727	2.8
327.17285	0.8
328.10892	2.8
328.14630	2.0
329.11682	0.7
329.15302	1.2
330.12463	1.0
330.16013	2.0
331.16846	1.6
337.12357	0.5
339.13397	1.3
341.11819	1.2
341.15555	0.8
342.12424	5.1
342.16214	1.2
343.13058	5.2
343.16815	0.6
344.14011	1.4
354.12680	0.7
355.13440	1.4
356.13959	4.7
357.14502	11.6
358.15472	4.2
360.16824	0.6
365.11441	0.7
367.13486	0.6
368.17838	0.6
369.15063	0.9
370.11758	0.7
370.15689	4.2
371.16183	1.4
372.17206	1.2
374.18768	0.6
376.16440	0.5
378.18231	1.4
380.13849	1.1
382.11786	2.7
383.12659	1.7
384.13309	3.7
384.17496	0.6
385.14206	1.6
386.14413	2.1
386.18900	1.9
387.15210	0.5
388.16647	1.2
389.13644	0.5
390.18246	1.8
394.15549	1.1
397.14752	1.1
398.15018	16.4
399.15802	23.9
400.16663	1.4
402.18201	1.4
404.16074	6.0
412.16714	1.8
414.13495	0.6
414.18246	4.5
416.16083	15.2
417.16470	1.1
422.16870	1.7
428.15897	2.6
429.16559	1.0
430.17947	2.4
431.18500	0.6
440.16098	6.4
446.17126	6.8
447.17746	0.7
458.17111	21.4
459.17453	0.5
460.18201	0.5
478.19669	2.8
482.52417	0.5
487.17276	0.9
490.19830	6.5
541.24396	0.9
551.23010	0.8
565.24463	0.7
567.25854	1.4
569.23853	3.3
583.25525	1.2
593.23920	3.2
602.21436	1.5
608.22424	1.0
611.25049	100.0
612.25159	4.1
620.22241	3.7
643.27649	19.3
644.27997	1.1
737.29053	0.7
755.29486	2.3
767.04205	0.5
773.30200	5.7
774.02002	0.5
805.34174	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	22.4
59.04991	6.7
61.02908	6.2
65.03912	2.1
67.05508	100.0
68.75313	1.9
69.03415	9.0
69.07072	13.8
71.01308	2.3
71.05000	11.5
71.52348	3.8
73.02901	4.1
79.05492	40.6
81.03421	77.6
81.07057	51.4
83.04987	22.7
83.08621	38.8
85.02906	34.1
85.06531	6.2
87.04449	6.5
91.05490	55.4
93.07048	37.6
95.04976	32.8
95.08611	25.8
97.02891	7.7
97.06527	6.2
97.07400	2.3
97.10178	13.6
105.07040	33.3
107.04955	11.8
107.08604	16.4
109.06512	9.9
109.10162	60.6
111.04436	4.5
111.08087	17.5
113.05995	3.3
117.07024	4.4
119.08579	27.9
121.10135	14.2
123.08086	3.5
125.09666	14.1
129.05458	5.2
129.07004	15.2
131.08585	16.6
133.06462	5.0
133.10144	10.1
135.08090	2.6
135.11740	4.1
137.09616	5.2
142.07803	4.9
145.10091	9.2
147.08006	5.3
147.11717	18.6
149.09637	10.7
152.93579	2.4
153.12799	4.0
155.10733	3.2
157.10143	16.8
163.11186	11.4
173.11758	16.3
175.11156	17.9
181.12161	5.3
186.92522	2.4
191.10619	5.1
193.12259	61.1
199.13261	6.7
209.11786	6.0
211.13298	87.0
227.12744	9.8
229.14363	54.1
249.14853	2.4
267.15900	27.2
283.15326	8.2
285.16962	75.9
301.16434	14.8
333.97052	2.2
399.23825	28.5
409.25995	3.0
421.25952	15.1
427.26874	4.5
439.27014	49.0
475.27002	2.3
493.28000	8.4
511.28830	9.1
529.29956	3.0
609.36389	48.2
645.63818	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	806.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	19.6
59.05008	2.0
61.02924	3.6
65.03932	4.2
67.05506	79.5
69.03433	11.5
69.07071	32.4
70.80077	1.6
70.80396	1.8
71.01355	2.1
71.04996	10.3
79.05493	67.3
81.03419	100.0
81.07056	74.9
83.04988	13.5
83.08156	2.7
83.08620	37.7
85.02917	7.2
85.06535	7.0
87.09081	1.3
91.04906	2.4
91.05481	59.0
93.07042	59.1
95.04970	40.8
95.08610	33.7
97.02904	6.8
97.06533	17.7
97.10161	24.4
99.08086	3.7
105.07033	51.8
107.04969	18.8
107.08588	43.2
109.02861	2.6
109.06509	10.6
109.10155	21.3
111.04427	4.4
111.08076	11.7
111.49968	1.5
113.06029	1.4
115.05461	3.1
117.07017	22.1
119.04971	3.2
119.08585	38.9
121.06507	11.2
121.10141	21.6
123.04432	3.1
123.08070	8.4
123.11701	5.5
125.09631	18.4
127.03928	2.6
128.06259	2.6
129.07004	18.0
130.07823	1.6
131.04929	2.0
131.08568	32.7
133.06461	5.5
133.10130	30.4
135.08067	8.5
135.11674	15.5
137.09598	5.1
141.06998	2.8
142.07774	3.0
143.08546	7.9
145.06470	5.6
145.10110	17.8
147.08067	7.0
147.11699	19.9
149.09627	18.9
149.13293	9.0
151.07607	1.7
151.11191	4.7
153.09174	3.2
155.08548	4.3
157.06471	2.3
157.10139	20.4
159.08032	2.1
159.11707	11.8
161.09621	4.9
161.13278	4.4
163.11205	9.9
165.12816	4.1
167.08582	2.6
169.10138	4.1
171.08096	2.2
171.10365	2.4
171.11684	6.6
173.09665	3.5
173.11853	2.3
173.13303	4.8
175.11203	13.2
175.14806	2.1
177.12724	5.1
179.14346	1.5
181.10115	3.2
181.12234	3.5
183.11684	3.9
185.09624	1.7
185.13278	3.2
187.11147	3.5
187.14848	1.6
189.11223	12.6
189.12718	3.0
193.12238	28.3
195.11763	1.8
195.13803	5.1
197.13232	3.9
199.14822	1.5
201.12677	3.0
207.11794	1.4
207.13802	1.3
209.11636	2.0
209.13402	1.7
211.13242	5.0
213.12752	1.5
215.14227	2.7
217.15726	2.2
221.13303	1.5
221.15315	1.5
223.13240	3.2
227.12743	18.9
227.14870	1.8
229.14339	5.1
229.19647	1.6
231.13857	1.6
233.15508	1.4
235.13225	1.7
239.18005	2.3
245.13747	1.6
247.20682	1.6
249.14873	2.8
253.14302	1.9
255.15865	11.4
257.18936	4.7
267.15918	90.4
268.16409	1.5
269.17490	19.5
273.15085	1.6
273.18417	3.0
275.20035	23.2
283.15442	2.1
291.19608	4.4
293.21140	1.8
297.22009	1.6
299.20068	2.4
301.14108	1.9
315.23132	1.9
317.20828	1.7
331.22656	1.6
347.22021	1.6
349.23779	24.3
351.23071	3.1
355.22620	1.4
365.23380	1.9
367.24805	3.0
369.24146	4.5
373.23840	1.6
375.17847	1.5
387.24902	2.7
417.26324	1.6
419.24188	3.0
421.25775	6.3
431.29160	2.0
435.27359	1.5
437.24747	2.9
443.28021	8.4
447.27344	29.1
448.27249	1.7
449.30362	4.8
459.27408	1.8
461.29010	78.1
467.31500	4.4
477.28061	2.4
479.30170	2.2
493.31702	13.8
501.31836	4.2
523.33899	4.1
541.35272	76.4
542.35321	1.9
559.36267	27.2
573.37500	2.4
587.32092	2.3
591.38593	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	806.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.9
57.07079	0.9
60.23940	0.6
65.03948	2.0
67.05511	34.0
69.03421	1.3
69.07069	15.4
69.24282	6.4
71.04993	1.2
71.56792	0.6
77.03895	0.7
77.48671	0.6
79.05021	0.6
79.05497	27.8
81.03420	3.4
81.07063	41.2
83.04995	3.6
83.08620	5.4
85.06547	1.9
90.44449	0.7
91.04910	1.4
91.05486	28.8
91.21713	0.6
93.05021	0.5
93.07053	28.3
93.07645	1.4
93.40806	0.6
95.01334	3.1
95.04973	4.2
95.08615	27.7
97.02954	0.8
97.06535	6.8
97.10197	2.1
98.20794	1.1
105.04532	0.8
105.07041	29.8
107.04980	5.9
107.08604	16.1
109.06531	4.8
109.10163	9.5
111.08102	2.7
117.07023	8.2
119.08587	17.5
121.06507	1.5
121.10153	11.5
123.08115	3.3
123.11708	2.5
129.07030	1.5
131.08585	11.7
133.10146	17.6
135.08122	1.5
135.11716	6.8
137.09619	1.5
137.13261	0.9
143.08603	2.0
145.06413	0.9
145.10126	9.3
147.11713	7.1
149.09636	2.1
149.13295	2.2
155.08565	1.0
157.10130	1.7
159.11685	5.7
161.09641	0.7
161.13275	2.6
163.11275	1.3
163.14903	1.1
165.12753	0.8
169.10112	0.9
171.11678	1.4
171.64240	0.7
173.13321	2.5
175.11311	0.9
175.14862	0.8
177.12883	1.1
179.14346	3.3
184.07230	1.0
185.13304	0.9
187.14874	0.8
189.10342	0.7
201.16376	0.9
203.14514	0.9
219.17470	25.0
229.19409	0.7
229.29169	0.7
239.17966	1.2
247.20468	1.2
257.19012	1.8
261.22205	0.9
262.24854	0.7
275.20084	23.4
293.21027	1.7
335.25812	62.5
349.23737	15.1
500.29309	0.8
528.47345	0.7
583.16254	0.7
609.45190	100.0
610.45404	3.4
724.55713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	7.0
61.02939	3.8
67.05506	26.8
69.07073	7.6
71.34449	3.0
71.34795	4.6
79.05511	22.1
81.06651	3.9
81.07067	36.3
83.08623	3.8
85.02895	4.2
91.05458	15.5
93.07044	32.4
95.08607	23.4
97.14859	3.0
97.65855	2.6
100.69457	2.9
105.07031	10.4
107.08606	13.2
109.10178	8.5
117.07025	3.1
119.08549	10.7
121.10154	13.5
128.42859	2.8
131.08562	7.5
133.10181	4.5
135.11711	5.9
139.11154	3.0
145.10101	3.7
147.11644	4.0
149.13286	3.7
149.18608	2.6
159.11710	4.2
173.13298	4.7
175.14835	3.0
180.48225	2.9
243.21231	2.7
261.22229	13.6
304.26447	3.6
335.25812	100.0
337.27466	4.7
402.89142	2.8
409.21890	3.6
524.11774	3.3
595.47028	15.6
613.47986	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	808.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	20.4
58.50555	4.5
64.82366	4.9
67.05508	100.0
69.07067	35.3
69.31635	43.5
79.05499	76.0
81.07061	83.7
83.08616	13.4
91.05490	77.6
93.07050	95.6
95.04964	10.6
95.08615	67.9
97.06527	6.6
105.07034	69.5
107.08606	55.9
108.12052	5.5
109.06516	6.2
109.10170	36.0
117.07005	22.1
119.08588	62.1
121.10148	42.8
123.11718	5.4
125.18010	5.3
129.06999	6.7
131.08578	31.6
133.10130	47.0
135.11682	36.1
143.08545	8.0
145.10126	25.3
147.11674	37.1
147.64194	6.0
149.13249	16.2
157.10095	13.9
159.11665	29.3
161.13271	27.8
163.14842	9.0
171.11737	11.3
173.13246	15.8
175.14833	8.9
185.13271	12.1
187.14790	7.1
230.92044	5.0
241.19527	19.0
259.20572	62.6
261.22144	13.9
266.63272	5.0
283.15552	5.0
333.24200	48.5
335.25851	81.9
337.27084	6.5
394.04755	4.7
519.41443	7.6
593.45697	11.2
611.46643	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	808.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67450	2.3
57.03443	13.3
57.07069	5.2
61.02905	2.1
65.03947	5.0
67.05511	100.0
67.53076	2.0
69.03416	3.5
69.07076	29.8
69.87216	1.9
71.02139	5.1
71.04973	4.0
79.05499	79.6
81.03425	2.7
81.06602	5.0
81.07066	92.5
83.04988	3.3
83.08613	13.3
85.06523	3.0
91.03925	3.1
91.05488	83.5
93.07050	99.6
95.04935	7.6
95.08611	71.3
97.02901	2.5
97.06506	5.8
97.10166	4.7
99.08097	4.1
103.05474	3.5
105.04508	4.6
105.07040	81.5
107.08606	50.3
109.10159	24.6
111.08049	2.7
111.11806	2.1
117.07011	23.8
119.08588	65.7
121.10152	43.8
123.08025	3.7
123.11696	8.5
125.09642	3.5
128.06245	4.3
129.06975	15.8
131.08578	34.5
133.10141	52.2
134.98286	2.0
135.08127	2.5
135.11690	26.5
135.83142	2.3
137.09637	3.2
143.08586	14.1
144.09357	3.9
145.10130	34.8
147.11700	39.0
149.09596	2.6
149.13248	19.1
155.08528	4.6
157.10139	12.8
159.11711	34.9
161.13255	30.4
163.11194	4.3
163.14822	6.7
169.10143	5.4
171.11719	17.1
173.13249	17.2
175.14850	10.7
177.12750	3.2
181.10100	2.3
183.11705	4.5
185.13322	12.6
187.14803	6.9
197.13261	2.8
199.14816	8.7
201.16223	2.5
204.87338	2.1
211.14760	2.2
213.16360	3.9
215.17981	2.4
231.21075	8.1
241.19553	22.9
243.21135	5.3
257.19061	9.4
259.20609	71.2
261.22162	11.6
315.23193	3.1
331.22714	3.6
333.24261	56.5
335.25861	83.8
337.27386	3.3
519.42072	5.9
593.45966	11.2
611.46735	59.8
612.46167	3.1
680.50635	2.6
737.49170	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	811.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
57.68470	0.6
59.04998	1.1
61.02939	3.8
67.05514	5.2
68.37038	0.6
69.03438	3.4
69.07081	2.1
70.75780	1.8
71.05006	2.5
73.02927	2.8
78.73625	0.6
79.05511	7.2
79.05938	1.1
81.03427	5.3
81.07066	6.6
83.04992	1.7
83.08654	1.2
85.02917	4.8
87.04492	1.0
91.03979	2.0
91.05497	6.9
93.07051	5.7
95.04990	1.7
95.08634	3.8
97.02910	4.9
97.06556	1.0
99.04447	0.8
101.02428	2.1
105.07040	4.2
107.04982	1.1
107.08633	2.3
109.10187	1.0
117.07036	1.8
119.08614	2.5
120.63584	0.6
121.10186	2.0
123.08233	0.5
127.03957	1.7
129.07034	2.3
131.08630	2.2
133.10194	1.8
135.08092	0.9
135.11749	1.1
135.95366	0.6
137.05977	0.6
137.09706	0.7
143.08592	0.9
145.10175	1.6
147.11739	2.3
149.09666	2.2
149.13304	0.7
151.07666	0.9
156.49161	0.6
157.10211	1.9
159.11678	0.8
171.11739	1.6
175.11234	0.8
184.07521	0.7
185.04221	0.7
186.52805	0.6
193.12321	1.6
203.05383	0.9
207.13918	2.1
212.79051	0.6
243.08507	3.5
281.17685	2.6
283.15140	3.0
324.51410	0.6
333.20514	2.1
339.17960	1.3
439.19684	1.2
453.20844	0.9
469.20273	1.2
487.30814	3.0
501.23108	13.0
551.28339	7.5
603.78113	0.7
641.31335	1.1
721.38043	1.9
725.36871	0.7
811.44537	100.0
812.45007	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	811.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.1
61.02928	5.6
66.92183	0.7
67.05512	4.9
69.03434	3.3
69.07075	1.9
69.31764	7.0
71.05005	0.9
73.02930	4.0
79.05488	4.7
81.03423	1.4
81.07060	5.4
83.08628	1.4
85.02901	5.3
91.03962	4.3
91.05487	2.9
93.07047	4.8
95.08616	4.4
97.02906	4.6
97.10226	1.0
101.02393	1.8
101.16176	0.7
105.07047	3.1
107.08613	2.6
109.02929	0.9
109.10180	2.0
119.08596	1.4
121.10165	2.1
127.03941	1.5
131.08560	0.8
133.10181	1.7
135.11679	1.2
145.10120	1.1
147.11784	0.9
162.38719	0.8
205.91977	0.8
243.08490	2.5
273.15027	0.8
315.19330	4.7
318.14398	0.8
512.76917	0.8
519.29370	7.3
533.27167	4.9
811.49689	100.0
812.49567	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	814.495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.5
57.07074	0.7
61.02929	7.6
67.05505	4.0
69.03432	18.5
69.07081	4.8
70.06589	0.7
70.68475	0.8
71.04996	2.8
71.52686	0.9
73.02926	3.2
76.42376	0.9
79.05495	3.4
81.03424	9.2
81.07072	8.8
83.01332	0.8
83.08629	3.0
85.02909	100.0
87.04472	1.8
89.79240	0.7
91.03970	4.3
91.05493	4.7
93.07056	7.0
95.05030	0.9
95.07999	0.9
95.08613	19.1
97.02895	31.4
97.06557	1.2
97.10175	2.0
98.06036	1.5
99.04460	4.3
103.03976	0.8
105.07031	6.3
107.08609	15.1
109.02885	9.8
109.10162	9.3
111.08113	1.1
115.03946	1.1
117.07022	1.2
119.08584	12.5
121.10153	12.7
123.08045	1.1
123.11739	2.6
127.03922	25.7
129.07054	0.9
131.07712	0.7
131.08607	2.7
133.10149	12.3
135.04457	0.8
135.08083	1.6
135.11694	7.6
135.46672	0.9
137.05995	1.5
137.13284	1.4
144.06602	3.5
145.04968	38.2
145.10152	6.5
147.11693	10.9
149.13266	9.2
151.07544	1.1
153.09178	1.1
159.11726	5.5
161.13251	7.4
162.07680	1.2
163.03886	1.9
163.06018	12.1
163.11197	3.3
163.14838	8.9
173.13249	2.5
175.14845	9.0
177.12860	1.6
177.16394	13.2
179.14293	1.4
180.08737	1.6
183.08160	0.8
185.13399	1.1
187.14835	7.4
189.14619	1.0
189.16386	29.6
191.17937	6.2
201.16426	7.4
203.17964	38.2
205.15883	26.2
205.19496	1.2
207.17447	21.8
213.16479	1.8
215.17982	3.8
217.19685	1.7
219.17639	1.1
221.19006	1.0
223.16870	1.1
228.82838	0.8
229.19510	1.1
235.16995	2.2
236.32735	0.8
243.20888	0.8
247.17136	1.6
249.18478	8.4
259.17215	0.8
289.09302	0.8
312.35901	0.7
324.13043	2.7
325.11349	1.8
391.33429	3.9
409.34665	77.0
410.34924	1.0
424.02603	0.8
425.34253	1.7
427.35669	8.9
437.34253	20.3
455.35306	13.6
473.36435	2.8
776.98340	0.9
814.42615	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	818.562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	23.4
57.06792	3.0
57.07077	58.5
61.02912	4.1
67.05505	54.8
69.03425	20.6
69.07072	50.0
70.17874	9.8
70.55908	2.4
71.04987	23.0
71.08636	46.2
73.02919	5.3
79.05492	45.5
81.03412	21.3
81.06591	4.0
81.07056	65.7
83.04985	12.4
83.08619	14.6
85.02905	12.4
85.06532	5.3
85.10184	19.3
87.04448	3.1
89.06026	22.2
91.05482	37.8
93.07044	38.1
95.04958	12.3
95.08604	49.9
97.02895	16.1
97.06530	97.1
97.10175	8.5
99.04472	4.3
99.08094	5.2
105.07022	28.5
107.04937	8.6
107.08591	23.2
109.02845	4.2
109.06528	20.4
109.10176	24.3
111.08063	9.7
113.06001	3.6
115.07578	28.7
117.06265	3.0
117.06969	14.2
119.08585	18.4
121.06514	7.1
121.10118	9.8
123.08067	6.7
123.11717	6.2
127.03896	8.2
129.06995	10.5
131.08575	15.4
133.06517	5.2
133.08583	10.5
133.10107	14.2
135.08075	11.8
135.11667	6.1
137.13223	2.2
143.08568	7.4
145.04939	2.9
145.10141	10.4
147.08049	6.1
147.11697	5.4
149.09631	4.3
149.13231	7.2
151.11172	4.2
157.10115	5.0
159.11700	10.6
161.09656	6.7
161.94647	2.4
163.11148	4.1
169.10124	2.6
171.11723	4.5
173.04459	12.3
173.09592	2.8
173.13324	2.6
175.11122	4.2
177.12773	5.4
185.13190	2.6
189.11221	3.0
189.12793	2.3
195.13889	4.7
217.15863	13.2
222.44560	2.1
227.17758	2.3
233.15353	6.4
239.23653	3.3
241.10730	2.5
245.19031	4.5
253.14314	7.2
255.17549	2.5
269.17480	24.0
273.18494	39.9
285.22385	2.6
291.19501	18.3
307.19110	4.0
309.20920	2.9
313.27374	100.0
347.22177	16.2
365.23166	15.1
369.29962	2.4
383.24161	2.9
493.38882	6.9
507.40463	41.7
508.40482	2.5
535.39935	4.8
545.41882	5.4
546.47467	2.5
585.44690	7.8
603.46094	29.7
621.47693	10.2
692.09241	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	819.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.2
60.37840	0.2
61.02914	0.5
67.05453	0.3
69.03439	1.0
69.75367	0.9
71.04977	0.5
71.95240	0.5
73.02879	0.3
74.97614	0.3
79.05496	0.3
81.03394	0.5
81.07011	0.3
84.16159	0.2
84.95593	0.3
84.96037	2.8
85.02454	0.2
85.02905	3.8
86.03211	0.2
87.04440	0.2
91.05466	0.4
97.02908	1.4
98.97585	26.0
102.97026	0.2
105.00147	0.9
107.04913	0.2
109.02826	0.4
110.97568	1.0
112.17738	0.2
116.98626	8.7
119.04932	0.2
121.06500	0.3
123.01167	0.8
127.00658	0.4
127.03912	1.3
128.98596	1.0
132.99609	0.8
134.99643	1.9
137.06007	1.6
139.00636	0.4
140.00209	0.3
141.02193	0.4
143.00125	0.2
143.01881	0.3
145.01701	0.4
145.04948	1.2
146.99631	0.5
147.01201	1.1
147.04414	0.4
151.00691	1.8
153.02220	0.5
155.01849	0.2
155.06979	0.2
157.01703	0.4
158.99664	11.9
159.01038	0.8
160.99084	0.5
161.01286	0.2
161.02853	0.7
163.00642	0.7
163.03932	0.8
165.02277	1.1
165.99362	0.4
167.00073	0.4
167.06931	0.3
169.00293	0.3
169.01697	1.7
170.99638	0.9
171.03334	0.4
173.01236	0.3
177.00685	8.0
177.02223	7.1
179.00165	2.5
179.03760	1.4
180.05417	0.3
181.01785	1.3
182.99635	0.9
183.03252	0.3
184.00412	0.4
185.01231	0.4
187.00719	0.3
187.02670	0.5
187.04330	0.2
189.00697	0.9
189.05965	0.3
191.03963	0.3
192.00108	0.4
193.01753	0.7
193.04944	0.6
194.99629	0.5
195.03304	9.0
197.01245	4.6
197.04884	1.0
197.06419	0.2
199.02739	0.5
200.02286	0.4
200.04401	0.2
201.00670	1.4
201.04419	0.2
202.01584	0.2
203.00108	0.5
203.02296	0.2
204.00175	0.6
205.01740	2.2
207.05057	0.2
209.01224	0.3
211.02873	0.5
211.06067	0.5
212.00018	0.2
213.00700	0.9
213.04436	1.2
214.95354	0.2
215.02284	1.6
215.05823	0.4
218.99780	0.3
219.01758	3.6
221.01228	3.3
222.01233	1.0
223.02774	8.7
223.04944	0.4
224.03346	0.2
225.06116	0.5
227.02209	0.2
228.01184	0.2
229.03911	0.4
231.01804	0.5
234.01245	0.3
237.02785	0.9
239.02263	8.0
239.05862	0.3
240.02533	0.2
241.03839	6.6
243.01765	0.7
244.04340	0.4
246.99275	0.3
249.00565	4.1
249.06180	0.3
257.03299	3.4
257.08548	0.8
257.58768	0.3
259.04947	0.9
261.02814	0.7
265.00229	2.9
265.03619	1.8
267.01718	7.5
273.02802	1.2
276.02341	0.2
277.03384	0.3
279.04172	0.3
281.03299	0.3
282.03400	0.7
283.01251	6.4
283.04803	1.4
285.02814	67.9
286.03159	1.1
287.79138	0.2
290.03400	0.3
293.04971	0.3
299.04358	0.4
301.02402	0.3
301.06046	0.4
302.06036	0.3
303.03867	81.9
304.04147	1.0
305.04230	0.7
308.04416	2.0
309.02762	16.1
309.15143	0.3
310.03088	0.2
311.06314	1.3
317.05530	0.5
321.04910	1.1
325.02487	0.3
325.05936	0.3
326.05569	1.4
327.03867	100.0
328.04236	1.6
339.04053	0.3
341.05508	0.9
345.04926	13.6
346.04941	0.3
347.61859	0.2
350.05472	3.9
353.07114	0.5
369.04935	28.6
370.05557	0.3
385.13266	0.5
387.05963	6.9
410.07410	0.5
428.14658	0.4
428.64758	0.4
429.07040	41.4
429.57169	1.3
430.07510	0.9
431.10489	0.3
435.11606	0.3
447.08087	39.0
448.08521	0.8
451.87885	0.2
461.10229	0.3
470.09818	3.1
471.08078	0.4
473.10950	0.3
489.09146	6.2
519.09991	0.3
549.11395	1.0
569.12024	0.3
591.12048	1.0
609.13422	0.3
613.14404	7.7
614.15216	0.2
639.12207	3.2
819.18640	10.2
820.19012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	12.3
57.07075	3.3
59.04995	4.4
65.03940	3.3
67.05508	63.2
69.03421	7.4
69.06724	2.3
69.07069	19.2
69.95526	8.5
71.05009	3.0
75.53617	2.2
79.05497	66.9
81.03436	3.0
81.07061	59.3
83.04977	4.2
83.08157	3.2
83.08622	37.3
91.05488	57.5
93.06490	4.1
93.07051	61.0
95.04956	3.8
95.08614	43.6
97.10180	70.4
98.21537	2.6
99.08073	2.3
105.04543	2.1
105.07040	19.3
107.04929	3.6
107.08600	53.2
109.06543	3.5
109.10157	16.5
111.08121	4.5
112.59513	1.7
115.05491	4.6
117.07024	41.0
119.08591	70.4
121.06517	3.0
121.10164	16.0
123.11687	4.4
125.09638	62.2
128.06248	3.1
129.07008	4.7
131.08571	15.5
133.06503	2.2
133.10144	8.8
135.08067	17.1
135.11729	12.5
141.06975	3.6
143.08556	9.1
143.10641	3.0
145.06488	31.1
145.10158	10.7
147.08052	8.3
147.11665	5.2
149.13246	6.1
153.09126	5.4
153.12761	2.1
155.08537	5.1
157.10101	4.8
159.08093	13.8
159.11690	5.4
161.09653	3.1
161.13258	3.5
163.07478	2.1
163.14815	3.1
164.77577	2.0
171.10197	4.9
173.09612	4.9
173.13341	3.0
187.02925	2.7
187.14793	3.4
189.11211	37.0
189.12769	3.4
215.98994	2.1
225.16232	2.6
227.10547	3.9
227.12788	77.6
243.17532	3.3
243.21112	6.3
245.13737	2.9
253.15927	4.3
261.22177	24.4
271.16949	61.3
273.18613	2.7
289.17987	23.5
317.24622	6.6
333.46353	2.0
335.25824	68.8
345.20691	13.5
363.21655	24.8
445.12967	2.3
487.34033	7.7
505.35162	44.8
605.42017	41.7
623.43018	100.0
624.43085	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	820.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	24.8
71.43633	10.0
75.62236	6.2
79.05487	7.2
81.07054	28.6
93.07056	17.7
95.08612	28.7
105.07013	8.7
107.08612	10.1
109.10181	8.6
119.08563	11.3
121.10165	13.2
125.00025	6.4
130.43097	5.7
131.08559	8.5
133.10129	9.0
135.11699	9.8
147.11740	8.4
173.98404	6.8
184.07323	7.7
194.07130	6.5
261.22122	19.8
317.24597	7.1
333.24347	8.2
335.25781	100.0
337.27188	7.1
446.46039	7.6
468.64725	6.3
595.46893	13.1
613.48584	7.4
615.61621	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	28.2
61.02909	4.2
65.03936	3.7
67.05186	5.5
67.05510	79.3
69.03431	16.6
69.07072	50.4
71.01341	4.2
71.05000	22.9
71.52151	6.3
73.02909	7.6
79.05077	5.6
79.05501	87.8
81.03423	97.9
81.07060	75.4
83.04990	14.5
83.08623	32.4
85.02886	18.4
85.06544	8.9
87.81119	2.6
91.05489	59.4
93.07050	64.3
95.04981	49.8
95.08623	41.6
97.02889	14.6
97.06535	100.0
97.10165	13.0
99.04439	6.2
99.08097	5.8
103.05508	3.4
105.07037	48.5
107.04943	19.9
107.08605	45.7
109.02862	5.2
109.06534	29.8
109.10180	17.0
111.04416	8.8
111.08113	16.0
113.06033	2.9
114.66973	2.8
115.07574	24.4
117.07040	29.8
119.04942	4.3
119.08588	39.4
121.06512	14.7
121.10151	29.2
123.04486	4.3
123.08072	13.1
123.11687	5.3
125.09622	13.8
127.03943	6.9
128.06233	5.8
129.05447	3.3
129.07013	23.0
131.08568	33.4
133.06465	12.1
133.10127	30.9
135.08090	19.7
135.11687	13.7
137.05946	4.2
137.09625	7.8
139.07564	3.0
139.11203	3.4
140.94284	2.8
141.06949	5.1
142.07797	7.7
143.08571	18.2
145.06517	7.1
145.10159	18.6
147.08090	14.4
147.11717	15.4
149.09613	14.0
149.13258	7.3
151.11206	8.1
153.05449	3.4
153.09123	3.6
155.08521	8.2
157.10139	23.7
159.08038	11.1
159.11702	12.4
161.09616	10.1
161.13203	4.5
163.03979	5.3
163.11180	11.6
165.12753	4.6
167.08551	4.1
169.10143	5.9
171.08107	3.4
171.11717	9.1
173.04500	5.2
173.09563	5.1
173.13240	7.3
175.11185	13.7
177.12744	7.5
181.10167	4.8
183.11647	4.6
187.11105	7.2
189.11159	7.8
193.12291	24.8
195.11934	4.2
195.13809	6.5
199.14868	6.7
201.12741	4.5
203.10526	3.2
211.13254	4.5
217.15865	11.7
227.12779	10.1
233.15263	3.5
245.19038	4.5
253.14384	7.4
267.15948	71.8
269.17487	19.6
271.17056	6.5
273.18497	24.1
291.19522	15.3
295.94843	2.9
299.18375	4.4
307.44406	3.2
313.17841	3.3
347.22159	14.7
351.23486	3.5
365.23203	13.5
369.24356	6.2
421.25690	5.5
443.27905	11.2
445.29407	5.4
447.27966	16.4
458.54056	3.3
461.28989	54.8
463.30746	8.5
465.30133	8.3
471.27652	5.0
473.28967	3.4
483.31009	6.3
487.30508	9.9
493.31595	16.7
499.30609	9.2
517.31622	3.4
539.33881	27.3
557.34662	51.4
575.35669	33.1
589.37189	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	822.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	11.0
65.03934	4.3
67.05511	86.1
69.07066	21.3
69.73717	4.9
69.74116	11.7
71.04981	4.2
79.05499	66.6
81.03420	5.4
81.06599	5.6
81.07062	89.1
83.04994	26.0
83.08614	7.1
85.06551	4.5
91.05489	63.8
93.07051	73.9
95.04967	13.1
95.08607	43.3
97.06522	6.1
97.10164	4.6
105.07038	48.6
107.04966	6.7
107.08601	48.5
109.06512	8.7
109.10166	63.5
111.08089	4.7
115.05367	2.7
117.07001	10.8
119.08594	25.0
121.06471	6.3
121.10146	18.8
123.08065	4.7
123.11700	9.6
129.06952	3.9
131.07817	2.3
131.08586	20.9
133.06471	4.7
133.09137	3.3
133.10133	63.2
135.08055	8.0
135.11681	16.4
137.09605	3.2
143.08549	4.8
145.10117	13.1
147.11690	8.6
149.09641	6.4
149.13248	6.2
151.11194	25.2
157.10078	2.8
159.11662	9.0
161.09610	5.7
161.13258	6.8
163.11229	2.9
169.12224	8.2
171.11751	2.6
173.13246	5.0
175.11142	3.3
175.97987	2.4
185.13326	3.4
215.12793	3.0
220.12996	2.3
227.17972	2.5
243.21188	2.8
245.18930	2.8
253.14365	85.5
255.17378	3.9
259.20575	4.2
261.22031	11.7
273.18454	21.4
291.19534	23.6
333.23947	3.1
335.25827	100.0
347.22113	8.0
365.23279	39.8
417.29898	3.6
513.35748	6.4
531.36823	37.0
607.43542	10.4
625.34662	3.9
625.44629	74.6
626.44775	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	822.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	6.6
57.07082	1.4
59.05008	1.0
59.53927	0.8
64.35693	1.0
65.03929	2.6
67.05508	39.1
67.19300	0.9
69.03398	0.8
69.07071	28.3
69.15048	9.6
71.04998	2.8
78.75023	0.9
79.05495	41.7
81.03416	6.3
81.07062	48.4
83.04974	4.9
83.08633	7.1
85.06550	2.7
91.05486	64.6
93.07050	41.6
95.01324	6.6
95.04953	7.0
95.08614	32.2
95.09075	0.6
97.06537	18.0
97.10175	3.9
98.21495	1.5
99.08069	1.2
103.05518	1.4
105.04527	1.6
105.07037	81.6
107.04960	12.4
107.08604	21.8
109.06518	3.5
109.10157	8.7
111.08079	1.6
113.09647	1.5
114.17408	0.9
115.05441	1.7
117.07027	18.0
119.08587	47.8
121.06502	2.1
121.10139	12.3
123.04436	1.6
123.08066	3.5
123.11739	1.2
125.09602	1.4
127.91949	0.9
128.06242	1.6
129.07022	9.4
130.07727	1.2
131.08571	27.1
133.06499	1.3
133.10141	47.9
134.10449	1.2
135.08069	2.6
135.11691	12.4
137.09633	1.9
141.06992	1.3
142.07735	1.1
143.08560	6.7
145.06482	1.6
145.10127	21.1
147.08014	1.3
147.11694	28.2
149.09648	6.3
149.13234	7.3
151.11142	1.6
155.08577	3.1
157.10138	7.8
159.11708	13.3
159.23036	0.9
161.09656	1.9
161.13264	15.5
163.11197	3.1
163.14845	1.7
165.09149	1.5
165.12793	1.0
169.10112	2.7
171.11665	7.7
173.13333	5.4
175.14873	6.7
177.12729	4.2
179.14336	10.5
183.11688	3.3
185.13313	6.5
187.11183	2.9
187.14851	1.6
189.12749	1.3
197.13333	1.6
199.14822	2.3
205.12494	1.1
213.16324	1.3
217.19550	1.2
219.17403	2.9
231.21095	1.7
239.17976	2.3
241.19547	15.7
247.20613	1.0
257.18900	7.5
259.20575	24.2
275.20084	53.1
277.21683	1.6
279.16031	1.1
293.21194	3.4
313.21396	1.1
315.23227	10.0
331.22678	1.3
333.24240	57.3
334.24539	1.1
342.23709	1.0
349.23740	46.6
351.25214	1.5
437.33951	1.0
483.34464	1.3
511.37231	1.2
513.35376	1.6
551.41272	1.1
595.72644	1.0
607.43579	100.0
608.43799	3.1
625.44757	12.4
701.26361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	10.9
57.07065	3.1
61.02913	2.5
63.95021	1.0
65.03943	5.3
65.74191	1.0
67.05505	96.6
69.03433	5.8
69.07070	25.3
69.33698	2.5
69.34113	7.0
71.04994	5.8
77.03902	1.1
79.05495	64.3
81.03428	9.1
81.07057	87.9
83.04984	21.9
83.08625	10.0
85.02898	3.7
85.06535	4.5
86.09698	4.0
91.05483	56.9
92.05813	1.2
93.07047	70.6
95.01276	1.2
95.04966	11.9
95.08607	56.7
97.02883	4.6
97.06539	7.1
97.10163	4.8
99.04435	2.1
99.08084	2.6
103.05442	2.2
105.04549	1.8
105.07036	46.2
107.04949	10.1
107.08596	45.8
109.02881	1.2
109.06520	8.6
109.10159	46.5
111.04425	1.4
111.08068	3.5
113.06025	1.3
115.05454	1.5
117.07012	13.9
119.07810	1.8
119.08591	24.8
121.06497	7.4
121.10138	20.1
123.04372	1.6
123.08085	7.9
123.11716	9.5
124.99988	2.5
125.09624	4.2
127.07552	1.5
127.97844	1.0
128.06227	1.0
129.06973	5.5
131.08559	22.3
133.06516	6.6
133.10138	46.6
135.08061	10.0
135.11690	16.6
137.09602	4.2
143.08559	5.6
145.10133	12.8
147.08028	5.8
147.11687	7.9
149.09607	8.5
149.13290	6.2
149.14243	1.1
151.11183	18.2
153.12802	1.4
157.10124	4.7
159.08035	2.2
159.11722	8.8
161.09618	8.3
161.13258	6.1
163.11166	4.1
163.14810	3.1
169.10094	1.7
169.12215	3.7
171.11739	2.7
173.04555	1.3
173.13295	6.2
175.11197	5.9
175.14859	1.7
177.09067	1.6
179.10593	2.2
181.10107	1.5
183.11774	1.3
184.07346	11.1
185.09691	1.1
185.13283	1.0
187.11145	1.0
187.14877	2.5
189.12730	2.4
193.12210	1.1
197.13255	1.5
199.11241	1.8
203.11053	1.1
205.12167	1.2
215.12883	3.4
219.13934	1.4
223.13261	4.2
227.17892	1.2
231.17537	2.0
243.21078	3.6
245.19005	4.6
251.12872	2.1
253.14359	39.8
255.17455	2.6
259.20618	1.9
261.22134	12.3
263.20013	2.3
271.15396	1.4
273.18500	27.9
275.20120	2.5
277.21680	1.4
291.19556	43.2
293.17419	1.8
309.20569	3.1
317.24701	2.4
322.85736	1.2
329.21021	1.3
335.25806	97.9
337.27393	2.1
347.22156	12.3
349.23965	1.4
356.55228	1.2
365.23233	49.6
383.24152	1.9
401.71204	1.3
457.33502	1.5
513.35516	4.7
529.35254	1.6
531.36804	21.0
545.38586	1.2
607.43573	10.1
625.44666	100.0
626.44867	3.7
643.45520	1.6
822.50769	3.0
823.51093	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	822.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	10.5
57.07073	1.8
61.02921	0.8
65.03941	2.7
67.05508	60.1
69.03445	9.1
69.07072	28.4
71.04993	2.5
72.76725	0.8
79.05498	44.2
81.03426	4.7
81.07059	55.3
83.04971	4.3
83.08625	13.2
85.02901	1.9
85.06563	1.4
86.09700	1.1
91.05485	28.8
93.07048	44.5
95.04971	8.4
95.08612	37.0
97.02893	9.8
97.06544	5.3
97.10180	13.9
98.21519	1.2
105.04514	2.4
105.06329	0.9
105.07035	20.9
107.04977	5.8
107.08602	27.3
109.06490	4.1
109.09465	1.4
109.10164	15.8
111.04449	1.0
111.08051	2.1
115.05457	1.4
117.07020	9.1
119.04901	1.1
119.08598	18.3
121.06511	3.2
121.09328	1.3
121.10149	15.2
123.08059	3.3
123.11708	3.5
125.09634	9.9
128.06250	1.0
129.06992	2.6
131.08577	12.2
133.06512	3.2
133.10129	9.8
134.07283	1.6
135.08083	4.5
135.11685	11.1
137.09637	3.1
142.07773	0.9
143.08580	3.7
145.06541	1.0
145.10132	11.0
147.08040	3.8
147.11713	6.1
149.09622	1.8
149.13272	6.9
151.11171	1.6
153.09131	1.2
155.08580	1.3
157.10101	2.4
159.11725	5.0
161.09630	3.1
161.13264	2.5
163.11134	1.6
163.14830	1.9
165.09137	1.8
166.91957	0.8
171.10243	1.3
171.11653	2.0
173.13164	4.4
175.11174	2.0
177.12752	2.1
184.07399	3.2
185.13254	1.4
187.14824	0.9
189.11188	3.4
195.13760	1.7
205.12227	2.6
223.13292	22.1
227.12788	3.0
242.46355	0.8
243.21024	2.9
245.18976	1.0
249.14781	2.3
261.22159	8.5
263.20096	1.0
273.18521	13.8
291.19556	94.7
292.19806	1.4
317.24643	2.8
335.25815	96.5
336.26331	1.4
347.22067	1.9
365.23245	50.4
384.77621	1.0
423.20859	0.8
513.36060	1.1
545.38251	4.3
551.40234	1.5
588.63184	1.0
607.43176	3.6
625.44672	100.0
626.45056	4.0
808.63470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	7.7
59.49534	1.4
61.02929	1.6
65.03950	1.7
65.38367	1.3
65.63157	1.4
67.05506	48.5
69.03408	3.5
69.07073	16.9
70.91050	1.5
71.04972	3.9
73.02921	1.9
79.05496	39.4
81.03412	2.6
81.06596	2.7
81.07059	47.0
82.18416	1.5
83.04971	4.9
83.08640	10.2
83.88660	1.4
85.02892	2.7
91.05484	47.3
93.06493	2.4
93.07046	36.9
95.04960	4.5
95.08612	37.3
97.02908	1.3
97.06541	6.8
97.10188	7.2
99.08093	1.5
103.05448	3.2
105.07035	34.1
107.04933	2.4
107.08610	20.7
109.06503	4.8
109.10170	12.5
115.05434	4.8
116.06236	2.8
117.07021	22.9
117.55955	1.3
119.04967	2.5
119.08582	26.5
121.06483	4.7
121.10150	12.3
123.08046	3.2
123.11693	3.4
125.09644	3.8
128.06224	11.2
129.07018	16.0
130.07768	4.7
131.07599	2.8
131.08574	48.6
133.06459	4.2
133.10135	12.2
135.08044	2.7
135.11708	7.5
135.25693	1.4
137.05922	1.2
137.09612	2.6
139.11157	1.5
141.06953	7.1
142.07730	2.9
142.43907	1.3
143.08563	47.8
144.08942	1.5
145.06427	2.4
145.10133	51.0
147.04413	2.9
147.08034	4.5
147.11646	6.7
148.39912	1.3
149.09628	2.6
149.13228	2.8
153.06985	1.9
154.07756	1.5
155.06058	1.5
155.08554	6.3
157.10138	15.4
159.08032	4.2
159.11694	10.5
161.09590	5.3
161.13248	3.8
163.11183	1.7
167.08548	2.2
169.10136	9.5
171.11714	9.0
173.13258	5.0
175.11192	3.0
181.10132	7.6
183.11678	6.2
185.13214	3.6
195.11671	9.9
197.13228	2.5
201.12871	1.9
207.14159	1.4
213.12727	2.7
227.18091	2.1
229.15314	1.4
237.16374	14.2
241.14278	1.9
255.17442	10.5
261.22171	4.9
271.16919	1.5
273.18478	37.3
329.21255	9.5
333.24091	2.9
335.25812	100.0
336.26093	3.2
347.22168	31.1
420.36426	1.8
578.84387	1.6
589.42340	2.0
607.43561	74.6
608.43915	2.2
625.44476	13.9
642.43842	1.8
643.97168	1.5
794.66681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	7.8
65.03935	3.8
67.05507	68.7
69.03422	5.4
69.07069	20.4
69.17861	12.4
69.18291	9.1
71.04991	6.2
77.03949	2.2
79.05074	3.5
79.05496	49.8
81.03416	5.1
81.06597	3.8
81.07060	73.5
83.04996	4.2
83.08617	10.9
85.06543	2.3
91.05482	85.3
93.06486	4.6
93.07044	62.0
94.07389	2.5
95.04968	6.4
95.08613	52.0
97.06528	9.4
97.10172	9.7
99.08081	5.0
103.05494	2.5
105.07034	61.9
107.04929	4.8
107.08603	29.0
109.06496	7.5
109.10158	15.5
111.08065	3.9
115.05456	8.8
116.06274	4.4
117.07024	42.3
119.04983	2.6
119.08592	40.3
121.06495	7.1
121.10143	23.4
123.08047	8.9
123.11703	6.1
125.09609	7.5
128.06209	26.9
129.07018	26.9
130.07777	10.5
131.08575	92.8
133.06464	7.8
133.10149	22.4
135.08052	4.0
135.11705	8.3
139.11200	3.5
141.07004	10.4
142.07820	6.3
143.08571	100.0
144.09319	2.3
145.06465	4.5
145.10130	95.7
147.08029	5.1
147.11664	12.8
149.09618	5.4
149.13206	3.9
150.92300	2.6
155.08549	10.0
157.10147	21.7
159.08069	5.3
159.11714	20.6
161.09576	11.4
161.13277	4.2
163.11209	7.1
163.14839	3.3
165.06972	2.6
166.07826	2.9
167.08578	4.4
169.10133	20.7
171.11702	19.0
173.13283	3.1
175.11157	2.7
177.12764	4.6
180.09337	4.0
181.10162	13.6
183.11647	10.4
185.13258	7.8
187.14922	3.0
187.30923	2.0
195.11696	19.2
199.11102	4.0
199.14856	3.0
201.14815	2.2
209.13310	3.5
211.14806	3.3
213.12807	3.2
227.12801	3.6
227.17952	5.3
237.16359	25.3
241.14336	4.8
245.19034	4.6
255.17482	27.1
261.22128	6.6
273.15488	3.6
273.18497	75.7
275.20255	2.5
290.18137	2.4
329.21118	11.5
335.25821	96.7
336.26035	5.0
347.22174	58.5
349.23770	2.6
514.24463	2.9
589.42352	3.3
607.43567	94.0
608.43542	2.5
625.44525	29.2
706.16040	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	4.3
65.03930	4.3
67.05509	81.7
69.03436	6.8
69.06736	2.5
69.07072	29.2
69.16707	3.2
69.17102	13.2
71.04973	3.9
73.02928	1.4
73.59521	1.1
74.94333	1.2
75.46680	1.3
77.03893	1.8
79.05497	69.7
81.03423	6.4
81.07060	83.6
83.04970	7.1
83.08617	16.0
85.02890	5.7
85.06535	5.0
91.05486	58.2
93.07047	76.3
93.07645	3.3
94.61533	1.2
95.04977	8.2
95.08612	58.7
97.02876	4.4
97.06537	10.8
97.10184	12.4
98.18854	1.6
99.08079	3.5
103.05463	2.2
105.04543	1.5
105.07040	37.4
107.04939	5.1
107.07883	2.6
107.08596	44.8
109.02834	2.7
109.06533	7.1
109.10160	29.9
111.08041	2.4
115.05482	2.3
117.07027	14.3
119.08585	36.5
121.06516	2.1
121.10152	26.5
123.08036	4.2
123.11703	8.7
125.09645	10.3
127.03934	3.5
128.06180	2.7
129.07001	6.3
131.08572	23.0
133.06503	1.4
133.10124	23.2
135.08047	4.5
135.11711	15.7
137.09621	3.4
137.13199	1.7
143.08563	7.6
145.10144	22.1
146.83119	1.5
147.11676	19.0
149.09599	9.3
149.13298	6.4
155.08569	3.5
157.10130	7.1
159.11711	17.5
161.09598	2.5
161.13290	5.8
163.11191	5.0
163.14848	2.9
165.12811	2.6
169.10133	3.5
171.11713	3.9
173.11877	2.4
173.13245	10.0
175.14856	3.4
179.14339	2.3
183.11690	4.8
185.13324	6.6
185.14696	1.3
187.14780	4.9
189.11209	7.8
195.11694	1.7
197.13264	3.6
199.14752	1.6
201.16464	1.6
217.15878	1.6
219.17448	4.0
227.12775	12.8
229.14301	4.2
229.19469	3.0
239.17888	3.6
243.21057	2.6
246.83461	1.3
257.19012	10.6
259.20569	3.3
261.22189	9.9
267.15909	3.7
269.17288	2.6
275.20081	41.4
293.21002	3.2
303.15979	1.7
317.24628	1.7
331.22577	5.9
333.24374	3.4
335.25803	100.0
349.23743	36.2
380.15469	1.6
461.31067	1.4
489.35748	14.0
505.35153	5.0
515.37427	2.8
529.38947	8.4
545.38300	2.7
555.40137	1.8
569.42090	2.0
609.45184	66.7
610.45789	1.7
627.46136	11.9
633.38550	1.5
824.51495	1.5
825.47906	5.3
853.86670	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	824.552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	2.1
61.02929	2.3
65.03934	5.9
67.05510	82.7
69.03425	5.7
69.07075	26.1
70.06592	5.1
71.04990	4.1
71.11945	3.4
77.03967	1.7
79.05499	76.1
81.03408	6.5
81.07061	85.1
83.04979	7.5
83.08624	21.7
85.02923	6.5
85.06551	4.5
91.05492	45.5
93.07048	70.8
95.04969	7.0
95.08618	44.9
97.02883	3.5
97.06536	5.6
97.10175	37.7
103.05444	3.2
105.07039	44.1
107.04952	4.3
107.08600	70.8
109.06522	6.1
109.10170	24.1
111.08096	2.4
113.06050	1.9
116.07101	8.5
117.07031	16.4
119.08594	32.5
121.06492	2.0
121.10150	24.5
123.08052	2.2
123.11694	7.1
125.09639	29.0
127.03933	2.3
129.07008	7.2
131.08589	22.1
133.10143	21.3
135.08070	4.3
135.11699	15.6
137.13228	1.8
139.11169	1.8
143.08588	8.5
145.10135	24.3
147.11707	20.8
149.09631	6.8
149.13271	8.4
153.09102	1.8
155.08542	1.8
157.10155	4.5
159.11714	14.7
161.13312	11.0
163.11191	3.5
163.14845	1.8
165.12764	1.9
169.10144	2.7
171.11732	5.7
173.13295	8.5
175.14732	2.9
183.11679	4.1
185.13252	5.1
187.14767	2.8
189.11205	17.5
189.12791	2.4
197.13313	3.0
199.14856	2.0
201.16415	4.1
203.14268	2.5
219.17424	3.4
227.12801	33.9
241.19595	2.2
245.13908	2.7
257.19009	7.5
259.20667	6.6
261.22144	10.9
275.20084	37.2
288.02408	1.6
331.22729	6.3
333.24173	6.9
335.25815	97.9
336.26126	2.8
349.23804	48.8
351.25375	4.6
389.17868	2.2
487.34467	2.4
505.35205	20.9
535.41821	1.9
555.40631	3.3
609.45178	100.0
610.45679	2.1
627.46088	17.9
649.38770	3.7
825.47534	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	824.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05021	1.4
61.02922	3.2
64.46248	0.8
65.03959	4.3
66.79405	0.9
67.05511	87.1
67.57272	1.2
68.40296	0.9
69.03439	6.7
69.07077	25.7
69.35692	2.9
69.36112	4.0
71.05000	4.4
73.02914	1.5
77.03947	1.3
79.05501	68.3
81.03426	8.9
81.07066	83.3
83.04997	8.1
83.08627	13.5
85.02905	4.3
85.06543	3.7
91.05489	46.1
91.07028	0.9
93.07053	69.5
95.04978	10.0
95.08614	56.6
97.02910	4.8
97.06545	8.9
97.10149	5.0
98.23967	1.0
99.04463	1.0
99.08102	2.5
105.04530	2.2
105.07040	35.1
107.04985	4.4
107.08604	37.3
109.02885	1.8
109.06523	6.2
109.09481	1.7
109.10171	25.3
111.04423	1.8
111.08094	4.7
113.09647	1.1
115.05467	1.9
117.07020	17.0
119.08592	26.1
121.06487	2.5
121.10153	26.3
121.15935	0.9
123.08077	3.3
123.11717	6.8
125.09599	3.3
127.03915	2.8
129.05521	2.2
129.07024	6.4
131.08580	23.7
133.06543	1.7
133.10136	21.3
135.08095	3.2
135.11702	19.8
137.06087	0.8
137.09602	3.6
137.13272	1.9
139.11179	1.5
141.06950	2.1
143.08626	4.3
145.10143	16.0
147.08052	1.6
147.11708	12.0
149.09610	7.3
149.13290	9.6
151.11203	1.1
155.08537	3.4
157.10141	6.1
159.11703	12.4
161.13258	5.5
163.11227	4.1
163.14842	3.2
165.09157	0.9
165.12798	1.6
169.10110	3.2
171.11751	5.7
173.04480	2.8
173.11853	1.5
173.13283	7.1
173.14403	0.7
173.19745	0.9
175.14841	2.9
177.12788	3.0
177.16426	1.1
179.14268	1.1
181.12198	1.9
183.11713	3.0
185.13370	4.8
185.14799	1.4
187.14848	3.8
189.16537	1.2
191.14276	1.2
195.13832	2.6
197.13258	2.6
199.14777	1.6
201.16443	1.3
211.14815	1.2
213.16466	1.4
215.14439	1.0
217.15833	2.1
219.17444	1.7
227.12776	4.2
229.14355	7.2
239.17992	2.5
243.21060	3.1
247.20688	1.4
255.15858	4.9
257.18933	7.0
259.20572	1.3
261.22168	12.4
267.15961	2.5
269.17511	16.6
275.20090	17.4
275.22842	1.8
291.19690	1.4
293.21091	1.8
299.23578	1.1
303.23120	1.0
309.20615	4.6
317.24792	2.3
331.22620	2.2
333.24191	1.6
335.25824	100.0
336.26086	2.5
349.23724	17.5
367.24829	2.0
419.24106	1.0
430.08749	1.1
437.34225	1.1
489.35721	5.3
513.39819	1.1
514.29303	1.0
515.37292	13.4
529.38947	47.3
530.38965	2.1
543.39941	1.8
569.42151	13.6
609.45197	24.8
627.46338	4.8
673.42749	1.3
771.50360	1.6
781.55731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	2.7
65.03932	3.1
67.05508	45.1
69.03433	1.9
69.07068	16.5
71.04995	1.5
71.52695	1.0
73.02941	1.2
77.03914	1.4
79.05498	43.6
81.03419	2.1
81.07060	41.2
83.04977	2.1
83.08634	7.2
85.02897	2.3
85.06543	2.2
91.03965	1.3
91.05486	46.4
93.07049	45.5
95.04987	4.4
95.08610	34.7
97.02888	2.0
97.06528	3.6
97.10173	3.5
103.05481	2.6
104.56821	0.7
105.04523	2.3
105.07037	46.3
107.04970	2.1
107.08601	26.1
109.06547	2.6
109.10164	13.7
111.08098	1.7
114.90765	0.7
115.05463	2.6
116.06277	1.2
117.07027	19.6
119.08588	34.0
119.19556	0.8
121.06546	0.7
121.10149	19.4
123.08097	1.2
123.11720	3.4
125.09653	1.7
128.06245	3.8
129.05525	1.0
129.07004	15.5
130.07796	2.2
131.08577	28.6
133.06415	0.8
133.10143	23.4
135.08066	1.7
135.11697	8.6
137.09660	1.4
137.13269	1.0
141.06972	5.6
142.07773	2.2
143.08568	18.1
145.10132	22.1
147.08101	0.8
147.11702	14.5
149.09624	0.9
149.13272	6.0
151.11205	0.7
153.07068	1.0
155.08577	10.0
156.09326	0.9
157.10136	16.8
157.11115	0.7
159.08093	0.9
159.11685	16.5
161.09558	1.0
161.13280	7.2
163.14825	2.4
166.07784	0.8
167.08630	4.7
168.09341	1.7
169.10123	12.7
170.10789	1.0
171.11699	13.6
173.13293	9.8
175.11177	1.5
175.14809	4.2
177.16379	0.8
178.07906	0.8
179.08586	2.3
180.09393	1.4
181.10126	6.4
182.10954	1.0
183.11708	13.0
185.09721	1.3
185.13266	10.6
187.14812	5.1
189.12862	0.9
189.16451	2.4
193.10097	2.2
195.11697	7.1
197.13261	9.3
199.14844	8.4
201.12823	0.8
201.16443	2.8
203.18008	1.3
207.11723	2.3
209.13281	5.7
211.14894	6.5
213.16463	4.4
215.18008	2.1
219.17462	1.3
220.10153	0.7
221.13402	1.9
223.14818	5.2
225.16338	3.3
227.18005	3.1
229.19559	1.3
231.21034	0.7
233.13261	1.0
235.14891	2.3
237.16434	2.2
239.17883	4.7
241.17712	1.1
241.19714	2.1
247.14954	1.1
249.16321	1.3
251.17995	2.6
253.19539	1.3
255.17369	1.3
257.19031	5.6
259.20612	5.2
261.22269	1.5
265.19659	1.2
267.21277	0.8
269.19012	0.9
275.20340	1.0
283.20630	0.9
285.22308	1.2
295.20557	1.0
297.22250	0.8
309.22107	1.2
311.20172	1.0
311.23605	1.6
313.21469	0.9
321.22037	1.2
323.23755	2.0
325.21790	1.0
325.25311	1.2
331.22711	1.2
333.24417	5.1
335.26205	1.5
337.25134	1.4
339.23285	1.1
339.26831	1.0
341.24631	1.1
351.26871	1.8
353.24695	1.0
355.26291	0.9
363.26862	1.5
365.28543	1.9
367.26349	0.9
377.28360	1.2
379.29922	0.9
393.27655	1.0
393.32162	0.9
421.30313	1.1
429.31598	0.9
447.32455	2.1
461.34152	1.0
483.34894	1.0
485.33865	1.2
487.34119	1.9
499.33694	1.2
501.35828	2.9
503.35733	0.9
513.35559	0.8
515.37836	2.2
517.40582	9.8
521.36359	1.2
527.37555	0.9
535.41608	6.0
538.68329	0.8
539.37305	3.0
540.38202	0.9
567.40399	1.5
591.44128	9.8
609.45148	100.0
610.45337	2.8
699.45428	1.0
717.47473	0.9
735.47504	1.0
753.48834	1.2
771.50519	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	826.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.1
61.02932	9.7
65.03952	1.0
67.05511	62.4
69.03427	2.3
69.06795	0.7
69.07079	7.6
70.33123	0.6
71.04994	2.2
71.08640	19.6
71.17134	1.5
73.02917	2.9
79.05498	1.7
81.03443	1.0
81.07061	17.2
83.04949	1.0
83.08628	11.8
85.02903	11.9
85.06540	2.2
85.10185	11.0
86.09707	1.9
89.06058	1.2
91.03967	8.3
91.05480	3.7
93.07032	3.6
95.08608	18.3
95.09182	1.2
97.02914	5.8
97.10175	3.8
99.04462	1.2
105.07021	0.8
107.08590	1.4
109.10167	68.3
111.08103	2.5
111.09367	0.6
111.11763	1.1
119.08578	3.4
119.72677	0.9
123.11756	2.6
125.13235	0.8
127.03934	2.8
133.10138	0.8
137.09615	2.8
137.13287	1.9
145.04961	2.5
155.10634	6.1
163.06020	3.5
173.11757	16.6
183.84052	0.7
184.07306	4.1
229.14371	85.4
230.14688	1.4
239.23653	1.4
257.24652	1.3
280.86893	0.7
313.27386	88.9
314.28006	0.8
339.28851	0.8
373.18716	0.8
418.19278	0.8
467.37378	100.0
468.37970	1.8
593.08868	0.8
826.46796	1.2
827.49426	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	826.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	2.3
61.02614	0.4
61.02930	9.0
65.03942	0.6
67.05508	50.8
69.03436	1.7
69.07073	4.4
69.30502	1.9
71.04994	2.4
71.08635	13.6
73.02918	2.9
79.05496	1.2
81.03419	1.1
81.07059	13.4
83.04970	0.3
83.08624	8.6
85.02910	10.0
85.06555	1.6
85.10190	7.5
87.04496	0.5
89.06052	1.0
91.03960	6.9
91.05486	3.2
91.07948	0.3
93.07061	2.1
95.04951	0.3
95.08613	12.3
96.04486	0.4
97.02894	5.2
97.06536	0.3
97.10175	2.5
98.21478	0.5
99.04449	0.7
99.08121	0.6
99.11717	0.5
101.06073	0.4
103.07606	0.7
105.07061	0.4
107.08602	1.0
109.02930	0.4
109.10161	56.2
111.08104	2.0
111.11753	0.6
115.03941	0.6
119.08561	3.5
121.10131	0.3
123.11717	1.9
125.09553	0.4
127.03912	2.5
127.11234	0.3
135.11714	0.4
137.09624	3.2
137.13289	0.6
144.46411	0.3
145.03906	0.5
145.04962	3.8
145.12292	0.3
155.10669	5.2
163.06001	4.1
165.16490	0.4
173.11746	15.1
176.15248	0.3
184.07370	0.5
207.81033	0.3
229.14360	100.0
230.14743	1.0
230.16983	0.3
239.23750	1.3
257.24741	1.6
294.79761	0.3
298.27344	0.3
313.27377	75.8
314.27744	1.2
321.00943	0.3
373.18649	0.6
467.37354	65.3
468.37561	1.6
592.77600	0.3
611.46808	0.6
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
61.02930	4.2
62.32758	0.6
63.65409	0.6
67.05511	7.0
69.03429	4.1
69.07068	1.2
71.05000	0.7
71.08633	0.6
73.02925	4.1
76.44505	0.6
79.05496	4.4
81.03413	2.1
81.07062	5.9
83.08607	1.1
85.02908	6.4
89.41781	0.5
91.03964	3.7
91.05492	3.9
93.07055	5.4
95.08604	4.3
97.02898	4.9
97.10194	1.1
99.04459	0.9
101.02401	2.0
103.10828	0.6
105.07060	2.1
107.08613	2.2
109.06545	0.6
109.10175	2.4
110.10483	1.0
117.07047	0.8
119.08600	2.3
121.10159	1.5
125.09660	0.6
127.03951	1.3
131.08586	1.7
135.11713	1.1
143.08597	0.6
149.13260	0.7
157.10028	0.7
184.07397	0.5
221.16805	0.6
229.14462	2.7
230.14787	1.7
243.08496	2.7
313.27530	2.1
314.27701	1.6
321.39194	0.7
331.18872	8.9
335.25922	1.1
468.37723	1.3
519.29376	5.4
549.26703	3.3
827.49200	100.0
828.49561	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	827.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.3
65.03934	0.5
67.05506	5.1
69.03443	3.1
69.07066	1.5
71.04985	0.4
73.02916	3.4
75.04551	0.4
77.97216	0.4
79.05497	3.4
81.03432	1.9
81.07056	4.4
83.08646	0.8
85.02908	4.6
85.06532	0.4
87.04495	0.6
91.03955	2.3
91.05473	3.2
93.07040	4.6
95.04967	0.5
95.08610	3.3
97.02899	3.7
97.10169	0.8
98.20765	1.2
99.04475	1.0
101.02401	1.8
105.07045	2.9
107.08619	1.7
109.06593	0.5
109.10170	1.7
117.07033	1.1
119.08568	2.6
121.10175	1.5
127.03969	1.2
129.07037	0.7
131.08534	2.2
133.10129	1.0
135.11717	0.9
137.93820	0.4
143.08611	1.4
145.10168	1.6
147.11748	0.6
149.13312	0.5
157.10158	0.6
159.11780	0.4
161.09622	0.6
171.11728	0.8
185.04166	0.8
203.05263	0.5
229.14262	0.9
243.08366	2.3
285.98282	0.4
301.17609	0.5
313.27499	0.8
331.18817	5.4
335.25717	0.6
337.72522	0.4
387.21201	1.0
413.17850	1.0
519.29321	3.6
549.26703	7.0
827.49158	100.0
828.49133	3.8
846.17316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.7
65.03941	0.5
66.92999	0.4
67.05508	5.4
69.03434	3.2
69.07076	3.0
71.01369	0.4
71.04987	0.5
71.08650	0.8
71.52912	0.5
73.02920	2.8
79.05501	4.3
81.03409	2.4
81.07056	5.8
83.05000	1.0
83.08627	1.0
85.02911	4.5
85.10201	0.6
86.09679	0.4
91.03949	2.6
91.05486	4.6
91.23207	0.4
93.05269	0.4
93.07042	5.0
95.01326	0.8
95.04980	0.8
95.08598	4.0
97.02898	4.3
97.06550	0.5
97.10205	0.6
99.04467	1.1
101.02396	1.3
105.07037	4.2
107.04974	0.5
107.08575	2.4
109.02920	1.1
109.06522	0.6
109.10178	2.6
111.08081	0.8
117.07034	1.2
119.08619	2.3
121.10157	1.4
127.03921	1.2
131.08591	1.3
133.10130	2.9
135.11716	1.0
145.04999	0.5
145.10150	1.1
147.11702	1.7
149.09651	0.9
149.13286	0.8
159.11696	1.0
161.13274	0.9
163.11247	0.7
171.11726	0.5
181.69334	0.4
184.07401	0.5
185.04300	0.8
185.13333	0.5
203.05318	0.7
227.12756	0.5
229.14374	2.1
230.14856	0.8
243.08382	5.3
301.09088	1.4
313.27386	1.9
314.27875	1.6
315.10538	0.7
315.19357	5.2
317.21243	0.7
371.21954	1.0
373.11221	0.6
383.16766	0.5
465.21072	1.2
467.37494	1.1
468.38013	2.2
495.22293	0.6
511.09961	0.5
533.27124	9.5
535.28851	7.9
605.29584	1.3
606.93042	0.4
827.49158	100.0
828.49506	4.6
845.41821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.9
65.03943	0.6
67.05508	10.9
68.05856	0.5
69.03431	3.4
69.07072	3.2
71.05002	1.0
71.08619	0.7
71.17551	0.8
73.02917	4.3
73.40737	0.4
79.05502	6.6
79.46825	0.4
80.05838	0.5
81.03430	3.3
81.07056	10.7
82.07413	0.7
83.04987	1.0
83.08620	1.6
85.02902	4.0
85.06550	0.5
85.23277	0.4
91.03953	3.3
91.05482	5.7
92.05806	0.5
93.07047	7.6
94.07368	0.7
95.04987	1.4
95.08611	6.1
97.02892	5.6
97.06539	0.9
97.10184	0.8
99.04452	1.0
101.02395	1.5
103.03963	0.5
105.07047	3.0
107.08612	3.3
109.02854	0.6
109.06522	0.7
109.10168	2.8
111.08080	0.7
115.03905	0.7
117.07032	0.7
119.08589	2.4
121.06490	0.5
121.10140	3.4
123.11761	0.7
125.09637	1.0
127.03943	1.9
131.08600	1.6
132.08983	0.5
133.10181	2.8
135.11740	1.4
142.16710	0.4
145.10173	0.8
147.11676	1.0
149.13303	1.0
151.11226	0.6
151.24548	0.4
159.11705	0.5
161.13228	0.5
173.13310	0.7
185.04308	0.8
227.12752	0.8
243.08417	2.8
269.17523	0.7
276.20401	0.5
331.18845	3.8
335.25742	2.2
336.26340	1.9
337.27267	0.9
338.27777	0.6
387.21436	0.7
461.15625	0.4
518.98071	0.5
519.29285	7.0
529.39001	1.4
530.39307	3.0
549.26563	2.3
612.46936	1.3
630.47943	0.5
809.47919	1.2
827.49158	100.0
828.48938	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	829.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29269	0.2
61.02932	3.9
65.03937	0.3
67.05508	4.2
69.03430	2.8
69.07073	1.8
71.01336	0.3
71.04989	0.5
73.02924	3.0
79.05074	0.4
79.05505	4.9
81.03412	1.8
81.07066	4.2
82.45509	0.2
82.55612	0.2
83.01074	0.3
83.04977	0.4
83.08611	0.7
85.02914	4.5
85.06525	0.3
87.04478	0.3
91.03970	2.6
91.05483	5.0
93.07047	6.0
95.04979	0.7
95.08613	3.1
97.02902	4.3
97.06560	0.3
97.10185	0.5
99.04470	0.7
99.08113	0.3
101.02395	1.6
103.03978	0.4
105.07035	3.4
107.08586	2.5
109.02886	0.7
109.06513	0.2
109.10188	1.1
111.08102	0.3
115.03999	0.3
117.07005	1.2
119.08596	3.0
121.10155	2.0
123.11720	0.3
125.00041	0.3
127.03903	1.4
129.05505	0.7
129.07068	0.6
131.08580	1.3
133.10155	2.7
135.11667	1.4
137.73074	0.3
139.72647	0.2
143.08582	0.4
145.10190	1.1
147.11682	1.8
149.13249	0.8
157.10149	0.6
159.11739	0.8
161.13350	0.8
171.11739	0.5
173.13307	0.3
184.07437	0.8
185.04243	1.1
185.13344	0.4
199.14799	0.2
201.03833	0.4
203.05331	0.7
211.13214	0.3
229.32893	0.3
236.96284	0.2
241.06918	0.3
243.08434	4.3
247.13017	0.4
259.20706	0.9
299.19778	0.3
301.08887	2.0
313.09055	0.8
313.27554	0.3
315.10446	1.2
317.20975	1.6
320.72098	0.2
327.10696	0.3
341.12253	0.3
371.16904	0.3
373.11081	0.6
373.23807	0.7
383.17068	0.3
385.18558	0.6
396.54416	0.3
397.18588	0.7
423.20120	0.4
437.21729	0.5
465.21057	1.9
495.22272	0.7
517.27991	0.3
521.30859	0.2
525.23065	1.9
535.28833	14.6
536.29144	0.3
539.24805	0.3
607.31165	1.8
621.32416	0.4
635.34253	0.3
649.35754	0.5
667.44965	0.4
677.39417	0.3
759.42712	0.6
804.31390	0.3
829.50763	100.0
830.51178	4.3
838.08179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	5.3
65.94707	0.4
67.05505	5.0
69.03439	3.2
69.07077	2.0
71.05003	0.6
71.52915	0.6
73.02924	3.9
79.05501	3.6
81.03435	1.7
81.07063	4.9
82.81413	0.4
85.02914	4.5
91.03952	2.8
91.05484	2.5
93.07042	3.3
95.04952	0.6
95.08614	4.1
97.02895	4.3
97.06561	0.4
99.04475	0.9
101.02397	2.1
105.04570	0.4
105.07045	1.5
107.08624	1.7
109.02844	0.9
109.10194	1.6
109.83620	0.4
111.04464	0.4
117.07043	0.6
119.08615	1.8
121.10184	1.4
127.03934	1.0
131.08617	1.1
133.10152	0.7
135.11719	1.0
145.10138	0.6
147.11748	0.5
153.67725	0.4
169.56760	0.4
173.13382	0.6
184.07454	0.5
184.62642	0.4
185.04205	0.8
243.08473	2.1
271.03003	0.4
294.51163	0.5
333.20276	2.5
335.25784	0.6
389.22910	0.5
475.79059	0.4
519.29340	6.9
551.28210	2.7
591.31384	0.4
829.50745	100.0
830.51025	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	829.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	5.6
67.05506	5.6
69.03448	3.5
69.07084	1.9
71.52177	0.6
73.02929	4.4
79.05507	4.4
81.03429	1.8
81.07056	5.7
81.11588	0.5
83.08638	0.5
85.02917	5.2
91.03965	3.3
91.05484	2.2
93.07050	3.6
95.04919	0.5
95.08622	4.3
97.02898	4.9
99.04505	0.5
101.02423	1.2
105.07076	1.8
107.08595	2.3
109.02945	0.6
109.10197	1.4
111.08143	0.4
117.07125	0.4
119.08611	1.7
121.10217	1.3
123.11695	0.6
123.97518	0.4
127.03971	1.7
131.08534	0.9
133.10181	0.6
135.11752	1.3
147.11703	0.7
185.04306	0.6
243.08540	1.6
281.58865	0.5
333.20374	3.1
335.25751	0.9
406.81808	0.5
469.20291	0.5
519.29279	7.4
551.28516	3.0
618.74103	0.5
829.50781	100.0
830.50934	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	831.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	0.2
61.02935	6.3
66.51346	0.2
67.05512	3.1
69.03433	4.1
69.07078	0.6
69.60371	1.5
71.01369	0.6
71.05000	0.7
71.08649	2.1
73.02927	4.5
81.03427	2.0
81.07071	1.4
83.08625	1.0
85.02913	6.0
85.10191	1.0
86.09742	0.2
87.04494	0.5
88.54389	0.2
91.03962	4.6
93.07057	0.2
93.45844	0.2
95.08604	1.8
97.02902	6.0
97.10204	0.3
99.04475	0.9
101.02398	2.2
103.03970	0.5
109.02874	1.1
109.10168	3.2
115.03957	0.3
123.11755	0.3
127.03913	2.3
137.13110	0.2
145.05026	0.5
155.10722	0.2
173.11812	0.8
184.07397	0.4
185.04259	1.1
187.78094	0.2
195.09898	0.6
203.05351	0.7
229.14400	0.5
239.23842	0.4
243.08389	1.9
259.08118	0.3
301.96790	0.3
313.27380	1.9
347.09503	2.5
363.09280	0.4
365.10669	0.9
405.08813	0.2
405.13724	5.5
405.18643	0.4
413.17908	6.3
421.13580	0.2
440.36282	0.2
497.30865	8.1
507.36832	0.5
575.23108	6.4
579.95563	0.3
659.36212	8.8
669.42017	3.2
831.47162	100.0
832.47040	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	837.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18587	0.6
59.25978	0.5
67.05449	0.6
69.29781	4.5
79.05463	0.7
80.04965	0.5
85.02859	1.1
93.07013	1.1
94.06566	2.8
95.07321	1.8
96.08135	4.2
97.02856	1.4
97.06516	0.9
107.04932	0.7
108.08105	5.5
110.09682	7.4
120.04470	3.7
120.08115	6.6
122.06029	2.6
122.09663	1.3
124.03911	1.5
124.07525	1.8
136.07573	6.6
138.08173	0.9
138.09143	13.3
145.02873	0.5
146.05927	1.7
148.07608	2.7
150.05377	0.6
150.09070	1.8
152.06984	2.1
152.10655	1.1
160.04005	0.9
160.05400	0.6
163.03920	3.8
164.07042	1.4
166.08650	17.1
168.10056	0.7
172.03870	2.5
176.06981	0.8
176.10638	0.8
180.10146	0.6
182.11774	0.9
188.07007	0.7
190.04939	2.4
194.08128	1.4
196.09790	1.1
203.10608	0.8
204.06561	3.6
211.12303	1.0
212.09467	1.1
213.10170	0.8
223.12218	0.9
224.09419	0.7
225.10265	3.7
225.12086	0.6
226.10812	0.8
227.11748	2.9
235.08598	1.0
236.09412	1.0
237.10255	5.5
238.10971	2.3
239.08159	1.1
239.11732	3.5
240.12531	0.6
241.09715	0.9
241.13327	0.6
245.12856	0.9
248.09271	2.5
249.10217	6.6
250.10948	2.7
251.08089	2.4
251.11810	6.2
252.08830	0.8
252.12434	1.5
253.09708	4.9
254.10362	1.2
255.11313	1.4
256.11807	0.8
256.72974	0.7
261.10236	4.0
262.10944	1.0
263.08035	0.6
263.09143	0.6
263.11743	5.8
264.08841	1.0
265.07126	0.9
265.09723	9.2
266.10468	2.8
267.11304	8.2
268.08234	1.4
269.09119	1.7
269.12766	3.3
271.10727	2.3
271.13501	0.6
273.12268	1.1
276.08755	0.6
277.09833	2.7
278.10492	4.6
279.07626	4.5
279.11258	12.2
280.09048	0.6
280.11932	3.5
281.09186	4.3
281.12796	3.2
282.09952	1.5
282.13428	0.7
283.10776	7.8
284.11636	0.9
285.12259	2.6
287.13879	5.2
289.09686	8.9
290.10144	0.7
291.11243	3.2
293.09250	2.7
293.12802	6.6
293.47833	0.6
294.09940	6.9
294.13214	1.0
295.10742	5.2
295.14008	0.9
296.11508	3.4
297.09003	1.1
297.12320	4.4
299.10233	2.5
299.13480	0.6
300.11041	1.2
306.09827	2.4
307.10767	4.1
308.11420	1.8
309.12241	5.3
310.13104	1.5
311.10205	9.0
311.13867	4.3
312.10876	4.5
313.11850	3.0
314.12619	2.2
315.13348	1.6
317.09296	1.2
321.08707	0.7
321.12338	1.1
323.10147	3.0
323.13934	2.8
324.11087	3.9
325.11908	4.9
326.12659	7.0
327.13403	14.1
335.10245	13.1
336.10944	0.9
337.11801	1.6
339.13394	75.6
340.10458	4.0
340.14023	1.5
352.10538	1.7
353.11288	2.5
354.12100	9.4
355.12869	28.1
356.13675	1.2
357.14410	1.7
367.12891	64.2
368.13431	0.9
370.15710	0.8
371.12140	1.1
383.12393	1.2
384.17282	0.8
386.14758	1.3
387.15411	0.8
389.90872	0.6
398.14822	1.9
399.15634	4.1
402.18341	1.0
404.16217	0.9
414.17917	0.8
416.16074	2.4
418.17703	0.9
430.17694	0.6
432.19116	1.2
440.15860	0.9
442.17816	1.6
446.17001	1.4
446.89584	0.7
447.17767	1.3
452.22052	0.8
458.17294	3.2
460.18915	4.5
470.16898	1.1
474.20746	1.3
478.19748	0.7
479.20706	4.4
480.21240	0.9
488.18231	10.8
490.19492	1.3
492.21298	12.7
502.20068	0.8
517.19073	0.7
520.20825	93.6
521.21136	2.2
538.22198	0.9
552.23425	81.0
553.23694	2.8
569.24146	0.9
611.25006	17.7
643.27545	4.5
650.23309	1.0
664.25018	1.2
682.26050	100.0
683.26569	3.5
714.28595	15.4
773.30518	1.1
795.21149	0.6
803.64240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	0.4
65.03926	0.8
67.05482	0.9
67.16705	0.4
69.03386	1.0
71.04973	0.6
71.51694	0.4
73.02872	0.5
77.16505	0.4
79.05468	0.9
80.05000	0.5
81.03403	1.0
81.07042	0.8
82.06505	0.5
85.02862	1.8
86.66584	0.5
88.36932	0.4
91.05466	0.7
93.05783	0.5
93.07038	2.3
94.06564	3.3
95.07358	2.1
96.08139	4.8
97.02863	0.8
105.07005	0.5
106.02895	1.0
107.04897	0.5
108.04459	0.5
108.08127	6.1
109.02818	0.6
110.09689	11.6
119.08532	0.4
119.71524	0.4
120.04497	4.1
120.08112	7.7
122.06007	1.9
122.09644	1.2
124.03987	2.7
124.07594	2.7
125.06000	0.5
127.03896	0.6
134.06003	0.7
134.09621	0.5
135.04405	0.7
136.04073	0.4
136.07582	7.1
137.05942	1.2
138.09145	15.2
145.02827	0.7
145.10124	0.6
146.06027	2.1
148.07513	2.7
150.05463	0.6
150.09120	1.6
152.07053	2.2
152.10689	1.5
160.03990	0.7
160.07564	0.4
162.05428	0.8
163.03920	7.3
164.07053	1.8
165.05377	0.4
166.08643	17.5
172.03976	2.6
176.10742	0.9
180.10146	1.3
181.05005	0.6
182.11694	1.2
185.10696	0.5
190.04921	1.9
192.06567	0.8
194.08124	1.7
196.09735	0.7
197.10754	1.1
198.11369	0.7
199.12297	0.6
203.10661	1.0
204.06616	3.8
209.10585	0.7
210.11523	0.6
211.08609	0.7
211.12329	0.8
212.09474	0.9
218.08153	0.4
223.08696	1.0
223.12239	1.0
224.09358	0.8
224.12938	0.6
225.10260	4.1
226.10997	0.7
227.11792	3.1
233.10612	0.6
235.08617	1.7
235.12273	0.6
236.09404	1.4
237.10254	7.7
238.11032	1.7
239.08202	1.6
239.11781	4.1
240.12486	0.7
241.09731	1.3
241.13358	0.7
243.11122	0.5
245.12854	0.8
247.21634	0.5
248.09286	1.7
249.10239	6.6
250.10965	2.7
251.08194	3.8
251.11784	7.4
252.08966	1.3
252.12537	2.0
253.09737	5.8
253.13370	1.1
254.10446	0.8
255.11366	1.9
257.12924	0.5
261.10242	4.5
262.11014	1.9
263.08841	0.7
263.11807	6.9
264.08810	1.3
265.09747	11.9
265.12762	0.8
266.10501	3.1
266.13910	0.6
267.08234	0.7
267.11325	9.3
267.14615	0.6
268.08167	1.3
268.11990	0.6
269.08981	0.6
269.12860	3.6
271.10873	3.2
273.12384	1.1
275.07758	0.4
276.08673	0.7
277.09818	2.9
277.12833	0.4
278.06924	1.1
278.10501	6.6
279.07697	6.2
279.11288	14.0
280.09204	0.6
280.12027	3.9
281.09210	5.1
281.12845	3.5
282.10025	1.8
283.10767	8.2
283.13861	0.5
284.11691	1.0
285.12460	2.0
287.13947	5.1
289.09738	11.7
290.10440	0.9
291.11252	4.4
292.08401	0.6
293.09229	3.6
293.12839	7.8
294.10019	8.0
295.10843	5.7
295.14191	0.8
296.11572	4.4
297.09113	0.8
297.12338	4.8
298.09750	1.0
299.10226	3.4
299.13937	1.3
300.11005	1.0
306.09827	2.0
307.10818	4.6
308.11328	2.2
309.08847	0.7
309.12308	6.5
310.13144	1.1
311.10242	10.3
311.13913	4.8
312.11124	5.1
312.14581	0.5
313.11731	3.6
314.12714	2.6
315.13397	1.8
317.09164	1.3
321.08676	1.0
321.12405	1.5
323.10272	3.1
323.13953	2.8
324.11050	3.2
325.11975	5.6
326.12622	7.1
327.13397	12.8
328.14053	1.1
329.14957	0.8
332.14087	0.5
335.10269	15.1
336.10873	0.6
337.08197	0.6
337.11642	2.1
339.13409	83.7
340.10422	4.3
340.14005	1.1
341.15060	0.5
342.12329	0.9
342.16080	0.9
343.12988	0.8
352.10492	1.7
353.11328	2.4
354.12167	10.1
355.12900	29.7
356.13730	1.7
357.14578	2.1
358.15665	0.7
367.12912	66.8
368.13348	1.0
370.15417	0.8
371.12347	0.9
374.14664	0.7
376.16605	0.5
383.12265	0.5
386.14709	1.2
387.15460	1.1
390.18167	0.8
398.15018	1.9
399.15802	3.7
400.16751	0.7
404.15970	1.1
414.18387	0.9
416.15915	2.0
420.19165	0.9
424.22910	0.6
428.15836	0.7
430.17593	0.9
432.19568	0.6
440.15942	0.8
442.17316	0.8
444.19669	0.6
446.17038	1.0
447.18091	1.3
451.20923	0.9
452.21985	0.7
458.17203	2.9
460.18976	3.3
461.19571	0.6
464.21750	1.4
474.20309	1.1
478.19305	0.5
479.20450	4.4
480.21271	0.7
488.18173	10.0
490.20114	1.2
492.21335	12.9
502.19739	1.3
505.18774	0.6
506.19611	1.0
517.19086	0.6
520.20844	94.8
521.21143	3.3
538.21967	1.7
552.23450	78.9
553.23993	3.5
593.23987	0.6
611.24976	16.1
643.27899	4.5
650.23572	0.8
664.24994	0.7
682.26074	100.0
683.26300	4.2
714.28754	16.0
755.29523	0.5
773.29749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.7
65.03950	5.1
67.05511	86.2
69.03433	19.4
69.07075	56.1
70.64061	1.2
70.64383	1.0
71.01345	1.6
71.04996	21.0
73.02929	4.8
73.06548	1.0
77.03908	1.4
79.05499	74.5
81.02938	0.9
81.03426	20.0
81.07063	85.1
83.04988	11.2
83.08632	9.3
85.02426	1.2
85.02910	11.1
85.06539	5.1
87.04466	1.6
90.03342	0.7
91.03951	1.9
91.04905	1.6
91.05490	54.9
93.07052	70.3
95.04976	13.6
95.07987	1.3
95.08615	51.2
97.02901	13.1
97.06538	83.2
97.10164	3.8
99.04468	3.7
99.08099	6.4
103.03996	0.8
103.05495	1.9
105.04519	2.3
105.07041	37.2
107.04970	8.8
107.08607	37.8
109.02905	4.8
109.06525	16.6
109.09471	1.6
109.10166	21.8
111.04422	1.8
111.08107	7.0
113.05996	3.0
113.09687	1.3
115.05444	3.4
115.07577	29.4
116.06200	0.8
117.07024	18.7
119.04940	1.1
119.08588	24.6
121.06517	5.9
121.10154	24.7
123.04430	1.4
123.08092	6.7
123.11718	6.3
125.09657	2.9
127.03929	8.0
127.07560	2.1
128.06210	2.1
129.05478	2.8
129.07016	10.1
130.07787	1.1
131.08578	26.5
133.06509	3.6
133.10147	22.9
135.08073	10.5
135.11703	15.0
137.05978	0.9
137.09660	4.0
139.07588	1.3
139.11162	1.2
141.06944	1.6
142.07802	1.3
143.08595	9.0
145.04945	2.2
145.06497	2.2
145.10126	16.2
147.08052	5.5
147.11691	12.4
149.09645	6.5
149.13260	11.1
151.11246	3.9
155.08595	3.0
157.10124	7.1
159.08072	3.2
159.11696	14.8
161.09651	5.8
161.13272	6.2
163.07571	1.5
163.11241	4.1
163.14796	1.9
165.09074	1.2
165.12857	2.0
167.08521	1.3
169.10139	2.9
171.11679	5.4
173.04489	7.6
173.09705	2.7
173.13307	6.3
175.11169	4.7
175.14844	2.6
177.09053	1.2
177.12740	4.6
179.10773	1.4
181.10085	2.0
183.11736	2.3
185.09598	1.7
185.13243	5.0
187.11159	1.5
187.14830	3.0
189.11145	1.1
189.12733	2.0
189.16460	2.3
193.10135	1.1
195.11914	1.8
195.13817	3.9
197.13269	1.4
199.11256	1.6
199.14838	4.2
201.07597	2.5
201.12714	1.8
201.16423	1.8
203.14368	2.4
209.13266	1.0
213.12755	1.1
217.15909	9.9
219.13898	1.1
219.17491	1.4
221.15413	1.9
227.12727	1.5
227.17961	2.8
231.17461	1.2
233.15297	4.3
237.16374	1.7
241.10777	1.4
241.19536	1.0
243.21120	3.3
245.18971	6.5
253.14369	3.8
255.17473	3.6
259.20535	3.0
261.22104	9.7
263.19940	1.0
267.15958	1.3
269.17462	15.4
271.17075	1.1
273.18521	29.4
275.20041	3.0
291.19571	17.4
293.21173	0.9
297.16934	1.6
303.19717	1.1
307.19150	3.6
309.20728	1.1
317.24811	1.5
319.22635	1.3
321.24136	1.1
329.21188	1.5
333.24280	2.5
335.25821	100.0
347.18396	1.0
347.22244	10.9
349.23730	1.3
365.23260	12.2
383.24496	2.5
391.28543	2.2
437.33841	1.4
497.30978	1.2
509.27332	1.2
515.37592	4.1
527.37079	1.7
529.38934	34.7
531.36530	2.0
551.40942	2.2
555.40002	1.5
557.38306	2.6
567.40253	2.3
573.53058	0.9
583.40417	1.1
585.41229	1.7
607.43445	8.6
625.34662	1.3
625.44623	18.8
626.45129	1.5
643.45581	9.2
769.48199	1.2
787.49298	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.4
65.03935	5.5
67.05510	92.4
69.03096	1.3
69.03436	20.0
69.07073	57.0
69.66816	7.0
71.04992	25.1
73.02920	7.7
79.05499	78.0
81.03420	23.8
81.07061	79.6
83.04983	14.0
83.08211	1.4
83.08620	11.8
85.02909	10.1
85.06547	4.3
91.03953	1.8
91.05488	58.5
93.07051	81.8
95.04969	14.6
95.08613	52.6
97.02904	13.0
97.06536	100.0
97.10175	3.6
98.21489	2.3
99.04479	2.9
99.08115	7.0
101.06030	1.5
105.04521	2.2
105.07032	36.0
107.04952	11.5
107.08594	40.3
109.02862	4.0
109.06517	22.3
109.10160	18.6
111.04406	1.6
111.08114	8.6
113.06013	2.9
115.05453	3.3
115.07574	33.0
116.06223	1.2
117.07025	18.7
119.04886	1.3
119.08593	26.4
121.06509	9.2
121.10154	26.0
123.04465	1.4
123.08082	4.1
123.11725	5.0
125.09618	3.0
127.03944	7.6
127.07538	2.8
128.06189	2.8
129.05481	2.0
129.07013	10.4
131.08577	26.7
133.06493	4.1
133.10141	25.8
135.08063	11.3
135.11713	17.1
137.09645	2.6
137.13155	1.5
141.07054	2.0
142.07751	2.1
143.08527	8.2
145.05045	1.4
145.06462	2.1
145.10136	18.2
147.08032	5.1
147.11700	10.5
149.09595	7.3
149.13272	10.0
151.11183	4.1
155.08517	1.7
157.10173	9.4
159.08032	3.5
159.11697	15.6
161.09654	6.3
161.13272	6.7
163.11137	2.5
163.14885	2.0
165.12744	1.4
169.10146	3.6
171.11647	6.4
173.04459	10.8
173.09607	1.4
173.13272	6.5
175.11151	4.3
175.14780	2.9
177.12752	8.0
181.10121	1.8
183.11700	2.4
185.13295	4.2
187.14841	2.9
189.12813	3.0
195.11832	1.7
195.13818	5.0
197.13226	1.4
199.14841	4.1
201.12708	1.7
203.14363	2.2
205.12282	1.3
217.15939	8.7
217.19391	1.5
219.13864	2.3
221.15388	1.9
227.17993	2.1
233.15399	2.6
235.43289	1.6
237.16475	2.2
241.10789	3.0
243.21051	2.5
245.18961	4.4
251.16280	1.7
253.14360	6.9
255.17628	2.2
259.11844	1.7
259.20557	2.8
261.22272	7.2
263.20041	1.7
267.15906	2.5
269.17480	22.2
273.18533	34.5
275.20117	3.3
279.15915	1.6
289.17914	1.6
291.19580	19.4
297.17130	1.6
307.19116	2.9
317.24905	1.6
333.24066	2.7
335.25827	84.1
341.67563	1.3
347.22076	11.9
349.23517	1.7
363.25299	3.2
365.23294	12.7
383.24265	2.1
391.28522	1.4
515.37445	5.2
529.38928	34.7
531.36163	1.7
551.40161	1.4
553.38550	1.3
555.40411	1.8
557.38342	2.6
567.39832	2.4
607.43408	8.7
625.44659	22.3
643.45160	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	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	2.9
65.03927	4.1
67.05506	91.9
69.03437	10.4
69.07070	34.7
71.04990	4.9
72.94384	1.8
78.23703	1.9
79.05494	86.7
81.03420	15.5
81.07056	100.0
83.04984	10.7
83.08611	19.2
85.02890	7.3
85.06511	3.4
87.04468	12.2
89.44628	2.2
91.05482	94.2
93.07045	97.4
95.04985	12.2
95.08616	56.4
95.09193	1.7
97.02888	4.4
97.06509	9.1
97.10164	9.5
99.08083	4.7
103.05453	3.0
105.04568	2.6
105.07034	90.5
107.04937	8.0
107.08595	59.9
109.06505	6.5
109.10156	24.3
111.08083	4.4
112.80760	1.8
115.05418	4.5
117.07013	34.4
119.08581	67.1
121.06493	4.7
121.10154	27.8
123.08071	4.9
123.11701	7.0
125.09597	5.3
128.06203	5.6
129.05481	3.2
129.07007	19.8
130.07755	2.9
131.08572	40.8
133.10135	50.3
135.08044	7.0
135.11691	27.1
137.09607	4.4
141.06972	5.9
142.07784	2.3
143.08578	18.7
144.09392	2.9
145.06473	3.3
145.10120	34.7
147.08038	4.5
147.11687	41.8
149.09612	10.5
149.13269	16.1
151.11185	3.2
151.26376	1.9
153.06993	2.2
155.08530	11.0
156.09320	2.5
157.10130	21.2
159.11682	31.5
161.09576	4.9
161.13248	18.9
163.11169	4.8
165.12746	2.7
167.08601	2.9
169.10068	12.3
171.11685	21.2
173.04582	3.6
173.13274	15.1
175.11212	3.2
175.14809	9.9
177.12733	4.4
181.10126	3.7
183.11685	9.3
185.13214	11.6
187.14832	5.4
193.10231	2.5
193.12199	2.0
195.11644	5.7
195.13821	4.5
197.13252	5.9
199.14813	8.0
207.11670	3.6
209.13286	3.0
211.14796	5.1
213.16461	3.1
221.13193	3.3
223.14842	4.5
225.16409	4.3
229.14261	4.3
231.21042	5.3
237.16351	2.5
241.19508	16.6
253.14304	4.0
255.15796	11.6
257.19073	4.3
259.20569	50.4
261.22134	4.2
267.15933	5.9
269.17380	21.3
275.20105	16.2
277.21716	4.1
289.21677	2.4
297.21967	2.9
301.21460	2.7
311.23624	2.5
315.23215	7.1
333.24225	48.8
335.25757	5.9
349.23801	10.7
351.25613	2.3
367.24725	6.5
417.31546	3.4
421.30872	3.8
435.32626	8.6
453.33594	5.7
471.34793	4.4
495.35059	2.4
509.36316	4.6
513.35925	18.2
515.37482	4.4
527.37347	55.4
545.38507	12.4
585.38983	2.2
607.43658	22.6
625.44495	25.6
635.39178	2.6
671.41364	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	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	6.8
61.70251	3.6
65.03934	7.0
67.05509	97.5
69.03426	13.3
69.07072	35.6
69.40499	17.9
69.40912	7.8
71.04996	5.8
79.05498	91.5
81.03420	7.3
81.06598	5.7
81.07059	100.0
83.04977	10.8
83.08622	22.4
83.96680	3.4
84.73214	3.8
85.02888	9.3
85.06563	4.8
91.05489	88.8
93.07047	96.4
95.04948	11.0
95.08060	6.4
95.08612	69.1
97.02881	8.5
97.06519	10.1
97.10188	18.3
98.21498	6.9
105.04509	5.2
105.07036	96.2
107.04935	13.3
107.08602	72.0
109.06516	9.3
109.10153	34.4
111.08092	7.5
115.05455	9.7
117.07029	45.3
119.08589	71.5
121.10142	33.2
123.08070	6.6
123.11717	8.4
125.09615	13.3
129.07016	28.5
131.08578	51.3
133.10135	54.5
135.08037	8.8
135.11728	22.0
137.09605	4.4
141.06960	8.2
142.07750	6.9
143.08583	24.6
145.10123	40.2
147.07932	4.7
147.11688	40.2
149.09619	11.5
149.13243	11.1
151.11176	4.3
155.08580	15.5
157.10104	28.6
159.11720	29.0
161.09625	4.7
161.13228	18.5
163.11092	7.0
167.08562	7.4
169.10144	19.5
171.11665	27.1
173.11966	4.1
173.13263	17.1
175.11191	4.5
175.14915	4.7
177.12724	3.9
179.08516	5.3
181.10164	4.5
183.11702	13.9
185.13231	17.4
187.14853	7.8
189.11238	9.9
195.11708	8.8
195.18495	4.3
197.13239	7.7
199.14789	12.5
201.16367	4.3
209.13251	7.8
211.14816	8.8
213.16451	5.9
215.17963	5.3
223.14871	5.2
227.12878	6.9
229.14355	10.5
231.21210	5.4
241.19496	14.5
247.91696	3.7
257.18958	9.4
259.20587	45.0
261.21899	4.1
266.37381	4.1
267.21027	5.5
269.17575	7.0
271.20355	4.3
273.18735	4.5
275.20184	31.6
283.20322	4.1
297.22330	5.3
297.85065	3.9
315.23346	5.0
333.24210	50.4
335.26022	8.6
337.25241	4.4
349.23996	19.2
363.26907	4.2
421.30841	4.5
427.82944	4.2
513.35913	27.6
515.38672	7.8
527.37299	23.8
533.39716	9.9
545.38586	4.5
547.19196	4.3
567.40344	8.7
607.43616	56.1
625.44769	50.5
643.45813	6.0
646.80975	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	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	4.4
61.98204	1.6
65.03937	7.7
67.05508	96.4
69.03419	7.1
69.07070	41.0
69.55556	5.8
69.55965	4.9
71.01353	1.4
71.05002	8.9
73.02897	2.5
76.15771	1.7
77.94113	1.7
79.05496	79.4
81.03432	12.2
81.07059	100.0
83.04995	15.1
83.08209	2.0
83.08627	19.3
85.02901	4.2
85.06535	5.9
91.04903	3.6
91.05483	85.2
93.07047	90.9
95.04974	11.8
95.08611	61.3
97.02885	6.9
97.06519	15.0
97.10162	10.0
98.20864	3.7
99.08089	5.7
102.55962	1.9
103.05455	3.9
105.04530	3.1
105.07038	87.0
107.04950	7.9
107.07885	3.0
107.08599	53.6
109.06538	9.4
109.09471	2.7
109.10163	29.9
111.08076	5.3
113.06007	2.0
115.05456	4.9
117.07019	35.0
119.08588	71.0
121.06501	5.5
121.10154	34.6
123.08071	7.9
123.11695	7.2
125.09616	5.4
127.03928	3.1
128.06236	5.1
129.05496	2.0
129.07010	24.0
130.07799	3.6
131.08577	42.3
133.06470	3.8
133.10138	52.4
135.08034	6.7
135.11713	28.3
137.09604	5.2
139.11157	3.3
141.06969	8.2
142.07788	5.3
143.08559	23.7
144.09395	2.5
145.10118	35.5
146.38918	1.8
147.08057	3.4
147.11699	34.5
149.09656	7.6
149.13255	14.3
151.11209	4.3
154.07747	2.0
155.08559	13.6
157.10130	21.7
157.33403	1.7
159.11690	30.2
161.09579	4.2
161.13249	19.8
163.11148	8.7
163.14819	2.3
165.12817	1.6
167.08531	6.8
168.09300	1.9
169.10123	15.8
170.10928	1.9
171.11684	19.9
173.04453	3.8
173.09663	2.2
173.13235	18.7
175.11217	2.0
175.14845	9.1
177.12720	4.5
179.08516	2.7
179.14253	3.0
181.10104	9.6
181.12117	1.7
183.11717	14.9
185.13239	13.1
187.11230	3.1
187.14847	6.9
189.12798	2.1
189.16364	2.9
191.14340	2.3
193.09972	1.9
195.11705	9.9
195.13663	3.6
197.13255	11.3
199.14856	9.1
201.16356	2.8
203.14305	2.6
207.11650	2.2
209.13303	6.9
211.14761	5.0
213.16402	4.8
215.14261	2.0
219.11525	2.4
221.13242	3.0
223.14798	4.5
225.16380	4.3
227.12634	2.3
227.17998	2.6
231.21027	4.4
233.13196	1.7
235.14922	3.0
235.17079	2.3
237.16464	2.4
239.14330	1.8
239.17860	4.7
241.19519	17.1
251.17928	2.4
253.14229	2.0
255.15787	9.6
257.19028	5.2
259.17661	2.5
259.20584	44.6
261.21945	2.4
267.15875	3.5
269.17407	18.7
273.18500	2.6
275.20096	21.6
277.21637	2.2
283.20471	2.0
291.19418	2.5
293.21066	1.6
297.22244	1.6
301.21313	2.4
311.23764	2.6
315.23224	6.4
331.22629	2.0
333.24280	42.1
335.25919	3.9
339.23264	2.3
341.25314	1.7
349.24066	11.5
367.24786	3.0
403.29886	1.8
417.31271	2.9
421.31168	2.3
435.32410	6.1
439.32059	2.8
453.33682	4.3
471.34607	2.1
473.33090	1.8
485.32700	2.2
489.35944	2.4
495.34579	2.5
501.35498	3.7
509.36020	5.2
513.35828	28.9
515.38086	6.8
527.37360	51.2
531.37067	3.1
533.39587	5.7
543.36194	3.5
545.38397	8.1
567.39661	2.1
607.43695	33.2
625.44684	36.1
643.45709	2.0
689.42175	2.2
769.49237	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	842.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23051	1.9
61.02929	2.6
61.15770	1.7
63.45650	1.6
65.03942	3.2
67.05510	87.7
69.03432	5.1
69.07082	23.2
70.57227	5.4
71.05000	5.4
79.05498	53.5
81.07060	84.0
83.04990	6.7
83.08603	16.5
85.02930	2.4
85.06542	2.4
86.09722	3.9
91.05488	36.2
93.07050	64.7
95.04984	5.6
95.08615	52.9
97.02932	2.1
97.06535	12.2
97.10175	11.9
105.04561	2.1
105.07037	27.1
107.04955	6.3
107.08591	37.6
109.06525	7.8
109.10157	34.4
111.08099	5.5
115.50253	1.9
117.07012	10.2
119.08587	22.9
121.06496	3.1
121.09319	3.2
121.10135	26.0
123.08011	2.5
123.11727	5.9
125.09640	6.7
129.06999	4.0
131.08578	20.0
131.69286	1.7
133.10152	23.3
135.11693	17.2
137.09613	2.5
143.08571	2.8
145.10124	12.6
147.11703	12.4
149.09622	7.6
149.13242	11.8
157.10107	4.0
159.11694	11.8
161.13306	5.7
163.11208	3.5
165.12849	2.4
168.09364	2.0
169.10197	1.9
170.84122	1.8
171.11732	2.1
173.11835	3.0
173.13293	5.5
175.14810	3.0
177.12761	2.8
183.11702	2.1
184.07396	5.8
187.14789	2.6
197.13202	2.2
227.12720	4.7
229.14389	13.7
243.21167	2.7
245.13803	2.2
257.19070	3.8
259.20547	3.0
261.22086	12.3
267.15945	2.7
269.17493	24.3
275.20041	25.8
293.21149	5.5
335.25818	100.0
336.25955	2.3
348.51251	2.0
349.23749	24.0
367.24973	12.3
437.34045	2.7
489.35706	14.6
496.64767	2.0
511.37103	2.5
529.38898	69.0
547.39996	2.5
549.26685	2.5
569.41962	10.1
589.31329	2.0
609.45062	38.7
627.46088	26.8
673.42603	2.1
793.40717	2.0
842.47363	4.5
843.48828	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.4
65.03956	0.7
65.87835	0.5
67.05511	5.3
69.03441	2.5
69.07070	1.8
71.01353	0.6
71.04990	0.6
71.52950	0.9
73.02922	2.9
79.05490	4.1
81.03422	1.9
81.07066	4.6
83.04997	0.9
83.08617	1.0
85.02932	3.8
91.03947	2.6
91.05477	4.2
93.07051	4.7
95.04970	1.0
95.08630	3.8
97.02914	2.9
97.06534	0.8
99.04465	0.9
101.02395	1.7
105.07030	3.1
107.04915	0.7
107.08615	3.0
108.05724	0.5
109.02855	0.8
109.06532	0.9
109.10182	1.6
117.07074	1.2
119.08566	2.5
121.10178	1.2
121.16057	0.6
127.03957	1.2
129.07034	0.6
131.08557	1.4
133.09267	0.5
133.10130	2.6
135.11693	1.0
142.03851	0.5
143.08577	0.6
145.10158	1.1
147.11673	1.2
149.68100	0.5
163.64091	0.5
185.04222	0.9
193.12309	0.8
243.08516	2.0
244.45071	0.6
301.09030	1.8
313.17914	1.4
315.10699	1.1
326.28345	0.5
331.18884	3.1
335.25662	0.7
336.26105	1.0
348.67279	0.5
355.13974	0.7
369.15305	0.6
387.21838	0.6
451.19553	1.1
524.05243	0.6
531.25775	1.6
535.28900	6.6
549.26630	2.9
565.26147	0.8
621.28662	0.7
745.41296	1.3
825.47461	5.7
843.48639	100.0
844.48700	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	845.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.2
63.26958	0.3
67.05511	5.2
67.35835	0.3
68.64854	0.3
69.03429	3.1
69.07073	1.7
71.01340	0.4
71.04999	0.9
73.02922	3.8
78.13802	0.3
79.05499	3.4
81.03420	2.2
81.07060	4.7
83.04974	0.4
83.08619	0.8
85.02905	4.1
85.23203	0.3
86.09727	0.4
87.04481	0.5
91.03970	2.6
91.05473	2.6
93.07045	3.9
95.04977	1.0
95.08607	2.9
97.02898	3.9
97.06535	2.6
97.10193	0.3
99.04467	0.8
101.02380	2.2
103.03959	0.4
105.07030	1.6
107.04996	0.5
107.08596	2.1
107.89326	0.3
109.02905	0.6
109.10188	1.3
117.07013	0.8
119.08616	0.9
121.10173	1.4
123.11766	0.3
127.03931	1.3
128.57059	0.3
128.94789	0.3
131.08582	1.2
133.10176	1.1
135.11726	0.9
137.05794	0.4
145.10178	0.5
145.92632	0.3
149.13335	0.4
159.11758	0.5
184.07382	0.6
185.04263	0.5
229.46301	0.3
243.08421	2.4
257.04968	0.3
266.26138	0.3
281.66879	0.3
313.27487	0.4
319.19046	0.3
335.25836	0.5
337.27560	0.4
349.19873	5.9
405.22495	0.6
439.19672	1.6
453.21185	0.8
481.24368	0.4
519.29358	4.0
567.27875	4.5
591.31134	0.6
717.41510	0.4
800.75061	0.4
845.50226	100.0
846.50421	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	845.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	6.1
65.03951	0.5
67.05511	6.8
69.03436	4.4
69.07073	2.0
71.01358	0.5
71.05005	1.2
73.02924	5.4
77.41953	0.2
79.05502	5.4
81.03428	2.3
81.07069	6.6
81.07536	0.4
83.05001	0.7
83.08630	0.7
85.02911	6.4
87.04478	0.6
91.03970	3.4
91.05477	3.4
93.07055	5.5
94.19886	0.2
95.04995	0.8
95.08621	4.6
96.83116	0.2
97.02900	5.7
97.06528	1.8
97.10160	0.4
99.04481	0.9
101.02399	1.9
103.03978	0.5
105.07040	1.5
107.05023	0.2
107.08619	2.0
109.02902	0.9
109.06554	0.4
109.10201	1.8
111.08115	0.3
115.03928	0.4
117.07069	0.8
119.08559	1.4
121.10160	1.7
123.11725	0.3
127.03929	1.6
129.05472	0.2
131.08597	1.4
133.10126	1.1
135.11694	1.1
137.05792	0.7
145.04945	0.5
145.10162	0.7
147.11774	0.8
149.13293	0.7
159.11723	0.5
161.13284	0.5
163.11201	0.2
173.13365	0.3
175.14951	0.2
184.07445	0.8
185.04211	0.5
187.11115	0.2
203.05324	0.3
208.13690	0.2
221.11697	0.5
229.04265	0.3
243.08430	1.7
261.22540	0.2
274.25534	0.2
315.10635	0.3
319.18869	0.3
328.98523	0.3
335.25925	0.7
349.19879	10.8
369.54822	0.3
405.22650	0.6
410.60382	0.2
439.19409	1.2
453.21231	0.7
519.29309	6.1
524.13434	0.2
567.27838	3.1
591.31818	0.2
717.41522	0.3
731.43396	0.3
757.45972	0.3
845.50238	100.0
846.50543	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	845.502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.7
63.99489	0.4
67.05507	4.7
68.62694	0.3
69.03423	2.0
69.07063	2.1
71.52438	0.4
71.52895	0.6
73.02915	2.0
74.82692	0.4
74.97086	0.4
79.05502	4.8
81.03419	1.9
81.07055	5.1
83.04987	0.7
85.02907	3.8
86.95294	0.4
91.03954	2.1
91.05489	3.7
93.07053	5.1
95.04966	1.0
95.08609	2.6
97.02882	3.6
97.06520	0.5
97.10186	0.4
99.04460	0.7
101.02409	1.7
105.07045	2.6
107.08577	2.3
109.02889	1.0
109.06524	0.6
109.10189	1.0
117.07059	1.0
119.08602	2.1
121.10167	1.3
123.08103	0.4
123.13322	0.5
127.03944	1.1
129.07092	0.5
131.08588	1.1
133.10121	2.1
135.11714	1.2
145.10173	1.0
147.11720	1.6
149.13286	0.7
157.10112	0.5
159.11813	0.4
161.13290	0.6
185.04272	0.7
203.05392	0.6
243.08415	3.8
301.09018	0.9
308.29904	0.4
315.10593	1.0
317.20889	0.9
333.20355	3.3
373.11374	0.5
373.23651	0.6
385.18332	0.6
389.23001	0.6
439.19595	0.9
453.21063	0.6
465.21402	1.0
469.20514	0.7
535.28876	7.7
551.28326	5.9
623.30597	1.6
845.50208	100.0
846.50629	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	848.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05014	2.7
61.02928	11.5
65.03942	2.5
67.05508	100.0
69.03430	2.9
69.07072	8.8
71.01347	0.6
71.04658	0.5
71.04992	3.5
71.08633	0.6
71.52648	0.4
73.02897	3.7
79.05020	0.6
79.05497	22.2
81.03418	2.2
81.07060	40.5
83.04996	1.6
83.08627	9.0
85.02908	14.9
85.06548	3.4
91.03965	11.6
91.05490	15.1
93.07047	29.1
95.04964	1.4
95.08614	30.8
96.04477	0.7
97.02891	6.7
97.06523	1.3
97.10184	2.4
99.04471	1.3
99.08101	1.5
103.03961	0.7
105.04559	0.5
105.07032	8.0
107.04955	0.5
107.08600	18.4
108.10444	0.5
109.02917	1.1
109.06530	1.2
109.10162	82.5
111.08061	3.1
115.26483	0.5
117.07023	4.5
119.08592	13.4
121.10146	13.3
123.08085	0.7
123.11707	4.9
125.09634	1.3
127.03899	3.1
128.60411	0.5
131.08566	6.5
133.10152	6.6
135.11699	8.9
137.09668	3.3
137.13257	1.6
139.11182	0.8
145.04942	3.9
145.10117	5.3
147.11673	5.0
149.13268	5.9
155.10670	6.0
156.39162	0.5
159.11737	3.8
161.13239	3.6
163.06021	5.2
163.14827	2.7
171.11787	0.7
173.11758	18.2
173.13281	3.9
175.14850	1.4
177.12769	0.5
177.16382	1.5
187.14835	2.7
189.11296	1.2
201.16411	1.1
227.12787	5.7
229.14366	97.5
230.14700	1.0
233.22630	0.8
243.21104	6.9
254.43903	0.6
259.20612	0.7
261.22150	22.7
263.23758	0.7
317.24823	3.1
323.11575	0.5
335.25818	80.4
336.26123	1.5
379.30072	1.4
397.31119	1.9
415.32251	1.1
433.33511	0.6
471.34485	3.0
489.35779	82.3
490.35995	1.7
507.36829	8.8
633.40149	0.9
670.86890	0.6
792.92987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03747	0.4
59.04993	2.7
61.02926	9.9
65.03939	2.6
67.05505	87.4
68.05861	0.5
69.03429	2.5
69.07069	6.7
70.56905	0.5
70.57239	1.1
71.05001	3.2
71.08652	0.6
73.02927	3.0
79.05146	0.3
79.05492	18.0
81.03407	2.0
81.07057	36.5
83.05004	1.1
83.08616	7.8
85.02901	11.9
85.06541	2.4
87.04464	0.5
91.03959	9.5
91.04485	0.4
91.05481	10.9
93.07044	22.4
95.04994	1.4
95.08606	25.1
96.04488	0.5
97.02888	7.0
97.06539	1.8
97.10178	1.8
99.04492	0.5
99.08098	0.8
105.07032	6.8
107.08589	13.1
109.02875	0.6
109.10157	74.4
111.08067	3.2
113.09687	0.6
117.07011	2.6
119.06020	0.5
119.08583	9.4
121.10142	9.5
123.08101	0.6
123.11708	4.1
125.09612	1.1
127.03923	3.8
127.11222	0.7
131.08574	5.5
133.10124	4.2
135.11696	7.1
137.09608	3.4
137.13210	0.9
139.11157	0.5
145.04942	4.0
145.10110	4.0
147.11673	3.5
149.13217	4.3
150.58473	0.4
155.10669	6.4
159.11708	3.2
161.13266	2.8
163.06012	5.0
163.14853	2.9
173.11768	18.8
173.13269	2.8
175.14864	1.7
177.16402	0.7
183.11693	0.5
187.14861	1.3
189.11224	0.8
189.16464	0.4
201.16359	0.5
227.12761	7.9
229.14351	100.0
230.14726	0.6
233.22636	0.8
241.19695	0.5
243.21111	4.8
259.20480	0.8
261.22147	18.4
263.23465	0.5
279.23099	0.5
287.54242	0.4
303.23288	0.5
314.27765	0.6
317.24756	2.8
335.25803	66.8
336.26248	1.2
341.52222	0.4
373.18457	0.7
379.29919	0.9
397.30969	1.7
415.32089	1.9
433.33298	0.8
471.34668	2.9
489.35767	52.4
490.36066	1.0
498.45343	0.5
507.36850	8.8
561.76105	0.5
603.64984	0.4
633.39526	0.6
734.74323	0.4
848.50287	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	6.2
67.05504	0.5
69.03425	0.5
70.06593	23.4
71.08629	3.0
71.52453	0.5
72.08156	0.8
77.25031	0.4
84.08112	0.9
85.10171	1.0
86.09724	0.8
88.07634	27.3
93.07014	0.6
95.04985	0.5
97.02882	0.4
102.09187	20.5
121.02863	2.3
126.06567	0.4
131.04955	0.5
132.30844	0.4
133.02866	0.9
139.03923	1.8
146.11868	0.5
147.04422	1.4
149.02356	85.8
149.03442	7.0
175.03897	2.5
177.05493	2.0
191.07066	1.2
193.04970	45.9
212.23761	0.8
219.06528	2.3
237.07578	10.4
242.24471	0.4
256.26361	66.1
257.26660	1.0
269.04547	0.8
297.03934	1.1
300.29044	0.8
313.07251	0.8
341.06555	3.9
343.08170	1.1
359.07599	2.1
385.09158	6.7
396.14557	0.4
411.10880	1.0
429.11880	1.6
533.10785	1.1
577.13342	8.8
621.16156	11.3
832.38324	1.8
850.40082	100.0
851.40570	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	854.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	1.7
65.03943	3.2
67.05510	47.1
69.03431	11.2
69.07074	39.1
69.50655	6.0
69.51071	2.6
79.05501	43.5
79.22212	1.3
81.03430	11.3
81.07063	52.5
83.04989	8.4
83.08635	12.4
85.02903	3.4
85.06546	2.7
91.05488	39.6
93.07048	42.4
95.01348	2.1
95.04960	13.5
95.08614	20.4
97.02887	10.8
97.06540	12.5
97.10168	16.6
103.05456	1.8
105.07040	30.4
107.04958	10.1
107.08605	26.4
109.02904	2.3
109.06550	7.7
109.10179	12.7
111.08069	3.4
115.05477	2.6
117.02716	1.3
117.07031	13.4
117.17176	1.2
119.04939	2.2
119.08582	21.9
121.06519	5.3
121.10158	13.0
123.08083	6.4
123.11671	2.1
125.09642	14.9
128.06221	1.5
129.05470	1.3
129.07018	4.3
130.07809	1.9
131.08585	17.3
133.06511	5.5
133.10139	14.1
135.08043	6.6
135.11697	9.0
137.09650	4.1
142.07811	1.6
143.08604	5.1
145.10132	12.0
147.08063	6.7
147.11702	7.9
149.09636	9.4
149.13293	5.6
151.11136	2.2
153.09111	2.1
157.10167	3.8
159.11731	10.8
161.09679	3.5
161.13261	1.9
163.11208	6.0
165.09134	2.0
169.10197	2.4
171.10335	2.0
171.11707	4.8
173.04565	1.5
173.11797	2.2
173.13220	3.5
175.11182	2.2
177.12746	3.1
177.50156	1.4
179.14471	1.6
183.11621	1.6
187.11214	1.9
189.11201	6.3
193.12242	1.8
195.13896	4.9
223.13293	16.3
227.12772	12.3
233.15346	1.5
245.18964	1.5
247.20778	1.9
249.14847	2.7
253.14319	1.6
255.15913	4.4
257.19046	6.4
267.16016	2.2
269.17465	17.1
273.18558	13.7
275.20068	17.6
291.19559	100.0
293.21149	2.5
299.19299	1.7
331.22714	2.1
347.22147	3.7
349.23782	19.9
352.70673	1.4
365.23267	46.9
367.24786	1.6
396.82605	1.4
399.03699	1.3
405.79913	1.4
461.29132	2.7
472.28482	1.4
535.33392	2.0
541.35101	4.6
545.34937	15.2
559.36273	57.4
621.41833	1.5
639.42548	27.0
657.43433	3.4
723.06329	1.8
800.47192	1.5
854.45361	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.6
65.03943	4.1
67.05507	100.0
69.03427	3.8
69.07072	17.2
71.01350	0.9
71.02310	1.0
71.04996	3.9
73.02917	2.8
76.93845	0.4
77.03944	0.9
79.05496	45.4
81.03425	7.5
81.07059	61.2
83.01379	0.5
83.04982	7.1
83.08625	14.2
85.02908	12.0
85.06544	3.3
87.04469	4.0
91.03951	1.5
91.04901	1.0
91.05485	24.7
93.07046	41.7
95.04980	5.9
95.08610	40.7
97.02876	4.5
97.06546	5.3
97.10175	13.6
99.04456	0.7
99.08098	2.0
101.06036	0.6
103.03992	0.8
105.04494	0.8
105.07036	16.3
107.04986	1.9
107.08598	27.0
109.06508	2.9
109.10159	53.9
111.04495	1.1
111.08096	3.7
116.04775	0.6
117.07006	6.3
119.08585	17.1
121.06526	1.2
121.10144	18.0
123.08053	2.5
123.11715	5.3
125.09643	12.8
127.03934	0.8
129.05487	1.6
129.07043	2.1
130.07768	0.8
131.08572	10.3
133.10141	9.2
135.08093	1.4
135.11687	13.0
137.09612	2.6
137.13263	1.1
139.11197	1.0
141.09132	0.6
143.07004	0.6
143.08557	0.9
143.10704	2.3
145.10115	8.6
147.08061	1.2
147.11696	6.1
149.09633	1.5
149.13252	5.7
151.11215	1.0
153.12764	2.9
155.08575	1.1
155.10655	4.6
157.08737	0.6
157.10181	1.7
159.08191	0.5
159.11662	5.2
161.13257	4.7
163.11198	6.6
163.14857	2.5
171.11790	0.8
173.09596	1.6
173.11766	11.9
173.13298	4.9
175.11238	0.8
175.14830	1.8
177.12785	0.6
177.16467	1.0
181.12312	1.4
183.11684	0.7
185.13290	1.2
187.14876	2.4
189.11253	1.0
189.16454	0.5
191.10698	2.0
193.12157	2.2
199.11501	0.7
199.13289	4.8
199.14842	0.7
201.16399	0.9
209.11719	5.2
211.13190	0.9
217.14436	1.3
219.17307	0.6
227.12743	6.0
229.14357	43.0
243.21149	3.6
245.13847	1.0
257.13928	1.5
259.20560	1.3
261.22134	15.5
267.15982	3.0
277.21707	1.0
283.15424	2.3
289.21527	0.6
297.22351	0.7
299.23730	0.6
301.13745	0.5
301.16479	12.5
315.23236	0.6
317.24744	2.0
335.25809	81.6
336.26340	1.1
351.25262	0.7
399.23837	10.8
459.34912	0.7
477.35748	6.9
489.35791	18.6
507.36731	0.8
527.37317	0.8
543.36658	2.1
561.37744	6.1
579.39136	3.0
659.34039	0.9
659.45239	18.3
761.83545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.9
65.03947	3.1
65.04337	0.6
67.05511	100.0
69.03432	3.2
69.07076	19.9
70.97671	1.6
71.01370	1.8
71.04997	5.3
73.02926	2.4
77.03920	0.9
79.05501	43.3
81.03428	9.9
81.07064	60.4
83.04980	8.2
83.08633	16.9
85.02914	14.1
85.06561	2.8
87.04492	4.3
91.03976	1.4
91.05491	25.6
93.07053	43.7
95.04971	6.5
95.08618	38.2
97.02891	4.6
97.06520	5.4
97.10179	14.9
99.08129	1.4
101.06055	0.7
103.03975	1.5
105.07039	16.3
105.07688	1.2
107.04973	3.5
107.08607	26.8
108.14815	0.7
109.06571	1.9
109.10168	64.0
111.04454	1.8
111.08106	3.2
111.63865	0.7
117.07030	7.6
119.08591	16.5
121.06520	1.3
121.10154	18.1
121.66499	0.8
123.08100	2.7
123.11710	4.9
124.16899	0.8
125.09635	15.0
127.11249	0.8
129.05508	2.4
129.07045	2.8
131.08578	11.2
133.10149	9.4
135.08015	0.7
135.11716	12.9
137.09645	3.4
137.13290	1.3
139.11214	1.1
143.08636	1.3
143.10713	2.4
145.10152	10.4
147.08090	1.6
147.11699	6.3
149.09697	1.4
149.13280	7.0
151.09616	0.8
151.11053	0.8
153.12787	3.2
155.10667	8.0
157.08658	0.9
157.10201	1.4
159.11714	5.7
161.13255	5.0
163.11180	8.0
163.14896	2.9
165.62817	0.8
172.92282	0.7
173.09810	1.2
173.10118	1.4
173.11792	14.0
173.13313	6.5
175.11272	1.0
175.14868	1.8
177.16457	0.9
181.12296	2.0
185.11812	1.2
185.13388	1.5
187.14886	3.0
191.10693	2.3
193.12399	1.7
199.13313	8.8
199.14948	1.5
201.16518	1.3
209.11769	5.8
217.14404	1.7
227.12804	7.3
229.14368	49.6
236.58853	0.8
243.21106	5.8
245.13881	0.8
248.72629	0.7
257.13821	1.2
259.20621	1.1
261.22177	16.6
265.14893	0.9
267.16080	3.6
279.23401	0.9
283.15497	2.7
301.16534	15.2
301.53500	0.7
317.24860	3.3
327.23239	1.3
335.25824	80.1
336.26483	0.9
363.25461	0.9
399.23840	16.9
433.79739	0.7
459.34933	1.7
477.35672	6.3
489.35846	16.7
543.37085	2.7
561.38080	7.1
579.38861	3.9
659.45154	20.0
659.55750	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	2.0
65.03933	1.8
67.05509	54.3
69.03432	7.2
69.07072	13.6
71.01355	3.5
71.04988	4.8
71.08642	2.2
73.02897	1.1
77.01974	1.2
79.05498	41.2
81.03425	20.1
81.06597	3.0
81.07061	49.0
83.01340	2.6
83.04987	15.0
83.08620	10.5
85.02926	10.5
85.06537	2.6
91.05487	24.2
93.07051	47.7
95.04964	9.8
95.08611	35.7
95.09095	0.8
97.02892	10.6
97.06536	8.4
97.10179	7.0
99.04481	2.8
99.08110	2.6
105.04537	1.4
105.07030	17.3
105.23186	1.3
107.04955	12.4
107.08596	27.2
109.02859	2.1
109.06517	6.4
109.10162	25.3
111.04443	5.1
111.08067	4.1
111.11729	1.8
117.07008	9.8
119.08585	20.9
121.06504	2.3
121.10148	21.6
123.08073	4.1
123.11687	3.1
125.09618	7.2
127.03927	2.3
129.05511	1.5
129.07014	2.3
130.07733	1.6
131.08580	11.1
131.21953	1.2
133.10146	10.7
135.08049	3.1
135.11702	21.6
137.09621	3.8
143.08562	2.0
145.10123	20.3
147.08070	2.6
147.11732	6.7
149.09659	2.3
149.13254	4.6
153.12784	11.9
155.08542	2.0
157.10086	1.7
159.11649	7.1
161.09605	1.7
161.13274	3.1
163.11185	24.6
163.14813	3.0
171.11839	1.6
173.09653	3.0
173.11873	1.9
173.13315	3.1
175.11139	1.8
175.14836	1.4
181.12228	5.6
183.11728	1.5
187.14848	1.7
189.11214	1.5
191.10693	6.0
199.13235	1.4
209.11734	13.7
227.12799	11.3
229.14359	3.6
261.22095	11.2
265.14401	4.3
267.15894	2.9
283.15427	18.5
286.11530	1.3
289.18179	1.3
301.16452	36.5
317.24820	2.5
335.25818	64.9
399.23761	2.0
433.31082	1.9
445.20575	3.1
451.32092	3.0
469.33142	2.9
525.35675	12.2
543.36829	55.5
544.37665	1.9
561.37878	100.0
562.37744	2.3
641.44086	7.1
659.44897	2.8
705.42047	6.0
856.53345	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	856.542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	2.1
65.03942	5.6
67.05509	84.9
69.03433	13.3
69.07072	47.1
70.06586	2.7
70.67057	2.5
71.04995	6.8
73.02892	2.0
77.03941	1.8
79.05499	74.8
81.03426	21.7
81.07062	100.0
83.04986	14.3
83.08617	17.5
85.02908	6.7
85.06557	4.7
85.67169	1.2
86.09732	1.5
91.04900	2.6
91.05486	66.4
93.07050	75.7
95.04967	15.0
95.08611	48.2
97.02904	6.8
97.06532	21.3
97.10173	10.6
99.04449	2.2
99.08096	4.2
101.76634	1.4
103.05495	2.9
105.04522	2.7
105.07040	50.2
107.04970	13.9
107.08598	47.1
109.02904	3.5
109.06546	9.9
109.07233	1.8
109.10162	18.2
110.31684	1.3
111.08096	6.8
113.09622	2.4
115.05461	3.1
116.06242	1.8
117.07017	25.9
117.07846	1.6
118.06527	1.3
119.08589	36.7
121.06509	8.2
121.10162	19.4
123.04448	1.5
123.08089	6.1
123.11708	6.9
125.09655	8.5
127.03925	5.2
128.06229	1.9
129.05504	1.8
129.07018	10.5
130.07785	2.3
131.04974	1.3
131.08582	31.6
131.58527	1.1
133.06509	2.8
133.10144	30.0
133.11104	2.2
135.08067	7.5
135.11699	20.1
137.09641	5.8
137.13307	2.0
139.07576	1.3
141.07002	3.5
142.07820	1.9
143.08582	9.2
143.28801	1.4
145.06511	2.7
145.10136	22.4
147.08031	3.6
147.11703	16.5
149.09631	18.3
149.13260	14.4
151.11211	4.4
155.08565	5.6
157.10126	7.3
159.08070	2.3
159.11703	21.1
161.09660	3.8
161.13264	10.2
163.11171	12.0
163.14899	1.7
169.10208	6.4
171.10310	2.0
171.11664	7.5
173.04454	2.8
173.09682	2.4
173.13258	9.0
175.11180	4.6
177.12790	6.0
179.14311	3.2
181.10077	2.7
181.12262	2.8
183.11732	6.0
185.13286	5.1
187.11259	3.0
187.14778	2.5
189.11237	5.7
189.12762	2.6
195.11957	2.7
195.13818	7.7
197.13284	4.8
199.14841	3.5
199.53146	1.4
209.13313	2.5
210.88383	1.3
211.14914	2.1
215.17900	1.7
217.15817	2.0
227.12772	10.8
229.14447	3.8
229.19550	3.9
233.18887	1.5
235.16821	1.5
239.17905	4.2
245.13937	1.9
247.20636	5.1
249.14693	1.5
251.16362	1.6
255.15909	14.9
257.19040	13.3
259.20572	1.7
267.15906	4.1
269.17496	42.6
273.18503	1.8
275.20090	50.9
293.21039	4.1
331.22775	4.0
349.23740	41.9
367.24896	7.5
413.21838	2.5
423.27591	1.9
431.27866	2.2
435.27460	4.1
445.29639	3.6
447.31216	1.7
449.29034	24.6
451.32205	3.0
463.30557	29.1
503.33600	3.1
511.34622	2.0
515.30017	1.5
515.37183	2.1
525.35785	6.3
529.35242	11.2
543.36835	41.9
547.36340	3.3
561.37946	7.4
607.34387	2.2
623.43054	8.3
641.43799	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	856.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	4.3
67.05510	100.0
69.03425	7.5
69.07076	23.0
70.64056	2.0
70.64367	3.7
71.05011	11.3
75.32040	2.1
79.05498	69.4
81.03418	11.9
81.07060	95.6
83.04974	9.6
83.08625	15.4
85.02920	4.5
85.06538	6.7
85.68726	2.2
85.96652	1.9
91.04906	3.2
91.05484	56.7
93.07050	86.5
95.04962	9.7
95.08614	63.1
97.02885	2.9
97.06546	13.4
97.10177	6.6
105.04524	2.0
105.07040	38.0
107.04964	5.2
107.08604	48.1
109.06528	7.4
109.10167	37.0
111.04501	3.0
111.08092	4.6
117.07018	20.8
119.08592	27.0
121.06514	3.5
121.10161	35.6
123.08088	5.7
123.11725	7.7
125.09595	5.5
128.06303	2.4
129.05475	3.0
129.07007	5.1
131.08563	21.7
133.10146	23.4
135.08044	5.3
135.11703	15.5
137.09613	3.9
141.07030	2.1
143.08569	4.6
145.10107	18.5
147.11713	13.2
147.46251	2.0
149.09627	5.7
149.13274	11.9
155.08528	3.0
157.10141	5.8
159.11705	15.7
161.13326	5.7
163.11179	3.9
163.14804	2.6
169.10081	2.2
171.11569	4.0
173.04457	2.2
173.11702	5.6
173.13258	7.5
175.14865	3.8
177.12772	2.8
183.11705	3.4
185.13234	4.4
187.14807	2.2
195.13786	3.5
199.14856	2.3
217.15779	2.2
225.82497	1.9
227.12698	3.9
229.14384	19.4
235.42671	1.8
239.17940	2.9
243.21162	2.8
257.19052	4.5
259.20651	2.9
261.22208	11.1
267.16141	4.2
269.17453	9.9
275.20053	15.8
335.25815	75.5
339.17801	2.7
349.23819	17.6
381.26401	2.7
413.21799	7.2
439.73526	2.2
489.35776	20.4
507.36969	3.3
529.38928	73.8
530.39099	2.6
543.36224	2.3
561.37653	4.1
569.42072	31.6
609.45178	33.1
641.47632	12.0
673.42859	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	861.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.7
65.03935	0.4
67.05510	6.6
69.03431	2.6
69.07072	0.8
69.64281	1.1
71.01340	0.3
71.05001	0.4
73.02924	3.3
73.82159	0.2
79.05498	2.0
81.03419	1.8
81.07060	3.1
83.08631	0.7
84.19488	0.2
85.02909	4.5
85.06536	0.3
87.04446	0.4
91.03960	3.2
91.05480	1.6
93.07051	2.3
95.08613	2.7
97.02896	4.5
97.06544	0.2
98.20854	0.4
99.04442	0.8
101.02380	1.7
103.03967	0.4
105.07046	0.7
107.08609	1.2
109.02882	0.7
109.06542	0.3
109.10161	6.4
111.08089	0.3
115.03947	0.4
117.06992	0.3
119.08582	1.0
121.10117	0.9
123.11742	0.2
127.03909	1.6
129.05492	0.5
131.08635	0.5
133.10147	0.5
135.11746	0.6
137.09625	0.4
145.04994	0.6
145.10175	0.2
147.11769	0.3
149.13208	0.3
155.10664	0.6
159.11690	0.3
161.13301	0.2
173.11792	1.7
173.13232	0.3
185.04195	1.3
195.09930	0.7
201.03783	0.2
201.07611	0.3
203.05377	0.4
229.14351	1.1
241.06812	0.2
243.08432	2.3
251.12592	0.3
261.22186	0.2
301.09024	2.4
315.10519	0.9
335.25864	0.8
355.13571	0.3
357.15436	0.3
369.15271	0.4
371.16864	0.5
373.11148	1.5
385.18323	1.9
413.17847	9.5
429.17484	0.6
441.21057	0.4
443.18918	0.3
455.18808	0.2
457.20663	0.5
469.20435	1.0
483.22684	0.2
483.34528	1.2
499.24908	0.2
509.23575	0.5
510.23904	0.3
519.29352	8.1
520.29626	0.2
523.25293	0.3
529.35315	0.3
549.27502	0.2
553.30286	0.2
578.30505	2.9
583.26483	0.3
591.31354	1.3
607.34650	0.2
619.34766	0.3
633.35907	0.5
647.38562	0.4
661.39319	0.4
662.39886	1.9
691.40283	100.0
692.40637	3.2
705.40399	0.2
717.42047	0.8
719.43304	2.0
746.42151	0.2
747.42950	2.3
763.42688	0.5
779.70648	0.2
791.41711	0.2
792.42468	0.3
793.43152	0.5
861.49591	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	861.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	3.2
65.03937	0.6
67.05190	0.5
67.05510	6.0
69.03433	2.2
69.07068	2.7
71.01362	0.5
71.04980	1.1
71.52371	0.6
73.02920	3.0
79.05501	5.1
81.03424	4.3
81.07060	6.3
82.07380	0.4
83.04971	1.0
83.08595	1.4
85.02908	3.5
85.17283	0.4
87.04479	0.5
91.03952	1.5
91.05476	4.2
93.07051	4.1
95.04960	1.3
95.08615	2.9
97.02902	3.2
97.06550	0.7
97.10182	0.5
99.04438	0.8
99.08080	0.4
101.02379	1.2
105.07042	2.4
107.04913	0.6
107.08593	2.3
109.02857	0.6
109.06546	0.5
109.10155	1.2
111.08077	0.4
117.07018	0.9
119.03519	0.4
119.08601	1.7
121.10137	1.5
127.03944	0.7
129.06985	0.3
131.08554	1.1
133.10126	1.4
135.08055	0.5
135.11707	1.5
136.06194	46.5
137.04785	0.6
137.06665	4.7
143.08615	0.3
145.10133	0.7
147.11705	0.8
149.13318	0.5
159.11697	0.6
162.54646	0.3
168.41776	0.3
175.11224	0.5
193.12242	0.5
215.67888	0.4
235.32715	0.4
243.08420	2.7
257.19070	0.4
267.16034	2.3
268.16409	1.0
305.23901	0.4
333.20505	3.5
335.25928	1.1
336.26309	1.0
389.23199	1.2
439.19589	2.1
453.20724	1.8
469.20972	0.4
546.38837	0.7
551.28271	11.0
551.36407	0.7
681.44653	1.0
699.45367	2.1
843.49158	1.8
861.49701	100.0
862.50665	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	866.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.8
65.03929	0.9
67.05509	27.1
69.03408	1.4
69.07076	12.8
69.31913	4.4
71.04985	1.2
71.08635	12.1
71.28375	0.5
73.02915	2.7
79.05498	11.6
81.03386	0.6
81.07061	35.5
83.04956	2.0
83.08175	0.6
83.08620	10.2
85.02911	6.8
85.06527	2.1
85.09746	0.6
85.10188	7.4
89.06036	0.7
91.03976	3.9
91.05490	5.4
93.07048	21.7
95.04949	2.0
95.08614	16.1
97.02899	2.9
97.06535	4.9
97.10145	2.6
99.08071	1.4
105.07023	2.7
107.08596	12.4
109.10166	5.9
111.08075	3.1
111.11681	1.5
117.07010	3.9
119.08584	1.0
121.10152	8.8
123.11722	3.1
125.13276	0.6
127.03858	0.8
131.08582	3.6
133.10120	2.2
135.08002	0.7
135.11707	4.1
137.13159	0.8
139.11203	0.9
145.04939	1.8
147.11726	0.9
149.12047	0.9
149.13261	17.4
159.11700	6.7
163.05994	2.1
177.12766	3.4
195.13837	5.2
239.23608	1.0
257.24692	0.9
260.81680	0.6
269.17487	91.5
270.17825	0.8
281.70111	0.5
313.27383	45.4
314.27603	1.1
485.53104	0.6
507.40475	100.0
508.40863	2.0
619.93365	0.6
723.53967	0.5
874.86963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.3
64.16694	1.0
65.03922	1.4
67.05511	27.5
69.03441	5.4
69.07069	15.9
69.60636	6.0
70.92397	1.1
71.04987	7.1
71.08623	4.9
73.02917	2.1
79.05495	17.4
81.03418	4.4
81.07061	29.0
83.05001	5.2
83.08617	5.4
85.02918	5.3
85.03418	0.8
85.03519	0.8
85.06538	2.5
85.10185	2.1
91.03956	3.4
91.05489	16.1
93.07047	17.1
95.04973	5.2
95.08617	13.6
97.02901	5.7
97.06536	25.3
97.10178	1.4
99.04446	1.9
99.08075	1.5
105.07034	13.8
107.04948	2.2
107.08589	14.2
109.02860	1.1
109.06516	6.2
109.10162	23.5
109.10856	2.2
109.90049	1.0
110.96590	0.9
111.05224	1.0
111.08112	1.7
113.06051	1.9
115.07576	15.2
117.07023	4.0
119.08582	4.2
121.06538	1.4
121.10149	5.0
123.08081	1.7
123.11711	4.8
127.03911	3.9
127.07610	1.1
131.08571	4.4
133.10136	27.7
135.08038	1.5
135.11703	3.5
143.08578	2.3
145.05022	1.3
145.10150	2.8
147.11737	1.6
149.13263	3.6
151.11192	12.6
157.10110	1.9
159.11688	4.0
161.09650	1.9
161.13261	1.6
163.06107	1.0
169.12225	2.0
173.04469	6.7
177.12813	1.6
195.13770	1.5
215.12749	1.7
217.15997	1.3
218.20764	1.3
245.19043	1.6
253.14366	100.0
254.14700	1.4
255.17566	1.4
261.22186	4.8
269.17465	7.8
271.15387	19.0
273.18497	8.5
291.19626	4.7
297.17056	1.5
313.27368	21.2
317.24850	1.5
322.31601	1.2
335.25809	35.1
347.22156	3.1
365.23135	5.1
509.38345	32.4
515.37329	1.7
529.38995	22.4
531.37256	1.3
607.43457	2.2
625.44568	7.2
643.45355	4.6
843.96307	1.2
868.57153	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	868.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.3
64.16694	1.0
65.03922	1.4
67.05511	27.5
69.03441	5.4
69.07069	15.9
69.60636	6.0
70.92397	1.1
71.04987	7.1
71.08623	4.9
73.02917	2.1
79.05495	17.4
81.03418	4.4
81.07061	29.0
83.05001	5.2
83.08617	5.4
85.02918	5.3
85.03418	0.8
85.03519	0.8
85.06538	2.5
85.10185	2.1
91.03956	3.4
91.05489	16.1
93.07047	17.1
95.04973	5.2
95.08617	13.6
97.02901	5.7
97.06536	25.3
97.10178	1.4
99.04446	1.9
99.08075	1.5
105.07034	13.8
107.04948	2.2
107.08589	14.2
109.02860	1.1
109.06516	6.2
109.10162	23.5
109.10856	2.2
109.90049	1.0
110.96590	0.9
111.05224	1.0
111.08112	1.7
113.06051	1.9
115.07576	15.2
117.07023	4.0
119.08582	4.2
121.06538	1.4
121.10149	5.0
123.08081	1.7
123.11711	4.8
127.03911	3.9
127.07610	1.1
131.08571	4.4
133.10136	27.7
135.08038	1.5
135.11703	3.5
143.08578	2.3
145.05022	1.3
145.10150	2.8
147.11737	1.6
149.13263	3.6
151.11192	12.6
157.10110	1.9
159.11688	4.0
161.09650	1.9
161.13261	1.6
163.06107	1.0
169.12225	2.0
173.04469	6.7
177.12813	1.6
195.13770	1.5
215.12749	1.7
217.15997	1.3
218.20764	1.3
245.19043	1.6
253.14366	100.0
254.14700	1.4
255.17566	1.4
261.22186	4.8
269.17465	7.8
271.15387	19.0
273.18497	8.5
291.19626	4.7
297.17056	1.5
313.27368	21.2
317.24850	1.5
322.31601	1.2
335.25809	35.1
347.22156	3.1
365.23135	5.1
509.38345	32.4
515.37329	1.7
529.38995	22.4
531.37256	1.3
607.43457	2.2
625.44568	7.2
643.45355	4.6
843.96307	1.2
868.57153	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	869.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02895	2.9
61.94059	2.2
64.90137	2.0
65.03928	4.8
67.05510	68.9
69.03152	2.0
69.03439	23.4
69.07064	14.9
70.06587	2.6
70.62557	2.4
71.04982	8.5
71.52844	2.1
71.53285	2.3
79.05495	57.9
79.90739	2.0
80.00902	1.9
81.03420	80.8
81.06596	3.6
81.07059	66.3
83.04993	18.8
83.08620	22.4
84.38414	1.9
85.02908	25.8
91.03915	2.4
91.05483	50.2
93.07040	53.4
95.04969	26.6
95.08607	42.9
97.02898	22.5
97.06527	9.8
97.07081	2.1
97.10159	4.4
99.04458	3.8
99.08154	2.2
105.04487	2.9
105.07027	30.2
107.04971	6.9
107.08602	26.6
109.02878	9.8
109.06475	3.7
109.10150	20.1
111.04460	10.2
111.08070	9.3
113.05981	2.4
115.05415	4.2
117.07027	10.0
119.08593	28.8
121.06480	3.6
121.10140	24.8
123.04438	3.7
123.08080	4.0
123.11717	4.9
125.09634	4.3
127.03908	10.5
129.05504	6.6
129.06993	12.0
131.08583	21.6
133.06520	4.3
133.10127	19.2
135.08020	4.3
135.11687	12.6
137.09599	3.7
137.13289	3.4
139.61595	2.4
141.06969	2.7
142.07788	4.3
143.08559	3.0
145.10085	11.6
147.08084	3.5
147.11717	18.4
149.09618	7.5
149.13298	3.2
153.12686	2.5
155.08458	2.9
157.10114	11.7
159.11697	6.3
161.13217	4.8
163.03949	2.3
163.11220	3.6
163.14891	3.0
165.12743	4.2
173.04520	5.8
173.13257	6.9
175.11188	13.6
193.12262	34.3
201.12762	2.5
211.13255	43.5
227.12724	3.4
229.14436	4.5
234.13098	1.9
243.21010	2.9
249.14880	2.8
261.22134	6.1
267.15924	18.5
273.14804	2.1
285.16959	18.0
287.20157	2.1
301.14240	2.6
335.25809	69.0
353.51849	2.1
355.17593	3.2
369.24103	4.6
407.87845	2.4
411.20264	4.1
429.21158	14.6
435.32559	2.2
461.28738	2.9
479.30197	3.0
527.37262	14.4
545.38422	100.0
545.46918	5.2
569.37872	2.7
671.41083	4.7
689.42755	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	869.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.7
65.03938	3.2
67.05510	54.7
69.03118	2.2
69.03432	18.4
69.07076	14.2
70.06580	1.7
71.01358	2.1
71.04981	6.2
73.02917	1.7
75.60403	2.2
79.05080	3.2
79.05502	52.4
81.03422	69.5
81.06592	3.5
81.07061	60.9
83.04988	19.9
83.08629	23.2
85.02903	19.1
85.06546	3.5
89.29505	1.8
91.03941	2.4
91.05488	37.5
93.06486	3.1
93.07051	49.6
95.04976	27.4
95.08620	39.7
97.02902	18.4
97.06524	7.6
97.10175	7.1
98.43698	2.3
99.04464	3.3
99.08112	2.1
105.07041	28.9
107.04950	8.1
107.08593	24.0
109.02885	9.3
109.06518	4.5
109.10169	14.5
111.04445	7.0
111.08089	9.7
117.07016	9.0
119.08588	27.0
121.06550	2.2
121.10157	23.6
123.04408	3.5
123.08097	3.9
123.11712	7.2
125.09686	4.0
127.03931	10.0
129.05470	5.9
129.07021	12.4
131.08562	17.5
133.06488	2.7
133.10115	19.2
135.08047	2.1
135.11696	10.9
137.05864	2.0
137.09753	2.6
142.07808	3.2
143.08524	4.3
145.10092	9.3
147.08046	4.8
147.11699	14.2
149.09612	7.4
149.13290	4.0
153.12766	2.9
157.08998	2.0
157.10103	12.7
159.11723	3.9
160.70172	1.9
161.13249	4.5
163.03969	2.4
163.11211	2.8
165.12703	3.2
171.11746	2.6
173.04507	3.5
173.13298	3.5
175.11212	10.8
181.12216	2.2
187.14807	3.3
193.12245	31.6
199.14897	2.6
211.13309	38.2
227.12782	3.1
229.14302	4.5
261.22089	7.1
267.15912	19.1
285.16989	21.3
297.98965	2.1
299.34796	2.4
335.25818	64.0
355.17453	3.5
369.24368	2.9
411.20157	3.8
429.21155	13.5
453.33347	2.3
479.30212	2.1
527.37653	18.0
545.38391	100.0
546.38593	3.3
653.40009	3.8
671.41327	5.3
672.41809	1.8
689.42688	33.6
751.30182	2.3
853.62720	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	872.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.3
67.05513	100.0
69.03442	14.7
69.07075	70.1
69.23628	2.6
70.06590	3.6
71.05006	20.3
71.52081	5.4
73.02924	7.7
76.16544	2.7
79.05499	74.9
81.03426	30.4
81.06593	5.4
81.07065	98.6
83.01250	3.0
83.04993	17.8
83.08646	24.0
84.04516	8.3
85.02917	10.6
85.06560	6.2
86.97532	3.2
91.05492	77.1
93.07055	70.7
95.04972	24.4
95.08618	51.3
97.02869	8.7
97.06538	87.3
97.10185	13.8
99.08092	6.1
103.05457	4.3
105.07037	61.1
105.39658	2.7
107.04967	15.3
107.08611	51.5
109.02896	6.5
109.06544	20.4
109.10149	25.7
111.08083	11.9
112.94040	2.6
113.06056	5.1
115.05429	4.1
115.07605	20.8
117.07011	25.4
119.08595	44.7
121.06506	9.9
121.10162	22.9
123.04453	2.9
123.08079	10.1
123.11732	6.0
125.09648	9.6
127.03939	6.9
129.05476	3.6
129.07013	13.3
130.05002	7.4
131.08577	38.6
133.06499	7.2
133.10147	38.6
135.08076	20.5
135.11697	19.6
137.09616	7.7
141.07008	3.6
142.07845	3.3
143.08592	11.2
145.06531	4.7
145.10120	26.0
147.07771	9.4
147.11671	19.5
149.09656	14.5
149.13251	12.2
151.11197	7.0
155.08514	5.8
157.10133	16.8
159.08090	3.9
159.11700	20.2
161.09607	6.6
161.13246	7.1
163.03963	3.0
163.11179	9.6
169.10118	9.3
171.11681	9.7
173.04475	7.6
173.09651	3.8
173.13257	8.5
175.11217	3.8
177.12776	9.5
179.14355	4.8
181.10229	4.7
181.12288	4.0
183.11769	4.2
185.13301	8.1
187.11208	5.7
189.11258	7.4
189.12839	3.6
195.13795	9.5
211.14845	4.1
217.15875	9.6
227.12791	9.2
227.17856	4.5
229.14459	6.1
233.15361	5.0
245.19037	5.0
253.14333	12.7
255.15790	5.1
257.19043	8.1
267.15884	7.6
269.17517	30.7
273.18512	33.6
275.20093	29.1
291.19568	22.4
307.19086	5.8
347.22165	8.4
349.23834	22.3
351.73676	3.2
365.23251	13.8
449.29166	5.8
463.30472	12.1
519.32941	5.1
541.35144	4.9
543.36560	16.4
559.36157	11.9
620.57825	3.0
621.41699	5.5
639.42365	8.9
790.75006	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	878.547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	2.7
65.03939	0.9
67.05508	17.6
69.03430	1.0
69.07070	6.5
69.69265	3.4
71.04983	0.9
71.08630	10.7
72.08150	1.6
73.02918	1.2
73.06558	0.7
77.03909	0.6
79.05499	23.2
81.03410	3.1
81.06595	1.1
81.07061	18.3
83.04994	4.5
83.08621	6.8
85.02900	3.0
85.06547	1.3
85.10192	5.6
89.06049	0.6
91.03954	2.0
91.05482	19.3
93.07045	24.8
95.04964	5.6
95.08611	16.2
97.02867	1.1
97.06529	1.1
97.10181	2.9
98.20823	0.7
100.66562	0.6
105.04527	1.3
105.07030	13.9
107.04944	2.0
107.08594	5.9
109.06519	2.0
109.10155	4.2
111.08102	0.9
115.05463	0.8
117.07034	2.4
118.03304	0.6
119.08586	9.1
121.06518	1.2
121.10161	1.8
123.08067	2.5
123.11749	1.1
127.03915	0.7
128.06227	1.1
129.07013	6.0
131.08626	0.9
133.10161	3.2
135.11707	1.1
137.13269	0.6
143.08598	4.1
145.10124	3.2
147.08057	1.1
147.11691	14.3
159.11559	0.5
159.26971	0.5
161.09612	1.2
161.13280	5.1
171.11687	10.1
189.12778	3.4
207.13815	13.4
207.15768	0.8
225.14777	0.5
239.23643	1.2
257.24710	1.5
281.17487	46.7
282.17844	0.7
306.16074	0.5
313.27371	36.4
326.51715	0.5
512.23053	0.5
519.40460	100.0
520.41034	1.7
566.33179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	7.7
65.03921	0.5
67.05507	11.3
69.03432	2.2
69.07074	7.1
69.61470	0.8
69.61882	1.3
71.01320	0.8
71.04992	2.2
71.08636	17.9
71.09010	0.7
71.96049	0.3
73.02911	2.9
74.13831	0.4
79.05499	10.3
81.03420	5.9
81.07055	16.4
82.43256	0.4
83.01343	3.8
83.04979	5.3
83.08622	10.8
85.02908	11.9
85.06539	0.8
85.10184	10.7
89.06001	1.2
91.03439	0.5
91.03957	6.7
91.05478	6.3
93.07048	13.9
95.04974	3.0
95.08611	18.9
96.04401	0.5
97.02894	7.1
97.06540	2.2
97.10184	4.1
99.04456	2.0
99.11712	0.8
103.07575	1.0
105.07035	4.6
107.04958	3.8
107.08592	8.5
109.02847	0.6
109.06519	3.0
109.10161	7.2
111.04411	1.1
111.08070	0.9
111.11639	0.7
115.03873	0.4
117.07021	3.8
119.08585	4.5
121.06502	2.2
121.10138	4.6
123.08062	3.9
123.11753	1.9
125.05943	1.1
125.09579	0.9
125.13236	0.8
127.03915	2.5
129.06955	0.7
130.07748	0.7
131.08569	1.8
133.10101	1.2
135.08047	0.9
135.11691	10.8
137.09618	0.6
137.13235	1.0
139.07527	0.5
145.04964	2.9
145.05963	0.4
145.10124	11.2
147.07991	1.4
149.05916	0.4
153.12727	1.7
155.08484	0.8
162.07503	0.5
163.06018	4.2
163.11182	19.6
173.09642	2.3
181.12236	2.6
191.10687	1.6
209.11719	3.5
227.12788	9.2
239.23674	1.8
257.24762	1.4
283.15405	85.6
284.15753	1.2
313.27365	97.4
314.27722	1.2
329.41840	0.5
430.87100	0.6
521.38391	100.0
522.38715	2.8
530.79352	0.4
895.66431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	8.5
65.03912	0.7
67.05509	9.9
69.03434	1.9
69.07073	5.1
70.91920	0.6
71.01336	0.7
71.04995	2.1
71.08636	15.0
71.48067	0.2
73.02927	3.0
76.35754	0.2
77.03896	0.2
79.05499	8.5
81.03426	6.5
81.07060	14.9
83.00845	0.3
83.01341	5.1
83.04989	5.5
83.08624	9.4
85.02911	12.1
85.06509	0.8
85.10189	8.4
87.04481	0.4
89.06002	0.8
91.03960	6.8
91.05488	6.2
93.07051	11.9
95.04470	0.3
95.04977	3.3
95.08613	12.4
96.04468	0.3
97.02319	0.4
97.02898	6.4
97.06535	2.8
97.10176	2.8
99.04460	2.0
99.08049	0.4
99.11703	0.7
103.05439	0.4
103.07546	0.8
105.04507	0.2
105.06396	0.4
105.07041	4.5
107.04964	4.9
107.08608	6.6
109.02846	0.7
109.06526	3.9
109.10162	5.6
111.04465	1.6
111.08048	1.0
111.11682	0.9
115.03909	0.4
117.05539	0.3
117.07028	3.5
119.08591	4.3
121.06541	1.7
121.10150	4.0
123.04408	0.4
123.07220	0.3
123.08074	4.8
123.11734	2.0
125.05979	1.0
125.09610	0.7
125.13219	0.3
127.03931	3.0
129.07013	1.1
130.07768	0.8
131.04884	0.4
131.08592	1.8
133.10104	0.8
134.75142	0.2
135.04428	0.2
135.08090	1.1
135.10719	0.4
135.11697	7.1
137.09593	0.9
137.13231	0.8
139.07518	0.3
139.11142	0.2
143.08592	0.4
143.29848	0.2
145.04967	3.0
145.06467	0.6
145.10132	9.3
147.08015	1.4
149.06004	0.4
149.09608	0.5
153.12717	1.6
155.08519	1.0
163.04742	0.3
163.06039	4.4
163.11195	14.3
173.09627	2.5
180.08589	0.4
181.12263	2.1
191.10666	1.7
209.11732	3.9
227.12770	1.9
239.23633	1.2
257.24753	1.6
283.15411	100.0
284.15787	1.1
313.27380	69.5
314.27737	1.1
324.18213	0.3
460.79184	0.3
521.38422	47.9
522.38843	1.4
716.10406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.0
67.05510	18.9
69.03437	5.4
69.07072	4.0
69.84127	1.8
71.04999	9.4
79.05499	6.3
81.02944	0.3
81.03423	8.0
81.07061	100.0
82.07389	0.5
83.08614	2.3
85.02907	7.3
85.06546	5.7
89.06033	2.6
89.96386	0.3
91.05473	2.4
93.07050	11.2
94.04228	0.5
95.04974	5.8
95.08612	20.3
97.02898	3.8
97.06538	1.0
97.10177	10.9
99.04465	2.2
99.08115	1.9
105.07037	3.0
107.08585	4.4
108.04483	0.4
109.02137	0.5
109.02880	10.4
109.03598	0.6
109.06512	3.3
109.10172	3.0
111.04428	0.8
111.08085	3.9
113.06021	0.9
117.06990	0.6
121.06503	1.4
121.10173	1.9
122.03635	1.4
123.08102	1.1
123.11713	84.4
125.09627	0.6
127.03927	13.2
133.10133	5.2
133.62938	0.4
137.05984	26.0
139.11208	1.3
141.12758	2.4
145.04994	0.7
146.07275	1.1
149.06018	1.8
151.07574	3.7
151.11186	16.7
159.07927	0.4
161.05956	0.5
163.03897	0.5
165.05453	0.7
169.12247	62.6
175.07533	0.4
177.05566	0.8
177.09125	4.1
179.07240	0.4
187.13306	31.1
189.09154	0.6
191.84543	0.4
219.10072	0.5
229.14362	5.2
231.13742	0.4
237.11188	1.2
249.14890	1.8
271.15259	0.3
274.09842	0.4
277.11942	0.4
277.14435	6.6
290.09433	0.4
295.15454	22.7
305.11703	4.4
313.16443	12.7
313.20074	0.5
323.12766	1.5
331.17520	62.5
332.17923	0.7
337.14343	1.8
355.10849	0.4
355.15381	10.1
373.16464	18.4
457.21204	0.4
463.17117	0.5
546.22443	0.4
583.92267	0.3
626.14136	0.4
792.83759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.9
67.05510	17.3
69.03433	3.5
69.07076	7.6
69.07388	0.2
69.46407	0.5
69.46816	1.7
71.01350	0.3
71.04996	3.3
71.08636	17.1
73.02922	2.8
77.03950	0.3
79.05500	13.3
81.03423	40.0
81.07063	23.0
83.04990	8.2
83.08624	19.3
85.02909	23.8
85.06535	1.0
85.10187	10.2
87.04475	0.5
89.06033	0.8
90.45569	0.3
91.03963	6.6
91.05486	18.5
93.07048	9.2
95.04974	15.6
95.08613	17.7
97.02898	7.6
97.06537	2.1
97.10175	4.6
99.04467	0.9
99.08096	0.9
99.11742	0.8
101.06009	0.4
102.62257	0.3
103.07497	0.5
105.07038	12.4
107.04964	4.7
107.08601	4.1
108.06023	0.3
109.02892	0.6
109.06535	3.3
109.10160	7.5
111.04453	1.5
111.08087	7.3
111.11738	0.8
113.06049	1.8
115.03930	0.4
115.05476	0.9
115.07586	0.3
117.07018	0.7
119.04961	0.4
119.08588	11.0
121.06514	1.2
121.10149	5.1
121.11023	0.3
123.08098	1.5
123.11726	4.5
125.09622	1.0
127.03915	2.4
127.07594	0.6
128.06253	0.5
129.07021	6.7
131.08574	7.0
133.06532	1.7
133.10143	7.5
133.11110	0.6
135.11685	0.4
137.09601	1.3
137.13344	0.7
139.11217	0.3
141.06990	0.3
142.07802	1.5
145.04941	2.4
145.10100	1.1
147.08073	2.0
147.11697	10.2
149.09647	4.2
151.11217	0.4
153.39037	0.3
157.10144	9.3
163.06015	3.0
163.11171	0.5
165.12759	2.2
165.16409	0.3
175.11191	9.6
183.13902	0.3
193.12257	30.1
196.03175	0.3
211.13300	40.7
212.13770	0.5
239.23737	1.6
246.34296	0.3
249.14847	0.9
257.24796	1.3
267.12970	0.5
267.15927	16.1
285.16980	60.1
286.17288	0.8
313.27380	62.9
314.27783	0.9
447.95694	0.3
505.38904	13.9
523.39984	100.0
524.40192	1.7
656.80176	0.3
667.43542	0.6
918.36243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.5
66.28047	0.2
67.05507	12.5
69.03432	2.8
69.07069	7.4
70.30998	0.2
71.04992	2.2
71.08636	16.1
71.52811	0.5
73.02918	2.3
73.06539	0.3
76.28973	0.2
79.05498	9.4
81.03422	27.3
81.07063	17.5
83.04989	6.4
83.08621	16.6
85.02911	17.7
85.06557	1.3
85.10188	9.2
85.10693	0.2
87.04455	0.6
89.06039	1.2
91.03959	5.1
91.05484	12.9
93.07047	7.0
95.04977	11.3
95.08611	16.0
96.04462	0.4
97.02900	5.8
97.06525	1.7
97.10177	4.9
99.04428	0.9
99.08058	0.7
99.11707	0.8
101.05973	0.3
103.07569	0.6
105.07033	9.5
107.04958	3.3
107.08009	0.2
107.08604	2.9
109.02852	0.6
109.06530	2.2
109.10162	7.1
111.04405	0.9
111.08085	4.4
111.11678	0.4
113.05975	1.1
115.05456	0.5
117.06958	0.7
117.09116	0.3
119.04945	0.3
119.08591	8.7
121.06487	0.6
121.10151	4.0
123.08085	1.2
123.10976	0.3
123.11710	3.5
125.09660	0.6
127.03954	1.4
127.07549	0.3
128.06194	0.2
129.07010	4.8
131.08571	5.4
133.06462	1.1
133.10138	5.4
135.11690	0.3
137.09593	1.0
137.13239	1.0
142.07813	1.4
145.04965	1.7
145.10152	0.5
147.08055	1.5
147.11691	7.3
149.09636	2.8
149.13249	0.4
157.10147	7.8
157.24242	0.2
161.26337	0.2
163.06018	2.4
163.11168	0.6
165.12770	1.6
175.11201	7.0
193.12256	22.2
211.13300	21.9
221.22804	0.4
230.61795	0.2
239.23814	1.6
249.14784	0.5
249.18510	0.4
257.24725	1.6
267.15930	12.6
285.16974	34.2
286.17392	0.3
298.27319	0.3
310.94440	0.2
313.27371	68.0
314.27786	1.0
404.70929	0.3
429.21652	0.3
502.67587	0.3
505.38910	17.2
506.39108	0.5
523.39972	100.0
524.40216	2.0
667.43561	0.6
689.19696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.1
67.71674	0.3
69.03432	2.4
69.07050	0.3
69.65408	2.1
71.01342	0.6
71.04985	0.5
71.08635	1.8
73.02924	3.7
79.05512	1.0
81.03442	1.8
81.07063	2.3
83.08620	1.2
85.02908	4.7
85.10177	0.9
87.04519	0.3
91.03964	2.6
91.05487	0.6
93.07061	1.3
95.04956	0.4
95.08626	2.3
97.02896	5.2
97.10176	0.6
99.04472	0.7
101.02390	1.4
107.05025	0.4
107.08611	1.0
109.02871	0.9
109.10166	1.0
115.51714	0.4
117.07078	0.5
121.10143	0.6
127.03925	1.3
133.10197	0.4
135.11725	1.6
144.45456	0.4
145.10175	1.0
162.90070	0.4
163.11237	1.4
185.04213	0.5
197.53151	0.4
203.05360	0.6
204.57901	0.3
227.12825	1.9
243.08507	1.3
248.47316	0.4
249.11020	3.6
283.15512	0.3
286.17337	0.4
305.13757	1.1
313.27518	1.3
339.55014	0.4
347.09338	2.4
365.10623	0.8
405.13663	5.4
467.18921	8.5
485.04987	0.4
497.30890	5.4
497.37784	0.5
524.39819	0.7
525.41071	0.4
629.24158	6.7
659.36133	6.2
723.42609	2.8
885.48175	100.0
886.48450	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	885.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	1.2
69.03432	3.8
69.07075	0.4
70.08389	0.7
71.01360	0.7
71.05004	0.5
71.08640	1.4
72.14526	0.1
73.02921	4.3
75.04475	0.2
79.05488	0.9
81.03424	2.3
81.07062	1.3
83.01354	0.5
83.04992	0.6
83.08621	1.0
84.73795	0.1
85.02908	6.4
85.10178	0.8
86.61954	0.2
87.04488	0.5
91.03962	3.9
91.05480	0.7
93.07066	1.0
95.04972	0.3
95.08602	1.7
97.02898	5.7
97.06537	0.3
97.10176	0.3
99.04461	0.8
101.02383	2.4
103.03954	0.4
103.07603	0.2
105.07064	0.4
107.04959	0.3
107.08640	0.4
109.02877	1.0
109.06563	0.2
109.10130	0.7
111.08131	0.1
115.03959	0.4
117.07076	0.5
119.08621	0.5
121.06522	0.2
121.09307	0.2
121.10163	0.4
123.08135	0.3
123.11732	0.2
127.03923	1.8
129.05460	0.2
132.38194	0.1
135.08110	0.2
135.11691	0.7
137.13293	0.2
142.54613	0.1
145.04993	0.4
145.10138	0.7
155.08492	0.1
163.11172	1.3
181.12215	0.2
185.04234	1.0
201.03819	0.2
201.07484	0.2
201.27852	0.1
203.05357	0.6
209.11778	0.4
214.65619	0.1
227.12689	0.2
243.08432	2.2
249.11127	0.6
257.24936	0.2
259.07983	0.2
283.15332	0.7
305.13840	0.4
313.27368	1.1
341.27017	0.2
347.09497	2.4
363.09122	0.3
365.10632	0.9
405.13699	5.4
467.18906	8.2
497.30933	4.6
561.38171	0.2
629.24152	7.5
630.24664	0.2
659.36066	4.4
723.42914	2.4
885.48151	100.0
886.48334	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	887.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	2.3
69.03431	2.8
69.07063	0.5
71.01349	0.6
71.04988	0.6
71.08636	1.2
71.52831	0.3
73.02930	3.2
79.05508	1.2
81.03418	3.1
81.07054	2.9
81.28278	0.2
83.05000	0.5
83.08607	1.3
85.02907	6.1
85.10195	0.9
87.04488	0.5
91.03963	3.7
91.05492	1.6
93.07041	1.7
95.04964	0.6
95.08617	1.6
97.02892	4.0
97.03451	0.4
97.06575	0.4
97.10216	0.3
99.04488	0.7
100.71246	0.2
101.02383	1.7
103.03985	0.3
105.07075	1.0
107.08628	0.7
109.02911	0.8
109.10182	1.0
111.08090	0.3
115.03957	0.3
119.08633	0.6
121.10172	0.7
123.11806	0.2
127.03908	1.4
131.08600	0.4
133.10161	0.9
135.11691	0.3
145.04988	0.3
147.11778	0.4
149.09599	0.3
149.13377	0.2
157.10191	0.3
175.11224	0.5
175.95332	0.2
185.04266	0.6
193.12379	0.8
203.05232	0.6
211.13382	0.5
243.08366	1.4
251.12622	0.6
259.07935	0.3
269.17624	1.0
307.15274	0.5
313.27469	0.7
314.28040	0.3
335.25781	1.2
347.09445	2.5
363.09219	0.4
365.10770	0.7
397.05795	0.3
405.13654	4.7
405.18579	0.3
469.20422	7.3
497.30875	4.6
525.41290	0.3
526.41492	0.2
529.38971	2.3
631.25830	6.6
659.36060	4.1
725.44501	2.5
790.55493	0.3
887.49762	100.0
888.50067	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	887.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	2.1
69.03437	3.5
69.07070	1.0
69.72359	1.7
71.01373	0.7
71.04987	0.5
71.08617	1.4
73.02929	4.0
79.05505	1.3
81.03432	2.9
81.07062	2.8
83.08643	1.4
85.02910	6.9
85.10193	1.0
87.04465	0.4
91.03967	3.5
91.04998	0.4
91.05469	1.8
93.07071	0.8
95.04954	0.4
95.08628	1.8
97.02897	6.0
97.10172	0.6
99.04476	0.9
101.02396	1.8
103.03973	0.4
105.07072	1.0
107.04978	0.4
107.08596	0.5
109.02905	0.7
109.06584	0.4
109.10169	1.1
111.04461	0.4
112.04567	0.3
119.08628	0.8
123.11845	0.3
127.03922	2.1
129.07022	0.4
130.08723	0.4
131.08554	0.6
133.10167	0.8
135.11803	0.5
142.07884	0.3
145.04939	0.5
147.11700	0.3
167.87909	0.4
175.11191	0.4
185.04234	0.7
193.12245	0.7
203.05270	0.5
243.08553	1.2
251.12660	1.2
267.16119	1.0
268.16275	0.3
291.19635	0.8
313.27588	1.3
335.26105	0.5
336.26089	0.4
342.05634	0.3
347.09509	2.3
363.09131	0.4
365.10782	0.9
405.13669	4.8
467.01605	0.3
469.20529	4.6
497.30820	7.0
527.38348	0.5
528.37891	1.2
631.25677	3.8
659.36206	8.3
725.44714	2.0
887.49792	100.0
888.49567	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	888.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	2.2
67.05511	44.4
67.05844	1.9
69.03432	3.1
69.07077	15.5
71.04947	2.3
71.52114	1.0
73.02918	3.0
79.05500	28.7
81.03383	2.0
81.07063	57.1
82.07347	0.8
83.04996	4.0
83.08627	11.1
85.02912	8.8
85.06548	3.1
91.03968	5.2
91.05490	16.8
93.07052	48.5
95.04967	3.2
95.08614	28.6
95.09204	0.7
97.02923	4.7
97.06540	6.3
97.10117	2.4
99.04481	0.7
99.08054	1.8
99.25194	0.6
105.04498	0.8
105.06431	0.6
105.07038	9.1
107.04951	0.6
107.08607	25.4
109.06523	1.4
109.09502	0.6
109.10174	8.8
111.08092	3.9
111.11681	1.0
113.09613	1.2
115.03902	0.6
117.07018	5.9
119.08585	5.5
121.10153	19.6
123.08068	0.9
123.11724	3.3
125.00020	0.6
125.09618	1.0
127.03885	2.5
129.06970	0.9
131.08588	9.5
133.10143	8.2
135.07985	1.2
135.11707	9.0
139.11154	1.3
145.04924	2.2
145.10141	3.4
147.11710	4.0
149.13272	24.0
159.11710	9.8
161.13258	1.8
163.06004	1.9
163.14839	1.4
165.12724	0.8
167.14322	0.9
171.11604	0.7
173.13248	2.0
175.14774	0.9
177.12761	4.1
187.14748	1.5
195.13757	6.3
213.14824	0.8
228.22624	0.7
243.08194	0.9
243.21048	2.2
243.95656	0.8
261.22159	7.9
267.15854	3.0
269.17502	91.7
270.17877	1.0
317.24817	1.9
335.25821	48.0
347.09750	0.8
405.13669	1.2
406.14148	0.7
437.34262	1.8
455.35178	0.9
469.20499	1.4
470.21143	1.1
473.36087	0.8
497.30530	0.9
498.31732	0.6
511.37790	1.2
529.38934	100.0
530.39825	2.8
547.40643	3.2
632.26678	0.9
660.35992	0.9
726.44409	1.1
888.50214	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	900.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.9
67.05508	30.5
69.03425	0.7
69.07069	7.2
70.40587	0.6
70.97560	0.6
71.04980	1.2
71.08633	1.6
71.52757	0.6
71.53150	0.8
73.02912	1.1
73.06557	0.7
79.05499	33.5
81.03416	3.5
81.07060	28.5
83.04980	4.5
83.08627	4.5
85.02902	2.9
85.06554	1.4
91.03942	1.5
91.04911	0.8
91.05485	21.5
93.07050	33.3
95.04986	6.1
95.08612	22.7
97.02907	2.0
97.06534	2.4
97.10178	2.4
105.04536	1.2
105.07034	17.4
107.04949	3.0
107.08596	12.3
109.06513	1.8
109.10152	7.4
111.11703	0.6
116.27754	0.8
117.06282	0.9
117.07011	4.8
119.08599	11.8
121.06539	1.1
121.10150	7.2
123.08060	2.6
123.11757	1.9
128.06226	1.0
129.07013	5.6
130.07813	0.7
131.08551	3.2
131.42964	0.6
133.10143	7.0
135.11716	4.3
143.08569	3.7
145.10132	5.8
147.08041	1.3
147.11687	11.8
149.13280	1.8
151.11183	0.7
159.11751	2.1
161.09628	1.5
161.13266	4.4
163.14888	1.0
171.11678	7.3
173.13246	1.6
189.12733	2.5
194.00757	0.6
207.13803	6.9
215.72705	0.7
242.27655	0.6
243.21133	1.1
251.02571	0.6
261.22156	3.6
267.16077	0.9
279.15988	1.5
281.17490	23.0
283.15509	0.9
313.27368	2.8
314.27722	1.3
317.24771	1.3
335.25815	31.6
467.35495	0.7
505.38553	0.8
521.38666	0.8
523.39178	1.8
541.38934	100.0
542.39307	1.7
559.39850	2.6
702.63525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.6
67.05511	10.6
69.03423	2.0
69.07070	5.5
71.01363	0.6
71.04999	1.2
71.08640	17.7
71.52321	0.7
73.02924	0.8
75.73746	0.3
79.05508	7.4
81.03425	54.0
81.07063	16.3
82.63494	0.4
83.04979	2.9
83.08625	17.8
85.02918	3.8
85.06554	1.1
85.10191	10.3
87.35201	0.4
89.06052	1.1
91.03959	3.7
91.05489	9.0
93.07052	4.6
95.04980	15.2
95.08614	15.1
97.02913	4.3
97.06528	1.5
97.10179	4.8
99.04401	0.4
99.08125	0.4
99.11774	0.6
103.07579	1.3
105.06330	0.5
105.07037	7.2
107.04971	3.9
107.08617	2.8
109.02901	0.4
109.06534	2.1
109.10172	6.7
111.04442	0.8
111.08092	3.8
111.11716	0.7
115.05479	0.9
117.07060	1.3
119.08588	6.6
121.06535	1.7
121.10149	3.5
123.04442	1.9
123.08096	0.9
123.11707	3.0
125.09641	0.7
125.13271	0.4
127.03938	1.1
128.06264	0.6
128.47621	0.4
129.07024	5.0
131.08592	4.2
133.06512	1.4
133.10167	2.8
135.11696	0.7
137.09624	1.3
137.13298	1.3
138.96375	0.4
142.07797	1.0
145.04996	1.6
145.10172	1.2
147.04449	0.6
147.08102	2.1
147.11687	3.6
149.09648	2.9
151.14862	0.6
157.10123	5.8
163.06020	4.0
163.11209	1.3
165.12756	0.7
175.11206	6.9
189.05396	0.4
189.12872	0.6
193.12270	21.1
205.12325	0.5
207.13756	0.5
208.49348	0.4
211.13293	1.8
221.22583	0.5
231.13934	0.4
235.13322	1.7
239.23738	1.6
249.14908	1.4
257.24823	2.3
259.13379	1.6
267.15939	100.0
268.16205	0.8
273.14798	1.1
283.15643	0.6
284.15671	0.6
285.16721	0.6
301.14407	1.4
309.16946	2.6
309.57452	0.4
313.27386	100.0
314.27600	2.0
319.15475	1.0
333.17014	0.6
337.16995	0.5
434.44516	0.5
505.38934	85.4
506.39291	1.9
522.38959	0.7
523.39789	3.6
541.40906	0.4
547.40021	6.5
565.41284	0.5
578.59418	0.4
589.41199	1.1
601.41150	3.2
613.40753	1.7
631.42139	2.3
649.42938	1.1
663.81085	0.5
891.25641	0.5
926.94702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	1.5
67.05511	30.6
69.03431	1.7
69.07072	8.0
71.05005	2.2
71.08637	0.5
71.52425	0.5
73.02926	2.0
77.03920	0.6
79.05499	26.5
81.03033	0.3
81.03432	2.6
81.07064	32.6
83.01352	0.5
83.04989	2.9
83.08173	0.5
83.08625	7.6
85.02911	4.5
85.06507	0.7
85.10189	0.4
91.03962	2.2
91.04904	0.4
91.05485	12.3
93.07051	36.8
95.04977	4.6
95.08614	35.7
97.02899	4.0
97.06543	3.1
97.10174	1.6
99.04472	2.7
99.08080	0.4
99.33870	0.3
105.04495	0.7
105.07040	9.8
106.51952	0.3
107.04963	5.4
107.08604	24.6
109.06519	1.9
109.10165	8.4
111.04420	0.7
111.08112	1.4
111.11674	0.4
113.05995	0.4
117.06237	0.5
117.07023	6.8
119.06084	0.3
119.08588	10.6
121.06512	3.5
121.10155	16.4
123.08060	1.2
123.11691	2.5
125.06018	2.0
125.09590	0.5
127.03925	0.8
129.07013	0.6
130.07751	1.0
131.08574	4.4
133.10144	5.3
135.08163	1.7
135.11700	31.2
137.09569	0.8
137.13251	0.8
139.07516	1.0
139.11174	0.5
143.08557	0.9
145.04964	0.7
145.06468	0.6
145.10139	20.2
147.11703	2.5
149.09569	0.3
149.13272	3.1
153.12724	0.7
159.11699	2.1
161.13280	1.8
163.05981	0.8
163.11195	35.3
163.14832	1.9
171.11696	0.4
173.09590	0.5
173.13251	2.1
175.14787	1.0
181.12260	6.5
185.13264	0.3
187.14828	0.9
189.11319	0.3
193.12288	0.5
201.16393	0.5
209.11632	1.4
227.12799	40.1
228.13202	0.4
243.21136	2.2
261.22156	8.1
267.15979	0.7
268.16226	0.4
269.16415	0.4
283.15421	58.2
284.15820	0.7
313.27399	0.8
314.27679	0.7
315.27960	0.4
317.24930	2.2
335.25821	96.0
336.26202	1.4
351.64127	0.3
364.97147	0.4
451.32101	0.5
469.32846	0.5
505.38663	0.3
506.39304	0.8
507.39798	0.6
525.35779	0.8
543.36859	100.0
544.36829	2.0
561.37683	1.1
902.47858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	2.0
67.05510	44.4
68.89500	0.5
69.03419	3.9
69.07073	11.7
69.79421	3.0
69.85935	0.5
71.01317	0.8
71.05001	4.6
71.08606	1.3
73.02915	4.8
77.03902	0.8
79.05497	42.2
81.03419	13.5
81.07059	54.1
82.03729	0.7
83.01347	6.5
83.04984	10.7
83.08625	13.4
85.02914	20.0
85.06528	1.9
85.10185	1.1
87.04442	0.5
91.03967	10.5
91.05485	23.6
93.07047	48.8
95.04973	8.6
95.08611	37.1
95.14484	0.6
97.02305	0.7
97.02898	10.2
97.06018	0.5
97.06528	5.1
97.10174	5.2
99.04446	3.6
99.08083	0.8
101.02291	0.6
101.57220	0.7
105.04486	2.4
105.07037	18.3
107.04966	7.6
107.08598	29.5
109.02851	1.1
109.06520	6.9
109.10162	15.6
110.73910	0.5
111.04420	2.1
111.08053	2.3
115.03960	0.7
115.05415	1.0
117.06236	0.8
117.07022	11.7
119.06055	0.5
119.08586	17.1
121.06475	2.3
121.10146	23.0
123.04422	0.8
123.08072	7.1
123.11713	5.6
125.06004	1.0
125.09662	3.7
127.03913	3.1
128.27380	0.5
129.06984	2.3
130.07761	1.3
131.04854	0.6
131.08574	13.4
133.06480	0.6
133.10147	9.1
135.08022	1.8
135.10713	1.1
135.11696	19.6
137.09624	2.0
137.13255	1.7
143.08540	1.7
145.04961	4.6
145.05949	0.6
145.06575	0.7
145.10129	18.4
147.08009	2.3
147.11688	7.5
149.09578	1.6
149.13269	5.8
151.11130	1.1
153.08951	0.6
153.12682	2.1
155.08533	1.9
157.10143	1.2
159.11694	6.5
161.13266	4.5
163.06018	6.4
163.11189	21.4
163.14825	3.6
171.10156	0.6
171.11734	0.8
173.09659	3.0
173.11906	0.9
173.13251	5.6
175.11235	0.9
175.14793	2.3
177.16376	1.8
181.12242	3.5
185.13264	1.1
187.14854	3.4
189.11209	2.3
189.12733	0.6
191.10649	2.3
193.12268	2.7
194.12633	0.9
199.14775	0.7
201.16393	1.0
209.11728	6.2
211.13335	1.9
215.17816	0.6
227.12798	9.7
231.20917	0.7
243.21103	6.4
259.20660	2.1
261.22171	18.6
267.15967	5.9
268.16324	3.1
269.16403	1.2
277.21619	0.7
283.15411	100.0
284.15680	0.8
285.16925	1.0
299.23730	4.7
313.27353	3.7
314.27722	3.1
315.27838	1.5
317.24835	5.4
333.24393	2.7
335.25821	88.8
336.25845	0.5
415.29947	0.9
423.32672	0.8
433.30872	2.2
451.31989	4.3
469.33215	3.3
476.36209	0.6
487.34265	1.4
489.33224	0.7
505.38840	1.7
506.39417	2.7
507.39529	2.4
515.37408	1.3
517.35150	0.8
525.35657	9.6
525.42834	0.6
543.36835	98.1
544.37122	1.6
561.37866	8.5
600.55103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	1.5
67.05508	37.0
69.03420	3.3
69.07071	8.5
70.91383	1.2
71.01344	1.2
71.05005	4.2
71.08620	1.9
72.49115	0.5
73.02927	5.3
79.05496	32.8
81.03423	14.1
81.07061	44.0
82.03732	0.6
83.01341	7.0
83.04989	9.5
83.08620	13.5
84.08952	0.6
85.02908	19.2
85.06526	2.0
85.10184	1.2
90.81363	0.5
91.03960	11.0
91.04908	0.7
91.05488	20.3
93.07049	43.2
93.62896	0.6
95.04977	6.6
95.08613	29.7
96.04505	1.1
97.02897	9.6
97.06549	4.8
97.10184	4.3
99.04477	2.7
99.08095	1.2
101.02370	0.7
102.50240	0.5
103.05442	1.1
105.04512	0.9
105.07040	15.7
107.04960	6.8
107.08600	23.8
109.06512	5.6
109.10161	11.9
111.04486	2.9
111.08055	2.7
111.11696	1.0
115.03931	0.6
115.05453	0.9
117.07026	9.4
119.08585	14.6
121.06540	2.8
121.10152	16.7
123.04446	0.6
123.08085	7.3
123.11697	3.6
125.06022	1.3
125.09644	3.6
127.03934	4.3
129.06996	2.4
130.07747	1.4
131.08583	10.9
133.06488	0.8
133.10123	7.1
135.08057	2.5
135.11700	16.6
135.12723	0.9
137.09628	1.5
137.13252	1.9
143.08539	1.7
144.06604	0.7
145.04973	4.6
145.06468	1.2
145.10132	18.6
147.08057	2.0
147.11696	5.5
149.09622	0.9
149.13249	4.7
151.11166	0.6
153.12730	3.0
155.08566	1.1
157.10127	1.9
159.11700	4.7
159.34390	0.6
161.13261	3.6
163.06004	6.4
163.11195	20.6
163.14856	2.9
165.12825	0.6
171.11653	1.2
173.09666	2.7
173.13277	4.3
175.11238	0.6
175.14821	1.4
177.16446	1.3
179.14238	0.6
181.12260	2.1
183.11641	1.1
185.13260	0.8
187.14864	1.9
189.11200	2.8
189.12708	0.6
189.16293	0.6
191.10628	3.1
193.12273	2.2
194.12605	1.0
199.14874	1.1
201.16354	0.7
203.79012	0.5
209.11693	6.2
211.13332	1.7
227.12813	10.6
243.21120	5.1
252.41127	0.7
259.20584	1.4
261.22171	13.0
267.15933	6.9
268.16260	2.3
269.16400	0.6
277.21777	1.0
283.15417	100.0
284.15735	1.0
285.16916	1.2
291.82080	0.6
299.23688	5.1
313.27225	3.3
314.27673	2.8
315.28030	1.1
317.24695	4.7
333.24240	2.1
335.25812	66.0
336.26157	1.0
405.31073	0.6
415.30008	1.4
423.32364	0.8
433.31174	3.0
451.32181	4.1
469.33261	4.0
487.34174	1.7
505.38739	1.0
506.39221	2.1
507.39523	2.4
515.37238	1.3
525.35773	7.6
543.36859	65.9
544.37097	1.7
561.37921	7.1
753.71130	0.7
826.61011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02360	0.2
65.03940	1.7
65.98729	0.2
67.05508	35.1
69.03431	3.7
69.07069	9.0
69.79466	1.0
70.69180	0.3
71.01335	0.2
71.05003	3.3
73.02919	2.4
77.03930	0.5
79.05497	29.4
81.03421	33.5
81.07059	37.3
83.04986	7.1
83.08623	14.7
85.02908	20.5
85.06549	1.6
87.04465	0.4
91.03960	5.5
91.04585	0.3
91.05485	25.3
93.07047	30.6
95.04973	14.9
95.08611	26.0
96.04511	0.3
97.02288	0.4
97.02899	6.4
97.06537	3.3
97.10173	3.5
98.20760	0.4
99.04464	0.4
99.08093	1.2
101.02389	0.3
105.04530	0.8
105.07034	17.9
107.04963	3.9
107.08599	15.9
109.02898	0.5
109.06515	2.8
109.10162	10.3
111.04468	1.6
111.08086	5.4
111.11668	0.2
113.06043	1.2
113.09646	0.3
115.03949	0.5
115.05465	0.8
116.06282	0.4
117.07018	4.5
119.04933	0.3
119.08587	15.4
121.06526	1.1
121.10148	15.9
123.08076	2.0
123.11715	4.2
125.09673	1.2
127.03922	2.2
127.07602	0.4
128.06218	0.4
129.05573	0.4
129.07016	6.3
131.08575	11.5
133.06479	1.9
133.10144	10.1
135.08131	0.3
135.11700	6.7
137.09631	1.5
137.13252	0.8
139.11208	0.3
142.07805	1.4
143.08571	0.7
144.06584	0.4
145.04968	1.9
145.10124	5.5
147.08083	1.7
147.11693	11.3
149.09605	4.2
149.13281	3.3
151.11209	0.4
151.14777	0.3
155.08501	0.4
157.10130	9.2
159.11682	2.8
161.13232	2.6
163.06033	2.5
163.11229	0.8
163.14847	1.5
165.12769	2.4
169.10175	0.2
171.11681	0.4
173.13264	2.5
175.11197	8.2
175.14857	0.9
177.12747	0.4
177.16362	0.5
183.11710	0.4
185.13239	0.6
187.14822	1.6
189.11276	0.3
193.12250	23.4
199.14790	0.5
200.25969	0.3
201.16400	0.3
209.13181	0.3
211.13293	31.7
212.13667	0.4
215.18007	0.4
227.12817	1.0
229.14305	0.3
243.21101	2.3
249.14836	0.6
261.22153	7.8
267.15930	10.2
279.23428	0.3
283.15485	0.4
285.16968	41.9
286.17264	0.4
301.22098	0.3
301.25375	0.6
303.23096	0.3
317.24850	1.7
335.25812	63.6
336.26135	0.9
401.11981	0.3
435.32837	1.4
453.33795	1.8
471.34692	1.0
509.36057	0.7
527.29016	0.4
527.37323	12.8
545.38397	100.0
546.38684	1.9
563.39099	0.7
689.42383	0.6
883.86487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	1.5
67.05508	32.8
69.03436	4.1
69.07074	8.8
70.01366	1.6
71.01352	0.4
71.04998	3.4
73.02919	2.5
77.03929	0.5
79.05499	27.4
81.03423	39.3
81.07062	37.5
83.04987	9.5
83.08620	16.7
85.02908	25.1
85.06519	1.5
87.04484	0.5
91.03965	6.2
91.05484	27.8
93.07048	27.0
95.04975	15.5
95.08611	24.1
96.04474	0.4
96.63072	0.3
97.02308	0.5
97.02896	6.5
97.06541	3.6
97.10168	3.3
99.04435	0.9
99.08070	0.8
105.04529	0.7
105.07037	19.7
107.04968	5.1
107.08601	15.6
109.02840	0.4
109.06526	3.0
109.09483	0.5
109.10166	9.1
111.04453	1.8
111.07390	0.5
111.08089	7.6
113.06003	1.3
115.03910	0.5
115.05446	1.0
117.07011	3.5
119.04887	0.6
119.08590	16.4
121.06484	1.2
121.10150	14.6
123.08062	2.3
123.11716	3.2
125.06004	0.5
125.09607	1.6
127.03931	2.4
127.07537	0.4
128.06178	0.6
129.05486	0.4
129.07007	7.8
131.08572	12.4
133.06476	1.7
133.10149	10.5
135.08022	0.5
135.11693	6.6
135.83084	0.3
137.09596	1.5
137.13309	0.7
139.11163	0.4
141.06929	0.4
142.07802	1.8
143.08559	0.7
144.06519	0.4
145.04971	3.2
145.10107	4.1
147.08043	2.3
147.11691	11.6
149.09621	4.7
149.13272	2.9
151.11217	0.6
155.08479	0.3
157.10132	9.9
159.11694	2.9
161.13304	2.3
163.06010	3.6
163.11168	0.9
163.14841	1.9
165.12781	1.9
171.11682	0.7
173.13289	2.6
175.11194	9.8
175.14781	1.2
177.16336	0.5
180.08670	0.5
185.13234	0.4
187.14813	1.5
189.11230	0.5
193.12253	31.5
197.13333	0.6
201.16533	0.5
202.13390	0.3
206.07784	0.4
211.13298	52.7
227.12788	1.6
229.14378	0.5
233.22694	0.5
243.21152	2.6
261.22144	8.4
267.12988	0.5
267.15912	11.2
269.17496	0.5
273.22110	0.4
279.23312	0.6
285.16977	62.5
286.17178	0.5
299.23788	0.5
301.25156	1.0
317.24802	2.5
335.25812	56.9
336.25925	0.7
359.26138	0.4
417.31464	0.8
435.32538	2.3
451.31018	0.5
453.33673	1.6
471.34775	1.4
489.36197	0.5
509.36237	0.8
527.37347	14.8
545.38403	100.0
546.38605	1.9
563.39624	1.2
569.38159	0.5
689.42865	0.6
703.74481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	2.4
69.03441	3.6
69.07094	0.9
69.54865	1.7
71.01372	0.6
71.04991	0.5
73.02932	3.6
79.05508	2.3
81.03434	2.5
81.07065	2.9
83.01357	0.5
83.05009	0.8
83.08641	0.7
85.02920	6.6
86.09750	0.3
87.04491	0.3
91.03959	3.9
91.05501	1.1
93.07063	3.1
95.04975	0.5
95.08633	2.3
97.02907	6.5
97.06560	0.5
98.20848	0.6
99.04494	1.3
101.02399	2.3
103.03947	0.4
105.07066	0.8
107.05002	0.3
107.08643	1.3
109.02905	0.6
109.06530	0.5
109.10200	0.7
115.03988	0.7
117.07034	0.6
119.08631	0.9
121.10194	1.1
123.08155	0.4
123.11770	0.3
127.03971	1.9
131.08643	0.6
135.11749	1.0
145.04967	0.4
145.10161	1.0
147.11728	0.4
149.13228	0.4
163.11275	1.0
185.04294	0.9
203.05379	0.7
208.42177	0.3
209.11882	0.6
243.08508	2.4
245.36740	0.3
249.11108	0.6
283.15649	0.9
335.26077	0.9
347.09375	2.0
365.10709	0.9
369.00671	0.3
405.13672	6.0
405.18646	0.5
467.18954	7.8
475.20139	0.3
519.29529	3.7
547.40131	0.4
557.66821	0.4
629.24103	6.9
652.67737	0.3
681.34619	3.6
745.29071	0.5
745.41003	1.6
907.46686	100.0
908.46771	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	907.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.4
67.05509	3.4
69.03436	3.5
69.07065	1.1
71.01350	0.5
71.05004	0.4
71.51999	0.3
71.52430	0.3
71.63767	0.3
73.02925	4.4
79.05497	2.7
81.03432	2.6
81.07062	3.3
83.05019	0.4
83.08632	1.1
85.02908	7.9
87.04496	0.4
91.03963	4.4
91.05502	1.7
93.07048	2.7
93.93829	0.2
95.04983	0.6
95.08611	2.7
97.02894	5.9
97.06551	0.3
99.04471	1.0
101.02379	2.0
103.03939	0.3
105.07034	1.0
107.08595	1.5
109.02899	1.0
109.10184	0.9
115.03975	0.6
117.07032	0.5
119.08582	1.3
121.10152	1.5
123.08041	0.3
127.03937	2.2
130.54428	0.2
131.08656	0.5
133.10176	0.4
135.11729	1.0
145.05003	0.5
145.10146	0.9
146.05458	0.3
147.11702	0.3
149.13292	0.3
159.11755	0.3
161.13364	0.4
161.97820	0.2
163.11240	0.7
185.04257	0.7
203.05406	0.6
209.64064	0.2
211.13382	0.4
228.99652	0.3
243.08437	1.9
285.17050	0.7
335.25955	1.0
337.27133	0.6
338.27850	0.4
347.09442	1.9
365.10773	1.0
405.13705	4.8
440.81134	0.2
467.18848	3.4
519.29333	5.3
530.39368	0.4
547.39661	0.6
548.40247	1.7
629.23993	3.1
681.34637	6.0
745.41370	1.2
907.46643	100.0
908.46570	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	908.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	3.4
73.64788	2.9
74.04805	3.4
81.03432	4.7
81.07038	4.2
89.90902	3.3
95.65284	2.9
96.26505	3.2
97.02865	4.6
97.80681	2.9
103.05489	3.2
107.04954	3.7
121.06500	4.7
122.03652	6.1
137.05988	100.0
138.34795	3.1
149.05942	3.9
151.07559	11.7
161.05969	20.3
163.03972	5.9
163.07565	20.8
165.05598	3.2
165.06944	6.8
167.03775	3.5
174.06728	5.5
175.07607	20.1
176.47604	3.2
177.05470	6.0
177.09174	7.2
187.07536	4.8
188.04704	6.9
191.07051	12.0
193.06502	8.8
203.07060	29.5
205.08592	7.4
209.08098	6.1
213.05508	3.5
217.08647	6.8
221.06068	15.3
222.06841	4.0
225.09093	16.7
234.06677	4.2
237.09067	3.8
237.11417	3.4
238.06532	3.5
249.09192	7.0
251.07169	5.7
252.07938	6.2
253.08615	21.5
254.09230	5.3
255.35513	4.1
257.08096	5.7
265.08804	5.8
267.10211	14.3
271.89890	2.9
277.08578	11.2
282.37784	3.3
283.09619	4.6
285.11282	44.8
293.08301	3.4
294.08850	3.4
295.09686	9.6
297.11197	20.4
307.09393	5.5
308.10400	3.3
309.11234	26.1
321.11288	5.0
325.10944	8.0
326.11108	4.5
327.12323	76.4
331.09750	3.3
337.10709	7.6
338.11099	4.9
339.11993	7.8
351.12338	10.4
357.13196	3.3
375.12115	4.0
393.13342	5.0
405.13333	4.5
417.13443	4.2
425.16589	4.4
435.14233	12.8
453.15585	28.3
471.16519	28.3
489.17743	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	909.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	2.3
69.03437	3.0
69.07063	0.4
71.01349	0.4
71.04992	0.4
71.52962	0.2
73.02924	3.5
77.61487	0.2
79.05494	1.8
81.03416	2.2
81.07056	2.6
81.65926	0.2
83.04951	0.2
83.08643	0.6
85.02907	5.5
87.04469	0.5
91.03951	3.2
91.05492	2.1
93.07047	1.8
95.04944	1.1
95.08602	1.5
97.02896	5.5
97.03531	0.3
99.04463	1.0
103.03946	0.3
105.07010	1.1
107.05049	0.2
107.08614	0.8
109.02898	0.9
109.10186	0.6
111.08100	0.3
113.98455	0.2
115.03925	0.3
118.63291	0.2
119.08608	0.8
121.10152	1.2
121.74033	0.2
123.11711	0.2
127.03912	1.4
128.49449	0.2
129.05498	0.3
129.07054	0.5
131.08557	0.5
133.10146	0.8
135.11720	0.4
145.04987	0.4
145.10138	0.3
147.11717	0.5
149.09669	0.3
157.10191	0.4
167.27611	0.2
175.11229	0.8
185.04231	1.1
193.12241	1.0
203.05354	0.7
205.52551	0.2
211.13336	0.5
233.82175	0.2
243.08374	1.8
251.12589	0.6
285.17126	0.3
305.08649	0.3
307.15149	0.4
314.19647	0.3
335.26010	0.4
336.79471	0.3
347.09344	2.2
351.01575	0.2
363.09079	0.5
365.10635	0.7
405.13681	4.9
469.20502	6.8
519.29340	4.1
548.39819	0.3
589.33893	0.2
631.25720	5.9
631.35938	0.4
681.34454	3.2
723.98401	0.2
747.42853	1.5
909.48181	100.0
910.48486	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	909.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
66.69088	0.2
67.05507	2.8
67.23813	0.2
69.03432	3.5
69.07076	0.5
69.22495	1.5
71.01367	0.4
71.05000	0.4
73.02925	3.8
79.05485	2.1
81.03423	2.5
81.07060	2.7
83.04974	0.4
83.08630	0.6
85.02911	6.2
87.04451	0.2
91.03960	4.0
91.05471	1.8
92.05791	0.2
93.07055	1.9
94.07391	0.2
95.04998	0.6
95.08051	0.3
95.08604	2.1
97.02898	5.6
99.04466	0.8
103.03967	0.3
105.07026	1.4
107.08604	1.1
107.30353	0.2
109.02878	1.0
109.10179	1.0
111.08125	0.2
115.03973	0.4
117.07077	0.3
119.08614	0.9
121.10170	1.0
123.11717	0.3
127.03932	1.8
129.07013	0.2
131.08586	0.7
133.10184	0.6
135.11751	0.6
145.04971	0.5
145.10185	0.5
147.11752	0.4
157.10184	0.3
161.55026	0.2
163.06110	0.2
163.11276	0.2
175.11249	0.3
185.04306	0.7
193.12334	0.6
203.05391	0.5
211.13391	0.3
221.63867	0.2
231.01427	0.2
243.08400	2.0
251.12695	0.7
261.22217	0.3
279.32721	0.2
307.15381	0.3
335.25906	0.7
347.09515	2.4
363.09140	0.3
365.10681	0.8
405.13660	5.2
469.20462	4.0
493.78360	0.2
496.25317	0.2
504.69702	0.2
519.29303	5.6
549.39673	0.2
583.76221	0.2
631.25696	3.2
681.34552	6.9
747.42627	1.7
909.48187	100.0
910.48175	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	912.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	0.9
67.05186	1.5
67.05511	21.8
68.26289	0.9
69.03424	2.3
69.07072	9.6
69.20584	0.9
69.20887	9.7
71.01368	2.5
71.04987	3.7
71.08296	1.5
71.08641	19.3
73.02906	2.8
74.09697	1.3
77.03896	0.9
79.05496	16.0
81.03417	19.3
81.06584	1.7
81.07058	22.6
83.01353	1.6
83.04993	7.9
83.08620	11.6
85.02904	13.3
85.06544	2.7
85.10187	11.7
89.06001	1.1
90.09197	2.9
91.03960	5.8
91.05482	12.2
93.07050	19.0
95.04970	6.4
95.08613	21.4
97.02884	9.0
97.06519	7.0
97.10183	5.8
99.04491	1.7
99.11728	1.1
103.07573	1.3
105.01313	0.9
105.07027	6.3
107.04962	14.5
107.08606	10.3
109.02897	1.5
109.06525	7.5
109.10161	11.1
111.04443	20.5
111.08076	2.3
111.11729	1.2
113.05992	2.0
113.51853	0.9
117.07059	6.1
119.08572	8.4
121.06526	6.4
121.10136	8.7
123.08072	6.2
123.11735	2.9
125.05997	5.2
125.09624	2.0
127.03895	3.1
129.07002	2.7
131.04936	1.6
131.08580	6.9
133.10150	1.0
135.08047	2.6
135.11676	11.0
137.09589	2.1
139.07518	1.2
140.00633	1.0
145.04961	2.4
145.06425	1.3
145.10139	16.1
147.08041	3.9
149.09558	2.6
153.12759	9.5
155.08568	2.2
161.09674	1.3
163.06059	1.4
163.11194	25.7
173.09612	5.2
181.12291	5.3
187.55388	1.0
191.10696	10.0
209.11732	8.8
223.13298	17.6
226.33405	0.9
227.12746	5.2
239.23604	2.7
241.14378	26.0
257.24863	2.1
265.14322	13.3
283.15402	27.7
297.16791	1.8
313.27386	81.1
315.18042	49.7
330.97394	1.1
459.22186	1.5
503.37292	11.4
521.38416	100.0
522.38245	1.1
539.39386	2.4
553.41010	73.3
554.40826	1.7
807.47772	1.2
907.50897	1.1
912.48688	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	914.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.7
67.05507	10.0
69.03446	1.9
69.07069	6.0
70.80034	0.7
71.04984	1.5
71.08634	18.9
73.02908	1.4
75.04495	0.5
77.02521	0.3
79.05492	6.6
79.05923	0.6
80.35811	0.3
81.03419	51.3
81.07054	13.8
83.04981	3.0
83.08621	17.1
83.09125	0.6
85.02908	5.3
85.06539	0.7
85.10183	10.5
89.06040	1.3
91.03947	3.5
91.05482	8.9
91.06028	0.6
93.07033	4.3
95.04968	16.1
95.08607	15.0
97.02901	3.4
97.06537	1.4
97.07142	0.3
97.10170	5.6
99.08082	0.7
99.11759	0.8
103.07574	1.0
105.07030	6.8
105.07686	0.5
107.04958	4.6
107.08591	2.3
109.02900	0.5
109.06539	2.1
109.10158	7.8
111.04443	1.4
111.08076	5.1
111.11742	0.9
115.05476	0.8
117.07017	0.7
119.04940	0.7
119.08589	7.3
121.06535	1.9
121.10130	3.1
123.04436	1.3
123.08105	0.7
123.11696	3.2
125.09624	0.9
125.13238	0.5
127.03924	1.4
129.07013	5.5
131.08582	5.1
133.06525	1.7
133.10152	3.0
135.11688	0.9
137.05943	0.5
137.09618	0.8
137.13286	1.3
142.07784	1.3
143.08597	0.4
145.04964	1.5
145.10103	0.8
147.04430	0.6
147.08049	1.8
147.11690	5.2
149.09613	3.1
151.14906	0.5
157.10141	6.7
161.05975	0.5
163.06004	3.0
163.11197	1.1
165.12822	1.3
165.16420	0.3
171.11690	0.4
175.11188	6.6
193.12244	22.3
194.12592	0.4
205.12219	0.5
211.13345	1.4
235.13374	1.5
239.23706	2.2
249.14810	1.7
257.24643	1.8
259.13354	1.5
267.15915	100.0
268.16211	0.6
273.14883	1.3
278.10117	0.4
298.27457	0.5
301.14307	1.8
309.16885	2.7
313.27362	99.4
314.27744	1.4
319.15424	0.7
333.17117	1.0
337.16476	0.4
375.17947	0.5
393.19257	0.5
505.38892	77.5
506.39532	2.0
523.40027	3.2
547.39948	6.4
553.55951	0.3
565.41162	1.3
589.41003	1.6
601.41010	3.4
613.40869	1.6
631.42108	2.3
649.42993	1.5
773.47089	0.4
949.65320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91395	0.4
67.05508	10.1
68.20928	0.4
69.03405	1.8
69.07075	6.6
69.51177	2.7
71.04961	1.4
71.08636	17.9
73.02905	1.1
79.05091	0.4
79.05502	7.2
81.03422	51.0
81.07065	15.3
83.04956	2.2
83.08623	16.7
85.02913	5.1
85.06518	0.8
85.10188	11.1
89.05998	1.1
91.03973	2.5
91.04996	0.7
91.05489	8.9
93.07056	5.1
95.04382	0.9
95.04973	15.6
95.08612	14.3
97.02897	3.0
97.06531	1.1
97.10185	4.3
99.08099	0.5
99.11738	0.6
103.07542	1.5
105.07036	7.3
107.04980	3.4
107.08620	2.5
109.02833	0.5
109.06489	2.1
109.10166	6.6
111.04425	1.3
111.08078	3.7
111.11721	0.6
113.05990	0.7
114.09000	0.4
117.07030	0.7
117.09084	0.6
119.04910	1.0
119.08580	7.4
121.06466	1.6
121.10135	3.1
123.04386	1.7
123.08067	0.7
123.11735	2.8
125.09626	0.7
127.03877	1.5
129.07002	6.6
131.08571	4.8
133.06477	1.9
133.10109	3.3
135.11671	0.8
137.09630	1.1
137.13242	1.3
140.10640	0.5
142.07730	1.4
145.04916	1.5
145.10091	1.2
147.04393	1.0
147.08034	1.9
147.11688	5.2
149.09621	3.1
157.10135	6.4
160.43280	0.5
163.06027	3.1
163.11162	1.4
165.12709	1.0
175.11189	7.4
183.60399	0.5
193.12248	24.1
203.14336	0.4
211.13235	1.5
226.26572	0.5
235.13316	1.5
239.23743	1.5
249.14844	1.6
257.24753	2.1
259.13324	1.4
267.15930	94.9
268.16263	0.7
269.57382	0.6
272.95203	0.5
273.14868	0.9
301.14297	1.8
309.17029	2.7
313.27371	100.0
333.16852	0.7
360.41269	0.5
393.19028	0.6
505.38910	84.0
506.39264	1.7
523.39740	3.9
547.39929	5.0
555.40674	0.6
565.40509	1.1
571.39435	0.6
589.41156	1.5
601.41217	3.2
613.41077	1.4
631.42444	2.6
649.42810	1.2
914.52002	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.9
67.05509	45.1
69.03432	3.7
69.07076	11.5
70.17479	0.9
71.01373	0.9
71.04994	2.6
71.08639	23.2
71.52611	0.9
73.02921	2.3
79.05498	13.5
81.03417	4.8
81.07062	24.3
83.04980	4.8
83.08622	16.3
83.36059	0.8
85.02385	0.9
85.02909	17.7
85.06561	2.1
85.10188	14.2
87.04473	5.8
89.06038	1.6
91.03958	5.0
91.05478	6.0
93.07053	5.4
95.04993	1.9
95.08614	21.9
97.02905	5.6
97.06553	1.7
97.10181	25.5
99.11758	1.2
101.02361	0.9
103.03967	2.2
103.07540	1.3
105.07063	1.9
107.04966	2.4
107.08596	8.3
109.10163	37.2
111.04436	1.2
111.08116	1.4
119.08617	3.5
121.10152	1.8
123.08041	0.9
123.11725	3.3
125.09645	19.6
125.10569	1.0
127.03928	3.0
135.11711	4.1
137.09613	1.5
137.13261	1.1
143.10670	4.7
145.10139	1.8
151.14867	1.0
153.12726	1.6
155.10725	2.9
163.06059	2.1
163.11223	4.5
173.11740	7.7
180.02159	0.7
181.12196	0.8
191.10730	1.7
199.13293	13.9
209.11713	3.5
209.92509	0.8
217.14314	1.4
227.12801	15.3
229.14371	50.1
239.23723	4.4
245.13817	0.8
257.24765	1.4
265.14316	1.5
267.15918	2.1
283.15408	6.2
301.12915	1.6
301.16473	44.5
313.27380	100.0
314.27496	1.5
319.17612	2.9
331.28397	1.0
341.26895	1.4
437.36133	6.6
455.37341	21.8
467.37357	30.8
503.70850	0.8
505.38583	2.0
521.38373	2.1
539.39478	24.7
539.47675	1.5
546.31573	0.9
557.40424	10.4
701.44684	1.4
755.51569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.1
67.05508	48.3
69.03427	3.2
69.07073	11.2
71.01343	0.6
71.04981	2.3
71.08636	20.8
71.52148	0.8
73.02928	2.9
73.06557	0.8
79.05498	14.2
81.03428	4.6
81.07062	25.2
83.04992	3.2
83.08623	15.2
85.02908	17.5
85.06534	1.8
85.10187	11.4
87.04479	3.6
89.06041	0.8
91.03971	5.2
91.05489	7.5
93.07042	8.4
95.04960	2.7
95.08609	22.2
97.02908	5.5
97.06539	1.9
97.10175	17.1
99.04446	1.7
103.03947	1.5
105.07030	2.6
107.04951	1.9
107.08604	8.9
109.06541	1.2
109.10159	41.9
111.04446	1.7
111.08070	1.7
115.03929	0.7
116.61337	0.6
117.07014	1.4
119.08570	3.7
121.06515	0.8
121.10144	2.9
123.08062	1.1
123.11761	3.1
125.09636	14.5
127.03932	2.1
129.05486	0.7
131.08638	0.9
133.10155	0.7
135.11687	3.1
137.09608	0.7
137.13263	1.3
143.10663	2.7
145.04965	2.8
145.10123	2.4
149.09610	0.7
153.12804	1.6
155.10646	3.0
163.06026	2.4
163.11185	3.5
173.09637	0.9
173.11755	9.5
173.13205	1.2
181.12224	0.7
185.23256	0.6
190.81392	0.6
191.10666	1.8
193.12370	0.9
199.13303	9.1
209.11678	5.0
227.12799	6.4
229.14365	59.1
239.23708	3.0
257.13901	1.0
257.24799	1.8
261.22067	1.6
265.14117	0.7
267.15933	2.2
283.15308	4.8
297.17072	2.3
299.14847	1.0
300.15094	0.6
301.16479	30.2
313.27377	100.0
314.27689	1.9
335.25809	6.0
341.26898	2.4
437.36346	7.0
455.37366	15.8
463.21524	0.9
467.37332	35.8
468.37433	0.9
489.35663	2.5
505.38846	1.5
521.38318	4.0
539.39435	20.9
557.39856	4.1
701.44360	2.4
906.59357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.2
67.05508	44.1
68.63280	0.4
69.03429	2.8
69.07070	9.7
69.14285	4.3
71.01353	1.2
71.04986	1.8
71.08638	19.1
73.02919	3.1
75.04466	0.5
79.05499	10.4
81.03420	4.3
81.07063	22.3
81.15503	0.5
83.04982	3.7
83.08150	0.9
83.08620	13.7
85.02910	18.5
85.06532	1.6
85.10188	12.4
87.04477	5.0
89.06032	1.3
91.03957	5.8
91.05489	6.2
93.07051	6.2
95.04966	1.8
95.08611	21.5
97.02892	7.6
97.06522	1.6
97.10175	19.2
98.20789	1.0
99.04450	1.1
99.08074	0.5
103.03944	1.5
105.07034	2.3
107.04977	1.5
107.08605	8.5
109.02894	1.2
109.06553	0.8
109.10162	38.9
109.70560	0.4
111.04432	1.5
111.08083	1.9
111.11710	0.9
115.03869	0.4
117.07002	1.4
117.09112	0.4
119.08577	3.7
121.06520	0.5
121.10174	2.5
121.10947	0.4
123.08072	0.6
123.11693	3.4
125.09635	13.4
127.03938	2.2
131.08594	1.4
133.10123	1.3
135.11685	1.8
137.09608	1.8
137.13255	1.3
143.10693	3.1
144.06505	0.6
145.04955	2.0
145.10110	2.0
147.08090	0.9
147.11717	0.9
149.09622	0.5
153.12775	1.3
155.10670	3.3
163.06035	2.3
163.11171	3.5
173.09595	0.9
173.10110	0.7
173.11746	9.7
181.12256	0.9
191.10703	1.4
199.13289	9.9
209.11705	4.7
217.14317	0.8
219.20915	0.5
221.22749	0.5
227.12785	6.9
229.14363	50.6
239.23729	3.8
245.13661	0.5
257.13861	1.1
257.24728	1.9
265.14362	0.8
267.15939	2.6
283.15381	5.1
297.17004	1.0
299.14844	1.3
300.15192	1.0
301.16476	27.1
309.00412	0.5
313.27371	100.0
314.27789	1.9
319.17514	0.7
335.25827	1.5
341.26599	2.2
437.36359	6.0
455.30945	0.7
455.37350	14.1
463.21799	1.4
467.37366	30.9
468.37634	0.7
489.35184	0.5
503.36868	0.5
505.38852	2.0
521.38354	3.8
539.39423	17.0
557.39990	4.0
701.44604	1.5
768.90210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.2
67.05510	0.9
69.03430	3.1
69.07087	0.6
70.64176	0.5
71.01361	0.5
71.05005	0.7
71.08646	1.0
73.02919	2.8
75.04510	0.3
78.69054	0.2
79.05511	0.8
81.03424	2.8
81.07059	1.7
82.30508	0.2
83.08633	0.8
85.02908	4.5
85.06548	0.3
85.10212	0.8
87.04472	0.5
91.03961	2.5
91.05485	1.2
93.07060	0.6
95.04990	0.6
95.08617	1.2
97.02891	4.3
97.10168	0.2
99.04482	0.6
101.02374	1.6
102.42210	0.2
103.03912	0.4
105.07047	0.6
107.08632	0.5
109.02910	0.8
109.06512	0.3
109.10180	0.4
111.08095	0.3
115.03970	0.3
119.08608	0.5
121.10137	0.9
123.11823	0.2
127.03925	1.3
129.07030	0.5
131.08592	0.8
133.10170	0.6
145.05013	0.3
147.11713	0.4
149.09637	0.8
157.10152	0.5
175.11264	0.5
185.04297	0.6
193.12286	1.0
203.05388	0.4
206.66960	0.2
225.14867	0.2
235.13403	0.2
239.23822	0.2
243.08421	1.7
267.16028	0.8
283.15161	2.4
313.27502	0.6
329.89871	0.2
339.18118	0.6
347.09390	3.1
363.09033	0.3
365.10513	1.2
371.60843	0.3
405.13678	6.1
441.21240	0.3
469.20596	0.6
469.44724	0.2
497.30923	5.4
497.37827	0.4
501.23108	10.2
595.42291	0.4
597.56433	0.2
603.25592	0.2
659.36200	6.2
663.28363	10.3
752.09601	0.2
757.47150	3.1
919.52362	100.0
920.53107	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	920.522
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	2.9
67.05512	52.5
69.03439	3.6
69.07076	13.0
71.01347	1.7
71.04997	4.8
73.02917	4.7
79.05502	38.2
81.03425	7.6
81.07065	49.2
83.04984	11.3
83.08632	8.9
85.02914	17.1
85.06558	3.4
91.03959	7.4
91.05489	28.1
93.07052	41.1
95.04977	11.0
95.08615	33.1
97.02905	12.1
97.06544	6.1
97.10175	4.6
99.04446	1.5
99.08086	1.7
105.04571	1.1
105.07035	16.1
107.04958	7.4
107.08604	26.1
109.02887	1.2
109.06514	4.3
109.10163	20.0
111.04464	8.9
111.08091	3.0
117.07015	13.1
118.99654	1.1
119.08595	19.5
121.06508	3.8
121.10162	20.5
123.08092	4.0
123.11732	5.2
125.09627	3.3
127.03914	4.4
128.06239	1.3
129.07028	3.2
130.07803	1.2
131.05046	1.3
131.08578	14.9
133.06487	1.3
133.10143	14.6
135.08061	2.7
135.11707	19.4
137.09587	2.6
143.08603	3.6
145.04953	4.8
145.06493	1.9
145.10149	21.2
147.08057	1.9
147.11693	8.0
149.09631	4.3
149.13283	4.9
151.11212	2.9
153.12759	4.4
155.08566	4.3
156.09288	1.3
157.10185	4.0
159.08156	1.0
159.11719	8.6
161.13257	5.7
161.51973	1.0
163.03952	2.4
163.06041	4.9
163.11188	16.2
163.14845	2.1
169.10126	2.4
171.11760	2.1
173.09642	4.0
173.11934	1.1
173.13268	4.7
175.14914	1.7
181.12259	2.9
183.11723	1.7
185.13376	1.7
187.14917	1.8
189.11269	2.3
189.12726	1.4
191.10744	7.3
193.12277	1.7
209.11726	19.0
227.12833	8.8
227.16339	1.1
229.14381	2.5
243.21088	2.9
245.13704	1.3
253.14345	4.1
259.20615	3.6
261.22131	13.3
266.36426	1.1
267.15939	1.7
273.22165	3.0
275.20172	1.3
283.15421	48.9
285.17020	2.0
289.21887	1.5
299.15118	1.4
301.16455	23.0
301.21573	1.5
315.23099	2.2
317.24792	2.5
327.23303	1.6
333.24255	2.9
335.25821	69.0
336.26059	1.5
423.27277	1.2
423.32635	1.5
433.31284	5.4
441.33203	1.2
451.32111	12.1
469.27350	1.0
469.33176	7.4
487.34308	2.8
507.34906	2.6
515.37073	2.9
525.35785	21.8
543.36871	100.0
544.37366	2.6
561.37885	36.8
706.71240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84357	0.9
65.03945	3.6
67.05506	70.7
69.03422	3.7
69.07069	16.4
71.04997	4.6
71.53072	1.4
73.02911	4.3
79.05494	46.9
81.03423	8.5
81.07059	62.1
83.01330	1.1
83.04979	12.4
83.08617	11.1
85.02435	1.6
85.02907	18.3
85.06544	3.6
91.03970	8.8
91.05488	35.8
93.07043	58.7
95.04959	11.8
95.08611	43.1
97.02895	14.1
97.06532	8.2
97.10143	4.7
99.04449	3.6
99.08104	1.9
105.07034	23.5
107.04958	11.4
107.08591	34.7
108.08932	1.3
109.02894	3.5
109.06507	4.8
109.10150	24.3
111.04443	9.2
111.08079	4.6
111.11700	1.2
115.05442	2.5
117.07024	14.5
119.08578	19.8
121.06511	3.9
121.10143	25.1
123.04449	1.2
123.08073	3.4
123.11704	6.0
125.09636	3.3
127.03918	3.6
128.06285	1.6
129.07037	5.4
131.08569	15.6
133.06493	1.0
133.10138	19.1
135.08060	4.4
135.11696	23.4
137.09624	2.5
137.13268	1.6
139.07480	1.1
139.11157	1.8
143.08572	3.4
145.04942	4.3
145.06503	2.0
145.10126	21.4
147.08078	3.2
147.11713	7.6
149.09613	3.4
149.13232	7.2
151.11208	3.7
153.12741	3.7
155.08589	3.3
157.10173	3.0
159.11638	8.8
161.09560	2.3
161.13252	6.1
163.03885	1.4
163.06065	5.5
163.11180	17.0
163.14856	3.4
169.10161	1.2
171.11711	4.2
173.09633	6.3
173.11871	1.7
173.13191	5.3
175.11317	1.2
175.14835	3.7
177.16399	1.6
181.12256	2.5
183.11693	1.5
185.13206	2.6
187.14903	2.2
189.11137	1.4
191.10596	5.5
197.13217	1.6
199.11328	1.0
199.14812	1.8
201.16319	1.7
209.11687	19.5
209.13602	1.0
212.87764	0.9
213.12801	1.3
220.78050	1.0
223.14827	1.2
227.12805	7.3
229.14374	3.1
243.21100	4.7
253.14380	3.1
259.20618	3.1
261.22098	14.1
265.14322	1.9
273.22116	2.1
277.21588	1.7
283.15402	48.4
285.16888	1.6
297.21939	1.2
299.14957	3.7
300.15097	2.0
301.16437	14.8
301.21844	1.4
315.23209	2.4
317.24710	2.6
333.24069	1.6
335.25803	74.3
336.26163	4.0
405.30911	1.2
415.29507	1.2
423.32574	1.9
433.30829	5.4
451.32129	10.5
469.33282	7.3
487.34048	3.5
503.33820	1.2
507.34622	2.8
515.37067	3.3
525.35791	19.8
533.38544	1.7
543.36810	100.0
544.37256	1.6
559.35870	1.6
561.37842	29.3
593.36658	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	3.9
67.05508	65.2
67.10282	1.0
68.05853	0.9
69.03432	4.1
69.07071	13.0
71.04981	3.7
73.02922	2.4
79.05496	49.1
81.03420	83.5
81.07059	66.6
83.04977	7.5
83.08157	1.8
83.08623	25.4
85.02911	11.4
85.06548	2.4
91.03946	6.2
91.05484	38.1
93.07043	55.0
95.04968	28.2
95.08610	51.3
97.02901	5.8
97.06539	5.5
97.10178	9.3
99.08082	2.4
103.05434	1.1
105.04493	1.8
105.07040	30.5
107.04959	7.5
107.08595	31.0
109.02840	1.1
109.06504	5.4
109.09401	1.3
109.10152	22.0
111.04438	2.7
111.08068	7.7
115.05468	2.5
117.07022	11.3
119.04939	1.1
119.08589	28.5
121.06496	5.1
121.10145	28.0
123.04440	4.2
123.08082	3.1
123.11705	9.3
125.09648	5.0
127.03918	2.8
129.07005	12.2
130.07803	1.0
131.08582	22.0
133.06494	3.6
133.10143	18.6
134.10419	1.0
135.08035	1.6
135.11691	16.0
137.09630	2.5
137.13260	2.6
139.11201	1.1
141.07045	0.9
142.07741	2.1
143.08580	3.0
145.04974	4.1
145.10121	13.9
147.04395	1.8
147.08066	3.6
147.11685	17.0
149.09642	6.6
149.13260	9.0
151.11201	1.7
155.08531	2.1
157.10114	12.5
159.11682	9.3
161.09587	1.2
161.13254	7.2
163.06007	6.6
163.11180	4.1
163.14822	4.9
165.12762	3.7
169.10219	1.0
171.10278	1.2
171.11717	3.5
173.09624	1.6
173.13298	7.5
175.11186	8.6
175.14835	2.6
177.12813	1.0
181.10117	1.2
183.11688	1.7
185.13306	2.3
187.14850	3.9
189.11244	3.3
189.12794	2.1
193.12248	22.2
195.11679	2.3
199.14880	2.0
201.16431	1.9
205.12308	0.9
213.12761	0.9
227.12820	8.8
229.14424	1.0
229.18907	1.1
235.13383	3.1
241.14323	1.2
243.21080	7.6
249.14888	2.8
254.01009	1.1
259.13269	1.7
259.20532	1.6
261.22116	23.5
267.15924	92.4
273.14841	1.9
279.23196	2.4
281.20963	1.0
285.16843	1.5
285.22092	1.6
287.23462	1.1
299.23688	1.2
301.14462	2.7
301.25299	6.9
309.17035	4.1
317.24792	3.8
332.21304	1.1
333.16983	2.1
333.24176	1.5
335.25806	100.0
336.26160	2.0
357.24222	1.1
359.25797	1.8
383.72043	1.0
417.25952	1.0
417.31311	2.1
421.25967	2.8
435.27118	3.2
435.32599	6.0
449.28894	1.3
453.33453	8.1
471.34579	5.7
475.30716	1.3
509.36139	2.3
514.61279	1.1
527.37347	80.5
528.37842	1.4
545.38373	88.7
546.38538	1.5
563.38922	3.3
569.38525	12.2
587.39514	2.7
593.38586	1.3
611.39288	3.6
623.39215	3.0
635.39484	5.8
653.40100	3.1
671.41449	3.9
689.42651	1.3
695.95746	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.6
67.05509	30.9
69.03413	1.4
69.07072	9.1
69.30367	3.1
71.04971	1.6
71.08636	18.3
73.02924	3.8
75.02424	0.3
75.04453	0.4
77.48152	0.3
79.05499	18.0
79.05965	0.9
81.03405	0.7
81.07059	38.6
83.04980	0.7
83.08162	0.6
83.08623	9.5
85.02911	15.9
85.06525	1.1
85.10187	10.5
89.06031	0.8
91.03419	0.7
91.03963	10.5
91.05486	10.3
93.07048	24.5
94.26285	0.4
95.04955	1.4
95.08611	36.6
96.08932	0.5
97.02899	8.0
97.06527	1.1
97.10167	4.1
99.04461	0.9
99.08083	1.0
103.07595	0.9
105.07037	8.2
107.07885	0.7
107.08598	14.1
109.02853	0.8
109.06483	0.5
109.10166	16.3
109.36015	0.4
111.08071	1.1
111.11708	1.1
113.09676	0.4
115.03868	0.9
117.07040	2.8
117.09147	0.6
117.60316	0.3
119.07813	0.5
119.08595	6.1
121.10149	12.6
123.08076	0.5
123.11707	7.0
125.09670	0.4
125.13271	0.3
127.03915	4.7
131.08572	6.3
131.10657	0.4
133.10136	5.6
135.11700	9.7
137.09628	0.4
137.13257	2.4
139.11162	0.6
143.08670	0.5
144.06433	0.4
144.66870	0.3
145.03885	0.6
145.04964	5.5
145.10129	5.2
147.11694	4.7
147.67633	0.3
149.13269	7.1
151.14815	1.0
153.12674	0.4
159.11716	4.3
161.13277	3.4
163.06024	6.8
163.14832	4.2
173.13275	4.6
174.59302	0.3
175.14838	1.9
177.16393	1.7
180.08588	0.5
184.91768	0.4
187.14767	2.3
191.14218	0.4
201.16364	0.9
233.22699	1.5
239.23701	3.5
243.21097	10.0
257.24786	1.9
259.20526	0.5
261.22150	36.6
262.22598	0.5
279.23175	0.6
298.27246	0.5
299.23834	0.4
313.27380	100.0
314.27747	1.2
317.24765	5.1
335.25815	81.4
336.26050	1.2
353.26743	0.4
499.45078	1.1
513.13416	0.4
517.45868	0.5
573.48779	44.1
574.49194	1.2
591.49829	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	934.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.9
67.05511	44.9
67.47963	1.3
69.03429	10.7
69.07079	25.3
71.01370	2.7
71.04998	12.7
71.12577	2.5
73.02921	3.3
77.03954	2.0
79.05502	55.8
81.03427	34.0
81.06590	3.0
81.07066	53.8
83.01341	6.0
83.04988	19.3
83.08628	24.0
85.02914	26.3
85.06548	4.2
89.03944	1.6
91.03954	5.3
91.05492	43.9
93.07053	49.3
93.07648	3.0
95.04981	16.0
95.08619	25.3
97.02906	14.1
97.06542	14.7
97.10183	19.4
99.04492	3.4
105.04488	1.5
105.07041	35.0
107.04956	16.4
107.08607	34.1
109.06532	10.2
109.10162	14.8
111.04446	4.3
111.08096	6.8
113.05999	1.9
117.07029	17.2
119.08588	30.3
121.06525	6.6
121.10161	15.0
123.08097	11.2
123.11704	3.4
125.06016	2.4
125.09647	16.2
126.58518	1.4
127.03912	5.6
128.21466	1.4
129.05498	3.5
129.07022	7.3
130.07776	3.0
131.08580	21.0
133.06514	1.7
133.10149	21.2
135.04445	4.4
135.08070	6.3
135.11690	15.1
141.06879	1.7
142.07846	1.6
143.08553	5.0
145.02832	4.1
145.04962	3.4
145.06473	2.6
145.10141	24.4
147.08076	6.3
147.11711	15.3
149.09637	14.2
149.13260	5.6
151.11227	3.0
153.05414	1.5
153.12735	4.0
155.08557	3.7
157.10153	7.5
159.11720	9.0
161.09641	3.0
161.13304	2.0
163.03918	62.1
163.05995	2.8
163.11195	25.4
163.14767	1.5
169.10144	2.4
173.09651	5.7
173.11874	2.0
173.13295	4.4
175.11229	6.4
177.12819	4.2
179.14346	3.5
181.12314	2.6
183.11681	2.0
187.11211	2.3
187.14864	2.4
189.11244	8.6
189.12677	2.0
191.10721	3.5
193.12221	10.2
195.13759	2.0
197.13200	3.0
209.11787	5.1
211.13284	17.8
223.13322	7.0
227.12811	36.6
229.14285	2.0
236.63675	1.6
239.18025	2.8
247.20625	2.0
249.14981	3.6
253.14371	5.8
255.15747	2.3
257.19058	6.6
267.15906	13.6
269.17465	8.8
273.18497	8.8
275.20108	28.1
283.15421	74.9
285.16962	15.0
291.19574	40.8
325.09338	10.2
331.22519	2.4
349.23746	32.8
365.23291	26.2
379.21176	1.9
413.21390	1.7
437.25424	4.9
445.25848	2.9
453.24881	11.2
459.27417	3.2
461.28952	2.6
463.26770	12.9
477.28525	55.8
501.28104	1.8
517.31720	1.7
539.33551	9.3
557.34814	100.0
575.35858	61.1
597.28918	2.4
599.36896	1.7
621.32874	4.0
946.79651	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5859
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.9
69.03432	3.4
69.07095	0.5
70.76301	0.5
71.01366	0.6
71.04998	0.6
71.08644	0.8
73.02923	3.7
79.05497	1.1
81.03423	1.4
81.07058	2.2
83.01363	0.3
83.04993	0.2
83.08632	0.4
85.02911	5.3
85.10190	0.4
87.04462	0.5
91.03963	3.6
91.05485	0.9
92.26974	0.2
93.07040	1.1
95.08615	2.2
97.02897	4.9
97.10212	0.3
99.04457	0.9
101.02372	1.2
103.03960	0.4
105.07053	0.4
107.08618	0.7
107.13974	0.2
109.02918	0.9
109.10184	0.8
115.03957	0.5
119.08614	0.3
121.10166	0.6
123.11707	0.3
127.03943	1.6
127.10754	0.2
130.57623	0.2
135.11745	0.3
145.04953	0.4
185.04320	0.7
191.58127	0.2
203.05377	0.7
243.08392	2.1
294.21896	0.2
313.27594	0.8
335.25882	0.4
347.09586	2.2
363.09039	0.5
365.10593	1.4
405.13702	6.6
497.30881	4.0
519.29266	5.2
593.67633	0.2
659.36096	4.0
680.15619	0.2
681.34583	7.3
775.53296	1.3
937.58624	100.0
938.58984	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	937.5861
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.1
67.05505	1.7
69.03430	2.7
69.07076	0.7
69.80469	0.3
71.01351	0.4
71.05003	0.4
71.08630	0.7
73.02918	2.5
79.05496	1.0
81.03422	1.1
81.07053	1.8
83.04995	0.2
83.08617	0.5
85.02905	4.6
85.10207	0.4
87.04457	0.4
91.03955	3.0
91.05477	0.7
93.07043	0.9
95.08609	1.6
95.78983	0.1
97.02895	4.2
97.10181	0.2
99.04449	0.8
101.02378	1.6
103.03969	0.2
105.07039	0.3
107.08605	0.5
109.02884	0.7
109.10157	0.7
111.04394	0.1
115.03951	0.4
117.07049	0.1
119.08601	0.3
121.10152	0.4
123.11749	0.3
127.03928	1.5
131.08623	0.2
133.10178	0.2
135.11729	0.4
137.13306	0.1
145.04982	0.4
145.10223	0.2
147.11685	0.2
149.13287	0.1
159.11736	0.1
161.13091	0.1
173.13365	0.1
185.04204	1.0
201.03780	0.1
203.05273	0.5
235.04016	0.1
239.23698	0.2
243.08406	1.7
259.07986	0.1
261.22250	0.1
289.08826	0.1
291.75406	0.1
305.08533	0.1
313.27280	0.5
329.08578	0.1
335.25848	0.5
341.26962	0.1
347.09485	2.1
363.04449	0.1
363.09003	0.4
365.10547	0.9
405.13687	5.3
421.13116	0.1
423.76074	0.1
497.30862	3.6
519.29309	4.8
520.30334	0.1
659.36127	3.5
660.36597	0.1
681.34515	5.6
775.53046	1.2
937.58545	100.0
938.58728	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	941.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68683	0.3
66.09359	0.3
66.09747	0.4
67.05506	2.4
69.03439	3.2
69.07079	0.5
69.20288	3.6
71.01381	0.5
71.05005	1.1
73.02924	3.6
78.33119	0.4
79.05494	2.1
81.03427	2.5
81.07065	2.8
83.08636	0.5
85.02910	5.6
87.04478	0.6
88.09599	0.4
90.20950	0.3
91.03975	3.6
91.05493	1.7
93.07039	2.4
95.04963	0.9
95.08028	0.3
95.08581	1.9
97.02901	5.3
97.06579	0.4
98.20777	0.6
99.04481	1.0
101.02421	1.6
101.76229	0.4
105.07072	1.3
107.08603	0.9
109.02933	0.8
109.10212	0.9
119.08620	1.2
121.10191	1.2
127.03953	1.1
131.08658	0.5
133.10173	1.0
135.11763	0.4
147.11729	0.3
149.09654	0.7
175.11206	0.4
185.04324	1.1
193.12273	0.5
203.05339	0.6
233.84984	0.4
243.08434	1.9
259.07977	0.4
283.15125	3.1
288.66397	0.4
315.52151	0.4
335.25931	1.0
337.27823	0.4
339.17914	0.7
347.09509	2.6
355.07004	0.5
365.10822	1.0
405.13708	6.4
424.30661	0.4
489.38037	0.4
501.23065	6.2
519.29358	7.0
572.68005	0.5
663.28369	4.6
681.34662	8.1
766.46826	0.4
779.45551	2.5
941.50836	100.0
942.50726	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	954.615
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	53.5
69.03429	2.7
69.07072	13.9
69.79436	1.8
69.79841	0.7
71.05001	2.2
72.45847	0.4
73.02921	4.3
75.28252	0.4
77.03909	0.5
79.05498	35.3
81.03427	1.1
81.07059	57.1
83.04999	2.1
83.08623	7.6
85.02908	17.8
85.06540	2.1
91.03963	11.2
91.05482	24.4
93.06580	0.8
93.07047	46.4
95.04984	3.4
95.08609	46.6
96.04494	1.1
97.02903	8.5
97.06539	3.0
97.10168	3.5
98.21477	0.8
99.04461	1.1
99.08101	1.0
103.05501	0.6
105.04546	1.7
105.07035	19.1
107.08599	25.0
109.02896	0.8
109.06522	1.1
109.10162	22.4
111.08098	1.4
111.11713	0.8
113.09640	0.7
115.03952	0.6
117.07021	8.3
117.07853	0.5
119.08591	15.3
121.10152	22.8
123.08084	1.1
123.11711	8.2
125.09651	1.1
127.03922	3.9
129.07024	1.7
131.08574	15.0
133.10141	14.6
135.08092	0.5
135.11702	16.6
137.09627	1.0
137.13255	2.7
139.11188	0.9
143.08534	3.0
145.04985	5.4
145.10127	11.6
147.11693	10.9
149.09625	0.5
149.13272	9.5
151.11182	0.8
151.14819	1.5
153.12790	0.6
156.27872	0.4
157.10072	2.2
159.11702	9.7
161.13272	8.6
163.06024	6.9
163.11264	0.9
163.14824	4.9
165.12828	0.7
171.11713	2.8
173.11877	0.3
173.13287	8.4
175.14833	3.9
177.12837	0.7
177.16396	1.9
179.14343	0.7
181.10220	0.5
183.11742	0.9
185.13197	2.5
187.14824	3.7
189.16405	1.5
191.14314	0.9
191.17950	0.9
199.14883	1.8
201.16437	2.1
203.18044	1.0
211.14844	0.5
213.16499	0.7
215.18031	0.8
217.19478	0.8
231.21207	1.1
233.22562	0.8
239.18115	0.5
241.19632	3.9
243.21094	6.1
245.22713	0.9
257.19009	0.8
259.20609	10.6
261.22150	18.8
263.23697	2.6
273.22177	0.9
275.19995	0.6
277.21619	1.0
279.23251	0.7
281.20828	0.4
288.34402	0.4
299.23657	0.9
303.22504	0.4
315.23309	1.1
315.26721	0.6
317.24615	3.0
333.24234	9.6
335.25809	100.0
336.26120	1.5
337.27390	15.2
341.28543	0.5
343.25833	0.5
347.25720	0.5
351.25125	0.6
355.30234	0.5
497.30923	0.6
503.36893	0.8
516.14740	0.5
517.39276	0.6
521.43372	3.5
529.38696	0.7
531.40192	0.6
539.44379	1.4
543.40381	1.9
595.47253	18.7
613.48267	29.7
735.88953	0.5
927.39331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6303
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	89.2
69.03424	4.0
69.07071	34.1
69.73332	3.9
69.73754	6.0
71.04993	3.2
71.08639	3.7
73.02916	7.6
75.63621	1.5
79.05496	43.7
80.65625	1.6
81.07057	99.7
82.07388	2.5
83.04992	2.7
83.08619	20.1
85.02908	23.0
85.06564	2.4
85.10188	2.1
86.87760	1.6
87.24344	1.8
91.03965	15.5
91.05483	28.6
93.07044	54.6
95.04989	2.5
95.08609	84.6
97.02907	12.6
97.06525	5.3
97.10159	9.3
99.04482	2.0
105.04562	2.0
105.07033	23.8
107.08592	34.0
109.09470	3.1
109.10158	36.5
111.08086	3.5
117.07028	6.8
119.08577	20.6
121.10153	26.6
123.11721	13.2
125.09637	2.1
127.03078	1.8
127.03912	8.4
129.07002	1.5
131.08583	16.2
133.10126	18.7
135.11696	20.6
137.09674	2.3
137.13252	6.3
143.08563	2.9
145.04973	7.4
145.10123	9.3
147.11707	15.9
149.13266	15.1
149.87860	1.8
151.14751	1.7
159.11699	8.6
161.13263	10.9
163.05998	12.8
163.14816	8.0
171.11745	2.6
173.13297	9.5
175.14832	6.9
177.16452	3.6
185.13260	2.5
186.76746	1.7
187.14957	3.7
201.16344	1.9
203.18213	1.9
233.22627	1.5
241.19582	2.0
243.21097	10.2
245.22633	4.6
259.20581	6.0
261.22153	28.5
263.23682	7.6
311.57056	1.9
317.24817	4.5
333.24268	7.6
335.25797	94.7
336.26126	5.2
337.27374	100.0
338.27798	2.1
339.28885	8.1
390.56683	1.8
523.44922	5.4
545.42084	1.8
597.48755	48.6
615.49774	73.8
616.50128	2.7
809.30634	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	964.6203
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	43.8
69.03432	7.8
69.07068	22.0
71.04986	4.5
71.08630	24.6
71.53543	1.6
71.78740	1.1
73.02919	2.2
73.06581	1.1
79.05494	33.6
81.03413	10.3
81.07056	57.8
81.57357	1.0
83.04996	8.6
83.08618	17.0
85.02896	12.9
85.06540	3.6
85.10180	16.8
89.06019	1.2
91.03947	4.2
91.05479	29.0
93.06595	0.9
93.07040	35.4
95.04961	8.4
95.08605	36.2
97.02895	5.8
97.06535	8.9
97.10167	7.6
99.08103	2.4
103.07494	1.1
105.06401	2.0
105.07038	22.1
107.04971	5.7
107.08586	21.6
109.02888	1.4
109.06518	4.3
109.10149	19.4
111.08061	2.6
111.11725	1.3
115.05394	1.1
117.07016	12.7
119.08575	15.9
121.06514	3.1
121.10140	12.3
123.08083	2.9
123.11688	7.9
125.09626	2.9
127.03916	4.5
128.06258	1.8
129.05530	2.0
129.07005	4.6
130.07779	1.6
131.08569	13.7
133.06470	1.1
133.10130	15.5
135.08054	3.5
135.11705	11.2
137.09592	2.9
137.13278	1.2
141.06935	2.2
143.08569	3.1
145.04951	2.9
145.10124	9.4
147.08011	1.3
147.11690	8.3
149.09599	7.3
149.13258	8.5
151.11150	1.7
154.97327	1.0
155.08559	2.0
157.10159	3.8
159.11684	9.7
161.13258	3.0
163.06091	2.2
163.11214	6.3
169.10156	1.8
173.04477	2.5
173.13284	4.0
175.11148	1.9
177.12756	3.5
179.14288	1.5
183.11725	2.3
185.13353	2.0
189.16464	1.2
195.13824	3.3
197.13301	1.1
199.14774	1.5
200.06779	1.1
217.15862	2.8
227.12805	3.7
229.14383	6.9
229.19511	1.7
239.17918	2.3
239.23709	3.6
247.20598	2.8
255.15955	10.9
257.19003	8.1
257.24710	1.9
267.15979	2.1
269.17474	33.0
275.20053	23.8
291.19568	1.6
291.85950	1.1
293.17429	1.7
293.21088	3.3
303.15503	1.2
309.20663	2.7
313.27356	100.0
314.27573	1.3
331.22690	3.8
339.18311	1.5
349.23718	28.9
367.24796	4.5
379.21463	1.2
413.21542	3.3
466.35577	1.2
467.37341	6.6
491.40915	1.3
493.38956	20.5
507.40439	96.1
508.40558	1.7
521.41888	1.6
529.42841	1.6
547.43445	12.7
573.41815	1.4
587.46710	48.1
588.46106	1.6
605.47784	14.9
611.41528	1.3
651.44580	3.3
749.51624	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	966.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	10.6
69.03439	8.2
69.07071	6.7
70.96663	1.8
70.97014	1.9
71.04996	5.9
77.10234	1.0
79.05499	11.7
81.03416	16.8
81.07060	27.8
83.04969	10.4
83.08620	2.6
85.02895	7.5
85.06533	2.7
91.05489	13.7
93.07043	28.4
94.04202	0.9
95.04970	13.6
95.08617	11.7
97.02889	8.9
97.06540	13.9
99.04466	15.7
101.02365	1.2
101.06008	1.7
105.07035	33.6
107.04963	5.0
107.08598	22.5
109.02870	9.2
109.06525	18.9
109.10150	6.8
111.04453	5.4
111.08071	5.3
113.05994	1.8
115.05482	1.1
115.07579	1.6
117.05462	0.9
117.07068	4.6
119.04949	3.0
119.08584	21.4
121.02876	1.3
121.06507	25.3
121.10148	9.1
122.03627	1.3
123.04415	3.4
123.08075	15.4
123.11699	8.6
125.05965	7.5
127.03941	7.7
127.07573	8.9
128.06242	2.2
129.07048	4.7
131.04898	1.1
131.08575	9.6
133.06523	5.3
133.10124	9.0
135.04466	2.2
135.08073	12.2
135.11685	1.7
137.05986	37.8
137.09599	3.1
137.13264	1.3
139.07549	13.7
141.05457	1.2
141.06998	2.1
142.07765	2.4
143.07030	5.1
143.08560	10.3
144.07430	1.1
145.06488	6.2
145.10112	11.6
146.07246	2.0
147.08063	8.4
147.11697	62.3
149.06021	4.5
149.09622	4.4
149.13292	8.1
151.07573	10.4
152.99484	0.9
153.05496	1.4
155.07036	2.2
155.08527	3.5
156.09357	2.3
157.06493	1.6
157.08615	6.2
157.10117	13.1
158.07295	1.5
159.08060	7.2
159.11690	6.9
161.05972	2.8
161.09651	4.7
161.13249	3.9
162.06628	0.9
163.03902	4.9
163.07524	5.6
163.11198	3.6
163.14799	1.9
165.05518	1.9
165.06964	1.3
165.09056	2.3
165.12761	51.9
166.07655	1.3
167.07109	1.0
167.08577	1.8
169.08582	7.4
169.10127	4.9
171.08020	5.1
171.11685	13.6
173.09637	8.0
173.13261	3.6
175.07527	4.3
175.11191	14.5
177.09100	8.3
177.12709	1.9
179.07089	1.6
179.08528	1.4
179.10568	1.2
181.08640	1.4
181.10112	3.4
183.08060	2.2
183.11665	3.8
183.13771	5.8
184.08774	1.3
185.09627	4.5
185.13239	2.4
187.07532	3.4
187.11211	7.4
189.09103	4.0
189.12758	13.5
191.07039	1.3
191.10620	5.1
191.14291	6.7
193.08559	2.7
193.12251	25.3
195.08043	1.3
195.11694	2.9
197.09639	3.1
197.13298	1.8
199.09636	1.7
199.11179	10.7
201.09140	4.1
201.12743	4.8
203.06924	1.0
203.10666	3.7
203.14272	2.1
205.08595	3.3
205.12242	4.2
207.13831	7.9
209.09819	1.2
209.11674	2.6
209.13448	1.3
209.15352	16.7
211.07597	1.6
211.09520	1.7
211.11319	2.0
211.13095	1.8
213.09099	2.1
213.12720	5.1
215.10667	7.3
215.14246	2.6
216.11195	1.1
217.08736	1.9
217.12245	19.4
219.10152	2.6
219.13821	1.8
221.11736	2.6
223.09567	1.8
223.11385	1.5
223.13214	1.7
225.09132	1.6
225.12839	1.5
227.10678	3.4
227.14345	1.9
227.16353	2.1
229.12241	3.4
229.14362	18.7
231.13773	3.5
233.08064	1.2
233.11768	5.8
235.09508	2.3
235.11018	2.3
235.13286	46.1
237.12929	1.9
241.12312	3.4
243.10229	1.5
243.13980	1.4
245.11737	3.2
247.09576	2.6
247.13283	3.4
249.14833	2.3
251.12798	2.9
253.14369	100.0
254.14597	1.1
255.13823	5.2
257.15347	1.6
259.13388	6.6
261.11215	2.1
262.09970	1.0
263.12762	4.4
265.10400	5.0
265.14523	5.5
269.13513	1.3
271.15479	9.6
273.14771	3.4
277.14511	5.2
279.13779	1.5
281.13757	2.4
283.13120	3.6
287.16296	1.8
289.14243	2.2
291.16003	1.5
293.13998	1.1
295.15509	11.9
297.14713	2.9
299.16217	1.4
301.14368	5.5
305.11667	4.1
313.16605	1.9
315.15973	3.4
317.17371	3.7
319.15302	5.9
325.14157	7.2
331.15314	2.5
333.16861	2.6
335.18680	5.9
337.16431	4.1
343.15335	15.7
349.16504	1.1
353.19534	3.3
355.15445	3.8
361.16476	45.1
373.16464	5.9
379.17529	58.5
397.18607	52.7
415.19623	9.6
523.21552	1.3
541.22656	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	970.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	5.1
69.06739	1.8
69.07077	21.0
69.97739	6.1
71.04981	2.6
73.02917	4.0
73.35391	1.4
79.05498	64.6
81.03433	2.9
81.07063	72.6
83.05005	3.2
83.08621	12.9
85.02913	17.3
85.06538	3.0
91.03961	12.1
91.05485	68.9
93.07047	78.7
95.04980	5.5
95.08614	59.4
97.02908	8.0
97.06537	3.9
97.10165	5.1
99.04464	2.5
99.08068	1.7
105.04543	2.6
105.07037	63.5
107.08598	41.4
109.06496	3.9
109.09478	2.2
109.10168	25.9
111.08091	3.2
115.05515	1.6
117.07018	23.0
119.08596	53.1
121.10154	35.6
123.08030	3.7
123.11697	7.6
125.09580	2.5
127.03905	5.5
128.06241	2.2
129.07011	11.7
130.07846	1.7
131.08578	28.4
133.10136	42.1
135.11710	24.6
137.09592	1.9
137.13278	2.6
142.07819	2.9
143.08565	11.3
145.04988	4.7
145.10138	28.5
147.11696	35.6
149.09563	1.6
149.13257	15.7
155.08623	3.0
157.10126	9.2
159.11703	25.8
161.13252	21.3
163.06010	7.4
163.14854	5.7
169.10129	4.3
171.11745	14.8
173.13260	18.6
175.14789	10.4
177.12704	1.8
177.16348	2.3
183.11693	5.3
185.13254	9.5
187.14833	4.9
191.14323	2.9
192.49223	1.7
199.14861	7.2
201.16341	4.3
211.14807	1.9
213.16437	3.8
217.16113	1.6
231.21101	4.5
239.17967	2.2
241.19525	20.9
243.21121	3.8
257.19025	8.0
259.20602	54.7
261.22122	11.3
271.20764	1.7
283.20541	2.0
301.21725	2.2
315.23257	3.3
328.56998	1.9
331.22739	4.6
333.24252	46.0
335.25809	83.1
336.26358	1.7
337.27362	5.9
367.22375	1.7
428.00308	2.0
519.42035	7.6
535.27844	2.0
593.45465	16.8
611.46735	100.0
612.46985	2.9
623.46161	2.3
635.46887	2.2
677.47101	3.1
689.47595	3.0
701.47839	3.9
719.48114	3.9
737.49011	3.8
755.50562	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	980.6155
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	13.7
69.07074	32.2
70.80524	3.1
71.05002	11.3
71.08641	19.8
73.02908	4.9
73.98523	1.1
77.03899	1.2
79.05502	31.7
81.03420	19.6
81.06595	2.7
81.07063	43.0
83.04986	10.1
83.08631	12.8
85.02906	14.9
85.06544	3.4
85.10184	14.1
90.01790	1.3
91.03951	4.6
91.05483	25.8
93.06483	2.6
93.07047	31.2
95.04978	10.7
95.08617	34.6
97.02885	11.3
97.06536	58.2
97.10151	5.1
99.04453	5.1
99.08077	4.2
105.07042	18.9
107.04942	7.7
107.08593	14.5
109.02895	3.4
109.06528	12.5
109.10163	11.6
111.04413	2.4
111.08089	4.9
111.11717	1.8
113.05985	2.1
115.05490	2.6
115.07573	17.0
117.07018	10.3
119.08584	12.7
121.06533	6.1
121.10162	10.3
123.08078	3.9
123.11691	3.6
125.06000	1.5
127.03916	6.7
127.07495	1.6
128.06178	2.4
129.05508	2.7
129.07025	7.9
130.07854	1.5
131.08583	13.2
133.06474	4.2
133.10138	15.3
135.08054	7.4
135.11700	7.7
137.09528	1.8
141.06963	1.5
143.08571	2.6
145.04947	4.0
145.10136	9.5
146.08185	1.5
147.08060	4.0
147.11679	4.5
149.09637	5.1
149.13258	5.0
151.11191	4.1
155.08527	1.9
157.10143	6.2
159.08073	1.5
159.11703	8.8
161.09616	5.8
161.13193	1.5
163.11156	2.6
169.10056	2.1
171.11673	4.0
173.04478	9.6
173.09645	2.7
173.13327	1.7
175.11153	4.0
177.12735	6.6
179.10585	1.4
183.11742	2.2
185.13248	2.3
187.11180	1.9
189.12701	2.1
195.13815	3.4
199.14868	3.2
201.07611	1.8
203.14365	1.6
205.12250	1.6
217.15843	12.0
227.12819	1.8
227.17830	1.9
233.15317	3.3
237.16350	1.4
239.23714	2.3
245.19026	3.8
251.16382	2.8
253.14296	6.3
255.15813	4.0
257.24890	1.7
259.11823	1.9
264.81366	1.3
267.15768	1.8
269.17499	25.2
273.18503	37.8
289.18015	2.0
291.19580	20.2
297.16995	1.9
307.19028	8.2
313.27380	100.0
329.20966	2.0
341.26770	2.1
347.22171	19.2
349.23938	1.4
365.23233	17.8
369.30234	2.5
382.85666	1.5
383.24246	3.8
435.23456	2.2
493.38498	6.5
507.40497	43.0
509.38080	2.0
522.25122	1.4
525.66180	1.4
535.39862	3.2
545.42188	6.6
563.43201	2.6
575.46967	2.9
585.45453	13.0
603.46234	38.0
621.47339	20.1
639.48218	2.3
747.49597	1.7
765.51270	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	983.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19387	0.2
84.96049	0.9
85.02906	0.4
89.69182	0.3
91.67651	0.2
98.97592	12.9
102.97049	0.3
105.00169	1.0
110.97573	4.6
112.99144	0.6
116.98618	3.9
123.01190	1.3
124.99107	0.5
126.97069	0.3
128.98624	4.2
131.81937	0.3
134.99667	0.5
140.98595	2.2
141.02272	0.7
143.00168	4.0
146.99644	1.4
152.98619	1.4
153.02245	0.9
156.98167	0.4
158.83609	0.3
158.99658	6.1
159.00891	0.5
161.01257	2.1
163.03918	0.3
169.01804	0.3
170.99670	7.6
171.03345	0.5
173.01297	0.4
177.00731	3.6
177.02196	0.5
179.00101	2.1
179.02403	0.4
179.03865	0.4
182.99673	5.9
185.01213	0.9
187.02933	0.3
189.00725	5.6
191.02348	0.3
194.99728	0.6
195.03432	0.4
196.99409	0.6
197.01239	13.1
197.04865	1.5
201.00719	17.0
203.02304	1.1
205.01778	0.3
213.00685	1.7
215.02290	12.4
215.05843	0.7
219.01788	12.8
223.02779	3.3
223.04721	0.3
224.02356	0.3
231.01794	2.0
233.03278	0.6
237.02844	6.2
239.02292	6.0
241.03859	16.0
243.01796	7.6
245.05194	0.5
255.03970	1.1
257.03333	2.8
259.04913	13.6
261.02841	24.9
264.05591	0.3
269.03284	1.3
273.02902	1.9
277.05969	0.5
279.03891	12.9
280.04871	0.4
283.04910	12.8
291.03906	4.2
291.06903	0.4
293.03189	0.4
295.04794	0.6
297.04901	0.3
299.04489	0.4
301.06009	4.1
302.05627	0.5
309.04834	0.4
311.06271	0.6
313.05914	1.5
321.04941	4.8
323.04337	0.4
324.07468	0.3
331.06863	0.3
337.06247	0.4
341.05484	4.9
343.07089	1.3
351.06116	0.8
359.06485	0.7
367.07135	1.2
381.06964	2.2
385.08044	2.9
399.08148	1.5
403.09232	2.9
441.09198	5.6
453.09250	0.5
469.10684	0.4
469.60516	0.4
470.11041	0.5
471.09995	0.3
501.11432	1.1
521.11908	3.0
543.12646	0.4
565.14441	100.0
566.14594	1.3
603.14917	0.4
609.13348	1.0
723.18420	1.2
801.61804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	5.8
69.07072	19.3
71.04992	3.5
71.52960	1.7
73.02924	1.8
79.05496	59.3
81.03419	9.1
81.07059	75.7
83.04992	7.5
83.08622	11.6
85.02910	9.8
85.06533	4.2
91.03938	3.0
91.05485	48.7
92.05758	1.1
93.07050	64.1
95.04992	7.4
95.08611	43.3
97.02883	7.0
97.06535	7.5
97.10176	5.7
99.04462	1.3
99.08086	3.7
105.04529	1.4
105.07038	34.7
107.04970	4.8
107.08599	38.0
109.02894	1.6
109.06522	5.4
109.10155	20.9
109.10814	1.2
111.04440	1.7
111.08071	4.0
111.71267	1.1
115.05481	2.7
117.07022	16.2
119.08591	29.3
121.06509	4.7
121.09325	2.1
121.10146	25.0
123.08096	3.0
123.11699	7.7
125.09648	3.7
127.03922	3.6
129.05502	1.7
129.06999	4.5
131.08577	24.0
133.10132	20.0
135.08055	3.6
135.11691	16.0
137.09630	2.1
137.13263	1.5
141.07005	1.4
143.08496	5.2
145.04993	2.1
145.10133	15.4
147.08061	1.8
147.11716	13.8
149.09605	5.3
149.13292	10.0
151.11203	2.6
155.08554	3.3
157.10133	5.3
159.11696	15.6
161.09581	1.8
161.13275	8.5
163.11171	3.6
163.14798	2.6
165.12776	2.0
169.10127	2.4
171.11699	4.1
173.04504	2.3
173.11885	2.2
173.13275	7.5
175.11197	2.3
175.14864	1.7
177.12782	3.8
179.14319	1.6
183.11649	2.7
185.13214	5.8
187.14857	3.0
189.11200	1.7
189.16412	1.5
191.14272	1.4
195.13776	3.8
197.13289	2.9
199.14844	3.6
201.16383	1.3
203.14375	1.3
217.15932	1.8
219.17421	2.5
227.12804	4.0
229.14357	5.6
235.16974	1.9
239.17953	3.8
243.21094	3.2
247.20741	1.4
255.15939	3.3
257.18918	6.7
259.20557	2.8
261.22150	11.5
267.15930	1.2
269.17474	23.9
275.20078	20.0
277.21619	1.8
283.19049	1.4
291.19626	1.3
293.21173	3.2
294.27914	1.1
309.20541	9.7
317.24774	2.2
331.22717	3.5
333.24341	2.4
335.25818	100.0
349.23727	27.3
367.24841	3.6
413.21652	1.3
437.33951	1.4
489.35583	6.5
515.37329	12.5
529.38928	75.1
543.40277	3.5
547.39606	1.8
569.42047	26.7
609.45099	42.7
610.45404	1.6
627.46381	14.2
673.42853	2.5
735.49249	1.4
771.50122	3.0
894.75507	1.3
897.12268	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	2.8
69.07069	0.6
71.01375	0.4
71.05000	0.2
73.02925	2.2
75.90282	0.2
79.05506	1.7
81.03431	1.4
81.07056	2.3
83.05017	0.2
83.08622	0.3
85.02912	4.1
85.03389	0.4
87.04504	0.3
91.03960	2.7
91.05485	1.6
93.07055	1.8
95.04997	0.5
95.08623	2.1
97.02893	4.1
97.03440	0.3
99.04488	0.6
101.02407	1.5
103.03981	0.3
105.07031	1.1
107.08583	1.2
109.02914	0.6
109.10184	0.7
115.03992	0.3
117.07057	0.4
119.08617	0.7
121.10186	0.9
127.03896	1.2
131.08629	0.3
133.10190	0.5
135.11729	0.5
144.25101	0.2
145.10185	0.4
185.04343	0.8
203.05379	0.7
206.15689	0.2
243.08403	1.7
285.15741	0.2
307.09637	0.2
333.20346	1.7
335.25873	0.4
347.09528	1.7
363.09207	0.6
365.10428	1.1
396.73615	0.2
405.13733	5.8
439.19724	0.5
453.21326	0.6
519.29309	5.2
551.28290	3.0
612.63617	0.2
615.26056	0.4
681.34528	5.7
713.33447	2.1
829.50586	1.5
893.48712	0.2
902.34100	0.2
991.56073	100.0
992.56348	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	996.611
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.9
69.06737	0.8
69.07075	9.6
71.01340	1.9
71.04983	2.2
71.08636	15.9
73.02926	3.8
79.05494	12.4
81.03424	7.2
81.07061	23.5
83.04990	3.9
83.08154	1.1
83.08621	13.9
85.02908	17.0
85.03430	0.8
85.06529	2.6
85.10185	11.5
87.04451	2.7
89.06020	1.2
91.03975	6.7
91.05482	6.5
91.85082	0.5
92.56361	0.6
93.07047	7.0
95.04959	2.7
95.08610	19.9
97.02892	8.4
97.06535	3.2
97.10169	11.7
99.04459	1.2
105.07047	2.9
107.04946	1.6
107.08591	7.2
109.02885	0.9
109.06497	1.7
109.10162	40.6
111.04416	0.9
111.08091	2.3
111.11726	0.7
117.07017	1.9
119.08588	4.7
121.10150	1.7
123.08078	1.5
123.11674	2.8
125.09647	10.9
127.03928	3.0
129.05476	1.3
129.06950	0.8
131.08624	0.8
133.10173	1.4
135.11678	1.8
137.09612	2.5
137.13188	0.6
143.10651	1.7
145.04930	3.3
145.10088	2.9
149.09608	1.0
153.09128	0.9
153.12761	1.8
155.10666	2.5
163.06021	3.7
163.11194	6.0
173.09692	1.0
173.10118	1.1
173.11731	11.0
181.12213	2.2
191.10684	2.3
193.12234	2.1
199.13318	6.9
209.11761	5.8
211.13333	1.1
227.12813	9.1
229.14360	48.4
239.23695	3.8
257.13751	1.0
257.24738	0.9
265.14435	1.7
267.15985	3.6
283.15372	5.5
284.94897	0.6
301.16486	22.8
313.27377	100.0
314.27744	1.3
341.26810	3.1
380.49203	0.7
399.23853	15.9
437.36301	4.7
455.37375	10.8
467.37363	34.7
468.37537	0.9
505.38809	2.1
521.38568	3.2
523.39819	1.8
539.39490	15.7
557.40369	6.0
610.53882	0.8
637.46759	44.5
638.46753	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.1
71.05003	0.4
75.52481	0.2
79.05490	0.7
81.03425	2.3
81.07053	0.2
85.02911	1.9
87.00834	1.7
91.05479	1.8
93.07058	0.2
94.04194	1.9
95.04968	0.5
97.02898	3.2
99.04456	0.7
103.05460	0.4
105.01890	1.1
105.07018	0.5
107.04922	1.2
108.05743	0.4
109.02892	3.9
109.06531	0.4
111.04456	0.5
115.05473	0.6
117.07010	1.1
119.04942	0.5
121.06517	4.7
122.03661	4.4
124.35179	0.2
127.03928	3.0
128.06201	0.2
129.07010	0.4
130.04198	0.3
131.04947	1.4
133.06517	1.5
135.04433	0.6
135.07959	0.2
136.05199	1.4
137.05986	100.0
138.06352	0.9
141.07007	0.2
143.08519	0.2
145.04955	0.4
145.06508	1.7
146.07271	4.1
147.04448	0.9
147.08057	1.5
149.05998	4.8
150.06743	0.4
151.07552	26.0
152.07974	0.3
153.74593	0.2
157.06497	0.5
158.07242	0.2
159.08002	0.3
160.05252	0.2
160.08862	0.3
161.05994	3.2
162.06792	1.4
163.03882	0.3
163.07565	1.4
165.05486	2.9
165.09091	1.1
171.07996	0.3
172.08815	0.2
173.05981	0.2
174.06766	1.0
175.07558	2.2
176.08281	0.3
177.05524	3.3
177.09113	15.3
179.07062	2.6
181.04959	0.3
185.06010	0.3
187.07561	1.0
188.08342	0.7
189.05534	0.2
189.09100	3.5
191.06989	0.4
191.10675	1.1
197.04430	0.4
199.07545	0.2
201.05510	0.5
201.09108	2.2
201.71249	0.2
203.07040	1.6
203.08745	0.3
203.10663	1.2
205.08641	0.8
212.04802	0.3
213.03883	0.4
213.09140	0.4
215.07068	0.3
217.08609	1.1
219.08275	0.4
219.10094	1.4
227.07022	2.1
229.08577	0.3
230.07249	0.3
231.04982	1.0
231.08058	0.4
231.10161	0.4
235.09286	0.3
235.11208	0.6
237.11238	4.6
237.13507	0.4
241.08598	0.5
245.07715	0.4
245.09824	0.6
246.10474	0.8
247.07628	0.4
249.11363	0.2
259.07516	0.3
261.09177	0.6
262.09946	1.0
263.10687	1.0
273.08997	1.3
274.09903	2.0
275.07370	0.2
275.10751	0.5
277.12256	1.6
278.12869	0.2
279.10126	0.2
288.11429	0.2
289.08728	0.2
290.09351	1.3
291.10175	1.2
295.13312	2.8
304.10855	0.3
305.11755	13.7
306.12411	1.3
307.09833	0.4
309.14905	1.1
319.13452	0.3
321.11163	0.4
322.12256	0.9
323.12805	4.5
326.15149	0.4
329.11823	0.3
335.12839	0.3
337.14401	5.6
341.17532	3.2
347.12820	0.5
349.14282	0.3
355.15417	26.6
356.15771	0.3
359.18481	0.8
361.14420	0.3
365.17447	0.2
369.16989	0.5
373.16476	38.8
374.16724	0.6
379.15356	2.7
393.13336	0.2
397.11328	0.4
397.16510	6.7
399.14352	1.1
403.15237	0.2
415.17551	2.2
417.15988	0.5
421.16122	0.3
435.18124	0.6
439.17599	2.0
445.16492	0.6
449.19849	0.3
463.17557	6.2
481.18649	4.4
549.17413	0.4
567.18610	1.6
585.19434	0.4
736.40961	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6563
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	0.9
71.52258	0.9
78.95878	0.6
83.29394	0.6
96.96015	12.4
97.06576	3.3
161.02425	0.7
165.18031	0.6
169.09961	0.6
179.03464	0.8
191.14417	0.9
260.60349	0.6
277.21771	1.8
278.22131	0.7
324.19333	0.5
338.53513	0.6
343.21292	2.0
389.28537	0.9
391.30063	5.1
393.31824	4.1
405.31754	2.9
407.33307	7.1
409.31232	1.0
423.32953	1.2
437.30624	6.5
438.30780	0.9
439.32095	2.3
441.33685	16.3
442.34277	1.6
449.30869	1.1
449.47864	0.8
451.32126	8.6
452.32132	0.8
453.33716	100.0
454.34058	10.0
467.31567	2.1
469.33209	31.0
470.33423	2.7
471.35178	0.8
487.34277	55.5
488.34561	5.7
497.33096	0.6
513.32263	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	101.0244
Annotation	(R)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
55.01877	56.6
57.03445	81.2
58.00585	6.5
58.03798	4.5
59.01374	51.1
62.03930	5.5
62.44878	4.3
69.80643	23.4
71.01381	35.1
73.02939	83.7
83.01385	13.2
85.02945	18.3
85.13191	4.8
100.94608	86.3
101.02439	100.0
101.06084	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	101.0608
Annotation	ETHYL PROPIONATE
Peak:m/z	Relative Intensity
55.01883	32.0
55.35807	6.4
57.03449	59.9
57.08425	5.2
58.00587	18.1
59.01374	59.1
63.57869	5.5
71.01379	38.1
71.05026	9.5
71.22129	9.5
73.02937	100.0
83.01369	7.5
85.02948	100.0
96.87840	7.5
101.02441	81.9
101.06077	58.3
108.18013	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	1011.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06749	1.0
71.01372	1.5
72.99304	0.5
73.02938	1.2
77.03981	0.2
85.02942	0.8
87.00874	0.8
89.02438	0.7
91.58409	0.2
93.03437	0.3
101.02436	1.2
103.03982	0.4
105.03443	0.5
107.05014	0.5
108.02187	0.3
109.02950	3.1
111.00862	0.9
117.03486	0.5
119.03503	0.3
119.05032	0.4
121.02959	0.7
122.03742	0.5
123.04523	3.8
125.02460	0.6
131.03445	0.3
131.05022	0.3
132.02126	1.4
133.02948	26.8
134.03780	2.2
135.04517	32.8
136.04852	0.5
137.02414	1.0
139.03983	0.5
145.05025	0.4
147.04504	1.0
148.05298	0.8
149.02438	0.8
149.06075	4.0
150.03229	3.6
151.04004	7.8
161.02429	77.6
162.02733	2.0
163.06209	0.3
174.03214	0.6
175.03986	5.1
177.05559	4.9
179.03487	24.4
180.03807	0.7
189.05557	0.6
193.05023	0.5
203.03482	14.4
204.03848	0.4
205.05246	0.2
207.06551	0.6
215.03508	0.4
221.04550	3.6
233.04517	1.0
243.02855	0.2
245.04346	0.5
251.05544	0.6
255.02965	0.6
269.27902	0.2
271.02490	0.9
300.02704	2.1
301.03381	0.9
367.10095	0.3
397.11246	0.3
421.49857	0.3
427.12485	2.3
433.06931	0.2
441.14032	0.3
459.15161	0.6
469.13400	0.6
487.14536	22.1
488.14813	1.0
513.90070	0.2
609.14636	3.7
610.14813	0.3
621.18188	100.0
622.18500	8.4
622.26099	0.2
851.70093	0.3
938.44604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	19.0
72.99284	1.0
73.02943	7.3
73.92509	0.3
81.03423	0.6
83.01379	3.4
85.02943	6.2
87.00861	0.9
89.02440	8.8
91.05510	0.5
93.03462	3.5
93.43993	0.3
95.01372	1.6
95.05016	1.9
97.02920	1.0
98.20628	1.4
99.00867	2.7
101.02435	13.8
102.02757	0.5
103.05540	0.8
106.04239	1.1
107.05037	0.4
113.02438	9.7
119.03477	3.2
119.04986	2.6
121.02933	0.5
121.06593	10.0
125.02454	0.9
131.03426	0.5
139.04002	30.0
140.04324	0.9
141.12825	0.7
143.03511	1.1
147.04482	0.5
149.04497	1.4
159.03015	0.4
161.02444	0.6
161.04543	4.9
163.07625	0.7
165.05547	14.2
165.12798	0.9
166.05916	0.7
167.44135	0.3
171.13887	0.8
171.74191	0.4
179.05577	1.1
181.05052	0.4
183.06604	12.8
185.11804	10.4
191.14404	0.5
199.13376	2.4
203.05591	2.1
207.06512	0.5
209.04530	19.0
209.11806	0.4
209.15366	0.5
210.04895	1.1
221.06590	0.5
227.05626	1.7
227.12827	2.2
229.59102	0.4
233.29420	0.4
287.29419	0.3
298.67151	0.3
323.97113	0.4
327.10916	1.2
345.11899	6.8
346.12051	0.6
353.19724	1.6
371.20673	8.0
372.20895	0.6
387.76285	0.4
389.10751	2.2
413.21762	35.0
414.22000	2.6
513.23389	17.4
514.23895	2.1
515.24500	0.6
557.22308	100.0
558.22675	10.7
559.23029	2.5
593.15167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	22.2
71.05028	0.4
71.53443	0.3
72.01690	0.3
72.99293	0.9
73.01780	0.3
73.02941	7.6
74.03251	0.4
75.00835	0.3
75.96860	0.3
81.03442	0.4
83.01389	3.1
84.01689	0.4
84.84586	0.3
85.02942	6.7
87.00852	1.2
89.02442	8.2
91.05553	0.4
93.03449	3.4
95.01382	1.3
95.05031	2.2
97.02942	0.5
98.61519	0.3
99.00865	3.1
101.02431	14.1
101.60686	0.3
103.05508	0.8
104.80360	0.3
106.04215	1.1
111.00851	0.5
113.02442	8.2
119.03512	3.3
119.04993	2.5
121.02913	0.5
121.06590	12.2
122.06903	0.4
125.02440	0.8
131.03484	0.8
135.04480	0.6
137.06070	0.6
137.09691	0.4
139.04007	29.5
139.11247	0.5
140.04340	0.9
141.12834	0.7
143.03491	1.8
147.04475	0.7
149.04562	1.4
159.02946	0.6
159.22227	0.3
161.04541	4.7
162.04846	0.5
163.04048	0.3
163.07645	0.6
165.05554	14.8
165.12811	1.2
166.05896	0.3
171.13849	1.5
179.05608	1.2
179.07031	0.3
181.05008	0.3
183.06607	12.8
185.11804	11.8
186.12158	0.4
191.14386	0.9
199.13396	3.1
203.05580	1.8
207.06596	0.3
207.13843	0.8
208.14153	0.5
209.04538	18.2
209.11736	0.6
209.15538	0.7
210.04866	0.8
221.06587	0.5
227.05522	1.5
227.12825	2.0
244.77370	0.3
252.29668	0.3
292.02164	0.3
327.10800	1.6
345.11856	6.1
346.11990	0.4
353.19543	2.1
371.09851	0.5
371.20660	9.7
372.21100	0.4
389.10764	2.5
413.21774	34.4
414.22083	2.2
513.23383	17.2
513.31348	0.4
514.23932	2.3
520.59448	0.3
557.22327	100.0
558.22620	11.6
559.23102	2.4
1004.88446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.339
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	42.4
72.01718	0.6
72.99313	2.8
73.02932	3.3
75.00854	0.4
77.18671	0.4
81.03474	1.2
83.01400	2.1
85.02948	10.7
87.00864	2.8
89.02438	44.4
90.02818	0.7
91.05526	1.2
93.03443	6.3
93.03931	0.5
95.01378	2.9
95.05023	3.6
97.02948	1.0
99.00873	3.8
101.02433	24.1
102.02819	0.6
103.05540	1.9
106.04251	1.2
107.05051	3.5
108.02127	0.9
111.00877	1.1
113.02442	17.1
117.07160	0.8
119.03500	16.7
119.04979	5.6
121.02972	1.1
121.06590	18.0
122.06936	1.0
131.03471	2.8
133.06596	1.4
135.04510	11.3
137.06111	1.3
139.04004	41.2
140.04373	1.5
141.01894	0.7
143.03506	4.9
145.06519	0.6
147.04512	1.3
147.28722	0.4
149.04556	2.3
149.06081	0.6
153.05672	0.5
156.05830	0.8
157.06648	1.1
159.02979	3.7
160.03333	0.6
161.03282	0.8
161.04567	7.9
161.06097	15.2
162.06351	0.8
163.07635	1.0
165.05557	22.2
166.05933	1.3
171.08165	1.5
173.06078	0.8
179.05600	40.1
180.05872	0.6
183.06607	21.4
184.06966	0.8
199.07628	17.6
201.05563	1.9
205.36444	0.5
207.06679	0.7
209.04510	5.4
217.08768	0.6
227.05626	1.7
227.10815	0.9
251.07692	4.1
253.08672	0.8
271.09729	8.4
308.45612	0.4
315.10965	2.2
316.11191	0.7
345.11874	20.1
346.12216	1.3
359.11877	0.6
379.13925	11.9
380.14078	0.5
389.10858	100.0
390.11124	7.8
391.11459	2.4
451.16040	68.2
452.16443	3.6
631.22211	1.0
856.80273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	9.4
72.99311	0.4
73.02940	1.2
79.05567	0.2
81.03453	0.3
83.01385	1.1
85.02939	3.3
87.00880	0.9
89.01879	0.3
89.02435	6.1
91.05544	0.5
93.03455	3.1
95.01379	0.8
95.05009	2.3
97.02933	0.4
98.19991	0.4
99.00866	1.3
101.02431	6.6
103.05536	0.6
103.14722	0.2
106.04232	1.1
107.05030	0.5
109.06574	0.3
111.00862	0.8
113.02442	5.1
119.03518	2.2
119.05016	2.4
121.02942	0.4
121.06588	12.6
129.01926	0.2
131.03461	0.4
135.04509	0.5
137.06071	0.6
139.04001	28.7
140.04362	0.8
141.01935	0.8
143.03499	0.8
145.06537	0.4
147.04539	0.5
151.07591	0.2
159.02960	0.5
161.04544	1.8
161.05963	0.4
163.07645	0.7
165.05553	17.1
166.05882	0.4
174.13417	0.2
179.05595	5.8
179.07069	0.2
181.05057	0.2
183.06602	17.2
184.06964	0.5
207.06567	0.3
209.04524	5.0
225.07687	0.5
227.05612	1.4
227.60138	0.2
301.12946	0.3
345.11856	15.6
346.12231	0.7
389.10846	100.0
390.11172	4.4
391.11459	0.2
451.16055	3.8
793.68933	0.2
1044.82751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	58.1
72.99300	2.1
73.02940	38.2
74.03277	0.8
75.00867	1.2
83.01379	22.4
85.02944	16.9
87.00866	3.2
89.02438	25.7
95.01387	7.2
97.02926	1.2
97.06596	1.3
99.00864	1.7
101.02436	42.3
101.84035	0.7
113.02441	46.0
115.03973	0.7
119.03489	11.8
121.02942	1.7
122.03732	1.9
123.04479	0.9
125.02446	1.5
131.03514	4.5
137.06065	2.0
143.03503	5.0
149.04575	4.7
155.03526	0.7
161.04549	25.5
161.05859	1.0
167.10727	1.1
179.05574	6.6
183.13875	1.0
221.04788	0.7
221.06483	3.8
300.55127	0.7
327.18027	0.9
342.10999	1.3
357.13394	24.4
358.13803	1.7
392.35956	0.8
397.22256	72.4
398.22607	3.8
415.23355	38.1
416.23804	2.0
457.24393	100.0
458.24725	6.1
469.51837	0.8
519.18719	2.2
572.01044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	0.6
71.53712	0.2
73.02908	0.1
83.01381	31.7
84.01728	0.4
85.02927	0.3
93.03445	0.5
94.63247	0.1
101.02451	0.2
108.02154	0.2
109.02942	0.2
113.02396	0.1
121.02077	0.2
121.02944	4.7
122.03736	7.3
123.00882	0.2
123.04533	3.5
124.01668	0.3
135.04524	0.3
136.01624	0.4
136.05280	1.8
137.02435	0.5
137.06071	6.5
146.03746	0.3
147.04524	3.1
149.06113	0.3
151.03976	0.2
154.02759	0.2
159.04506	0.1
161.02432	0.4
161.04781	0.2
161.06041	1.7
162.06895	0.7
168.04263	0.4
175.03922	0.1
176.04716	0.2
191.07097	0.5
195.06639	0.2
204.04187	0.2
205.05037	0.3
206.05856	0.5
209.08174	2.5
219.06624	0.1
221.08162	3.9
222.08476	0.2
283.09634	0.3
295.13434	0.4
298.12076	1.0
313.14426	1.7
335.20715	0.2
342.11038	5.1
343.11493	0.4
357.13388	100.0
358.13724	6.8
362.35956	0.1
377.21918	0.6
501.17792	0.9
502.18344	0.1
519.18732	0.4
543.30896	0.1
561.19702	10.8
562.20203	1.1
569.25958	0.1
743.55603	0.1
800.99530	0.1
809.86469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	2.3
73.02940	79.3
75.00864	1.1
81.03452	1.3
83.01380	35.2
85.02940	15.6
87.00854	3.0
89.02437	21.0
95.01391	4.0
97.02962	2.2
99.00861	1.6
99.04478	1.1
101.02435	100.0
102.02745	1.0
113.02438	45.3
114.02792	1.3
119.03487	13.6
119.04988	6.2
121.02910	2.1
123.00860	1.3
125.02415	3.3
128.23141	1.0
131.03487	11.9
132.02238	0.9
133.02957	2.8
135.04500	3.2
136.05330	1.4
141.87392	1.0
143.03485	13.6
147.02971	1.0
149.04533	23.4
155.03462	2.9
160.01669	1.7
161.02597	4.4
161.04539	44.7
163.04021	4.6
175.03957	2.3
179.03502	1.2
179.05594	3.1
191.05574	1.3
193.05066	1.7
203.05527	6.5
221.06638	16.2
235.16873	1.1
253.44756	1.0
273.88300	0.9
279.74371	0.9
337.09161	1.8
371.14960	6.9
397.22241	31.8
397.27432	1.7
398.22464	1.4
413.21747	1.0
415.23325	15.3
455.31406	1.5
457.24313	24.8
458.25012	1.5
458.38327	1.0
501.14114	6.6
501.32135	4.6
776.23993	1.0
1050.83337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1042.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99290	0.1
73.02951	1.2
75.00855	0.2
77.42455	0.1
81.03458	0.2
83.01411	0.1
85.02934	0.9
87.00864	0.6
89.02451	0.5
89.03953	0.2
89.38329	0.2
91.05557	0.2
93.03458	0.5
96.95992	0.3
97.02937	0.2
101.02430	1.3
103.03992	0.4
104.02652	0.2
105.03446	0.7
107.05029	0.5
108.02175	0.4
109.02943	2.8
111.00893	1.0
113.02430	0.1
115.00366	0.1
115.01900	0.2
115.04000	0.2
116.26971	0.1
117.03454	0.6
119.03497	0.4
119.05038	0.3
121.02952	2.3
122.03727	0.4
123.00918	0.2
123.04517	3.6
125.02448	0.5
131.03555	0.4
132.02176	2.0
133.02950	26.5
134.03786	2.1
135.04517	30.2
136.01637	0.6
136.04871	0.5
137.02461	0.9
139.04016	0.2
143.03482	0.4
147.04503	0.9
148.05260	0.9
149.02452	0.9
149.06071	3.5
150.03215	3.5
150.06448	0.2
151.03996	8.2
160.01628	0.2
161.02431	76.5
162.02776	1.7
163.04004	0.4
163.06133	0.4
169.26276	0.1
171.04410	0.2
174.03203	0.5
175.03989	4.6
176.04456	0.2
177.05557	4.9
178.02792	0.3
179.03485	22.7
180.03853	0.6
180.42633	0.1
189.05556	0.7
191.05595	0.2
193.05005	0.3
201.05495	0.2
203.03487	12.4
204.03851	0.6
205.05084	0.3
205.07062	0.2
207.06648	0.5
215.03500	0.3
219.06400	0.1
221.04541	2.9
233.04509	1.3
235.72383	0.1
245.04590	0.2
251.05637	0.6
291.18216	0.2
356.12585	3.2
367.10336	0.4
371.14932	5.0
372.15219	0.3
397.11273	0.3
409.11264	0.3
427.12552	1.7
441.14041	0.2
459.15033	0.6
469.13483	1.0
487.14548	20.5
488.14828	1.1
504.96182	0.1
621.18176	100.0
622.18469	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	1043.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02952	0.6
75.18731	0.2
78.41132	0.2
85.02957	0.8
87.00842	0.6
89.02454	0.6
89.04009	0.3
93.03442	0.2
95.05006	0.3
101.02454	1.3
103.04019	0.3
105.03455	0.8
107.05032	0.5
108.02177	0.7
109.02968	2.1
111.00901	0.3
115.01939	0.3
115.03964	0.3
119.03492	0.2
119.05006	0.3
121.02975	0.5
122.03745	0.7
123.04520	6.1
125.02411	0.3
131.03477	0.2
132.02170	2.1
133.02948	30.0
134.03694	1.3
135.04518	21.7
136.04857	0.4
137.02454	0.7
143.03493	0.4
148.05251	0.3
149.02435	1.1
149.06068	1.2
150.03226	5.2
151.03999	12.8
153.01750	0.2
159.04521	0.2
161.02429	82.0
162.02739	2.1
163.06105	0.7
173.02420	0.3
174.03375	0.3
175.04022	1.4
177.05522	3.3
179.03482	18.5
180.03836	0.4
189.05589	0.3
191.05632	0.5
193.05022	0.5
203.03477	6.4
205.05188	0.2
205.07156	0.5
207.06584	0.3
215.03378	0.3
221.04587	2.2
233.04544	0.6
251.05661	0.3
271.58606	0.3
367.10367	0.4
427.12375	0.5
459.14963	0.7
469.13736	0.4
477.15961	0.4
487.14597	2.4
515.32837	0.3
529.15680	1.5
559.87695	0.3
621.18140	14.6
622.18939	1.1
639.19220	100.0
640.19556	7.3
649.07440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02940	0.6
73.21365	0.1
74.20524	0.1
83.01379	6.0
85.02935	0.8
87.00875	0.2
93.03445	3.0
96.96009	0.2
99.00869	0.3
101.02428	1.4
105.03423	0.1
107.04985	0.1
109.02942	0.9
111.00860	0.2
113.02422	0.7
117.03447	0.4
119.04963	0.1
121.02943	31.6
122.03826	1.1
123.00874	0.4
123.04537	0.6
124.01678	0.2
124.04797	0.2
125.02487	0.2
132.02106	0.3
133.02943	3.9
134.03339	0.5
135.04510	7.3
136.01646	1.3
136.05203	1.5
137.02415	0.8
138.03186	0.2
145.02895	0.2
147.04533	0.6
148.05276	0.2
149.02412	0.3
149.06071	0.7
150.03232	0.6
151.04005	2.6
152.04300	0.3
154.02652	0.3
160.05226	0.1
161.02426	10.9
161.04584	0.6
161.06064	0.3
162.02779	2.3
163.02943	0.1
163.04013	1.3
164.04720	0.4
168.04221	0.7
174.03210	0.1
175.03966	0.8
175.32411	0.1
176.04512	0.2
177.05545	1.3
178.05836	0.2
179.03465	3.4
180.03796	0.7
189.05562	0.2
191.05450	0.1
203.03494	1.7
204.03899	0.6
209.07867	0.1
221.04486	0.4
255.06534	0.3
256.07327	0.2
291.18112	2.8
308.06851	0.2
326.07828	0.3
326.11401	0.2
341.10022	0.2
341.13879	0.2
356.12589	58.4
357.12936	3.4
371.14920	100.0
372.15262	6.4
372.20084	0.2
423.22299	3.4
424.22415	0.2
427.12375	0.3
487.14496	1.4
487.34024	0.2
488.14801	1.1
613.92871	0.1
621.18158	5.4
622.18524	8.3
623.18152	0.7
863.19708	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	105.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.6
69.55363	8.4
72.99305	70.8
75.00867	24.9
103.00413	1.2
105.01932	100.0
106.02251	2.5
109.91179	1.2
109.91922	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0193
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
51.26063	0.8
54.95005	0.8
59.01376	17.8
71.50988	1.2
72.99303	64.9
73.91406	0.8
73.99660	1.1
75.00866	22.2
103.00368	1.4
105.01927	100.0
106.02267	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	1051.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99301	0.3
73.02943	2.0
83.01380	16.7
85.02939	3.1
87.00883	0.4
93.03438	2.5
95.01391	0.4
96.95974	0.3
97.02937	0.3
99.00873	0.7
99.04514	0.3
101.02433	5.3
109.02954	0.2
113.02423	2.7
117.03456	0.3
119.03471	0.5
119.04990	0.3
121.02947	25.8
122.03688	1.1
123.00892	0.7
129.01991	0.4
131.03494	0.3
133.02965	0.7
135.04510	1.8
136.01634	1.0
136.05281	5.4
137.02449	0.5
137.05994	0.4
138.03232	0.3
143.03470	0.5
147.04488	0.5
150.03264	0.3
151.03984	1.2
153.23967	0.2
154.02661	0.3
159.02959	0.8
161.02461	1.2
161.04561	2.6
161.05913	0.4
162.03221	0.3
163.03970	1.1
164.04770	0.5
165.05562	0.4
165.12816	1.8
166.02658	0.2
168.04268	2.2
175.03931	0.3
177.05550	0.6
179.03413	0.3
182.04573	0.3
183.13992	0.2
191.00726	0.3
209.11787	0.3
235.09729	0.5
269.13947	0.3
297.11163	0.2
312.13632	0.4
327.18091	5.5
328.18326	0.3
341.10129	0.4
345.19141	12.1
346.19339	0.5
349.62152	0.2
356.12607	42.4
357.12906	2.2
371.14941	100.0
372.15280	5.7
372.20065	0.3
387.20193	15.5
388.20474	0.5
423.62357	0.3
431.19247	0.8
530.34802	0.2
629.22247	0.4
804.38342	0.3
855.30322	0.4
885.60370	0.2
894.92072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5843
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99281	0.7
73.02942	6.7
75.00875	0.5
81.03431	0.3
83.01391	3.6
84.02168	0.3
85.02946	12.9
86.00110	0.3
87.00870	1.1
89.02444	2.6
95.01379	2.7
97.02927	0.9
99.00272	0.5
99.00876	5.0
101.02437	14.9
111.00880	0.3
113.02445	11.6
119.03480	1.0
125.02434	1.0
129.01958	0.4
135.04555	0.3
143.03514	1.4
159.02966	2.4
161.02406	0.7
161.04539	10.6
161.05891	0.5
179.03441	0.4
203.05582	0.4
205.03508	0.3
213.14972	0.8
315.18094	25.3
316.18396	0.9
357.19147	28.3
358.19598	1.5
359.16937	0.5
401.18109	4.3
402.18091	0.3
409.30847	0.4
487.34247	100.0
488.34610	9.3
489.34174	0.8
557.38147	0.3
649.39453	1.0
753.41522	0.3
784.19226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.401
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01380	32.2
84.01707	0.7
85.02939	0.2
89.02438	0.3
93.03445	0.5
98.20688	0.2
108.02145	0.2
109.02942	0.4
119.05058	0.1
121.02071	0.2
121.02947	5.2
122.03736	7.5
123.00885	0.3
123.04533	3.5
124.01675	0.3
133.02876	0.2
135.04529	0.5
135.06483	0.2
136.01613	0.3
136.05292	2.0
137.02431	0.5
137.06075	6.3
138.06383	0.3
146.03716	0.3
147.04518	3.8
147.79143	0.2
148.04884	0.2
149.04910	0.3
149.06068	5.0
149.07271	0.3
150.06393	0.2
153.70219	0.1
154.02687	0.5
161.02425	0.7
161.06059	1.4
162.06903	0.9
168.04274	0.5
175.04039	0.2
175.07732	0.2
177.05580	0.2
191.07132	0.6
204.04240	0.2
205.05092	0.3
206.05876	0.3
207.06609	0.2
209.08188	2.4
221.06119	0.2
221.08179	4.1
222.08627	0.2
268.35968	0.2
281.11942	0.1
283.09918	0.2
295.13382	0.3
298.12119	1.0
307.73508	0.2
313.14383	2.1
342.06848	0.3
342.11044	6.0
343.11420	0.5
353.12405	0.7
357.13391	100.0
358.13727	10.2
359.13962	2.0
377.21957	0.2
413.21902	0.4
435.80121	0.1
501.17715	0.6
561.19720	9.5
562.19904	1.2
563.20404	0.3
925.59430	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	53.7
83.59518	0.1
84.01721	0.5
85.02932	0.1
93.03454	1.2
99.00873	0.1
101.02425	0.1
108.50142	0.1
113.02425	0.2
121.02941	16.2
122.03182	0.1
122.03722	0.4
123.00881	2.6
131.04967	0.1
135.04649	0.1
136.05284	21.2
137.05971	0.8
138.03220	1.2
142.38527	0.1
143.04984	0.1
146.03723	0.1
146.06247	0.1
147.04538	0.7
149.06094	0.1
151.07800	0.2
161.02379	0.1
161.04552	0.3
161.06064	0.5
168.04259	5.2
169.04539	0.1
175.07587	0.1
176.08342	0.2
191.07146	0.1
195.06554	0.2
205.05048	0.1
209.08186	0.5
219.06622	0.1
221.42268	0.1
235.09700	1.9
295.13562	0.4
297.11295	0.1
312.13593	0.7
327.15970	0.1
356.12598	7.4
357.13071	0.4
357.16965	0.1
371.14926	100.0
372.15262	6.3
695.40216	0.1
835.36816	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	1067.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00875	1.0
83.01382	9.4
85.02944	22.1
86.00079	1.3
87.00880	3.0
89.02441	27.6
94.39120	0.4
95.01375	5.0
97.02917	1.2
99.00879	4.4
101.02438	48.8
106.78392	0.4
107.05036	0.5
109.06581	0.8
111.00879	0.7
111.04500	1.3
113.02445	32.3
114.02779	0.5
115.03896	0.4
119.03503	13.5
125.02441	2.0
125.77844	0.5
129.01993	0.6
131.03473	2.9
133.02924	2.5
134.03299	0.6
135.04483	0.5
143.03513	6.2
149.04529	4.6
157.08675	6.9
159.02968	1.9
161.02521	5.6
161.04547	25.3
162.02794	1.6
179.03384	0.7
179.05598	11.7
180.06078	0.5
185.11790	1.3
211.13503	0.4
221.06583	2.6
271.02390	0.6
300.02728	1.3
301.03329	0.7
303.18115	0.8
313.12827	0.6
313.16553	15.5
319.13947	100.0
320.14368	4.4
329.15979	5.4
331.17590	16.8
332.17944	0.9
347.17072	68.4
348.17444	3.1
373.18628	53.6
374.19012	3.9
404.00784	0.5
436.11887	0.5
460.99249	0.4
477.08698	0.5
607.20172	2.0
608.21051	2.0
609.13824	1.4
609.21027	1.6
649.30719	38.8
650.30853	4.4
671.51843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05524	0.2
79.75735	0.1
81.03445	0.5
83.01382	2.1
83.05013	0.1
85.02940	2.2
86.00002	0.1
87.00866	0.5
89.02431	1.2
91.05522	0.4
93.03448	4.4
93.07101	0.4
95.01391	0.4
95.05016	2.4
97.02901	0.3
97.06585	0.1
98.20662	0.1
99.00872	1.5
101.02430	3.3
103.05526	1.1
106.04226	1.3
107.05014	0.8
109.02948	0.2
109.06583	1.0
111.00877	0.4
111.08135	0.6
113.02443	2.5
113.06064	0.5
119.03506	0.5
119.05022	3.3
121.02974	0.8
121.06588	14.7
122.03739	0.3
122.06907	0.5
123.04509	0.2
123.08140	0.7
125.06095	0.2
127.07616	1.5
130.05548	0.1
133.06613	0.3
135.04553	0.3
135.08121	0.3
137.06075	1.9
139.04002	36.5
139.07574	0.7
139.11288	3.6
140.04353	0.7
145.06546	0.2
147.04514	0.6
151.07582	0.2
155.07095	1.0
159.02917	0.3
161.04544	1.0
161.05951	0.2
163.03952	0.2
163.07619	0.8
163.57207	0.2
165.05554	18.8
165.09262	0.4
166.05905	0.5
175.53363	0.1
179.07100	0.2
181.05060	0.4
181.08661	0.2
181.12228	0.1
183.06610	16.7
183.10208	6.3
184.06914	0.3
184.10683	0.3
189.50839	0.1
194.06259	0.1
197.11783	1.3
207.06595	0.5
209.04532	21.5
210.04909	0.6
221.08168	0.3
225.07724	0.3
225.11266	1.6
227.05588	1.6
288.13266	0.1
301.12897	0.5
324.54071	0.1
327.10800	2.5
342.10861	0.1
345.11856	9.5
346.12180	0.5
357.13403	5.2
357.17944	0.2
358.13782	0.3
371.09650	0.8
389.10864	4.8
397.99066	0.1
511.21783	25.0
512.22266	1.7
519.18573	0.8
555.20740	100.0
556.21112	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	108.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99051	0.8
54.93339	0.8
55.20431	0.8
62.89161	0.8
70.36018	3.0
98.20026	1.0
108.02169	100.0
109.02371	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	108.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40288	1.1
55.65253	1.1
63.62117	1.3
72.27897	1.4
107.16589	1.2
108.02167	100.0
109.02439	5.3
124.81215	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01387	0.5
91.01903	0.2
93.03455	0.1
107.01375	1.4
108.02161	0.5
109.02962	0.6
109.03603	0.1
119.35226	0.1
121.02953	1.1
124.01641	0.2
125.02422	0.1
133.02943	0.4
135.00902	0.4
135.04526	0.3
137.31314	0.1
148.01633	0.6
149.02385	0.3
151.00354	6.3
152.00798	0.2
153.01920	0.1
159.04514	0.1
161.02455	0.7
163.00375	1.4
163.03978	0.2
164.01122	0.3
169.01425	0.3
171.04512	0.1
178.99846	3.2
179.03464	0.3
183.04488	0.3
187.03987	0.3
190.99899	0.2
193.01402	0.2
199.04033	0.3
201.02011	0.2
201.05431	0.1
203.03560	0.3
211.03966	0.6
213.01895	0.1
215.03484	0.3
216.04312	0.3
218.45709	0.1
221.04498	0.1
226.02718	0.8
227.03482	1.7
228.04068	0.2
229.05054	0.4
239.03528	0.2
243.02953	5.3
244.03537	0.4
245.04468	0.7
254.02209	1.3
255.02956	15.3
256.03461	0.8
257.04712	0.1
271.02448	32.8
272.02921	2.0
273.04013	0.6
283.02365	0.7
299.01944	0.9
300.02713	63.9
301.03448	23.9
302.03687	1.0
343.04648	0.6
471.14990	0.8
609.14532	100.0
610.14856	9.0
611.15436	0.3
677.53699	0.1
695.87256	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	1087.292
Annotation	Unknow
Peak:m/z	Relative Intensity
78.30357	0.1
83.01395	0.6
85.02954	0.6
87.00869	0.7
87.04536	0.2
89.02444	0.7
89.03964	0.2
91.01897	0.2
93.03441	0.2
93.07009	0.1
95.05060	0.2
101.02443	1.3
103.04055	0.3
105.03469	0.6
107.01377	1.5
107.05020	0.2
107.16819	0.1
108.02143	0.7
108.16547	0.1
109.02919	0.7
113.02433	0.4
115.01859	0.2
115.04008	0.6
117.03460	0.4
119.01376	0.3
119.03509	0.2
121.02944	1.2
123.04532	0.6
125.02459	0.4
131.03491	0.6
132.02156	2.3
133.02951	24.5
134.03807	0.7
135.00888	0.4
135.04520	13.5
136.04825	0.2
143.03514	1.0
145.05023	0.2
146.54501	0.2
148.01674	0.5
150.03191	0.2
151.00359	6.1
152.00957	0.2
153.05589	0.5
156.38922	0.1
159.04488	0.3
160.01573	0.2
160.78674	0.1
161.02432	66.3
162.02748	2.0
163.00368	1.3
163.04062	0.3
163.06090	0.3
164.01065	0.2
169.01410	0.2
175.03989	0.3
177.05388	0.2
178.99886	3.1
179.03484	7.9
183.04553	0.2
184.81558	0.2
187.03955	0.3
189.45732	0.2
192.00580	0.3
193.01256	0.2
199.04021	0.3
201.05571	0.3
203.03485	0.3
205.07127	1.4
211.04001	0.5
215.03571	0.3
216.04324	0.4
226.02650	0.9
227.03426	1.6
229.04964	0.4
239.03365	0.2
243.02951	5.7
244.03499	0.5
245.04514	0.8
254.02232	1.4
255.02965	15.5
256.03378	0.8
257.04706	0.2
271.02451	31.4
272.02921	2.2
273.03891	0.6
283.02420	0.6
299.01929	1.0
300.02722	52.8
301.03458	21.8
302.03918	0.9
315.10849	0.3
343.04819	0.2
435.09494	0.9
443.15442	0.7
461.16760	3.1
462.16931	0.2
463.08786	49.4
464.08987	3.0
465.09390	0.2
562.31458	0.2
609.15009	0.3
621.18732	0.2
622.18823	0.3
623.19757	100.0
624.20074	8.0
653.21143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
81.65749	0.1
83.01382	29.9
84.01716	0.3
84.02174	0.1
85.02934	0.2
93.03452	0.5
95.04971	0.1
101.02434	0.1
108.02185	0.2
109.02960	0.4
111.00962	0.1
113.02398	0.1
119.05011	0.1
121.02949	5.5
122.03735	8.1
123.00874	0.3
123.04523	3.8
124.01642	0.3
124.04917	0.1
128.66296	0.1
133.02939	0.3
134.03790	0.1
135.04489	0.5
136.01636	0.4
136.05290	2.0
137.02472	0.6
137.06079	6.4
138.06422	0.1
145.02960	0.1
146.03764	0.2
147.03363	0.2
147.04514	3.7
149.06082	0.3
151.03929	0.2
153.03587	0.1
154.02730	0.6
161.02435	0.9
161.06071	1.6
162.06850	0.9
164.04707	0.1
168.04253	0.4
175.03976	0.2
175.07532	0.2
176.04753	0.2
177.05644	0.2
179.03470	0.1
191.07042	0.5
193.05072	0.1
195.06689	0.2
203.03401	0.1
204.04208	0.2
205.05002	0.3
206.05775	0.4
209.08177	2.4
219.06587	0.2
221.08170	4.2
222.08485	0.2
235.06004	0.2
235.09702	0.2
283.09836	0.2
295.13382	0.3
298.12064	1.1
313.14438	2.1
314.14761	0.1
342.11041	6.1
343.11508	0.2
357.13394	100.0
358.13733	6.1
377.21985	0.2
501.17725	2.1
502.17874	0.2
519.18518	0.6
561.19696	10.7
562.19885	0.9
621.18097	0.1
697.22180	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	1099.401
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01438	0.2
84.02184	0.2
85.02947	1.5
87.00858	0.3
89.02425	0.2
93.03460	0.7
95.01387	0.4
99.00889	0.3
101.02429	1.7
107.05006	0.2
108.02173	1.1
109.02958	1.0
113.02455	1.1
113.20485	0.2
117.03479	0.4
121.02949	2.8
121.03750	0.2
122.03770	1.2
122.76836	0.2
123.00876	0.3
123.04549	0.8
124.01669	0.3
124.94364	0.1
125.02420	0.1
132.02161	0.5
133.02946	6.3
134.03831	0.8
135.04507	3.6
136.01654	39.7
137.02390	1.8
138.03233	0.2
143.03510	0.3
145.02879	0.2
145.06296	0.2
146.03752	0.2
147.04463	0.3
149.02399	0.2
149.06099	0.5
150.03235	0.2
151.03996	60.1
152.04329	1.2
158.03731	0.5
159.03027	0.4
159.04504	0.6
160.05246	0.9
161.02435	16.3
161.04474	4.2
162.03088	0.8
163.04012	1.7
173.06059	0.4
175.03954	0.9
175.07634	0.9
175.08896	0.2
176.04764	0.3
177.05568	1.0
179.03459	2.7
181.05067	0.3
185.11823	0.3
187.03859	0.2
189.05592	0.4
190.06276	0.2
193.05093	0.2
202.35019	0.2
203.03477	0.8
205.05171	0.2
211.16403	0.2
221.04568	0.2
241.05109	0.2
256.07367	0.3
266.05807	0.3
266.09171	0.2
267.06610	0.6
281.08325	1.1
282.08835	1.2
296.10529	1.3
297.11246	2.5
303.19562	0.2
311.12961	0.5
315.10828	0.4
327.08902	0.3
327.12360	0.6
331.19049	0.4
341.08585	0.2
342.11057	8.1
343.11472	0.6
357.13391	100.0
358.13721	6.5
417.15482	0.5
461.16675	0.3
475.12225	1.4
477.14014	3.5
478.14520	0.3
487.14673	0.4
519.18805	1.5
577.23322	0.2
621.18134	1.6
622.18890	0.3
623.19751	10.6
624.19824	1.0
686.14624	0.2
786.51489	0.2
844.87732	0.2
869.43378	0.2
1100.28662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
161.02393	0.2
362.20709	0.1
423.14127	0.2
437.12366	0.4
438.13110	0.6
450.13428	0.2
451.14020	0.7
452.14819	2.0
453.15146	0.2
453.33783	0.3
465.11420	0.1
465.15573	0.5
466.16666	0.7
467.17001	0.2
469.11301	0.3
471.34760	0.4
472.35172	0.2
477.15314	0.2
479.18262	0.7
480.14639	0.6
481.14948	6.7
482.15668	0.9
483.20523	0.2
484.13943	0.5
493.15442	1.6
494.16058	0.9
495.16736	11.9
496.17105	1.7
497.16830	0.2
498.15869	0.3
502.14438	0.2
503.14108	0.2
505.17551	0.1
507.16214	0.9
508.17941	1.9
509.18463	0.9
512.13055	1.6
513.14050	0.2
518.15820	0.2
521.14081	0.8
522.15643	0.5
523.16510	0.6
523.19702	0.7
524.16925	0.2
525.14038	0.2
526.14752	0.9
533.18201	0.8
534.18652	0.2
535.16229	2.3
536.16974	2.4
537.17450	0.3
539.15558	0.8
540.16766	3.2
541.16711	0.4
549.17712	0.2
550.14832	0.2
551.19336	42.7
552.19586	5.3
553.18182	0.8
554.18341	2.0
555.18762	1.1
556.19281	0.1
567.18701	0.6
568.15411	0.7
572.15436	3.6
573.15857	0.5
583.21997	0.5
586.17010	4.3
587.17328	0.5
595.18518	1.8
600.18457	0.3
627.20911	100.0
628.21191	14.1
629.21179	1.1
1001.60852	0.1
1099.56653	1.4
1100.56677	0.2
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	2-Furoate
Peak:m/z	Relative Intensity
51.61502	3.1
55.01875	25.8
62.86709	3.4
67.01884	50.4
69.81117	15.2
71.01383	4.3
71.01981	3.9
74.65787	3.3
78.95901	87.6
81.03473	3.5
83.01389	89.2
83.81715	4.1
98.20560	6.8
105.26299	3.4
110.97569	6.8
111.00880	100.0
111.02083	4.8
111.04497	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	1115.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03458	0.4
83.01381	0.8
83.05004	0.2
85.02948	1.8
87.00877	0.4
87.04513	0.2
89.02437	1.2
91.05531	0.5
93.01807	0.1
93.03451	3.7
95.01381	0.2
95.05020	2.4
97.02982	0.2
99.00869	1.7
99.88101	0.1
101.02433	2.7
103.05541	1.1
106.04232	1.3
107.05017	0.6
109.02981	0.1
109.06594	0.3
111.00897	0.3
113.02453	2.0
113.03169	0.2
119.03511	0.3
119.05016	3.0
121.02962	0.4
121.06588	14.1
122.06928	0.5
123.04495	0.1
123.08109	0.2
125.02435	0.3
132.66557	0.1
133.06578	0.3
135.04529	0.2
135.08208	0.1
135.11780	0.2
137.06096	0.7
137.59576	0.1
139.04002	36.5
139.07538	0.7
139.11290	0.3
140.04329	0.8
141.12801	0.8
143.03456	0.2
145.06567	0.2
147.04541	0.7
159.03030	0.2
161.02463	0.2
161.04530	0.8
161.05920	0.2
163.07622	0.6
165.05554	17.6
165.12807	0.3
166.05898	0.5
171.13905	1.3
179.07069	0.2
181.05032	0.3
181.12331	0.2
183.06606	15.3
184.06966	0.3
185.11809	13.0
186.12141	0.5
199.13365	3.5
207.06621	0.4
209.04529	19.5
209.11766	0.7
210.04883	0.7
225.07579	0.4
227.05591	1.7
227.12886	2.7
301.12784	0.4
313.63287	0.1
327.10794	1.9
345.11856	7.6
346.12183	0.5
371.09741	0.5
389.10870	2.6
417.17441	0.3
513.23352	18.0
514.23730	1.5
557.22314	100.0
558.22650	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	1125.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	5.4
84.02145	0.1
85.02970	0.3
88.94849	0.1
93.03460	0.4
95.01398	0.2
101.02434	0.1
108.02177	1.0
109.02946	1.1
111.00877	0.2
112.89758	0.1
117.03475	0.2
119.04965	0.1
121.02945	3.5
121.60702	0.1
122.03743	3.0
123.00890	0.8
123.04537	0.9
124.01677	0.6
133.02940	0.4
134.03755	0.7
135.04521	0.7
136.01656	40.0
137.02490	2.9
137.06082	1.0
138.03227	0.4
145.06642	0.2
146.03764	0.1
147.04486	0.8
147.57713	0.1
149.02449	0.2
149.06067	0.3
150.03221	0.2
151.03999	45.2
152.04332	1.0
153.01907	0.2
154.02696	0.4
158.03729	0.1
159.04541	0.7
160.05281	0.7
161.02419	0.9
161.04666	0.1
161.06023	0.5
162.03229	1.1
162.06883	0.2
163.04008	2.9
164.04767	0.2
165.01961	0.1
168.04254	0.1
173.06076	0.2
175.03986	0.9
175.07623	0.9
176.04771	0.3
177.01944	0.2
177.05565	1.3
179.03485	1.2
180.04109	0.1
183.06696	0.1
187.04033	0.2
188.04829	0.2
189.05562	0.4
190.06348	0.2
191.07162	0.1
193.05038	0.4
205.05081	0.1
209.08076	0.4
221.08185	0.7
241.04984	0.3
242.50516	0.1
256.07462	0.2
257.08380	0.1
266.05966	0.1
267.06570	0.2
281.08203	0.2
282.08990	0.2
283.09653	0.1
296.10516	0.3
297.07593	0.2
297.11273	0.3
298.11880	0.2
311.09720	0.1
311.12900	0.4
312.09848	0.1
313.14505	0.2
327.08704	0.5
327.12399	0.2
341.10342	0.1
342.11047	15.1
343.11490	1.0
357.13394	100.0
358.13721	6.0
399.14810	0.2
501.17752	0.6
519.18652	1.2
520.19128	0.1
538.72937	0.1
555.21014	0.1
561.19763	0.2
622.27014	0.1
743.24823	0.1
940.55121	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	1127.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	0.2
85.02963	0.6
86.73846	0.2
86.78579	0.2
87.00874	0.4
87.79029	0.2
89.02440	0.6
89.03966	0.4
93.03451	0.5
95.01360	0.3
97.02959	0.3
99.00893	0.3
101.02452	1.6
103.04027	0.5
104.02705	0.2
105.03479	0.9
107.05011	0.3
108.02224	0.4
109.02943	2.3
109.74390	0.2
111.00838	0.5
117.03458	0.6
119.03480	0.4
121.02976	0.6
122.03751	0.3
123.04515	5.9
125.02421	0.4
132.02174	2.7
133.02951	33.8
134.03819	1.5
135.04517	27.5
136.04849	0.9
136.39171	0.2
137.02425	0.6
139.04054	0.4
143.03477	0.4
145.05066	0.3
146.53810	0.2
147.04523	0.7
148.05293	0.5
149.02470	1.3
149.06097	2.0
150.03223	5.8
151.03998	12.6
152.04352	0.4
160.01637	0.3
161.02429	89.2
162.02768	3.6
163.03984	0.4
163.06122	0.5
175.03978	2.5
177.05550	3.9
179.03484	23.0
180.03810	0.9
189.05560	0.7
193.05064	0.8
203.03493	10.4
204.03799	0.4
207.06540	0.4
215.03572	0.3
221.04521	3.0
233.04564	1.0
245.04498	0.2
251.05556	0.4
255.02933	0.5
271.02429	1.0
300.02795	1.8
301.03339	0.6
367.10156	0.3
369.18967	0.2
389.10907	0.6
397.11093	0.4
427.12445	0.9
429.21399	0.3
441.13879	0.3
459.15018	0.6
469.13406	0.7
487.14539	3.5
488.14807	0.4
505.11774	0.4
609.14624	3.3
610.14905	0.4
621.18195	32.0
622.18469	3.4
623.18976	0.4
651.19153	0.2
653.20801	100.0
654.21155	11.1
655.21356	1.3
678.82715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01375	0.4
85.02935	1.4
93.03448	2.1
99.00868	0.5
101.02441	2.6
109.02917	0.5
113.02420	2.1
117.03463	0.2
117.93220	0.2
121.02949	24.3
122.03684	0.9
125.02392	0.3
130.72412	0.2
135.04510	2.0
136.01657	0.7
137.02408	0.5
137.21646	0.2
143.03421	0.4
147.04543	0.4
151.03966	1.1
159.02895	0.6
161.02428	0.6
161.04549	7.2
162.03252	0.3
163.04002	1.1
164.04745	0.3
175.03967	0.4
177.05466	0.4
179.03442	0.5
193.55356	0.2
205.16745	0.3
209.43086	0.2
221.06670	0.4
255.06367	0.3
256.07333	0.2
341.10098	0.5
356.12601	52.1
357.12918	3.8
371.14935	100.0
372.15222	6.7
406.18106	0.3
533.20172	0.9
593.22021	1.3
711.20740	0.2
934.84863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.433
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05526	5.6
80.02682	0.7
81.03453	7.6
83.01381	3.9
84.02168	0.5
85.02948	17.3
87.00866	6.8
89.02439	87.9
90.02808	0.7
93.03456	1.4
93.07093	2.0
95.01393	7.1
95.05033	6.3
96.95986	0.5
97.02950	1.0
99.00883	0.5
99.04515	19.0
101.02438	58.7
105.07101	0.9
106.04240	3.6
107.03477	0.9
107.05024	12.0
111.04494	0.7
112.86645	0.5
113.02445	40.8
113.06086	5.2
119.03497	50.7
119.04999	2.3
120.05795	1.5
121.02944	1.6
123.04545	0.7
125.02440	2.1
125.03289	0.6
125.06067	1.2
129.07106	0.8
131.03493	7.3
131.04970	0.8
133.02939	2.2
133.06601	0.6
135.04533	3.2
136.17094	0.5
139.07654	7.2
143.03491	16.1
143.08684	1.0
145.06587	1.0
145.10211	1.1
149.02567	2.8
149.04546	6.8
151.04048	0.7
154.81027	0.5
157.06633	2.7
157.10147	0.6
159.08176	1.4
159.11790	4.3
161.02548	4.0
161.04541	18.9
161.05901	1.1
161.09724	1.5
163.04004	1.0
165.09227	0.7
169.10214	3.4
170.07344	0.5
171.08185	2.6
172.08919	2.0
179.05597	76.3
180.05978	1.9
185.09715	3.5
187.11272	80.2
188.11598	3.4
191.05565	0.8
203.10806	0.7
205.12370	0.7
219.13892	23.5
220.14159	0.9
229.12291	0.8
231.10254	8.6
249.11301	2.9
263.12854	100.0
264.13214	5.1
371.14703	0.7
411.16592	3.7
443.19177	89.5
444.19458	6.2
621.18329	1.3
776.73138	0.6
1127.40417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0244
Annotation	19322-27-1
Peak:m/z	Relative Intensity
55.01865	7.1
57.03200	2.5
57.03447	31.6
67.66330	1.9
68.99567	50.1
69.03444	15.4
71.01366	7.2
71.50691	3.6
72.00900	2.9
83.01372	5.3
84.02155	14.8
85.02941	100.0
86.02456	3.0
86.03245	1.8
95.01368	4.6
103.85809	1.7
112.98648	2.6
113.02439	32.4
114.01939	3.0
114.05599	28.0
124.90508	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	1131.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01369	0.2
85.02943	0.8
87.00869	0.7
89.02439	1.0
89.03951	0.3
93.03414	0.2
95.01410	0.2
101.02416	1.4
102.70736	0.1
103.03982	0.3
104.02723	0.4
104.65321	0.2
104.76235	0.1
105.03410	0.9
107.05043	0.4
108.02181	0.5
109.02943	0.7
113.02439	0.8
115.01897	0.3
115.03992	0.5
117.03469	0.9
119.03477	0.3
121.02952	0.3
123.04522	2.8
125.02410	0.3
131.03555	0.8
132.02167	3.6
133.02948	39.9
134.03598	1.1
135.04515	23.0
136.04837	0.7
137.02396	0.3
143.03516	0.8
147.04552	0.3
149.02423	0.2
149.06059	0.6
150.03215	2.2
151.04005	3.2
152.01143	0.7
153.01869	0.2
153.05569	0.6
160.01640	0.3
161.02428	100.0
162.02763	2.9
163.06165	0.4
173.06154	0.1
175.03979	0.7
177.05519	1.0
178.02812	0.2
179.03481	14.7
180.03836	0.6
189.05525	0.4
191.05576	0.2
203.03487	3.5
205.07089	1.1
221.04520	0.7
233.04489	0.3
251.05551	0.4
281.06586	0.5
315.07233	0.6
315.10892	0.4
323.07672	0.7
338.65155	0.2
341.08755	1.5
378.29770	0.2
443.15530	0.7
461.16589	2.8
462.16949	0.2
475.12415	13.7
476.12625	1.2
477.10239	1.6
507.15018	21.0
508.15259	1.4
583.61298	0.2
621.18396	0.6
622.18427	0.5
623.19745	76.4
624.20026	7.5
625.20917	0.2
653.21100	0.4
654.21252	0.6
655.21326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	21.1
84.01690	0.5
85.02946	9.1
87.00852	0.8
89.02443	5.1
93.03448	4.8
94.03757	0.4
95.01395	2.2
95.05018	4.7
96.96058	0.4
97.02959	0.9
99.00864	2.6
101.02440	15.1
102.02814	0.6
105.03456	1.9
111.00891	0.4
113.02441	8.3
114.02798	0.7
119.03486	2.0
119.05029	2.0
121.02953	28.1
122.03307	0.7
123.00872	1.0
123.04509	1.6
131.03525	0.4
133.02951	1.3
135.04523	1.8
136.05295	5.5
137.09706	1.1
138.03238	0.7
139.03989	0.7
139.11252	0.4
143.03485	1.7
147.04564	0.5
149.02432	100.0
150.02785	3.7
151.03995	0.9
155.04976	0.4
159.02985	1.5
161.02493	2.6
161.04555	6.3
163.04027	1.5
165.05608	0.5
168.04251	2.3
179.03447	0.8
179.05568	0.5
189.12912	0.5
191.05679	0.5
200.07170	0.3
203.05692	0.4
209.15485	1.4
211.17033	1.2
221.06616	0.5
225.54778	0.4
227.01358	0.3
235.09848	0.5
247.63063	0.3
263.13043	0.5
275.72253	0.4
312.13586	0.4
355.21179	9.6
356.12674	2.6
356.21545	0.8
357.13315	0.4
371.14978	30.2
371.20242	1.2
372.15323	3.3
372.20535	0.7
373.22272	21.4
374.22650	1.4
413.21756	2.6
414.22202	1.1
415.23349	44.2
416.23602	3.6
478.25449	0.4
494.20511	0.4
699.32495	1.8
753.13312	0.4
785.15729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0193
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01867	0.6
56.87939	0.5
59.01364	0.8
62.86712	0.6
70.91615	1.2
71.01369	0.8
73.02942	100.0
74.03287	2.4
75.00893	0.8
77.34010	0.5
99.00874	7.6
116.92828	0.6
117.01929	15.8
138.02798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
59.01374	1.1
66.89318	0.5
69.55581	1.5
69.55985	1.2
71.01361	0.5
71.05013	0.8
73.02943	100.0
74.03285	2.6
98.19847	0.8
99.00881	9.3
99.92567	1.6
100.01251	0.6
116.92857	5.0
117.01102	0.8
117.01938	16.1
117.92892	0.6
118.02278	0.7
118.11303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1177.777
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05042	0.1
85.02945	0.1
87.00856	0.1
89.02449	0.1
93.03429	0.1
97.02945	0.3
99.00858	0.1
101.02431	0.5
109.06587	1.6
113.02462	0.2
115.90469	0.1
119.03497	0.1
121.06588	0.1
124.81993	0.1
129.01868	0.1
135.08160	0.2
136.05305	0.1
142.02687	0.1
145.05051	0.1
161.04546	0.2
161.09686	0.1
163.11269	1.0
164.11577	0.1
174.36415	0.1
177.05356	0.1
179.05562	0.1
181.12285	0.1
187.48079	0.1
189.09148	0.6
207.10236	8.5
208.10583	0.3
209.11781	0.2
225.11288	2.3
226.11615	0.1
235.08208	1.3
253.09222	1.9
255.23338	0.1
263.12640	0.1
277.21689	16.6
278.22012	1.0
281.13852	0.1
299.15018	0.1
342.13098	0.1
411.32150	0.1
423.32837	0.1
425.18060	0.1
441.34134	0.2
442.51260	0.1
443.19171	1.2
455.35248	100.0
456.35587	10.8
461.20169	0.7
467.31308	0.1
513.30664	1.3
514.30707	0.1
539.66479	0.1
703.40576	1.3
704.40814	0.1
721.41608	11.3
722.41956	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	119.035
Annotation	D-Threose
Peak:m/z	Relative Intensity
50.61354	3.7
50.84586	3.9
51.82771	3.9
52.08299	3.5
55.01870	11.7
56.81630	4.2
57.12924	4.3
58.00595	7.9
59.01377	100.0
61.00348	4.1
64.33387	3.9
66.68018	3.6
67.57587	3.8
68.36381	3.9
71.01379	66.1
72.99302	58.6
73.02950	15.3
75.00869	17.3
84.03036	4.0
101.02451	6.8
116.83601	5.1
119.03494	67.0
121.15344	5.3
139.18561	4.2
139.41496	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	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
51.02908	0.8
59.01365	3.7
69.23430	6.8
69.33735	0.7
71.01382	2.7
72.99287	2.1
73.02946	1.0
74.86568	0.7
78.98607	0.8
91.05544	1.0
93.03452	2.0
96.59922	0.8
101.92411	0.9
118.92644	3.9
119.05022	100.0
120.05319	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	121.0659
Annotation	3-Ethylphenol
Peak:m/z	Relative Intensity
56.61110	2.6
65.03958	100.0
65.65685	2.8
69.23563	2.5
69.48951	8.7
69.49376	8.8
91.05534	3.7
93.03458	8.2
94.02990	3.5
103.05523	3.7
106.04243	10.6
107.46412	2.6
119.05022	17.0
120.41312	2.8
121.02956	41.0
121.06606	17.6
122.02450	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	121.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61740	1.2
61.71276	1.2
65.03961	69.7
65.36129	1.6
66.04294	3.1
70.60179	4.0
77.45650	1.3
78.03506	1.5
78.83789	1.6
91.05521	2.7
92.30379	1.3
92.46102	1.6
93.03458	9.0
94.03001	6.8
102.01691	1.2
103.05535	4.9
106.04247	6.8
107.13525	1.3
108.02151	3.1
119.05010	10.2
120.05379	1.3
121.02951	100.0
121.06604	14.3
122.02470	7.2
122.03301	5.6
122.06943	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10687	2.5
59.17725	3.0
60.76215	2.8
62.86692	2.5
65.03957	96.7
67.01843	3.2
71.43214	6.4
91.05494	2.8
93.03452	11.8
94.02979	11.4
103.05568	6.8
106.04224	12.1
108.02195	2.9
114.33073	2.5
119.05022	13.5
121.02953	100.0
121.06557	14.8
122.02490	8.3
122.03265	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	121.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
62.28405	1.1
65.03963	35.6
67.01862	1.3
70.84701	2.0
91.05538	1.3
93.03462	6.6
93.03967	1.3
94.02985	7.5
97.36731	1.3
101.17118	1.0
102.04718	1.1
103.05527	1.8
106.04224	3.5
108.02164	1.9
119.05038	5.6
121.02950	100.0
121.06577	9.2
122.02457	6.5
122.03304	4.6
123.79016	1.4
124.58953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91743	0.4
63.86989	0.4
70.41127	1.4
93.03468	0.4
95.01379	5.5
95.93068	0.3
98.19840	0.4
100.07816	0.4
100.78239	0.3
108.02167	100.0
109.02489	4.5
122.03725	4.2
123.00854	3.4
123.04536	4.0
124.04085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06972	0.5
58.68909	0.4
59.73951	0.5
63.58489	0.4
66.38879	0.4
69.62473	2.7
69.62774	0.6
71.45523	0.4
94.33816	0.4
95.01397	1.3
108.02169	100.0
109.02485	5.3
122.03719	3.1
123.00867	0.9
123.04585	3.0
142.13419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0608
Annotation	Ampelomin A
Peak:m/z	Relative Intensity
55.01872	4.8
55.39675	3.9
58.17785	3.0
69.03450	14.5
71.50626	6.3
71.74365	4.4
81.03481	20.0
83.01391	4.7
93.03441	4.1
95.05029	23.3
96.99315	11.1
97.02949	20.0
97.06589	10.8
107.05009	9.3
108.02168	16.4
110.03726	100.0
110.31723	3.4
123.04521	3.9
124.98798	10.2
125.02427	58.4
125.06064	47.2
142.59000	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	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01881	22.2
57.03449	55.3
59.01382	6.7
67.01888	100.0
67.05513	30.9
68.99809	12.6
69.03445	7.6
71.01385	26.2
71.50938	11.8
72.99299	9.3
73.02945	9.7
75.70189	6.5
79.29892	5.9
83.01368	10.6
85.02940	48.5
85.06569	26.9
87.00892	8.8
87.81789	6.3
88.04041	17.0
88.33504	5.4
99.00896	5.6
99.14125	5.5
101.06077	32.0
111.00857	6.3
129.01950	51.3
129.05600	16.4
130.08731	26.9
146.05690	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	129.0194
Annotation	Mesaconate
Peak:m/z	Relative Intensity
52.52571	4.8
55.01863	18.2
57.03447	47.3
59.01374	10.4
63.77483	5.2
67.01887	100.0
67.05530	50.4
68.99840	7.3
69.03462	14.0
69.65827	36.4
71.01380	28.0
72.99309	5.4
82.79640	5.2
85.02941	56.2
85.06592	59.8
87.00878	8.3
87.04510	6.4
88.04034	15.4
99.04472	5.7
101.02483	7.9
101.06075	50.1
118.96461	5.0
128.90170	8.0
129.01929	41.6
129.05595	31.5
130.08725	10.1
134.75996	5.1
138.52789	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	129.0557
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
55.01871	28.3
57.03436	18.3
59.01363	16.1
68.71785	9.8
68.99796	18.8
69.25414	100.0
71.01370	18.8
73.02946	25.2
77.91151	11.3
85.02934	54.0
85.06583	20.7
101.02407	13.9
107.04295	10.7
113.31606	10.6
113.40224	10.5
128.90138	35.3
129.01918	51.5
129.05554	84.2
129.07585	10.9
130.08722	20.3
135.66016	11.5
143.04333	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	129.0558
Annotation	3-Oxohexanoic acid
Peak:m/z	Relative Intensity
55.01866	15.8
57.03447	10.8
59.01364	9.7
59.50555	5.5
64.40636	4.9
64.87106	5.0
67.01889	11.5
67.05526	100.0
68.99854	5.9
69.03458	28.3
69.35326	5.5
69.65816	28.1
71.01385	10.6
73.02919	8.6
83.05019	12.8
85.02950	38.3
85.06583	82.1
87.00917	6.6
87.04496	11.0
87.36216	6.0
99.04563	8.4
101.02435	14.1
101.06072	72.0
108.98997	5.9
111.04488	7.7
128.90129	24.3
129.01927	25.6
129.05571	56.5
130.08723	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	129.0558
Annotation	(S)-3-Methyl-2-oxopentanoic acid
Peak:m/z	Relative Intensity
53.85626	10.7
55.01865	36.9
57.03434	32.2
60.92672	9.7
61.39495	8.9
70.85238	19.9
71.01377	22.9
72.99281	15.9
73.02926	13.3
83.05029	15.4
84.80110	9.4
85.02940	66.3
85.06586	41.7
86.06076	9.8
86.69669	11.2
88.04041	11.6
101.02446	28.3
109.74853	11.5
128.90154	49.7
129.01921	47.5
129.05588	100.0
130.08714	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38074	0.7
52.37690	0.8
59.71393	0.8
62.25215	0.8
69.71665	3.3
71.01384	1.5
73.02965	4.2
80.40266	0.9
84.08161	0.8
85.02939	1.3
87.04513	3.0
113.06149	0.7
130.08733	100.0
131.09064	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	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01381	1.7
64.67481	1.0
66.59351	1.0
70.56866	1.6
70.57204	1.5
71.01378	67.3
72.01724	1.6
72.99297	15.8
89.02431	7.6
115.00366	100.0
116.00675	2.7
133.01421	29.6
144.95665	1.0
147.03212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.9
70.75429	2.3
70.75764	1.0
71.01377	55.6
72.01704	1.0
72.99310	14.2
81.65670	1.1
82.29453	0.9
87.00869	1.4
89.02438	6.7
115.00362	100.0
116.00707	2.7
133.01413	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68562	0.6
70.98692	2.0
71.01376	57.7
72.01725	1.5
72.99301	12.3
87.00883	2.7
89.02434	6.4
115.00365	100.0
116.00707	2.7
133.01418	29.6
153.48676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0473
Annotation	Adenine
Peak:m/z	Relative Intensity
65.01432	0.6
67.86101	0.4
68.02547	0.6
69.73492	0.8
69.73913	1.2
71.01363	0.8
72.01729	0.4
72.99314	0.8
75.00862	1.8
77.57622	0.4
92.02546	6.9
93.03497	0.6
94.14693	0.4
98.20625	0.7
103.56381	0.4
107.03629	26.5
107.05016	1.1
108.03944	0.7
116.00685	1.6
134.04720	100.0
135.02962	1.2
135.03401	0.5
135.04443	2.4
135.05150	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	136.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71393	5.4
69.46320	21.7
69.46723	14.2
93.03451	94.3
98.19913	11.4
108.02133	8.9
109.02890	5.1
111.19376	5.0
121.02943	15.1
136.01674	11.1
136.04822	6.0
136.86278	20.2
136.89180	19.8
137.01448	10.2
137.02437	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	137.0244
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.45330	2.1
55.01858	1.9
62.36521	2.0
62.83911	1.8
63.30328	1.9
63.80575	2.0
65.03951	8.0
66.16476	2.0
67.01882	9.0
69.46818	2.2
69.99072	4.7
69.99464	3.8
81.03444	25.5
83.01371	3.4
93.03453	48.7
94.02983	2.4
95.01395	9.3
105.73587	1.8
107.01366	3.4
108.02168	30.9
109.02945	80.8
110.03260	4.7
122.51453	2.2
123.03249	6.4
136.01657	2.4
136.86356	2.6
137.02432	100.0
137.06033	11.4
138.01958	6.9
138.02872	4.1
138.05592	9.1
140.01001	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	137.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33714	0.3
65.03955	0.7
67.25137	0.3
69.38944	1.3
69.39363	0.8
77.18363	0.3
81.03452	2.5
81.78065	0.3
91.01901	0.5
93.03456	5.9
95.01460	0.3
108.02171	3.8
109.02967	3.2
119.01391	1.1
122.57292	0.3
136.01660	8.2
136.89166	0.3
137.02444	100.0
137.28239	0.3
137.99619	0.2
138.01863	0.4
138.02791	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	137.0244
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
52.28179	0.2
63.55560	0.3
65.03972	0.4
70.60261	0.8
80.00166	0.3
81.03448	1.7
91.01894	0.4
93.03449	2.9
108.02167	3.8
109.02967	3.3
119.01387	1.0
136.01662	7.3
137.02435	100.0
138.02786	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	137.0244
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.07090	0.4
62.12807	0.3
65.03931	0.8
65.43062	0.4
81.03450	2.5
91.01907	0.7
93.03457	13.6
94.03790	0.8
108.02174	5.9
109.02978	2.8
119.01419	1.1
136.01656	7.7
136.86256	1.5
136.89153	0.8
137.02438	100.0
138.01927	2.9
138.02800	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	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
69.48988	1.3
69.49402	0.6
78.19282	0.3
81.14563	0.2
84.48202	0.2
94.24419	0.2
96.49268	0.2
100.14274	0.2
103.40808	0.3
108.02169	50.4
109.02493	2.6
111.00889	0.3
138.01964	100.0
139.00499	0.3
139.02332	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	139.04
Annotation	(-)-Sarcomycin
Peak:m/z	Relative Intensity
69.77836	100.0
76.57180	18.2
89.68180	21.3
93.03449	30.5
95.05038	29.5
100.36237	22.4
139.03951	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0401
Annotation	(-)-Sarcomycin
Peak:m/z	Relative Intensity
57.53013	30.8
67.47765	32.9
70.57413	82.1
85.60214	32.8
93.03442	57.8
95.05030	95.9
96.36543	35.1
111.00810	44.0
125.26981	31.8
139.03993	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	139.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74615	36.1
71.22092	85.8
71.22442	49.9
84.96577	44.5
93.03418	93.6
95.05021	38.9
111.00829	49.8
115.96777	46.8
135.85355	40.0
139.00356	43.9
139.03999	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	139.0401
Annotation	3-METHOXYCATECHOL
Peak:m/z	Relative Intensity
53.94421	26.4
67.70822	20.9
69.30166	84.8
69.30587	100.0
92.42422	24.0
93.03437	64.2
93.88292	23.3
95.05038	60.2
111.00848	27.5
127.81026	22.1
131.12633	23.0
136.38068	24.4
139.03983	78.7
139.96277	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	139.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79304	11.7
67.01882	15.7
68.94190	11.9
69.24770	100.0
81.27132	12.1
82.50856	11.4
87.71217	12.5
93.03464	37.2
94.38573	11.5
95.05018	35.3
98.19870	20.7
111.00879	56.2
112.52617	12.8
116.27680	13.3
139.00375	24.4
139.04031	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	19.9
55.01890	6.0
59.01372	15.7
68.41895	2.3
68.99799	6.1
69.03450	10.6
69.83791	8.0
69.84193	4.6
71.01376	73.9
72.99303	5.4
73.02944	5.6
80.99818	4.3
81.03444	4.4
82.02983	9.2
83.01391	5.8
85.02943	32.3
87.00871	27.1
96.99297	16.9
97.02944	7.0
98.20593	2.4
99.04513	8.2
104.84777	2.3
112.98817	21.5
115.00386	8.5
124.98800	56.0
125.02405	5.7
126.01984	4.0
134.58475	2.5
140.98282	8.3
142.99852	100.0
143.03505	10.6
144.00310	4.4
144.04546	4.5
144.06613	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	142.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	11.8
54.03908	2.3
55.01872	4.0
59.01376	15.9
68.99818	2.4
69.03437	2.5
69.98666	8.8
71.01007	3.7
71.01379	49.7
72.99313	2.3
73.02900	2.3
80.99811	5.1
82.02975	3.5
83.01369	3.9
85.02934	7.8
87.00868	10.6
96.99307	16.1
97.02986	2.7
99.00888	2.4
109.29137	2.0
112.98804	24.4
113.42268	2.2
115.00352	3.1
124.98802	49.5
125.99165	2.5
140.98322	13.3
142.99847	100.0
143.03534	3.0
144.00180	4.2
144.06636	10.7
150.37944	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	144.0455
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
57.30989	0.3
65.99841	0.4
69.35973	2.4
79.62028	0.3
80.80499	0.3
88.11497	0.3
91.81204	0.3
95.40030	0.4
102.03491	1.0
144.04541	100.0
144.06607	3.7
145.04898	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	145.0142
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
57.03427	7.7
59.01350	4.3
68.32758	2.6
71.01382	39.7
71.50603	4.1
72.70637	2.1
72.99305	2.7
73.02946	11.1
74.02480	4.1
82.02988	3.6
83.01389	5.7
83.03343	3.4
84.04525	6.9
85.02941	2.8
87.00865	4.8
99.00891	14.0
101.02429	49.0
101.07195	3.4
102.05607	100.0
109.04073	4.9
109.49072	3.0
115.00358	10.4
127.00341	5.6
127.05160	11.0
128.03557	48.2
144.68948	2.3
145.01411	10.2
145.06155	9.2
146.04590	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	145.0142
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
53.03360	3.1
53.26336	3.3
57.03448	6.2
59.01365	12.4
63.51091	3.6
65.46723	2.8
70.21458	11.8
70.21794	3.4
71.01366	25.8
72.99309	5.7
73.02940	13.2
73.58559	3.4
74.02470	5.1
79.34090	3.0
82.92347	3.5
83.01382	14.7
84.04545	6.4
87.00876	17.9
99.00868	8.2
101.02444	44.1
102.05602	100.0
102.06268	6.5
109.04108	8.0
115.00336	22.9
127.00384	13.0
127.05145	12.4
128.03534	52.0
145.01434	18.8
145.06209	13.4
146.04581	21.1
152.79018	3.8
163.03094	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	145.087
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
71.01367	0.8
73.02918	0.7
83.01373	1.0
83.05022	5.7
92.89288	0.8
97.06573	1.9
98.19883	1.5
99.08151	100.0
100.08493	3.8
101.06062	1.5
101.09704	2.4
102.05596	1.2
109.06568	1.3
117.03449	11.1
118.03790	1.1
127.07611	2.0
128.07947	0.7
143.07106	2.6
145.02968	6.5
145.05063	1.1
145.06877	1.8
145.08696	56.1
146.02455	3.4
146.09071	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	146.0459
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
59.01362	3.0
70.84667	1.6
74.02498	0.9
84.04553	1.0
85.02950	2.1
102.05603	100.0
103.05936	2.6
115.31889	0.8
128.03535	41.6
129.03877	1.2
146.04584	19.1
146.86638	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	147.0299
Annotation	(S)-2-Methylmalate
Peak:m/z	Relative Intensity
50.03861	1.4
53.13117	1.6
57.03446	17.0
59.01373	12.0
70.49464	1.3
71.01378	11.9
71.27274	1.8
72.99300	6.3
78.95899	1.5
79.07471	1.2
80.35099	1.4
80.48752	1.4
85.02945	69.3
87.00872	100.0
87.25862	1.5
88.01200	3.5
101.02433	5.5
103.04008	10.3
129.01942	20.5
147.01840	3.0
147.02980	37.6
147.06642	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	147.0299
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
57.03450	17.1
59.01374	34.8
70.48668	3.6
70.99493	7.1
71.01376	100.0
72.99306	45.8
75.00875	3.9
85.02937	26.3
87.00404	4.4
87.00872	41.4
95.07866	3.6
99.00865	7.2
101.02464	4.6
103.04034	4.5
106.90744	3.9
112.20314	3.5
124.54697	3.5
129.01987	19.7
147.02989	13.1
147.04527	3.7
147.06580	5.6
151.63426	3.4
169.92697	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	147.0451
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
57.03449	5.6
59.01367	21.7
69.75816	5.0
71.01382	37.2
71.52895	6.6
72.51196	4.9
75.00858	6.4
84.99297	5.7
85.02953	11.8
87.00868	5.3
91.09471	5.3
99.00864	14.2
103.05566	7.7
119.05008	17.5
129.01936	11.7
144.41457	4.7
146.65945	5.2
147.02901	9.9
147.04512	100.0
154.35474	5.2
156.70186	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	147.0451
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.01846	6.4
59.01377	14.1
64.52708	5.8
69.29109	29.7
69.29536	24.2
71.01363	24.7
77.05187	5.6
78.46656	5.8
85.02938	9.9
99.00863	7.5
101.02393	7.5
103.05509	25.0
104.20539	6.0
116.58966	6.1
119.05025	21.2
120.78064	5.8
129.01860	8.3
147.04515	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	149.0093
Annotation	DL-Tartaric acid
Peak:m/z	Relative Intensity
55.01880	6.1
59.01375	39.5
61.43179	4.1
61.88143	3.5
62.07246	3.1
69.63306	17.2
71.01385	20.2
72.99307	81.5
73.02967	18.3
75.00862	4.3
77.85315	3.6
84.93610	3.5
85.02980	3.9
87.00873	100.0
89.02449	55.3
92.95996	7.7
98.19974	7.6
103.00370	17.0
121.02949	14.9
131.03505	16.8
144.59885	3.4
148.86365	13.8
149.00903	67.5
149.02364	14.1
149.04556	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0242
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
55.65366	0.5
57.69564	0.5
59.01374	4.7
71.01378	3.0
73.02929	1.8
77.03949	4.5
87.00880	1.4
89.02428	6.2
93.03452	9.8
94.99279	0.9
95.01359	2.9
95.05017	29.7
95.11440	0.5
96.05347	1.2
105.03439	8.9
106.04270	0.6
111.24694	0.5
121.02945	43.5
122.03265	1.8
123.04516	1.8
131.03496	0.9
134.03720	1.1
139.03946	0.5
148.01656	1.3
149.02425	100.0
149.04485	3.2
149.05888	3.4
150.00133	0.6
150.02759	6.1
161.70276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	L-Xylopyranose
Peak:m/z	Relative Intensity
54.49446	1.4
55.01865	2.5
58.48769	1.5
59.01373	19.0
65.16837	1.4
66.37968	1.5
69.03445	3.7
69.24041	1.6
70.41900	1.6
70.53603	3.7
70.53939	2.7
71.01009	2.6
71.01377	31.3
72.38016	1.6
72.99311	9.6
73.02942	33.4
75.00869	48.1
80.15930	1.3
85.02952	3.0
87.00872	16.5
89.02441	100.0
90.02785	2.6
96.24532	1.5
96.60706	1.7
96.79681	1.7
101.02412	2.5
103.04002	8.9
111.54118	1.5
112.78837	1.4
131.03496	18.4
137.87424	1.6
149.04544	77.0
160.48102	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	L-Arabinose
Peak:m/z	Relative Intensity
50.16875	2.1
55.77434	2.2
59.01373	32.1
69.03433	3.8
69.77875	8.6
71.01379	33.6
72.99305	32.8
73.02944	24.8
75.00867	74.5
78.94000	1.9
85.02954	2.8
87.00873	44.1
89.02438	100.0
90.02747	2.6
98.20609	2.9
103.00356	5.0
103.03996	8.5
114.36119	2.2
121.02946	4.9
129.64496	2.0
131.03513	18.3
148.95218	2.6
149.00941	20.4
149.02585	4.2
149.04547	88.5
150.04890	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	151.04
Annotation	4-Methylsalicylate
Peak:m/z	Relative Intensity
59.01386	0.9
65.03952	2.0
66.03493	0.9
67.01880	1.0
69.03438	0.7
69.46075	3.6
71.01369	1.1
73.02921	0.6
77.03973	0.6
79.05537	1.2
81.03449	2.6
83.24056	0.6
83.24562	0.6
89.02380	0.8
93.03453	6.7
95.01392	4.2
95.04482	0.6
95.04997	3.6
100.27813	0.6
101.02448	0.7
106.04242	3.2
107.01391	4.1
107.05025	100.0
108.02163	6.1
108.05361	4.2
109.02950	0.7
121.02931	2.9
122.03755	5.4
123.00874	6.2
123.03627	1.1
123.04515	17.8
124.01605	0.7
124.04782	1.2
125.02428	1.6
133.02892	0.9
134.03725	2.9
136.01656	24.0
138.03233	0.8
149.02470	0.6
151.00429	1.4
151.03995	42.3
151.07545	1.0
152.04552	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	151.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32411	4.0
50.96658	4.1
56.76082	3.9
69.50785	3.1
71.01382	5.8
71.48638	5.0
85.27480	3.5
93.03443	5.0
105.71516	3.8
108.02171	9.2
111.22443	4.1
119.05368	4.0
121.02940	44.3
121.33098	4.2
122.03759	8.6
123.04503	19.3
136.01660	100.0
145.39363	3.9
146.64487	3.6
151.04005	43.0
152.03470	6.1
157.49440	4.1
159.60579	3.4
167.91252	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	152.0353
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
56.75042	0.2
66.03476	0.3
81.03459	0.2
83.21376	0.2
99.72176	0.2
107.04977	0.3
108.02170	25.3
108.74005	0.2
109.02961	2.4
110.00068	0.2
121.02934	0.7
122.03738	34.3
123.04613	4.0
125.02470	0.3
134.03738	1.2
135.04512	0.7
137.01984	1.2
137.99599	0.5
152.03526	100.0
153.01913	0.8
153.03865	3.6
153.05540	0.5
169.36261	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16673	0.2
64.87899	0.2
65.50644	0.2
66.03474	0.3
69.43979	1.9
73.09756	0.3
73.67972	0.2
78.03492	1.4
81.03459	0.4
104.01400	0.5
106.02979	0.5
107.03771	4.6
107.05001	0.4
108.02166	55.7
109.02949	3.5
109.06586	0.3
110.00076	0.8
121.02950	0.7
122.02416	1.0
122.03729	29.1
123.04543	8.9
123.11060	0.3
125.02431	0.4
134.02444	0.2
134.03757	2.2
135.03558	0.3
135.04526	2.0
137.01979	0.7
137.42355	0.3
137.99571	0.6
152.03523	100.0
153.01962	1.7
153.03853	3.4
153.05562	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0556
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
52.79645	0.2
60.46452	0.2
62.91013	0.2
70.98827	0.4
80.02632	0.3
80.40868	0.2
85.98598	0.2
91.05560	0.3
93.03429	0.2
107.05019	1.2
108.02168	100.0
109.02409	2.3
110.00104	0.9
122.03745	1.4
123.04514	15.1
124.04819	0.4
134.03722	0.3
135.04510	3.5
137.02451	0.5
137.99576	0.3
153.01939	0.9
153.05573	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0557
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
58.33384	0.1
61.41308	0.1
68.97303	0.1
69.64017	0.9
81.03441	0.3
91.05516	0.3
93.03473	0.3
107.05013	1.1
108.02168	100.0
108.77007	0.1
109.02447	2.9
111.04523	0.3
121.02943	0.3
122.03759	1.4
123.04524	16.6
124.04863	0.6
134.03740	0.7
135.04547	3.2
137.02451	0.6
143.83679	0.1
151.50102	0.2
153.05579	3.3
154.05806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0505
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
50.86528	0.3
51.07462	0.3
57.03461	0.4
59.01378	2.5
60.13498	0.3
61.43076	0.3
61.90770	0.3
63.88299	0.3
68.99812	1.0
69.03449	0.6
69.45477	1.1
69.45883	1.2
69.48379	0.3
71.01369	1.7
71.52885	0.3
73.02950	0.4
81.03482	0.3
84.99306	8.5
85.02942	1.3
87.00866	0.6
95.05029	0.6
99.00888	1.8
109.06577	2.2
111.00874	0.4
111.04527	2.5
111.08226	0.4
113.06079	100.0
113.98106	0.3
114.06385	3.0
115.00321	0.5
127.00365	7.0
128.00668	0.4
128.98256	1.6
139.07645	1.0
156.89447	1.2
156.97812	0.6
157.01399	0.8
157.05051	11.7
157.08635	3.7
157.12306	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	157.0869
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
50.82939	0.9
52.33212	1.0
57.14538	1.0
59.01377	17.6
65.81161	0.9
67.05528	1.5
68.99811	1.6
69.03449	2.1
71.01379	14.6
83.04986	1.7
84.16570	1.2
84.99313	12.6
85.02940	1.8
87.00880	1.6
93.52808	1.0
95.05007	1.6
98.20649	3.0
99.00882	4.0
109.06583	10.1
111.04498	3.7
111.07478	0.9
111.08118	5.2
113.06076	2.4
113.09731	2.0
115.00359	1.1
121.06579	2.2
127.00357	13.2
127.07646	44.7
128.07903	1.2
128.98256	2.2
139.07640	28.9
140.07999	1.3
140.32481	1.1
156.89424	1.7
157.01413	2.8
157.08688	100.0
157.12321	4.2
158.09021	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	161.0243
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
57.03440	0.5
59.01108	0.3
59.01378	2.8
65.00327	0.4
69.03459	0.2
69.27399	1.6
71.01372	1.9
72.99292	0.2
73.02935	1.7
75.00864	0.3
77.03968	0.4
79.77511	0.2
81.03458	0.4
83.01392	0.6
85.02952	2.6
87.00851	0.2
89.02435	0.6
89.03957	0.9
95.05016	0.7
98.19892	0.2
99.00845	0.2
99.04549	0.2
101.02420	0.5
101.77088	0.2
105.03458	0.7
113.02442	0.6
117.03460	2.8
123.04522	3.1
131.03511	1.1
133.02950	15.8
134.03304	0.6
161.02429	100.0
162.02791	3.9
177.78209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0455
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
55.01875	0.9
57.03434	2.8
58.32866	0.8
59.01375	20.3
65.73071	0.8
69.03432	0.7
69.77979	0.7
69.82237	2.3
69.82647	1.6
71.01376	12.9
71.05014	32.1
72.99310	1.8
73.02942	10.6
75.00912	1.0
81.03469	1.9
83.01392	4.5
85.02948	21.4
86.98019	0.8
87.00880	2.8
89.02438	4.3
95.01354	1.0
97.02933	1.1
98.20596	1.1
98.35543	0.7
99.03848	0.8
99.04512	39.6
101.02437	100.0
102.02794	1.1
111.28693	0.8
113.02430	4.2
115.03999	1.8
117.05557	6.6
121.20194	0.8
125.02417	0.7
131.03500	9.0
133.02950	4.2
143.03476	10.5
144.03827	0.6
149.65630	0.6
160.89253	0.8
161.02583	5.1
161.04549	50.1
162.04843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0455
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
55.01876	2.9
55.49486	2.1
57.03447	29.9
57.10422	1.5
58.00578	4.1
59.01376	79.3
61.77256	2.2
69.03435	3.5
70.35553	3.9
70.35892	3.3
71.01382	91.3
71.05013	28.5
72.26795	1.9
72.99321	9.6
73.02943	48.6
75.00852	4.1
81.03458	11.1
83.01384	22.5
84.02161	3.5
85.02946	100.0
85.13609	1.7
86.03277	3.3
87.00873	57.1
87.04525	2.2
89.02444	21.4
95.01398	16.0
97.02934	8.6
99.00880	7.5
99.04518	58.5
101.02435	70.0
113.02447	24.7
115.03992	5.6
117.05572	9.6
125.02431	2.1
125.36304	1.7
129.01875	1.8
131.03496	46.1
141.57500	1.9
143.03494	15.9
161.04536	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0763
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
59.01379	0.3
60.27084	0.2
66.43255	0.1
70.65919	0.5
76.37657	0.1
93.03460	0.4
119.05021	7.3
120.05341	0.2
120.83007	0.2
121.02937	1.8
122.03767	0.3
135.00803	0.2
135.04510	0.2
147.04523	2.6
148.05295	100.0
149.05629	3.5
153.55798	0.2
162.83907	1.2
163.00372	0.6
163.03975	1.5
163.07623	4.8
164.98521	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	163.1121
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
59.01338	1.6
61.98822	17.2
65.90348	1.4
69.64586	6.0
73.02947	1.3
116.92081	9.2
117.46937	1.1
118.99229	4.6
119.02534	1.1
119.05014	34.3
120.05334	2.1
144.43169	1.3
155.38417	1.2
163.00343	4.0
163.03970	5.5
163.11273	100.0
164.11636	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	164.0716
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
50.30760	0.5
58.63286	0.7
61.82602	0.5
64.14496	0.5
65.03960	16.3
70.54960	1.2
70.55330	1.2
72.00905	38.6
73.01215	0.7
75.00862	1.0
91.05531	2.4
93.03491	1.0
103.05530	6.8
117.83380	0.6
119.05032	3.7
120.05302	0.9
121.02946	5.0
121.06567	2.5
137.02538	0.6
147.04510	100.0
148.04848	4.7
150.03220	2.5
164.07149	51.8
165.01909	0.6
165.04060	1.1
165.05450	0.8
165.07452	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	165.0193
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
56.43261	0.4
59.01369	0.7
65.03961	20.0
66.53504	0.4
75.00867	3.0
77.03947	1.7
87.00867	0.9
88.05243	0.3
91.01906	0.9
93.03440	2.8
105.01937	0.8
106.04251	0.9
107.05066	0.7
108.02155	0.8
109.02931	1.0
119.05008	2.2
121.02951	100.0
121.06535	3.5
122.03219	2.8
123.04516	1.0
123.71027	0.3
126.33508	0.4
129.01956	0.6
129.03391	0.4
135.04503	0.9
137.02480	2.4
147.04512	1.4
150.03209	4.0
164.89621	0.4
165.01913	10.0
165.04076	1.7
165.05573	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	165.0403
Annotation	D-Ribonate
Peak:m/z	Relative Intensity
55.01883	3.3
57.03436	1.3
59.01376	8.5
59.69424	0.6
65.14089	0.6
65.71709	0.6
66.60547	0.6
70.64748	1.5
71.01382	7.2
72.12833	0.6
72.99302	6.7
73.02918	1.2
75.00867	100.0
85.02950	1.5
87.00868	35.1
89.02469	3.6
98.48230	0.6
99.00874	5.8
101.02435	2.4
105.01928	29.9
111.00876	0.8
114.25761	0.6
117.01923	1.6
127.78638	0.7
129.01939	14.6
133.42993	0.6
135.03067	1.0
147.02965	8.0
150.03238	0.9
165.04027	63.1
166.04323	1.3
171.36090	0.7
176.49284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.7
57.03435	1.8
59.01371	11.4
60.83577	0.5
66.58532	0.5
68.99786	0.6
70.83138	1.2
70.83473	0.8
71.01379	10.0
72.99300	8.5
73.02937	3.3
74.31888	0.5
75.00867	85.0
76.01196	0.8
76.64993	0.5
78.71047	0.5
85.02935	2.9
86.84575	0.7
87.00869	97.2
88.01216	1.7
89.02444	4.1
99.00874	13.0
101.02442	4.6
105.01927	85.0
106.02251	1.1
117.01908	3.5
119.03497	2.0
121.02943	1.5
129.01932	12.7
135.03018	2.7
147.02980	12.7
165.04025	100.0
166.04379	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	165.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	66.1
66.04287	1.3
72.99303	28.1
75.00845	0.9
91.05535	2.3
93.03442	1.1
97.40807	0.7
98.20669	1.9
101.03936	2.2
103.05520	6.1
106.04246	2.0
119.05020	35.5
120.05356	1.0
121.02959	5.7
121.06578	12.3
147.04509	100.0
148.04860	3.9
165.01808	1.4
165.05557	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0508
Annotation	Orthoform
Peak:m/z	Relative Intensity
51.11387	0.2
52.50246	0.2
66.03493	0.5
66.04274	0.4
69.03455	0.2
71.51973	0.4
91.01888	0.8
93.03455	0.8
93.99324	0.3
94.03000	0.4
95.01380	1.0
95.04987	0.3
108.02169	6.5
108.04529	0.6
109.02996	0.3
117.78235	0.2
121.02949	8.9
122.02480	0.4
122.03283	3.1
122.06101	0.4
123.00891	1.1
123.04518	5.1
124.01646	0.3
125.02468	0.2
136.05296	8.1
137.02425	0.7
138.05635	0.6
151.00339	0.9
151.02722	18.6
152.01138	14.8
152.02426	0.3
152.03040	0.4
166.05074	100.0
166.83350	0.4
166.99843	0.3
167.03484	5.6
167.05392	3.2
167.06902	0.3
183.01707	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	166.0509
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
54.22044	0.2
66.03487	0.5
70.90367	0.3
70.90707	0.2
73.61657	0.2
81.03447	0.3
91.01896	0.4
92.05054	0.8
93.03448	0.5
94.02966	0.4
95.01384	0.8
106.02933	0.2
108.02174	4.1
108.04552	0.5
109.02931	0.4
118.02939	0.2
120.04523	0.3
121.02955	1.4
121.05318	1.9
122.02451	0.7
122.03291	1.5
122.06087	0.3
123.00862	1.1
123.04511	3.2
133.01698	0.2
135.04489	0.6
136.05293	19.4
137.02458	0.2
137.05655	0.7
138.05624	0.3
138.59438	0.2
139.03987	0.4
148.04012	0.4
151.00371	0.5
152.01140	9.3
166.05077	100.0
166.83339	0.6
166.99913	0.3
167.03481	3.7
167.05408	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	168.0301
Annotation	2-Methoxy-4-nitrophenol
Peak:m/z	Relative Intensity
50.11331	0.4
55.15759	0.5
56.58236	0.4
61.34682	0.5
62.37299	0.4
69.35718	2.8
76.22992	0.4
76.23497	0.5
91.10522	0.4
98.20737	0.5
108.02168	33.0
109.02522	1.3
122.02461	3.7
123.38087	0.4
125.02460	1.4
138.01962	75.4
139.02336	2.1
152.63976	0.5
153.01523	1.0
165.20070	0.5
166.01442	70.5
167.01837	2.0
168.03008	100.0
169.03362	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	168.0301
Annotation	2-Furoylglycine
Peak:m/z	Relative Intensity
59.68724	0.2
65.03935	0.2
65.99838	1.2
69.03432	0.2
71.00341	0.4
71.00652	0.2
78.00208	0.2
79.51070	0.2
85.57748	0.2
109.02942	0.8
113.46340	0.2
121.02955	0.8
123.03279	0.2
124.01652	0.5
124.04814	0.5
125.02448	3.8
137.02437	9.1
138.03224	20.6
139.00380	0.3
139.03583	0.5
153.00533	0.4
153.01573	0.5
168.03009	100.0
168.83583	0.4
169.01440	1.2
169.03383	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	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11898	0.3
58.02973	100.0
58.84463	0.3
59.03310	1.2
68.99793	0.3
69.03461	0.7
69.68423	1.0
69.68837	0.8
70.02969	0.5
82.95425	0.4
97.02945	0.6
98.20027	0.4
122.89420	0.6
124.03963	0.5
124.04839	0.5
125.02445	10.7
128.82640	0.3
132.86766	0.8
138.73056	0.3
150.05576	0.4
151.11311	0.4
152.01245	0.3
153.01500	1.0
161.81154	0.3
168.03906	0.4
168.13921	10.9
168.83649	1.4
168.98889	1.1
169.01411	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02978	1.1
59.01372	0.7
64.31533	0.2
67.01899	0.5
69.54488	0.9
69.54905	0.5
71.01385	0.4
73.02976	0.4
77.29865	0.2
79.68701	0.2
82.06622	0.4
83.05054	0.3
83.41443	0.2
85.02950	0.6
87.23605	0.2
93.03443	3.6
99.00903	0.3
99.43431	0.2
111.00877	0.7
111.04509	0.9
113.98841	0.2
117.24014	0.2
128.07991	0.3
128.10808	2.3
130.08734	100.0
131.07144	0.7
131.09099	2.4
137.02409	0.3
139.69695	0.3
144.04518	0.3
172.09775	15.4
173.04498	0.7
173.10153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0089
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00324	2.4
55.01875	4.8
57.03436	4.1
59.01381	11.3
60.99307	1.2
67.01880	3.6
68.99818	3.3
71.01379	100.0
71.16930	1.1
71.17279	1.6
72.99315	5.6
73.02950	7.3
76.90160	1.0
83.01379	12.7
83.05008	1.5
84.99326	1.3
85.02933	7.8
85.06582	2.0
87.00872	6.7
93.03449	5.3
96.99317	3.1
97.17430	1.0
99.00880	30.1
99.04503	1.6
101.02445	1.2
110.03704	1.4
111.00874	15.6
111.04509	11.7
112.98810	67.6
115.00346	4.6
119.64803	0.9
124.98798	17.7
125.06080	3.0
128.88277	0.9
129.01886	2.1
140.98235	1.6
142.99852	52.6
144.00186	1.0
154.99927	1.0
155.03488	5.5
169.69981	1.0
173.00919	7.4
173.04565	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	173.009
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00301	2.0
53.67369	0.8
55.01887	6.3
57.03442	4.3
59.01378	13.8
60.99309	0.8
67.01901	5.7
68.99807	4.4
69.03430	1.7
69.25215	5.1
69.25638	3.2
71.01379	100.0
72.01685	1.4
72.99300	8.5
73.02945	8.9
80.99758	1.0
81.03465	1.3
83.01388	12.8
83.05009	3.6
85.02944	17.7
85.06579	11.9
87.00871	11.2
93.03446	8.6
96.99318	4.3
98.19903	1.4
99.00875	34.8
99.04511	6.3
101.02429	2.1
101.06080	7.2
110.03754	1.2
111.00876	45.3
111.04515	68.9
112.01198	1.3
112.98805	52.3
113.02401	1.3
115.00378	5.4
124.97945	1.6
124.98804	21.5
125.02430	3.4
125.06090	6.3
126.01976	1.0
129.01964	4.1
129.02786	1.0
129.05577	4.2
131.03494	0.8
134.60999	0.8
137.02492	0.9
140.98259	1.4
142.99854	67.2
144.00192	1.4
154.99878	4.3
155.03494	42.5
155.04767	2.0
173.00934	13.7
173.03151	1.4
173.04521	20.6
173.08122	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	173.009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.4
53.08859	0.8
55.01878	6.4
57.03448	6.7
58.02969	1.1
59.01378	17.7
63.24619	0.9
67.01888	5.5
68.99813	3.7
69.62396	4.1
70.50378	0.7
71.01379	100.0
72.99303	8.5
73.02939	15.6
75.00881	1.0
80.99796	0.9
81.03471	5.6
83.01386	13.5
83.05013	1.4
85.02943	15.4
87.00888	6.6
93.03457	7.9
95.04997	1.7
96.99282	2.7
97.02964	0.8
99.00874	36.7
99.04507	1.5
101.02451	3.9
102.52984	0.8
107.05051	1.9
108.02171	1.5
109.02940	1.1
109.06528	1.0
110.02603	1.6
110.03726	26.3
111.00875	25.3
111.04517	25.8
112.98807	54.3
113.06112	1.1
113.99120	2.1
115.00349	5.7
123.04497	1.9
124.98807	20.6
125.06081	77.6
126.06435	2.2
126.38459	1.0
128.07127	0.8
129.01947	4.1
132.06673	2.1
137.06084	3.8
140.98274	1.7
142.99858	55.9
144.00192	2.4
145.01378	0.8
154.99884	1.3
155.03531	4.3
155.05937	1.2
155.07138	17.7
159.68990	0.8
173.00906	14.0
173.04533	3.7
173.08122	6.2
173.09325	0.8
174.07620	1.1
174.83864	0.8
178.65529	0.9
187.62794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0247
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
50.58386	5.0
59.01376	72.1
62.54802	5.9
71.01362	34.0
71.27188	12.1
72.99308	16.7
80.59205	6.4
83.01376	7.5
85.02952	13.7
85.06592	6.3
87.00869	37.9
100.98805	100.0
101.02419	13.2
104.27055	5.4
113.06065	12.7
115.00349	47.7
124.98788	10.3
127.97517	87.2
130.99869	8.6
132.98174	12.7
142.99854	15.7
175.02502	12.6
175.03870	10.1
175.06087	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	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
56.12005	0.5
57.03418	0.8
59.01371	4.8
70.26489	1.6
71.01360	0.7
71.05013	0.6
85.02956	0.7
85.06583	44.9
87.00856	0.7
87.04501	1.2
98.45543	0.5
106.00301	0.6
108.11801	0.5
113.06085	40.4
114.06410	0.9
115.04005	100.0
116.04359	2.4
129.05577	1.9
131.07126	7.9
157.05020	9.9
175.06107	60.7
176.06508	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0192
Annotation	Esculetin
Peak:m/z	Relative Intensity
55.98888	0.2
56.27718	0.3
56.64186	0.2
59.01368	0.5
69.84422	1.1
71.01384	0.2
77.03957	1.4
81.03452	1.9
84.58609	0.2
88.24615	0.2
88.62238	0.3
89.03962	8.6
90.47633	0.2
93.03462	1.6
94.63767	0.2
95.05022	0.9
105.03454	16.2
106.03825	0.4
107.01377	1.0
109.02934	0.4
121.02939	1.2
128.85930	0.2
133.02948	28.0
134.03296	0.8
139.04004	0.6
149.02429	4.4
162.03200	0.5
177.01912	100.0
178.02238	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	177.0192
Annotation	Daphnetin
Peak:m/z	Relative Intensity
53.13931	0.2
57.03426	0.5
57.61934	0.2
58.13908	0.2
59.01376	7.4
64.43884	0.2
68.99802	0.2
71.01369	1.8
71.27969	0.5
72.99280	0.3
77.03965	1.0
85.02936	0.5
87.00864	0.4
89.02450	0.6
89.03962	0.9
92.80289	0.3
93.03451	4.8
95.05004	1.2
99.00846	0.6
103.80768	0.3
105.03450	5.2
115.00372	0.4
117.74911	0.3
121.02951	8.9
123.04529	3.1
129.01935	1.1
132.02188	1.8
133.02953	9.8
133.06575	0.8
134.03699	0.4
139.03938	0.3
147.03004	0.4
149.02437	6.7
162.03214	6.6
177.01917	100.0
178.02269	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	178.9505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.7
61.98821	1.1
69.20335	2.7
69.40677	0.3
69.73858	0.3
71.01360	1.5
79.75443	0.3
87.00874	1.3
89.02460	0.9
99.00861	0.4
101.02394	0.3
118.43878	0.3
119.93730	1.3
121.02943	0.3
123.74800	0.3
125.15319	0.3
134.96083	49.9
135.96155	2.3
136.94003	100.0
137.94069	5.1
151.92717	14.6
151.93672	0.3
152.92838	0.5
161.04536	0.8
164.01189	0.3
178.95056	72.7
179.05663	0.8
179.95155	3.7
196.96159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
51.50133	0.7
58.00579	1.5
59.01376	38.1
60.01699	1.2
65.45762	0.7
71.01376	24.3
71.05012	2.5
71.42216	1.3
72.99306	12.7
73.02943	8.0
75.00866	100.0
81.03455	7.2
83.01365	1.0
85.02946	5.1
87.00867	17.1
89.02436	12.3
99.00870	9.8
99.04537	2.5
101.02438	3.4
113.02432	2.1
117.01905	2.0
119.03496	1.1
125.02426	2.3
130.27164	0.7
135.04497	1.8
143.03482	13.5
159.03107	0.9
161.04539	10.9
164.03249	0.7
179.05591	66.5
186.10468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0869
Annotation	AC1L9A5P
Peak:m/z	Relative Intensity
59.01372	0.9
61.05879	0.3
65.00327	0.5
67.01933	0.2
70.82632	0.5
70.82996	0.4
71.01379	100.0
71.70398	0.3
72.01732	1.1
81.03469	0.4
93.03466	2.5
98.20565	0.3
101.02403	0.4
105.60091	0.3
107.01421	0.4
109.02956	0.5
110.03747	1.8
111.00845	0.4
119.08624	0.4
122.03745	0.6
123.00919	1.4
123.04514	1.7
125.02370	0.3
137.02431	0.7
137.06070	1.0
147.22398	0.3
150.42609	0.3
151.00369	5.6
152.03545	1.8
155.51709	0.3
166.01320	0.5
166.02704	7.8
180.03024	1.6
181.01396	1.0
181.05083	3.6
181.08687	12.6
182.04533	3.1
182.09019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0457
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
56.94302	0.2
65.03954	1.5
65.99838	0.8
67.01878	0.2
70.48306	0.4
79.05502	0.2
93.03482	0.2
94.02946	0.2
95.01391	0.3
109.02941	2.7
111.00834	0.3
121.06594	0.3
124.04877	0.3
135.04504	0.4
135.19298	0.2
137.02432	11.0
138.01953	0.3
139.04028	1.2
151.03976	2.5
152.04785	12.4
153.05086	0.3
165.01974	0.2
167.02199	5.5
182.04564	100.0
183.03027	0.4
183.04898	2.5
183.06525	0.4
183.13885	2.4
199.01207	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	182.0458
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
63.08351	0.3
65.03958	6.5
68.99551	0.4
69.03467	0.4
69.14872	0.3
70.53346	0.3
70.53706	0.9
82.56172	0.3
91.69286	0.3
93.03475	0.8
94.02932	0.4
95.01400	0.4
95.05009	0.5
96.11884	0.3
97.05941	0.3
104.07735	0.3
109.02925	0.3
110.02447	0.3
111.00875	0.7
121.02963	0.6
121.06602	1.6
122.03734	22.8
123.04080	0.6
136.04037	5.1
138.01981	0.4
139.00385	0.4
139.03993	2.9
139.07658	0.4
143.49498	0.3
152.03526	50.8
153.03911	1.5
154.05067	0.5
164.03549	0.5
167.03036	0.9
180.03011	54.7
181.03345	1.2
182.04565	100.0
183.02957	1.0
183.04880	2.6
183.06503	0.5
183.10207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0661
Annotation	Chaetoquadrin F
Peak:m/z	Relative Intensity
57.03439	1.5
65.03960	100.0
66.04304	1.9
69.03452	6.7
71.17667	1.2
81.03453	1.1
88.66426	0.6
91.05550	1.0
93.03463	10.3
95.05030	7.4
101.01869	0.8
101.02407	3.9
103.05478	1.0
106.04169	0.7
109.81500	0.8
119.05044	4.4
121.06591	23.1
122.06870	1.7
139.04001	65.0
140.04320	1.8
165.05580	6.0
180.24510	0.8
183.06660	3.0
183.53816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
65.03959	100.0
66.04299	2.0
69.03445	5.2
70.48680	2.1
77.97594	0.7
81.03437	1.4
93.03460	9.6
95.05031	5.6
98.20688	0.6
101.02419	3.9
103.05556	0.6
106.04269	0.7
119.05012	3.6
121.05710	1.2
121.06591	23.7
134.49178	0.6
139.04001	67.4
140.04356	1.8
158.47081	0.6
165.05577	6.7
183.06601	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	183.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
65.03960	100.0
65.20841	0.7
66.04295	2.3
68.48359	0.7
69.03461	4.4
69.38800	5.0
69.39196	1.5
78.93420	0.6
81.03451	1.6
93.03457	8.1
95.05022	6.7
98.19929	1.7
101.02415	3.7
106.04282	0.7
110.46882	0.7
119.05015	4.1
121.06590	26.5
139.04004	68.7
140.04341	2.5
165.05518	7.0
165.59630	0.7
183.06593	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	183.066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89123	0.7
56.19774	0.7
57.03424	1.9
65.03960	100.0
66.04287	1.7
69.03465	4.4
69.62311	4.0
69.62691	1.8
74.05334	0.7
81.03445	1.6
88.24834	0.8
88.46528	0.8
93.03451	10.2
95.05022	6.3
101.02431	3.4
106.04265	1.1
119.05020	5.1
121.06580	25.3
122.06927	1.1
139.04001	65.2
140.04352	2.1
148.64128	0.8
165.05534	6.0
167.72784	0.8
183.06554	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0661
Annotation	Chaetoquadrin F
Peak:m/z	Relative Intensity
57.03439	0.9
58.41332	0.7
60.01615	0.9
65.03962	100.0
66.04280	2.6
69.03445	5.2
69.83439	3.4
81.03450	2.0
82.59081	0.9
90.97942	1.0
93.03454	7.5
95.05006	6.4
101.02419	3.1
103.05535	0.9
103.77361	0.9
106.04263	1.0
119.04996	3.8
121.06590	26.5
139.04005	70.6
140.04298	1.2
165.05519	6.8
183.06563	3.7
191.97124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54578	0.9
57.03433	1.6
62.86633	0.7
65.03959	100.0
66.04261	1.3
69.03459	6.2
70.57658	1.4
70.58001	1.1
81.03457	1.9
91.05492	0.8
93.03448	13.6
95.05027	8.4
101.02415	3.6
106.04183	1.3
119.05051	4.2
121.06586	26.9
136.63353	0.7
139.04002	97.7
140.04291	1.5
147.68300	0.8
160.00835	0.8
165.05562	7.8
183.06624	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	183.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.4
65.03958	100.0
66.04298	1.3
67.22159	0.9
69.03450	4.5
69.27297	2.6
69.27721	5.8
81.03445	1.8
85.82244	0.9
91.26874	0.9
93.03451	10.3
95.05019	7.1
98.19930	2.2
101.02432	2.3
106.04173	1.3
119.05006	4.0
121.06585	28.5
122.06976	1.4
128.70305	1.0
139.04004	94.9
139.60895	0.9
140.04335	2.8
165.05606	8.5
171.93394	1.1
183.06595	7.6
200.92288	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.2
65.03960	100.0
66.04279	1.5
69.03449	5.7
69.85715	1.5
69.86120	2.9
75.15431	0.9
80.09983	0.9
81.03432	1.1
93.03444	8.7
95.05016	5.3
101.02447	5.3
106.04221	1.4
119.05065	4.8
121.06590	25.7
122.06992	0.9
139.03998	66.7
140.04279	1.4
165.05536	8.1
183.06598	5.1
192.93594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0661
Annotation	Chaetoquadrin F
Peak:m/z	Relative Intensity
53.89138	0.5
57.03439	1.9
64.29160	0.7
65.03959	100.0
65.61903	0.6
66.04301	2.4
69.03452	4.9
69.73064	2.4
69.73471	1.2
73.01491	0.5
77.31516	0.6
80.02696	0.7
81.03471	1.2
83.05013	0.7
93.03455	6.4
95.05025	5.4
101.02448	4.2
103.05520	0.7
106.04246	0.9
119.05038	3.1
121.06588	24.6
126.57275	0.6
139.04002	49.1
149.34802	0.6
153.05544	0.6
155.07216	0.6
165.05557	6.7
182.29695	0.6
183.06633	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	183.1024
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
56.08179	1.3
57.03445	4.0
59.98513	5.3
65.03958	66.3
67.01888	1.8
67.48407	1.3
68.99552	1.9
69.03447	4.9
69.25196	12.5
71.05009	5.0
76.61964	1.4
81.03456	1.8
81.75060	1.2
83.05021	9.5
85.02946	1.6
92.47270	1.4
93.03440	4.6
95.05029	4.9
99.04519	12.6
101.02428	1.7
110.67169	1.3
111.00864	2.1
112.98545	2.0
113.76205	1.4
119.05045	2.5
121.06584	18.7
121.10214	2.4
137.09711	4.6
139.04005	38.7
139.07614	1.6
139.11275	12.1
140.04359	2.1
153.09186	1.4
163.12386	1.2
165.05556	5.2
165.09221	3.5
168.00661	1.7
175.71498	1.3
183.03000	5.1
183.06787	6.9
183.10243	100.0
184.10643	2.0
192.70341	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1181
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.15181	0.4
69.03455	3.9
69.88815	0.4
74.15437	0.4
75.15624	0.4
75.57570	0.4
94.75195	0.5
98.20677	1.2
102.01406	0.5
132.47246	0.4
139.11295	7.7
179.28644	0.5
185.11809	100.0
185.86528	0.5
186.12175	4.8
188.00699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
67.01878	2.5
68.74111	0.6
70.25317	1.7
71.05006	1.4
73.67496	0.6
81.03458	4.9
83.01406	1.2
84.78350	0.8
85.41393	0.7
88.04044	0.8
97.02976	0.6
98.02478	5.2
99.00896	1.4
99.04514	43.8
100.04012	0.6
100.04836	0.7
101.07211	0.8
102.05607	1.2
104.31841	0.8
105.18175	0.7
114.05604	4.9
115.04018	10.2
116.03544	3.8
116.07160	0.6
125.02441	100.0
126.02783	1.9
127.00352	0.8
128.03549	1.8
142.05099	5.5
143.03505	12.1
143.04607	1.3
144.03035	2.6
144.06670	2.8
187.02429	15.6
187.03873	1.3
188.05646	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	187.1338
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
52.31592	0.1
57.93547	0.1
59.01368	1.1
69.72292	0.5
69.72710	0.4
82.88956	0.1
84.46746	0.2
99.08121	0.3
125.09736	0.7
127.07679	0.2
141.12862	2.1
145.08704	1.3
168.75827	0.2
169.12318	0.5
169.39174	0.2
185.11845	1.2
187.13383	100.0
188.13718	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	188.0352
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
65.99857	0.2
69.78008	0.9
69.81047	0.2
73.02243	0.2
102.03479	0.6
116.05089	0.3
128.29803	0.2
131.02820	0.2
144.04543	100.0
145.04887	4.0
159.03249	0.8
159.10953	0.2
188.03510	4.8
189.03812	0.3
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	Unknow
Peak:m/z	Relative Intensity
57.03446	5.6
59.01369	2.3
67.01894	3.3
67.05518	1.1
69.03440	0.4
71.01379	1.4
71.05025	0.3
71.17583	0.6
72.99301	4.8
73.02918	0.4
75.00864	0.6
83.01402	0.3
85.02945	35.7
85.06571	2.4
86.03233	0.4
87.00869	46.3
87.04498	1.3
90.80067	0.4
93.03457	2.7
99.00835	0.9
99.04514	1.2
101.02442	0.4
101.06072	33.3
109.02947	0.7
111.00873	100.0
111.04525	1.4
112.01199	1.5
112.98775	0.5
115.04003	13.7
117.05572	0.5
124.32845	0.4
127.03999	1.6
129.01936	5.4
129.05568	9.2
130.99837	1.1
144.06813	0.4
145.05075	2.6
147.03024	0.6
151.14839	0.3
154.99857	0.6
171.02954	0.5
173.00854	1.7
173.04546	0.5
191.01990	12.3
191.05592	51.5
192.05974	0.7
194.66417	0.4
206.41516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0348
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03442	1.0
59.01376	8.8
67.01895	0.7
71.01368	0.7
72.99300	0.7
73.02945	1.6
85.02939	8.1
87.00870	8.8
87.41307	0.3
93.03451	0.8
98.20687	0.6
101.02413	0.4
101.06083	2.2
103.03984	0.3
111.00872	18.6
112.01244	0.4
115.04012	1.1
117.01933	0.4
119.04991	1.6
121.02947	100.0
122.03281	2.8
129.01933	1.5
129.05547	0.4
131.03485	0.6
144.17795	0.3
145.86229	0.5
147.04514	6.1
163.04030	0.9
173.00916	0.5
176.01160	1.6
176.04907	0.4
191.01920	2.3
191.03505	9.1
191.05603	8.8
191.07007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0559
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03445	3.0
58.91908	0.4
59.01156	0.3
59.01379	3.6
63.41844	0.4
67.01891	1.8
70.78152	0.5
70.78499	0.7
71.01373	2.8
72.99294	0.7
73.02935	0.9
81.03456	0.6
83.01385	0.5
83.05008	0.9
85.02945	28.4
86.03277	0.5
87.00870	20.9
93.03450	6.8
97.73416	0.4
99.00872	1.4
99.04496	0.8
101.02438	1.2
101.06079	2.2
109.02945	2.2
111.00874	32.9
111.04520	3.0
112.01197	0.6
112.98811	1.8
115.04035	0.6
117.01939	0.5
127.04013	3.9
129.01939	2.6
129.05525	0.9
131.03455	0.5
135.39386	0.4
171.02982	1.6
173.00883	0.6
173.04520	2.6
191.02055	4.5
191.05600	100.0
192.05931	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	191.0559
Annotation	quinic acid
Peak:m/z	Relative Intensity
51.67410	0.5
57.03434	1.9
58.00589	0.7
59.01365	1.0
67.05524	3.6
69.03468	1.0
70.77976	0.7
70.78288	0.6
71.04998	1.1
72.26338	0.4
72.99302	16.4
73.07856	0.5
73.22884	0.5
75.00849	0.5
83.05047	0.6
85.02946	10.3
85.06583	8.0
87.00874	10.7
87.04517	3.5
93.03461	1.2
99.04514	4.3
101.06075	100.0
102.06408	2.5
111.00875	21.5
111.04499	1.9
114.97672	0.5
115.04008	36.5
116.04365	0.7
127.04053	0.7
129.01866	0.9
129.05576	27.3
145.05051	9.0
173.04515	1.1
173.53520	0.5
191.02036	3.5
191.05608	62.0
192.05925	1.5
213.00655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53489	0.6
57.03446	0.7
59.01366	2.4
61.83884	0.6
67.05522	3.3
67.45802	0.7
69.03438	0.8
69.59669	0.7
70.17751	0.7
71.01371	1.4
72.99305	14.0
83.90458	0.7
84.66803	0.6
85.02947	14.7
85.06586	7.8
87.00874	8.5
87.04501	3.1
93.03441	3.1
99.04482	3.6
101.06074	100.0
102.06406	1.9
103.71969	0.7
104.74345	0.9
111.00879	12.4
111.04491	1.6
115.04002	39.1
127.03984	1.4
129.01900	1.1
129.05571	28.8
145.05048	6.8
145.50494	0.7
147.06592	1.7
173.04549	1.3
186.22166	0.7
191.01984	2.4
191.05594	80.7
192.05975	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	191.056
Annotation	quinic acid
Peak:m/z	Relative Intensity
59.01375	0.9
67.05531	3.0
69.03453	0.9
70.25295	2.3
71.05015	1.4
71.70921	0.4
72.99304	14.8
75.00876	1.4
85.02944	1.9
85.06583	7.9
87.00851	1.0
87.04501	4.3
99.04514	4.3
101.06074	100.0
102.06437	1.6
111.00865	1.7
111.04513	1.5
115.04003	34.8
129.05573	26.4
130.05945	0.6
145.05057	8.1
147.06621	1.1
173.04585	0.6
191.05598	48.0
192.06075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0559
Annotation	Quinic acid
Peak:m/z	Relative Intensity
52.49763	0.2
57.03446	0.8
58.87380	0.2
59.01379	3.1
60.96695	0.2
63.61412	0.2
67.01891	0.9
69.03455	0.6
71.01373	1.8
71.05742	0.2
71.06072	0.3
72.99305	0.2
73.02946	0.9
81.03474	0.8
83.05028	1.0
85.02944	21.5
87.00870	4.5
93.03452	6.5
94.03776	0.2
95.01456	0.2
97.02899	0.2
99.00904	0.2
99.04507	1.2
101.06081	0.4
109.02934	1.8
111.00883	1.8
111.04513	2.4
113.02417	0.3
115.03995	0.2
125.02496	0.2
127.04002	3.8
129.01918	0.3
129.05595	0.3
137.02464	0.2
143.03423	0.2
155.03445	0.3
171.02975	1.0
173.04492	1.6
191.05595	100.0
192.05949	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	191.0559
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03428	0.5
59.01374	2.6
67.01885	0.8
69.03445	0.5
69.43932	0.9
71.01380	1.4
73.02946	0.7
80.46629	0.1
81.03455	0.5
83.05025	0.7
83.37886	0.1
85.02946	17.6
86.03246	0.1
87.00867	4.2
93.03453	5.6
95.01371	0.2
97.02966	0.2
99.00851	0.1
99.04510	0.9
101.06078	0.2
109.02945	1.7
111.00889	1.0
111.04515	1.7
113.02401	0.2
115.03973	0.2
127.04008	3.3
129.01987	0.1
137.02431	0.3
145.05042	0.1
155.03474	0.1
164.96043	0.1
171.03001	0.8
173.04523	1.6
191.05597	100.0
192.05923	2.1
195.04347	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	191.0559
Annotation	Quinic acid
Peak:m/z	Relative Intensity
50.62683	0.1
51.29583	0.1
54.92585	0.1
57.03438	0.7
59.01373	2.9
60.99280	0.2
67.01877	0.8
69.03438	0.6
70.26698	0.4
71.01371	1.7
73.02933	0.8
81.03448	0.9
83.05025	0.8
85.02943	20.4
86.03275	0.3
87.00864	4.3
93.03447	6.2
95.01376	0.3
97.02893	0.2
98.20669	0.2
99.04502	0.8
101.02399	0.2
101.90660	0.1
109.02935	1.6
111.00861	1.3
111.04512	2.3
113.02450	0.3
115.04015	0.2
125.02467	0.3
125.25302	0.1
127.03996	4.1
129.01880	0.2
137.02458	0.3
143.03516	0.2
145.05029	0.2
153.01971	0.2
155.03491	0.4
171.02968	1.4
173.04514	1.9
191.05589	100.0
192.05942	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.01868	1.0
57.03437	0.8
58.00591	0.6
59.01099	0.7
59.01372	5.0
65.00347	0.4
67.01898	0.4
69.03443	1.2
69.27107	2.9
69.27524	0.8
71.01371	5.6
72.99304	0.6
73.02946	5.1
81.03468	0.4
83.01375	2.5
85.02940	6.2
86.00104	1.0
87.00877	5.2
89.03957	0.6
92.02666	1.1
93.03445	2.4
95.01385	2.6
97.02945	2.6
98.20756	0.5
99.00873	4.1
101.02437	8.2
103.00385	0.4
107.01368	0.6
108.02169	3.7
111.00895	1.0
113.02453	1.9
117.03458	1.4
121.02930	0.8
121.06611	0.7
123.00847	1.0
125.02433	1.6
125.03223	0.4
134.03732	18.7
137.02435	2.0
140.71091	0.5
141.01932	1.9
149.06068	100.0
150.06421	2.9
155.03505	1.6
159.02942	0.5
161.04556	9.2
175.06088	0.4
177.67020	0.4
178.02710	8.3
193.01324	0.7
193.05051	15.5
193.07137	7.9
194.05663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
54.64208	0.4
55.01869	0.6
57.03444	0.6
59.01377	4.2
68.38587	0.4
68.96001	0.4
69.03459	1.1
69.07515	0.4
71.01377	4.3
71.24252	0.5
72.99312	1.0
73.02946	4.5
83.01366	2.0
85.02944	5.3
87.00875	3.9
89.02457	0.6
89.03953	3.1
93.03436	0.7
95.01385	1.0
97.02935	2.0
99.00885	3.4
101.02441	6.2
106.04241	1.3
108.02133	0.7
111.00882	0.9
112.01701	0.5
113.02444	1.2
114.09669	0.4
116.04457	0.4
117.03462	6.4
121.02967	2.4
123.00897	0.6
123.04534	0.4
125.02437	1.3
133.02957	2.2
134.03732	100.0
135.04037	2.3
137.02434	7.3
139.03951	1.9
141.01955	1.7
149.02438	0.9
149.06070	11.9
150.03218	0.8
155.03476	0.9
158.87344	0.4
161.04543	8.2
175.06184	0.5
178.02704	25.4
179.03027	0.8
193.01370	0.8
193.05057	19.9
193.07149	6.9
193.08833	0.9
194.05498	1.1
197.60736	0.5
199.85681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	Methyl caffeate
Peak:m/z	Relative Intensity
51.54584	0.2
55.01886	0.4
57.03444	0.4
58.00610	0.2
59.01375	2.8
59.74945	0.2
63.20199	0.2
66.13218	0.2
69.03439	0.8
71.01380	3.2
71.52595	0.4
72.99303	0.6
73.02948	3.0
75.00896	0.2
78.50221	0.2
81.03452	0.4
83.01382	1.1
85.02943	3.2
86.00097	0.4
87.00861	2.3
89.02464	0.3
93.03472	0.9
95.01373	0.8
97.02929	1.4
99.00881	2.8
101.02432	4.5
109.02936	0.4
111.00859	0.8
113.02443	0.9
121.02939	2.6
123.00885	0.4
125.02431	1.2
127.03936	0.3
132.02061	0.2
133.02951	14.6
134.03746	17.7
134.95294	0.2
135.04074	0.2
137.02437	13.9
139.04002	4.3
140.01164	0.3
141.01927	1.5
149.02394	0.5
149.06104	1.2
150.03232	1.7
155.03543	0.6
161.02437	25.2
161.04460	5.4
162.02721	0.7
165.01898	0.5
175.06052	0.2
178.02699	6.8
193.05042	100.0
193.07016	4.3
194.05389	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	193.0868
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
55.01887	0.4
55.39661	0.2
57.03448	0.3
58.00600	0.4
59.01379	3.5
69.03468	1.3
69.37605	2.1
71.01374	4.5
71.01736	0.4
72.99323	0.6
73.02940	4.5
73.03304	0.3
75.19965	0.3
81.03484	0.5
83.01384	2.1
85.02943	4.9
86.00100	0.7
87.00879	3.8
89.02448	0.5
95.01402	1.3
97.02944	2.2
98.19859	0.3
99.00881	4.1
100.01664	0.3
101.02441	6.3
101.03104	0.4
111.00869	0.6
112.01682	0.4
113.02426	1.3
121.02930	0.6
123.00875	0.4
123.04491	0.4
125.02420	1.5
134.03725	2.5
135.04515	25.3
136.04852	1.0
137.02515	0.4
140.01137	0.3
141.01962	1.8
149.06082	1.0
155.03473	0.8
159.02988	0.3
161.04546	8.8
163.03996	100.0
164.04306	2.9
177.05559	0.5
178.02940	3.4
178.06334	65.0
179.06702	2.2
191.05588	0.5
193.05046	2.1
193.07111	7.1
193.08704	8.6
202.63797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0297
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
59.01371	1.5
62.90059	0.4
66.79518	0.4
67.01882	1.2
68.99829	0.7
69.77874	2.4
71.01372	0.9
72.99322	0.5
75.00867	2.1
75.94851	0.4
81.03402	0.5
83.01382	2.6
87.00868	1.3
89.02446	0.6
93.03500	0.6
95.01391	3.9
99.00892	0.5
105.01925	0.8
107.01403	3.2
107.05032	1.7
108.02170	4.9
109.02942	0.4
111.00876	11.6
120.75404	0.4
121.02934	0.6
122.03746	1.9
123.00880	22.3
123.04508	0.5
124.01662	23.0
129.01962	0.9
135.00850	1.8
136.01674	0.8
136.05351	0.5
137.02440	1.9
139.00348	2.9
149.02419	2.1
150.03227	13.1
151.03957	1.2
152.01169	4.7
152.92618	0.4
165.05550	12.6
167.03503	6.0
177.04112	0.6
180.04309	1.6
195.02975	100.0
195.06728	2.0
196.03363	2.9
196.16304	0.4
213.26331	0.4
213.38217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.02
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
54.83591	0.4
56.70772	0.4
59.01372	0.9
61.98827	4.4
62.92736	0.4
64.01905	0.9
65.03960	1.4
66.03477	0.5
68.99821	0.5
71.52128	0.4
93.03461	1.1
95.01383	2.3
97.02917	0.6
103.97667	0.5
108.02213	0.5
109.02946	10.0
121.02954	2.9
122.02459	0.7
123.00875	7.2
123.04535	0.5
125.02425	1.2
126.90484	3.8
137.02434	15.5
138.02002	1.0
138.03186	1.9
139.02684	0.5
140.03519	3.1
150.01968	2.6
153.01926	0.8
153.05566	1.7
153.12906	0.7
160.84206	13.5
161.84215	1.2
162.83899	33.0
166.01357	0.7
166.99873	5.7
167.02194	8.9
169.12325	0.5
178.99843	1.0
180.01746	13.9
182.02191	13.3
196.91029	0.5
197.02022	100.0
197.04509	3.1
197.08157	1.2
197.09706	6.7
197.11821	3.3
197.78925	1.0
197.80775	20.9
198.02348	2.5
212.00696	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	197.0606
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
51.73933	1.4
53.47036	1.6
59.01376	3.2
61.98829	22.7
65.00301	2.8
67.78905	1.5
69.24510	14.5
71.01372	2.2
73.78101	1.6
81.03474	2.0
95.01359	8.0
97.02943	1.6
97.06600	1.8
98.19849	3.3
103.97662	1.9
105.61012	1.4
109.02936	7.0
110.02428	1.5
111.00886	2.6
112.01663	1.6
112.04031	1.6
116.92845	9.3
121.02943	9.2
123.00872	32.6
125.02466	3.2
126.90493	19.3
135.08224	1.7
138.03241	7.9
147.04698	1.6
153.01938	7.1
153.05565	8.3
153.09175	2.0
153.12823	11.4
160.84189	37.4
161.84203	2.9
162.83905	100.0
166.99840	24.8
169.06598	2.8
177.66995	1.6
178.99820	5.5
179.10759	2.3
182.02190	55.3
182.05811	2.5
183.02614	2.5
196.98425	1.9
197.00729	2.1
197.02257	3.4
197.04477	19.0
197.06067	81.3
197.08043	5.4
197.11783	11.4
197.15448	2.1
197.80782	67.8
198.06369	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	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01366	1.2
59.58567	0.4
61.98828	2.2
68.99562	0.7
69.03451	1.8
69.99006	1.9
71.01382	0.6
80.96514	0.7
81.03462	0.6
83.05013	1.0
95.01379	1.6
97.02963	0.5
98.19929	0.4
103.97675	0.6
109.02953	1.1
109.06598	0.8
112.98528	0.7
121.02924	1.7
123.00872	6.2
125.02416	0.6
126.90504	3.1
135.08163	0.5
138.03232	1.6
141.09177	1.2
151.11252	1.1
153.01956	0.7
153.05563	1.5
153.09296	2.0
153.12862	3.9
154.12416	0.8
160.84224	1.9
162.83913	6.7
166.99869	5.2
169.12328	15.3
170.12636	0.7
178.99866	0.7
179.10699	1.5
182.02203	10.7
194.65337	0.4
196.90965	0.6
197.04538	3.9
197.11824	100.0
197.80827	3.7
198.12170	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	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
61.98835	1.8
69.03458	0.8
71.04998	0.9
71.52475	0.6
85.06539	0.3
95.01378	0.6
97.06584	12.4
97.07217	0.6
98.06929	0.5
99.08147	3.8
102.26926	0.3
109.02904	0.4
109.06554	0.4
121.02951	0.7
122.03795	1.8
123.00899	2.8
125.02424	0.5
125.09692	0.6
126.03233	1.0
126.90536	1.6
137.02397	0.4
137.09756	2.0
138.03256	0.5
139.89273	0.4
151.11301	0.6
153.01929	0.4
153.05605	0.8
153.12842	100.0
154.13182	3.9
160.84204	6.1
162.83905	16.7
166.99844	2.1
178.99855	1.0
179.10760	22.0
180.11084	0.9
182.02199	5.0
197.02087	1.0
197.04469	1.4
197.05975	0.3
197.11812	9.2
197.13588	0.7
197.80782	10.2
198.12267	0.5
211.05247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15022	0.3
59.01374	100.0
60.01718	0.5
70.54810	0.5
70.55143	0.4
77.56938	0.3
113.04581	0.5
115.96694	0.3
116.56428	0.3
128.49512	0.3
128.75362	0.3
157.03560	7.4
158.03804	0.3
159.01518	1.4
160.01764	0.3
175.04900	0.3
192.28001	0.2
196.31422	0.3
201.02528	18.9
202.02641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0825
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
59.01368	2.9
59.20400	0.8
62.06508	0.7
69.19847	1.9
69.20258	4.6
71.01370	1.1
72.00902	25.0
73.49596	0.7
74.02470	31.0
97.02940	1.1
116.05053	100.0
117.05412	3.8
118.17539	0.7
130.06630	2.0
130.74821	0.7
131.05017	3.4
142.06610	24.9
143.06973	1.0
159.09253	19.4
161.04826	1.2
168.37230	0.7
186.05563	3.4
198.97809	0.8
203.03458	2.4
203.08235	81.1
204.08551	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	203.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62207	0.1
59.01374	2.7
60.01706	1.0
61.01801	0.2
61.98825	100.0
62.98542	0.1
69.06167	0.1
70.64883	0.3
70.65211	0.1
71.01376	0.5
71.31577	0.1
72.99346	0.1
78.91857	0.2
79.98177	0.1
81.43659	0.1
85.02943	0.1
85.60156	0.1
87.00887	0.2
92.14632	0.1
99.00879	0.2
105.21197	0.1
115.00374	0.3
121.25705	0.1
122.89455	0.2
132.05365	0.2
141.86821	0.3
142.99910	0.1
143.86514	0.7
152.93909	0.1
161.87576	0.1
161.89438	0.1
162.89268	0.2
166.83307	0.2
203.99983	1.2
204.02763	0.4
204.04277	0.2
205.16011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25060	0.1
59.01375	5.2
59.42770	0.1
60.01709	2.2
61.01803	0.7
61.98825	100.0
62.98530	0.1
71.42278	0.1
84.49435	0.1
84.74754	0.1
106.42984	0.1
107.70969	0.1
112.89188	0.1
116.11463	0.1
160.03728	0.4
162.01630	0.1
203.99982	1.2
204.02637	1.2
205.16006	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	205.035
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
50.50771	1.9
55.01870	8.0
55.71433	1.9
57.03450	4.9
58.00579	2.9
59.01376	75.8
60.99311	2.3
61.98827	38.2
64.02809	1.8
64.64316	1.8
67.01899	3.3
68.99811	11.0
69.03461	2.4
71.01379	100.0
71.50600	2.7
72.99304	48.5
73.02946	14.3
75.00873	35.5
83.01389	19.4
83.06728	2.0
84.99308	2.3
85.02927	10.9
87.00871	49.9
88.79440	1.9
88.98816	3.9
89.02441	10.7
91.59698	1.8
91.76280	1.6
94.60514	2.0
96.99323	8.8
97.02984	2.7
99.00868	43.7
99.04493	9.7
101.02430	18.8
103.00379	7.2
103.47444	2.2
111.00877	42.7
112.98801	41.7
115.00363	94.4
115.04012	3.1
116.00745	2.3
117.01947	14.7
117.65166	1.8
118.98056	3.8
124.98800	14.8
125.02444	20.8
127.00391	10.0
129.01930	16.3
131.03505	3.5
133.01450	2.7
142.99847	29.7
143.03502	6.3
145.01450	28.9
154.99855	12.2
157.01379	2.7
162.89296	2.5
173.00911	7.6
175.02472	10.9
187.02431	5.3
190.38345	2.1
205.03720	11.1
205.05165	2.5
205.07097	3.3
205.15987	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	205.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89816	2.0
55.01865	8.7
57.03446	4.4
57.87475	2.3
58.00585	4.0
59.01375	87.7
60.99295	2.7
64.81252	2.2
66.26605	2.6
67.01896	4.4
68.99812	9.1
71.01376	92.3
72.99299	57.0
72.99694	3.8
73.02928	15.7
75.00864	37.9
81.03465	2.6
83.01380	16.8
84.99313	2.6
85.02957	9.0
87.00870	55.8
89.02442	8.9
96.83971	2.3
96.99332	9.6
98.20813	2.8
99.00871	45.2
99.04531	4.3
101.02436	14.2
103.00365	8.2
111.00084	3.8
111.00864	78.2
112.98800	26.8
115.00362	100.0
117.01940	23.5
124.98807	17.8
125.02424	10.4
127.00359	14.5
129.01920	21.8
136.80635	2.1
142.99823	22.7
143.03531	4.1
145.01425	24.9
154.99881	21.1
173.00832	11.2
175.02466	10.3
183.11301	2.6
187.02556	4.0
205.03503	10.8
205.07121	2.7
221.54190	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	205.1595
Annotation	beta-Irone
Peak:m/z	Relative Intensity
58.02960	0.2
59.01382	1.4
61.98822	0.9
68.99813	0.2
71.01381	1.2
72.99308	0.6
75.00858	0.5
85.02952	0.2
87.00858	0.5
89.99859	0.3
93.03465	0.1
96.99294	0.2
98.19850	0.4
98.87466	0.1
99.00885	0.6
101.02442	0.2
105.03468	0.2
113.20538	0.1
115.00352	1.3
117.03458	0.2
133.02928	0.5
138.21649	0.2
138.40401	0.2
142.99796	0.2
145.01413	0.2
154.99815	0.2
161.02428	0.4
161.06093	0.2
162.89368	0.4
164.07172	0.2
168.96388	0.2
177.01877	0.5
189.12813	1.4
190.02696	0.4
201.87370	0.2
205.01361	1.1
205.15953	100.0
206.16292	5.4
209.45215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0821
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02972	34.7
65.34724	0.8
70.02975	14.3
71.43382	0.9
72.00906	4.5
91.05523	11.9
103.05537	2.4
107.76101	0.8
135.04578	0.9
147.04510	40.1
148.04869	0.9
162.09244	1.2
164.07149	100.0
165.07497	4.5
169.79630	0.7
206.08205	44.0
207.08624	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	206.9743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
61.98826	100.0
62.98536	0.2
68.96214	0.1
69.69890	0.5
71.01382	0.1
75.00916	0.1
86.68011	0.1
94.37502	0.1
98.20584	0.1
99.00848	0.1
109.02955	0.1
129.01939	0.3
147.02959	0.3
148.05266	0.1
149.02480	0.2
162.98476	1.5
163.03862	0.1
164.89516	0.1
164.96390	0.2
177.01912	0.8
191.98727	0.1
192.04295	1.1
206.97438	9.9
207.06647	0.4
207.10251	0.1
207.97523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15911	0.8
59.01375	95.7
72.99300	8.5
98.20617	1.6
103.05530	5.5
119.05016	10.8
120.05347	1.0
122.14754	1.0
129.01903	1.0
147.04509	100.0
148.04869	3.2
165.05554	81.3
166.05905	3.3
177.01944	1.1
192.04236	2.9
207.01183	1.4
207.06601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0664
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
55.01866	3.6
57.03443	26.4
58.00578	1.8
59.01376	28.4
66.76865	1.0
68.99808	1.9
69.66141	5.9
69.66442	2.1
71.01374	13.5
72.99284	2.1
73.02945	3.0
77.63453	1.1
83.01374	4.8
84.02168	6.8
85.02946	73.1
86.03272	1.7
87.00874	26.3
87.04511	1.5
89.02454	8.1
97.02946	2.9
99.00874	4.4
101.02435	7.6
111.00881	6.2
115.04040	1.5
119.03527	1.7
129.01935	42.7
130.02231	1.1
141.01915	3.4
159.02968	9.3
200.64142	1.1
209.06639	100.0
210.06981	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	209.0664
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
55.01873	4.6
57.03446	20.6
58.00591	2.1
59.01373	19.8
59.59404	0.7
66.96795	0.7
68.99812	2.7
69.03458	1.0
70.34425	2.3
71.01380	14.1
72.99292	2.4
73.02940	3.2
75.00864	2.0
83.01373	5.5
84.02158	6.3
84.55782	0.7
85.02943	67.7
86.00098	1.0
86.03284	1.1
87.00872	28.6
87.04520	1.7
89.02435	5.3
97.02964	1.8
99.00877	8.0
99.54688	0.7
101.02430	5.0
111.00867	7.7
112.98801	9.2
114.28656	0.6
115.04004	1.0
121.02957	1.2
124.98797	1.8
129.01930	39.6
130.02280	0.8
140.98302	0.7
141.01926	3.7
142.99850	38.1
144.00172	1.3
147.02905	0.9
159.02985	11.1
173.00879	11.2
208.98509	1.2
209.06630	100.0
210.06940	2.3
221.44534	0.8
223.95012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.118
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
59.01369	3.3
61.98825	48.8
62.94258	0.6
65.00324	0.7
66.01107	0.6
68.99837	0.6
71.01387	1.1
71.52071	1.0
79.01802	0.5
83.01400	0.7
85.02957	0.8
91.01889	1.4
92.99825	2.4
93.03452	3.0
94.02986	1.8
95.01389	1.6
96.96033	0.8
120.02187	1.1
121.02947	90.2
122.03277	3.3
124.03978	2.8
136.01654	0.7
136.98827	0.9
137.02417	1.1
137.71350	0.6
151.00368	0.6
163.11293	0.7
164.94264	0.9
164.98337	0.9
165.01871	1.1
165.05597	0.9
165.12872	0.8
165.42789	0.6
179.03499	1.1
181.05109	0.7
181.12372	1.0
194.02194	1.9
194.05873	1.2
209.00891	2.8
209.02715	1.0
209.04538	14.2
209.11804	100.0
209.94873	19.5
210.04901	0.8
210.12199	3.9
228.34319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
57.03437	3.8
59.01376	12.9
61.59393	1.1
61.98824	8.7
64.54559	1.3
69.03449	21.1
69.22366	1.2
71.05011	2.8
83.05020	2.8
85.02969	1.2
93.03453	3.2
95.05040	2.3
96.96005	2.3
97.06587	2.0
108.05775	1.8
111.08141	4.5
120.02126	1.4
121.02948	51.8
122.03264	2.4
124.04025	2.6
135.08138	2.5
139.07648	1.5
147.11813	1.1
153.09157	6.1
163.11246	4.7
165.09187	4.0
165.12822	17.9
170.77345	1.2
181.12328	21.4
182.12656	1.2
189.31859	1.1
191.10762	27.5
192.11145	1.8
194.05923	1.1
209.00890	1.8
209.04555	9.7
209.08475	3.4
209.11797	100.0
209.94795	2.8
210.12148	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	209.9489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
59.89345	0.1
61.31009	0.1
61.98825	100.0
62.98537	0.1
66.09396	0.1
70.45220	0.1
70.64857	0.3
83.57885	0.1
90.80831	0.1
94.02959	0.2
95.01400	0.2
103.98463	0.1
112.62242	0.1
120.01002	0.1
124.04040	0.7
125.89586	0.1
137.94501	0.2
144.36194	0.1
153.92249	0.1
163.95642	0.2
164.96439	0.5
166.91071	0.3
173.95273	0.2
192.85785	0.1
196.34604	0.1
209.94875	36.1
210.12048	0.1
210.91458	0.1
210.94925	2.0
211.13341	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	211.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.3
64.40429	0.3
66.42696	0.3
69.03444	0.8
83.05054	0.4
85.39130	0.3
102.48790	0.4
115.03151	0.4
167.10730	0.8
167.12193	0.3
167.14380	1.6
183.13884	12.8
193.12344	3.8
211.13367	100.0
212.13708	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	213.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.9
63.92374	0.9
65.03963	10.0
65.10696	0.9
69.03455	4.9
70.26283	3.9
84.02156	1.0
86.08407	1.0
87.00879	12.2
87.04482	1.2
90.78668	1.1
93.03457	17.8
95.05004	3.7
103.05514	1.9
108.02142	4.4
119.05084	2.4
121.06594	22.4
123.04512	2.5
125.06076	100.0
126.06384	3.3
149.23019	1.0
149.54739	1.1
151.07639	40.0
153.05582	1.4
169.08676	8.8
206.77766	1.1
213.07700	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	213.0768
Annotation	(1'R,2'R)-Guaiacyl glycerol
Peak:m/z	Relative Intensity
51.04757	1.0
55.57386	1.1
59.01376	100.0
60.01707	1.8
69.64780	3.9
69.65195	2.8
98.19916	2.5
107.05022	1.2
108.02164	38.8
123.04510	11.3
125.06090	1.9
135.04541	2.1
137.02380	1.8
153.05594	9.4
191.55617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
71.44803	0.3
97.06532	0.2
129.57663	0.2
132.41902	0.2
152.61617	0.2
177.12794	0.5
178.80959	0.2
183.13882	23.6
184.14214	1.1
192.38123	0.2
195.13882	19.7
196.14195	0.9
211.13379	0.7
213.14935	100.0
214.15277	5.7
214.16803	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	215.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36315	0.9
52.25677	0.9
65.03958	44.3
69.03429	1.2
70.84864	2.6
83.83474	1.0
93.03458	8.0
95.05038	4.6
101.68918	1.1
119.04996	3.8
121.06593	20.4
139.04002	100.0
140.04329	3.0
140.31090	0.9
153.70755	1.0
165.05560	19.4
170.53520	0.9
183.06606	32.6
184.06874	1.4
186.19069	1.0
215.00938	2.3
215.09242	10.7
230.38142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59412	1.3
65.03963	67.6
68.71899	1.2
69.03452	2.9
69.34156	4.8
69.34576	6.5
80.00286	1.3
81.03420	1.5
93.03453	7.6
93.25872	1.4
95.05023	4.6
98.20726	2.2
101.02425	2.3
118.15643	1.5
119.05016	4.3
121.06588	36.2
139.04004	100.0
139.07614	11.8
140.04312	3.7
147.15269	1.4
159.97881	1.7
165.05548	25.6
183.06612	64.4
184.06934	3.0
210.44368	1.4
215.09192	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17580	1.2
65.03959	80.1
66.04305	1.5
69.03436	3.7
71.43328	1.6
72.53341	1.3
73.02934	2.3
75.00854	1.4
81.03455	1.6
93.03454	10.2
95.05013	4.6
101.02448	2.8
106.04256	1.2
108.65533	1.3
119.04967	6.8
121.06582	47.2
139.04005	100.0
139.07611	20.5
140.04301	2.6
146.92166	1.4
165.05545	25.6
170.84236	1.3
183.06609	70.1
184.06914	3.1
213.07603	1.3
215.00952	4.8
215.09216	45.2
216.09612	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	215.165
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
50.01454	0.3
59.01364	1.1
61.98820	0.5
67.38644	0.3
89.02441	0.4
94.22218	0.3
121.06226	0.4
122.89419	3.1
137.62617	0.4
144.00920	0.6
160.56618	0.3
168.88698	0.8
169.15952	5.4
186.89705	1.5
197.15540	1.8
213.14886	0.9
215.01010	6.2
215.03105	0.6
215.16495	100.0
216.16811	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01722	0.4
66.86969	0.4
69.33283	3.0
82.33066	0.4
90.97140	1.6
107.86163	0.4
110.62305	0.4
118.96639	0.7
132.98224	2.6
160.97739	0.5
174.99243	28.4
192.41435	0.4
195.27475	0.5
209.53760	0.4
217.00287	34.2
218.00691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82410	1.3
59.01375	100.0
60.01720	1.6
66.11738	1.0
69.63577	6.3
95.60646	1.3
165.66664	1.1
177.44333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03448	5.9
58.36904	1.0
59.01376	7.0
64.85209	1.0
69.03446	2.2
71.01371	2.6
71.50727	1.0
71.51151	1.0
72.99290	2.3
74.99090	1.9
81.03453	26.1
83.01380	37.2
84.01717	1.2
85.02943	4.1
87.00884	2.3
87.04500	6.2
92.05039	1.8
97.02943	34.1
99.00858	1.4
99.04511	28.1
107.32261	0.9
115.04014	7.2
118.98093	15.2
125.02441	100.0
126.02793	2.0
127.00376	11.5
129.01927	7.0
143.03487	15.9
148.07600	1.7
157.05042	5.3
159.02982	38.7
160.03358	1.1
172.58887	1.0
175.04002	1.2
176.07033	1.0
181.56323	1.1
187.02469	43.7
188.02698	1.5
201.04004	2.2
219.03108	2.1
219.05069	15.4
219.12331	4.1
219.17528	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	219.9773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01070	0.4
59.01375	9.1
61.98826	100.0
71.50118	0.3
101.02444	0.2
114.31657	0.2
135.38945	0.2
159.97401	0.4
160.84174	1.6
161.04498	0.3
177.96729	0.4
177.98869	0.2
178.98508	1.0
190.99957	0.2
206.02130	0.3
218.61446	0.2
219.17627	0.9
219.85634	0.3
219.97740	4.1
219.99741	0.3
220.17932	0.7
220.99654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0663
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
51.65483	0.7
55.01875	1.2
57.03440	1.8
59.01377	100.0
60.99318	1.3
69.03446	0.9
69.18035	2.6
69.18465	4.1
69.48851	0.8
71.01376	13.7
72.99305	11.0
73.02944	9.3
75.00878	2.9
80.96532	1.0
81.03435	1.3
83.01401	2.6
85.02939	8.6
86.00094	1.1
87.00868	7.5
89.02462	3.3
95.01379	1.0
97.02952	1.0
98.20670	1.6
99.00894	2.1
100.60268	0.9
101.02445	9.5
103.04053	1.1
105.01926	0.9
113.02438	4.9
115.00374	4.8
129.01936	3.3
131.03476	5.2
133.01451	3.7
133.05138	0.9
141.01917	0.8
143.03497	1.0
145.01440	2.6
152.98206	0.7
159.02997	1.4
161.04562	12.0
221.04738	1.1
221.06645	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	223.1338
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.02341	0.9
57.03432	1.2
59.01364	4.8
64.07637	1.0
69.03440	6.0
70.81964	2.8
71.05000	1.5
92.52212	1.1
95.05006	1.5
125.09738	1.0
146.21204	1.1
161.13390	1.4
167.10751	9.7
177.12720	1.1
179.10748	4.4
179.14417	10.0
195.13884	25.9
196.14299	1.5
205.12303	21.6
211.70352	0.9
223.13376	100.0
224.13771	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	225.0401
Annotation	Prephenate
Peak:m/z	Relative Intensity
56.87537	1.7
58.10133	1.8
59.01358	2.6
67.01883	3.1
68.99789	2.6
69.03440	3.1
69.45866	11.6
73.23177	1.8
91.05524	11.0
93.03455	46.0
95.05037	3.3
98.20626	3.6
107.05016	15.1
109.06596	27.8
119.05016	100.0
120.05351	3.4
121.02998	3.2
123.04526	2.8
135.04512	23.1
137.02457	2.5
137.06073	27.4
153.05566	39.0
163.03989	4.1
181.05060	34.9
195.03035	2.0
197.04529	5.8
207.02943	15.9
225.03975	22.5
225.07535	3.0
225.11299	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	225.1131
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
59.01375	100.0
60.01707	0.7
70.77116	0.4
70.77460	1.2
81.03426	0.8
95.05079	1.0
96.83331	0.4
97.06577	3.2
135.08173	1.7
147.08167	3.4
147.38789	0.5
151.11296	0.5
151.87918	0.5
163.11325	0.7
165.09174	1.7
181.12357	1.3
207.10304	0.6
214.05881	0.5
215.53358	0.5
225.11301	46.7
226.11603	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	225.1129
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
56.37828	0.8
57.03442	1.2
59.01374	15.1
68.13393	0.8
69.03432	2.1
71.01508	1.7
71.05029	1.1
80.02662	2.9
81.03454	7.4
83.05007	4.6
84.02171	4.9
85.02918	1.4
93.03461	6.8
95.05015	1.4
97.02949	10.6
99.00862	1.6
99.04503	2.1
107.05012	1.7
109.06584	66.4
110.03746	4.4
110.06886	1.4
121.06571	3.3
125.06104	1.2
126.90484	1.5
135.08163	5.9
136.05266	2.5
136.98825	1.0
137.02434	1.7
138.01947	0.9
142.02705	5.2
161.09694	1.8
163.11276	33.5
164.11574	1.3
179.10646	1.3
181.12325	15.3
189.09222	1.9
191.05348	1.0
197.11899	1.4
207.10243	100.0
208.10535	4.3
210.05135	0.9
224.90372	1.3
225.00365	2.4
225.11296	72.9
225.14891	2.0
226.03226	1.6
226.11664	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1495
Annotation	Annuionone E
Peak:m/z	Relative Intensity
50.61136	0.5
59.01373	4.0
60.72432	0.4
61.98828	4.7
63.67192	0.5
70.53396	0.9
71.01377	0.6
76.74992	0.4
83.05001	0.5
89.27222	0.4
93.03456	4.0
126.90482	1.0
133.58086	0.4
137.02455	0.9
137.63225	0.4
138.01967	0.6
163.11302	0.6
163.14908	1.4
178.68893	0.5
178.83412	1.1
181.01312	0.5
181.12328	1.3
181.15933	0.6
195.02925	0.8
195.13892	7.1
197.15446	3.6
204.36885	0.4
206.99373	0.8
207.13882	22.0
208.14285	1.3
224.80258	0.7
224.90596	1.3
225.00392	2.1
225.11313	2.4
225.14935	100.0
225.92680	1.0
226.15294	3.9
236.83119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03441	2.8
57.20024	0.5
59.01363	0.6
59.42401	0.5
65.03965	4.5
68.41469	0.4
71.52409	0.8
72.04543	23.6
72.19044	0.5
73.04871	0.7
80.56318	0.5
82.02974	0.6
83.01391	2.1
90.17487	0.4
94.06643	1.6
95.01359	0.6
96.96030	0.6
109.02896	0.5
121.06572	1.8
136.11284	0.7
137.02408	1.6
138.01932	0.9
138.05600	1.6
139.03989	2.4
152.04820	0.6
152.10759	2.5
154.12363	100.0
155.12709	4.5
165.05478	1.4
180.10277	14.4
182.04570	1.7
182.11842	56.2
183.06587	1.4
183.12230	2.6
212.06805	0.6
226.10823	74.2
227.05675	1.5
227.09094	1.3
227.11139	4.1
227.12915	0.6
227.20224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56050	0.8
57.03436	1.9
65.03957	100.0
66.04286	1.0
67.20706	0.8
69.03446	4.8
71.43465	1.5
81.03452	1.0
93.03433	3.7
95.05015	2.3
99.00859	1.1
101.02443	3.2
102.11359	0.7
104.59793	0.8
106.04223	1.4
107.05042	1.0
119.05019	3.5
121.06586	33.0
122.06959	1.0
126.43456	1.0
139.03998	40.4
140.04391	1.2
165.05556	21.3
183.06599	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	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03449	0.3
58.86980	0.2
70.26388	0.5
86.79896	0.2
89.93426	0.2
98.20568	0.4
111.08158	1.3
159.09021	0.3
165.12837	18.3
166.13173	1.2
183.13890	100.0
184.14331	4.9
189.32906	0.3
190.17010	0.3
191.10909	0.3
209.11780	1.9
215.67320	0.3
227.12871	23.2
228.13173	1.3
230.70921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21374	0.3
59.01369	0.5
69.03436	0.4
69.31799	2.4
69.32203	0.6
70.36877	0.3
71.05015	0.9
80.02680	2.1
81.03460	1.4
83.01376	0.7
83.05019	6.8
84.02162	4.2
88.77763	0.3
93.03411	0.4
95.05037	1.2
106.76498	0.3
111.00932	0.6
125.06064	1.2
135.08170	1.0
138.03775	0.3
139.11267	1.3
147.11784	0.6
163.11287	4.5
165.12825	4.2
165.14023	0.5
181.12341	1.0
183.00484	0.6
183.13873	1.5
189.39716	0.4
191.10759	1.4
199.13371	1.3
209.11809	100.0
210.12163	4.8
227.03363	0.5
227.07170	0.7
227.12856	7.3
227.20058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
59.01366	0.3
63.00038	0.3
67.82082	0.2
69.73340	1.5
71.05009	0.7
74.96729	0.3
80.02663	1.7
81.03451	1.7
83.01357	0.4
83.05028	6.4
84.02163	3.6
84.05336	0.3
84.48675	0.2
95.05029	0.9
109.06603	0.5
125.06073	0.7
125.09718	0.4
135.08142	0.9
147.11765	0.5
153.12840	0.4
156.78691	0.3
163.11269	5.1
164.11676	0.3
165.12828	3.4
171.13445	0.2
181.12395	0.6
190.46227	0.2
191.10764	1.1
209.11806	100.0
210.12169	5.3
227.07083	0.9
227.12842	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1651
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
52.22016	0.4
59.01367	0.6
61.98829	0.6
71.52228	0.7
73.79462	0.4
78.80209	0.3
81.07086	1.0
95.01358	0.4
97.06581	0.7
99.92583	0.5
139.11313	0.4
141.92949	0.4
153.05498	0.5
165.12811	0.8
180.83157	0.4
181.06554	0.4
181.15996	0.5
183.13881	3.6
189.23222	0.3
197.15451	1.4
209.06110	0.6
209.11807	2.7
209.15392	1.5
219.87901	0.4
225.15005	1.4
226.80086	0.4
227.07109	1.1
227.12827	3.7
227.16501	100.0
228.16820	4.4
234.76947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48669	0.5
55.01875	1.4
57.03442	3.5
62.85223	0.5
64.00185	0.5
71.05013	1.2
71.26113	0.9
72.04543	45.6
73.04900	0.7
82.02986	1.4
82.06659	1.0
83.01393	2.9
98.06113	3.7
100.04045	1.2
101.44638	0.6
121.42543	0.5
140.10788	1.8
154.12367	3.8
156.13925	100.0
157.14294	3.8
182.11855	17.5
183.12285	0.8
184.13405	62.8
185.13727	2.3
228.12379	64.4
229.10472	0.9
229.12708	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	228.1239
Annotation	crotonyl-L-carnitine
Peak:m/z	Relative Intensity
53.48669	0.5
55.01875	1.4
57.03442	3.5
62.85223	0.5
64.00185	0.5
71.05013	1.2
71.26113	0.9
72.04543	45.6
73.04900	0.7
82.02986	1.4
82.06659	1.0
83.01393	2.9
98.06113	3.7
100.04045	1.2
101.44638	0.6
121.42543	0.5
140.10788	1.8
154.12367	3.8
156.13925	100.0
157.14294	3.8
182.11855	17.5
183.12285	0.8
184.13405	62.8
185.13727	2.3
228.12379	64.4
229.10472	0.9
229.12708	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.01249	0.2
57.03442	1.6
69.03439	0.2
71.05011	0.8
72.47990	0.2
83.04988	0.5
84.02166	0.4
85.02934	1.0
97.06554	0.5
98.20651	0.7
100.26789	0.3
102.97258	0.3
112.16859	0.2
125.09713	2.4
127.11278	4.2
154.29088	0.2
155.14413	2.0
165.12837	0.7
167.14384	1.4
171.10262	4.4
183.13858	1.0
185.11771	0.6
201.14948	0.6
203.17133	0.2
209.11839	2.7
211.13388	7.0
212.13716	0.4
229.14420	100.0
230.14786	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03429	1.0
60.65670	0.5
68.56513	0.5
69.40951	3.6
69.41353	1.0
79.76381	0.5
83.05012	0.7
98.20635	0.7
125.09689	1.3
127.11274	4.2
129.35327	0.5
153.12808	1.3
155.10750	4.1
155.14413	0.7
167.14336	1.3
171.10263	3.4
174.97447	0.5
181.12363	2.6
183.10201	1.0
183.13910	0.9
193.12384	0.9
199.13385	8.2
201.11299	1.6
209.11844	2.7
211.13399	9.7
229.14424	100.0
230.14787	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
60.65670	0.5
68.56513	0.5
69.40951	3.6
69.41353	1.0
79.76381	0.5
83.05012	0.7
98.20635	0.7
125.09689	1.3
127.11274	4.2
129.35327	0.5
153.12808	1.3
155.10750	4.1
155.14413	0.7
167.14336	1.3
171.10263	3.4
174.97447	0.5
181.12363	2.6
183.10201	1.0
183.13910	0.9
193.12384	0.9
199.13385	8.2
201.11299	1.6
209.11844	2.7
211.13399	9.7
229.14424	100.0
230.14787	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	231.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68642	0.5
59.01376	100.0
60.01710	1.1
70.78636	1.4
108.02168	8.8
123.04501	3.2
124.09013	0.6
148.50674	0.6
153.05571	14.1
153.06763	1.1
235.70760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70090	0.2
57.03440	1.6
59.01376	2.4
69.37278	1.5
69.37688	0.6
75.50970	0.2
79.05539	0.4
81.03403	0.3
83.05023	8.6
93.07101	0.3
95.05021	1.0
107.05010	1.0
109.06580	0.8
111.08119	1.1
116.72417	0.3
121.06601	1.5
123.08175	1.7
135.08173	0.4
137.09676	0.3
137.30989	0.3
147.04514	0.8
147.08147	10.2
147.11578	0.3
148.08472	0.3
149.05975	0.3
153.05559	0.4
155.13611	0.3
159.08113	1.6
161.06049	0.8
161.09709	2.7
171.08179	1.0
173.09706	3.5
174.06853	0.8
183.08101	1.5
185.13205	0.3
187.07581	0.4
187.11288	2.7
189.09206	1.1
189.12828	3.4
197.09717	2.6
198.10460	1.1
199.07603	2.1
199.75211	0.3
201.09187	1.1
203.14392	2.4
203.79370	0.3
211.11293	0.5
213.12833	6.4
214.09966	2.8
215.10738	32.9
216.11205	2.6
217.12216	0.5
229.12308	3.9
231.13870	100.0
232.14224	5.7
245.11797	7.2
246.12158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09187	1.5
54.75559	1.4
55.01868	1.9
56.50315	1.7
57.03442	12.7
59.01377	100.0
65.63221	1.5
67.01869	7.1
68.99821	2.5
69.73130	7.6
71.01375	52.8
72.99286	3.2
73.02945	9.0
83.01386	16.7
85.02950	14.0
87.00879	4.0
93.03450	5.8
98.19933	1.8
99.00877	31.5
101.02428	5.6
101.06066	4.8
106.85947	1.7
110.03726	2.7
111.00885	25.1
111.04501	4.1
115.00364	3.0
125.06056	4.5
129.01941	33.0
155.07123	7.6
167.46262	1.7
173.00827	4.7
173.04533	7.2
233.10309	3.0
233.15443	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	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	14.6
59.01376	100.0
61.80332	2.4
61.98824	2.2
66.56061	1.8
67.01883	5.9
68.99831	2.6
71.01379	58.5
72.99290	2.2
73.02946	12.1
73.66025	2.0
78.09504	2.2
81.03442	3.0
83.01382	10.6
85.02940	12.1
93.03461	5.8
99.00874	26.7
101.01790	2.0
101.02408	4.8
104.05084	2.1
110.03737	3.2
111.00268	2.5
111.00881	24.6
111.04568	3.3
114.01905	2.6
115.00354	10.7
116.05077	14.8
118.06642	12.0
125.06042	9.0
129.01941	29.6
132.01164	2.3
135.95564	2.5
155.07146	12.4
160.89215	3.7
173.00891	5.8
173.04558	5.6
175.83173	2.5
190.08673	6.2
191.94536	2.5
233.15387	15.4
234.07680	5.8
237.28127	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	233.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52781	0.3
56.52925	0.3
59.01370	4.7
59.96734	0.4
60.97492	0.4
63.73559	0.2
69.31721	0.8
69.32140	1.3
74.99062	6.4
74.99464	0.4
75.96238	0.3
91.02203	0.7
93.00124	1.2
93.03427	0.7
113.88293	0.2
118.95505	0.4
118.96167	1.3
134.99393	6.3
136.97337	1.5
141.07297	0.4
143.05342	1.4
149.00940	61.7
150.00925	2.7
150.98839	0.6
159.08456	2.0
160.72078	0.4
161.06381	2.6
173.04550	0.8
188.45682	0.3
201.04115	0.4
215.05589	1.0
217.07178	86.9
218.07283	4.9
226.02046	0.2
233.10307	100.0
234.10445	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	236.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
65.86983	0.4
70.26114	1.7
87.00871	100.0
88.01212	1.1
95.27576	0.4
98.19945	0.4
144.04521	2.0
146.06096	4.5
178.56526	0.5
191.83331	0.5
236.05452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
59.36929	0.2
61.98819	0.9
62.84777	0.2
68.58804	0.2
69.29463	0.4
69.29867	1.0
73.69035	0.2
98.20599	0.3
99.31607	0.2
99.59393	0.2
102.06104	0.2
121.02932	0.3
134.03735	0.5
135.04553	0.3
136.05289	0.4
148.05286	6.6
149.06038	0.5
149.09717	0.8
156.38727	0.2
162.06757	0.3
175.07690	0.2
176.08447	0.5
177.09189	36.3
178.09550	1.2
190.09973	1.6
191.10783	0.7
192.11537	27.4
193.11900	1.4
201.09270	0.4
203.07146	0.6
206.09409	0.3
217.08656	2.6
218.09450	7.3
218.11592	0.4
218.99356	0.3
219.09979	0.3
236.10507	100.0
237.10878	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	237.0615
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03448	0.9
59.01368	1.4
70.78459	0.8
70.78806	0.5
71.01383	0.4
75.00858	1.1
78.95912	0.5
84.29562	0.4
84.57382	0.4
85.02951	0.9
87.00869	100.0
88.01202	1.0
96.45782	0.4
129.01932	12.0
138.64114	0.4
141.15120	0.4
169.48070	0.4
210.97398	0.4
231.84818	0.4
237.06131	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	239.077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24813	2.3
57.54298	1.8
58.00567	2.2
59.01376	100.0
62.00558	1.9
70.67264	5.3
71.01365	7.1
71.56752	2.2
72.99307	2.1
73.02884	2.1
77.64722	1.8
85.02947	2.4
87.00873	19.0
89.02454	10.1
91.53139	1.8
93.77176	2.1
96.68191	2.1
99.00869	4.2
101.02419	4.5
113.02458	2.5
117.01911	4.3
120.42482	2.4
125.02471	3.1
136.12907	2.1
141.01900	2.8
161.04529	19.4
167.12610	1.9
179.05597	91.9
180.05914	2.9
239.07722	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1287
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
51.52057	0.5
59.01382	4.8
61.09126	0.5
69.72916	3.3
71.01385	0.6
87.00906	1.0
95.05042	0.5
101.06079	7.7
109.06580	5.7
111.08146	5.3
113.09077	0.5
114.67819	0.5
120.79086	0.5
125.09742	0.9
135.11768	0.7
138.06781	0.8
139.03999	12.3
151.11166	0.5
154.06349	30.6
155.06665	1.3
161.04544	0.8
167.14404	10.6
179.05611	4.6
179.10753	4.0
181.05330	0.5
182.05817	3.7
185.15437	0.7
195.13882	100.0
196.14169	4.4
239.12836	9.9
240.13222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61738	1.2
54.37443	1.3
59.01367	4.6
61.98827	50.6
68.99266	1.2
71.52608	2.4
89.03945	2.4
105.03452	3.7
129.06502	1.3
133.02963	10.4
149.02411	1.8
177.01929	100.0
178.02242	3.2
180.05930	2.7
199.06444	1.5
221.70119	1.2
241.26503	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0716
Annotation	1,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one
Peak:m/z	Relative Intensity
52.47800	0.7
57.03450	0.7
59.01379	6.7
61.98817	2.4
66.15362	0.7
69.03438	1.7
69.18697	5.8
81.03445	2.2
85.02939	0.9
87.00877	8.5
95.02768	0.7
95.05030	4.5
97.02955	3.0
99.04494	0.8
106.04221	0.8
107.05029	6.4
108.02171	57.8
109.03020	5.2
109.06559	1.5
109.48640	0.7
110.03712	1.4
111.04484	1.8
112.07685	1.5
118.11208	0.6
121.06592	5.0
122.03734	2.7
123.04523	30.8
123.08139	7.1
124.05323	13.6
125.06126	5.5
125.64853	0.8
127.04012	5.0
131.05118	0.7
135.04526	4.6
136.07637	0.7
137.02417	2.5
137.06087	7.3
139.04015	1.2
139.07645	19.7
149.06068	6.2
151.07635	4.5
152.04782	2.0
153.05571	25.1
153.09189	2.9
167.07100	1.4
175.34425	0.7
197.08205	0.9
198.07664	0.8
223.06194	0.8
241.07156	100.0
242.07494	3.8
242.09639	0.8
257.94925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1807
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
53.05769	0.7
57.03470	1.0
59.01384	4.3
60.18284	0.6
61.48867	0.8
61.49169	0.7
61.98825	24.5
66.03471	1.5
66.88223	0.7
69.36237	5.7
83.05022	0.9
98.19811	1.2
99.08136	1.8
103.92017	2.0
109.02930	1.1
118.91805	0.9
123.08150	1.8
125.09703	1.0
141.09204	15.3
149.91304	0.7
155.99315	0.7
178.99800	0.9
181.06180	0.9
195.90511	0.9
197.11772	2.2
197.15413	2.8
204.97780	0.8
205.15913	1.7
213.91667	0.8
223.17007	18.1
224.17390	1.2
240.99869	1.3
241.05089	1.2
241.14577	4.6
241.18062	100.0
242.18372	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	242.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41556	1.1
51.60320	1.0
51.87974	0.9
54.57611	0.8
61.98829	100.0
70.06168	3.7
70.06499	0.9
74.05962	0.8
80.66953	0.9
86.58257	1.0
110.86522	0.8
185.59793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92508	0.6
59.01374	1.2
66.03487	13.1
68.01398	2.0
71.01380	2.1
71.50662	1.5
81.38057	0.8
82.02982	27.7
83.01395	1.7
94.02994	2.0
96.04558	2.1
108.04567	3.4
110.02477	100.0
111.00841	0.9
111.02003	8.7
111.02790	1.7
112.98810	2.1
117.01899	1.1
117.61579	0.7
122.02467	9.8
124.04043	3.0
124.94863	0.7
126.05560	0.8
129.62283	0.7
132.03075	0.9
138.02011	1.1
138.05580	1.0
140.03517	11.8
142.99883	1.0
152.03532	22.7
153.03061	12.3
164.03539	0.8
173.00966	1.3
182.04623	1.3
183.01421	0.9
199.08095	0.9
200.05629	47.7
200.64285	0.8
201.05969	1.4
205.03473	0.9
243.06210	43.8
243.08434	1.5
244.06555	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45036	0.9
50.61113	0.9
54.31864	1.0
56.02916	1.0
59.01365	3.4
61.98829	48.2
65.00313	1.8
66.91640	1.1
67.01873	3.8
70.41717	3.4
72.60989	1.1
86.15727	1.3
91.01892	52.5
92.02218	1.6
99.00897	1.2
99.92554	8.3
100.46945	1.2
111.00877	5.6
111.29997	1.1
112.98832	1.1
135.00882	100.0
136.01199	2.5
137.02388	1.2
139.11258	1.5
153.01924	3.4
154.99834	1.6
170.04747	1.2
197.90643	5.9
201.38853	1.0
225.11185	1.7
243.02838	3.2
243.06503	1.1
243.12306	3.2
243.15933	4.5
243.19675	1.7
243.89961	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	243.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.0
61.98825	44.5
67.01895	3.6
71.52161	1.8
83.05000	1.5
99.92599	3.3
110.02476	1.5
111.00842	2.4
114.11057	1.2
135.14659	1.2
154.99855	2.1
171.04530	1.3
183.10243	1.3
183.13892	8.4
193.12297	2.7
197.90617	7.2
211.13379	100.0
212.13690	4.5
223.26144	1.3
230.95912	1.3
243.03040	2.8
243.06525	3.7
243.10246	4.3
243.12312	3.7
243.15884	2.8
243.89932	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	243.16
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.8
61.98828	20.6
67.01868	1.4
71.53178	0.7
83.05013	0.7
88.99141	0.6
97.09686	0.6
99.92575	3.1
110.02425	1.3
111.00863	2.0
125.09690	2.0
139.11295	0.8
154.99806	0.6
165.80537	0.7
170.99405	0.5
171.10268	1.2
197.90636	2.3
200.13094	0.7
208.27507	0.6
211.13341	7.2
225.11409	0.7
225.14944	0.5
243.02901	1.5
243.08160	2.6
243.15981	100.0
243.89806	3.6
244.16322	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	243.1599
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
59.01354	1.4
61.98825	17.1
67.01882	1.6
71.53174	0.5
83.01392	0.5
83.05074	0.5
99.92591	4.1
110.02444	1.1
111.00863	2.1
125.09718	0.8
154.99802	0.6
181.15923	0.5
197.15398	0.5
197.90546	2.2
199.07692	1.1
202.58760	0.5
211.13373	3.6
225.05490	0.6
225.14902	0.6
227.02449	0.9
229.10002	0.5
243.02968	1.3
243.06529	1.3
243.15990	100.0
243.89931	3.9
244.16327	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	245.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82639	0.5
59.01377	40.8
69.44845	3.9
117.25921	0.5
127.11276	3.6
135.20441	0.5
139.11296	1.9
155.10732	2.8
157.12335	17.4
185.10481	0.3
185.11815	16.9
203.12872	100.0
204.13188	3.9
239.16740	0.5
245.04831	0.8
245.13898	7.1
265.85727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1494
Annotation	Sch 601254
Peak:m/z	Relative Intensity
54.95616	2.1
59.01374	14.3
59.01640	2.4
61.98824	10.2
62.95119	1.9
69.03455	22.6
71.01366	3.4
71.38057	3.5
76.46330	2.2
79.41321	2.1
90.94748	2.2
95.05034	2.2
97.06573	2.1
117.03454	3.9
121.02950	5.0
133.02859	2.5
159.04541	2.5
161.02411	5.3
167.10727	2.6
175.03984	2.7
177.01892	2.5
177.96768	3.6
193.12376	4.8
204.04250	48.9
205.04633	3.7
205.12277	7.1
205.15953	10.2
219.06610	23.8
221.15433	14.1
231.13887	29.1
234.05212	2.2
248.97198	3.0
249.07738	15.1
249.11194	4.9
249.14934	100.0
250.14510	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	249.1858
Annotation	9-Oxo-2beta-methoxyclovane
Peak:m/z	Relative Intensity
57.85685	1.0
59.01373	4.4
61.98812	3.0
64.28085	0.9
67.76720	0.9
68.99558	1.3
71.51445	1.1
71.51799	1.3
73.02904	0.9
80.69535	0.9
98.27895	0.8
112.98544	2.4
117.03463	2.8
133.02913	1.1
154.97417	1.3
155.67279	0.9
159.04504	1.0
161.02403	2.7
173.76324	0.9
182.58028	0.9
184.50325	2.0
184.99983	1.1
189.80232	1.0
204.04276	10.6
205.16014	1.1
219.06628	6.5
248.57996	1.2
248.97252	3.1
249.00304	1.5
249.07700	4.1
249.14729	3.9
249.18576	100.0
250.14487	21.0
250.18703	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	251.056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50113	0.6
54.20374	0.7
57.03456	0.9
59.01369	4.9
63.13671	0.7
63.86567	0.7
65.04585	0.6
65.18379	0.7
70.85236	1.0
70.85564	1.6
72.99306	4.2
73.88236	0.8
75.00864	2.0
80.05108	0.7
85.02974	1.1
87.00873	14.8
104.05024	1.0
105.01933	100.0
106.02305	0.8
117.03461	3.3
117.66499	0.8
119.05023	54.2
120.05367	1.3
132.04561	1.2
135.04565	1.0
140.35345	0.8
140.55212	0.7
142.93835	0.7
145.01880	1.4
145.02963	16.1
145.04088	0.7
161.04651	0.9
163.04005	85.6
164.04361	2.6
179.03517	1.2
182.64297	0.7
208.05966	1.0
251.05725	2.5
251.09352	1.6
252.05064	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78027	0.5
51.91072	0.6
59.01375	100.0
60.01718	0.8
62.05715	0.6
64.26726	0.6
69.58065	2.9
69.58462	1.6
71.01400	1.7
72.05697	0.7
98.20611	1.3
101.02460	1.7
158.15358	0.7
161.04549	1.8
181.03554	1.1
193.07144	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	253.0927
Annotation	2-O-(alpha-D-Glucopyranosyl)glycerol
Peak:m/z	Relative Intensity
59.01377	100.0
60.01703	1.1
61.98820	5.8
64.44024	0.6
64.80033	0.6
69.29290	0.6
71.01389	1.9
72.99310	1.0
73.02957	0.7
77.85414	0.6
82.04731	0.5
85.02961	1.2
89.02454	1.1
94.93449	0.6
101.02415	2.8
113.02442	1.0
143.14876	0.6
153.76108	0.5
161.04594	1.2
193.07173	6.2
202.39880	0.6
210.50960	0.6
226.03893	0.6
228.98178	0.7
253.09373	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	254.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08672	0.3
54.37560	0.3
59.01373	3.8
60.01706	0.8
61.98827	100.0
69.99714	0.9
77.77196	0.2
98.20685	0.3
112.70238	0.3
127.01111	0.2
138.82048	0.3
142.99849	0.7
143.45441	0.3
165.05476	0.3
188.05501	0.3
190.29225	0.3
191.05647	0.3
212.47675	0.3
254.03867	0.3
255.05338	0.4
255.23314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
59.01369	2.3
66.18168	0.7
67.01884	1.1
70.77164	1.0
70.77482	1.6
72.04543	4.1
73.48202	0.9
81.02200	2.9
82.02982	10.7
83.01377	8.3
87.00850	0.9
96.08176	0.8
97.35776	0.7
98.02473	12.8
99.00880	2.7
105.06976	0.7
110.02467	1.6
111.03270	2.7
127.00368	8.7
130.08730	100.0
131.09084	2.8
140.07176	6.0
140.10733	1.0
142.12352	7.4
144.59726	0.7
150.09215	1.4
150.64053	0.8
152.10794	20.0
168.10284	11.5
169.10489	1.1
170.11908	0.9
171.30182	0.8
196.09766	21.3
197.10210	1.0
211.34468	0.9
212.09265	67.6
213.09633	4.3
213.94058	0.7
214.10768	4.2
218.44704	0.8
234.55182	0.7
240.08751	50.2
241.09091	2.6
258.09775	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	259.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	12.1
59.01389	8.4
59.49582	3.6
65.03956	31.0
65.60918	3.8
68.99833	3.9
71.01380	32.8
71.51137	5.6
72.99290	4.8
73.02946	4.7
73.41772	3.4
76.12511	3.3
78.70097	3.6
78.91901	8.9
78.95904	39.6
83.01380	13.6
83.48736	3.1
85.02947	11.1
87.00862	12.7
87.05685	3.6
88.98808	5.8
92.97233	3.5
95.83713	4.0
96.96021	7.4
96.96957	18.2
99.00877	41.9
101.02434	4.5
103.66057	3.2
109.20731	4.0
111.00871	48.4
112.98077	7.1
112.98812	100.0
115.00348	6.9
121.06595	7.8
129.01945	32.9
139.04034	26.2
145.01411	10.3
147.02913	5.6
165.05559	9.3
173.00902	36.5
183.06575	38.0
191.01947	10.3
205.03474	6.9
216.96623	3.6
241.01237	5.5
259.02185	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	261.0071
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
50.23320	0.5
59.01378	5.7
63.03929	0.5
71.21691	1.0
71.22021	0.7
72.99302	12.3
74.02461	0.7
75.00871	2.0
79.95732	7.9
80.96518	1.1
81.03451	2.0
85.02938	0.7
90.89275	0.6
93.03455	20.2
95.05006	0.7
96.96002	2.3
107.05012	2.2
118.91311	0.5
119.05020	39.0
120.05348	0.8
125.09752	0.7
133.03972	0.6
134.03732	1.4
135.04510	23.3
137.06041	1.2
143.10741	2.1
163.03996	31.3
164.04411	0.8
179.53053	0.5
180.32468	0.5
181.05051	80.1
182.05351	2.7
198.98962	0.9
199.00699	12.6
199.02538	0.7
201.11223	1.1
211.44943	0.5
215.00165	6.8
219.12355	12.2
222.97778	0.7
261.00711	100.0
261.13385	2.3
261.22513	0.7
262.00912	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	261.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.3
59.01375	33.4
60.01705	0.3
69.03462	0.7
70.02991	0.5
71.05032	0.6
71.51622	0.4
72.99304	0.7
73.02945	0.4
74.02464	2.1
75.00871	4.2
85.06609	0.8
85.78140	0.4
97.06594	1.2
98.02482	0.4
99.08121	0.6
107.08665	0.5
109.06602	1.3
111.08150	3.8
112.18462	0.3
113.09710	0.6
116.03552	1.7
123.08178	0.7
125.09711	5.8
126.10060	0.4
127.07643	0.9
132.04585	0.8
137.09691	0.4
141.09187	3.4
143.10773	12.2
153.09204	0.4
155.10803	1.7
157.12323	3.8
173.11787	1.0
201.11307	12.1
202.11665	0.7
219.12352	100.0
220.12694	3.6
261.08832	1.1
261.13394	24.2
262.13733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37973	0.8
59.01376	100.0
60.01703	1.1
71.53135	1.1
95.80163	0.7
168.51801	0.8
170.71516	1.0
263.09296	1.2
266.80264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01725	0.8
71.01376	0.9
73.02957	0.6
78.90952	0.6
98.19851	1.0
101.02432	0.6
111.00896	0.8
113.02454	0.9
116.30573	0.5
219.14177	0.7
229.15598	0.6
263.02472	0.7
263.09375	1.2
263.12729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97406	0.4
59.01377	100.0
60.01703	0.9
71.01392	1.1
73.02969	1.1
98.20624	1.2
101.02442	0.7
104.69308	0.4
105.15990	0.5
113.02486	0.5
135.04192	0.4
151.79945	0.4
186.17021	0.5
219.13989	0.5
263.12866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40452	0.4
59.01376	100.0
60.01719	0.8
71.01384	1.3
73.02974	0.7
85.02972	0.7
93.03452	2.7
108.79037	0.4
132.02235	0.6
133.02956	5.5
133.03798	0.6
134.03703	2.4
135.71037	0.6
137.02461	0.7
147.04504	2.7
161.02431	17.3
173.04535	9.5
179.03584	0.6
183.04771	1.3
189.33839	0.5
191.05650	1.2
193.05122	1.7
252.29771	0.6
253.93439	0.5
283.17422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19281	0.3
59.01376	100.0
60.01714	1.1
69.03823	0.3
69.31210	0.6
69.31611	2.2
73.02951	0.9
83.01364	0.3
87.65720	0.3
103.70031	0.3
113.36187	0.3
143.84662	0.4
161.04807	0.4
173.93604	0.4
200.34795	0.4
267.41562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97972	0.3
59.01376	100.0
60.01722	0.7
69.59598	2.0
71.01396	0.5
73.02943	0.4
84.43010	0.3
88.37524	0.3
101.02439	0.5
130.55557	0.3
240.68774	0.3
255.27095	0.3
260.62811	0.3
262.98825	0.4
263.05682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
69.20725	5.2
69.21132	2.0
71.01363	0.7
73.02937	1.1
80.32205	0.6
135.88091	0.6
189.90749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1286
Annotation	Phomenone
Peak:m/z	Relative Intensity
51.35824	1.9
57.03442	4.0
59.01379	28.8
60.61176	2.0
69.16724	19.9
69.77917	2.0
71.01369	7.9
83.05032	3.6
95.05003	2.2
97.02937	10.8
97.06602	2.5
104.45273	1.9
105.07117	4.6
106.23042	2.0
107.05054	3.5
108.05798	6.7
109.02943	8.2
109.06599	5.4
111.04510	16.7
113.06082	11.9
119.08659	3.6
121.02914	2.0
121.06581	3.0
121.10738	1.9
122.03725	9.2
123.08153	7.1
125.06075	22.6
136.05301	17.8
137.06073	9.6
138.06863	17.6
139.07649	36.6
148.05287	7.7
149.06065	6.8
151.07651	82.9
152.04755	7.4
152.08423	42.9
153.09244	16.3
159.11812	5.6
161.09695	9.2
163.07635	14.5
167.07109	4.5
186.10442	4.3
188.08360	2.7
189.09192	6.7
201.12872	35.5
203.10774	25.2
204.11533	65.1
219.13889	100.0
220.14284	4.2
263.12888	14.8
263.15256	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	263.2013
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01377	3.2
71.15061	1.1
71.15393	0.7
111.00845	0.7
131.10625	0.5
141.93530	0.6
144.46873	0.5
177.02281	0.6
259.24396	0.6
263.20123	100.0
264.20490	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	264.0875
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
55.47063	0.6
58.39437	0.6
59.01374	3.3
61.98822	5.2
71.01367	2.2
71.51089	0.9
72.04544	22.2
73.02975	0.7
82.02979	100.0
83.01379	1.2
83.03308	1.4
85.02984	0.8
98.02472	32.8
100.04039	38.1
101.02448	1.3
101.04389	0.9
101.25434	0.7
106.04233	1.3
107.04996	1.1
115.95341	0.7
119.05022	41.8
120.05360	1.0
131.93315	0.6
161.04539	0.7
167.77571	0.6
169.33594	0.7
192.10306	6.6
218.08202	11.6
220.09772	20.0
221.10094	1.4
236.09352	0.8
246.07736	1.0
264.08734	66.9
265.09308	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	265.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03439	1.6
58.00578	3.5
58.26331	1.0
58.52227	0.9
59.01375	100.0
61.98814	1.6
67.88687	1.2
70.34448	3.4
71.01377	53.9
71.61322	1.3
72.99291	4.1
73.02939	2.1
83.01376	1.7
85.02944	50.3
87.00873	4.0
89.02438	72.1
95.01380	4.4
101.01801	2.3
101.02430	29.6
103.03970	1.8
108.02170	2.0
111.00925	5.2
113.02446	23.1
119.03497	29.9
120.88537	1.1
131.03499	2.1
134.04727	18.6
143.03499	6.1
149.04507	1.8
161.02463	1.4
161.04553	3.8
164.04765	1.9
165.06673	2.8
178.68779	1.0
179.03467	1.3
179.05568	8.7
179.07056	2.2
265.06866	1.6
265.09317	20.7
266.09271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.3
62.54423	0.3
66.39664	0.3
70.70238	0.8
79.95721	2.2
95.95256	0.9
96.96005	100.0
108.55238	0.4
155.40018	0.2
185.33691	0.3
262.74469	0.3
265.14755	77.8
266.15073	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	267.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99282	0.4
57.92125	0.4
59.01370	4.1
61.98803	0.5
69.13338	1.1
69.13753	3.0
71.01373	1.2
72.99298	5.0
73.02943	0.5
75.00870	2.5
85.02943	1.6
87.00877	1.1
89.02469	0.5
96.95999	0.4
98.30949	0.4
99.00897	0.3
99.04549	0.4
101.02427	0.5
105.01927	100.0
105.29078	0.3
106.02274	1.3
113.02451	1.9
121.06548	0.4
123.04516	0.6
131.12013	0.4
133.02946	7.2
133.06462	0.4
134.03670	0.6
135.04524	4.5
136.01624	0.4
151.03990	0.5
153.05647	0.5
161.02429	35.4
162.02760	1.9
162.57391	0.4
163.04071	0.6
163.07594	0.5
179.03471	2.1
205.12178	0.4
223.09766	0.4
224.12880	1.3
230.30467	0.4
267.01471	0.4
267.02695	0.3
267.05005	1.3
267.07242	3.4
267.12442	0.7
268.12061	0.5
289.79099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.072
Annotation	2-O-(alpha-D-Glucopyranosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.01875	1.0
57.03437	2.7
59.01373	21.9
66.94602	0.7
69.03445	1.1
71.01377	24.2
71.50531	1.0
72.01713	0.8
72.99303	3.0
73.02945	1.5
75.00868	11.7
85.02946	21.0
85.03468	1.0
87.00869	18.6
89.02436	10.2
91.04036	0.8
95.01366	4.2
99.00850	5.0
101.02420	4.3
103.00359	2.2
105.01926	3.8
109.85389	0.8
113.02442	26.9
114.02816	0.8
115.00369	1.2
117.01945	2.2
123.52663	0.8
129.01932	2.5
131.80362	0.7
139.18228	0.8
149.04507	1.0
162.92911	0.8
175.02426	1.3
207.05070	1.6
210.79393	0.8
237.06134	1.4
249.06105	3.9
252.78024	0.7
255.76984	0.8
262.51978	0.7
267.07178	100.0
268.07623	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	267.1235
Annotation	G3
Peak:m/z	Relative Intensity
57.03161	1.9
57.03446	37.7
59.01364	1.3
63.52277	0.8
69.03444	2.4
71.01327	1.5
71.52071	1.2
77.21056	0.8
80.23074	0.9
95.05012	2.2
97.02950	8.4
97.06575	7.4
102.27135	0.8
107.04958	0.9
109.06582	9.8
123.00925	1.1
123.08148	5.3
125.09712	52.5
126.10052	2.0
137.09721	13.0
165.12875	2.2
175.11261	21.3
176.11577	1.5
177.12808	5.5
179.10703	0.9
179.14461	1.5
193.12251	2.4
195.13885	12.9
205.12315	9.3
221.11803	4.2
223.13322	3.5
251.27243	0.9
267.12338	100.0
268.12695	6.0
282.89584	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02392	8.5
64.02721	0.5
65.00318	13.9
65.46972	0.4
66.00667	0.6
69.38543	1.7
69.38963	1.7
83.01380	9.2
90.38728	0.5
93.03449	11.8
93.50810	0.5
98.19856	0.8
107.01382	24.0
119.05017	70.4
120.05332	2.6
121.32732	0.5
125.02461	0.9
143.04971	0.8
145.02945	1.2
151.00352	65.4
152.00693	1.4
161.06044	1.5
165.01872	3.3
169.01389	1.3
177.01920	9.5
177.05586	0.5
185.06088	1.2
187.03975	2.0
199.81250	0.5
227.07137	1.2
229.04836	0.6
253.05124	0.6
271.06085	100.0
272.06470	6.0
280.13806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.038
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
59.01367	0.4
60.23076	0.2
63.88154	0.1
70.36008	0.5
70.36360	0.2
71.01366	0.9
78.95897	67.0
85.02956	0.4
87.00865	0.3
87.91685	0.1
96.96954	3.6
104.72814	0.2
110.98523	54.0
111.98918	0.2
114.98878	0.3
125.00917	0.2
125.02464	0.2
149.00966	0.2
150.98843	0.2
155.57422	0.2
157.03528	0.3
168.99904	0.4
174.20369	0.2
174.99254	0.2
185.02002	0.5
187.00859	0.2
193.00008	0.2
200.16257	0.2
205.18349	0.2
206.60689	0.2
211.00960	0.3
223.00111	0.3
229.00230	0.3
241.01161	15.8
242.01483	0.6
243.94331	0.2
273.03775	100.0
274.04117	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1242
Annotation	Terezine A
Peak:m/z	Relative Intensity
59.24235	0.3
62.12945	0.2
74.55894	0.3
84.04555	0.4
88.13866	0.3
90.03496	0.5
94.02971	0.9
94.06597	0.9
96.08176	0.7
97.01698	0.3
101.26166	0.3
103.04295	0.3
104.05058	1.9
108.04531	0.5
109.05289	0.3
118.02994	1.0
120.04520	0.6
121.05279	0.3
122.06102	6.1
124.04029	0.6
124.07668	5.8
130.02946	0.6
131.03731	0.7
136.07669	13.8
137.04860	0.4
140.07179	0.4
143.20534	0.3
148.04057	0.7
149.04765	0.8
150.05621	2.3
152.07098	0.3
153.47447	0.3
160.69655	0.3
161.07201	0.4
164.03543	3.2
168.06592	0.8
181.03780	1.0
182.06177	0.3
185.07190	2.4
187.05145	0.5
191.60878	0.3
194.04666	0.4
196.07660	3.1
197.07179	0.9
198.04326	2.1
198.07939	0.4
200.07057	0.4
200.10751	0.7
210.09264	0.4
211.05013	0.7
211.08713	0.6
212.05940	0.5
212.09258	0.6
212.10860	0.8
213.10307	0.4
225.06635	3.2
225.10236	0.4
226.07399	1.6
226.11075	0.4
227.08214	9.3
227.11862	1.2
228.08464	0.3
228.10500	0.5
229.13284	0.5
230.11769	0.6
237.10316	1.2
238.08759	0.7
239.08220	4.4
240.09015	6.0
241.09497	0.5
243.11313	4.7
244.08398	0.4
254.10458	0.4
255.11356	30.6
256.11777	1.9
258.10144	0.8
272.07996	1.0
273.12408	100.0
274.12738	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	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.14407	0.5
59.01372	1.2
66.34372	0.5
70.82670	1.1
70.82990	0.5
71.39578	0.4
72.83704	0.7
104.38638	0.6
136.49921	0.6
140.42238	0.6
178.27840	0.5
221.29440	0.5
277.21692	100.0
278.22025	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	277.2167
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.31711	0.2
53.51957	0.2
56.47321	0.2
59.01376	3.7
61.98829	0.3
68.21560	0.2
68.99789	0.4
70.52506	0.2
70.52876	0.6
71.01354	0.6
78.35993	0.2
83.05020	0.2
89.00378	0.3
100.20419	0.2
121.02919	0.6
127.07587	0.4
129.83435	0.2
135.74844	0.2
144.77057	0.2
200.47194	0.2
205.15891	0.6
205.19574	0.3
233.19160	0.3
233.22705	0.5
259.20651	0.6
265.34573	0.2
275.20053	0.3
277.18396	5.5
277.21680	100.0
278.22043	8.3
295.38547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
64.10886	0.5
71.01382	20.0
71.01782	1.1
71.52604	1.0
71.53009	1.0
85.54446	0.6
93.03443	0.9
109.24495	0.6
115.00374	9.5
119.05022	61.4
120.05376	1.9
133.01430	7.5
144.04509	0.6
145.04080	0.7
163.04005	100.0
164.04282	3.7
217.08698	2.3
257.63892	0.6
264.05365	1.2
279.07724	4.4
284.01147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
71.01379	16.0
72.99306	2.6
73.02954	0.8
75.52494	0.5
85.02928	0.7
87.00866	0.7
89.02452	1.9
93.03428	0.6
93.27587	0.5
101.02437	1.2
109.01641	0.7
113.02467	0.9
115.00367	37.1
116.00690	0.6
119.05023	32.3
120.05376	1.3
133.01422	100.0
134.01709	1.5
145.02922	0.9
149.42427	0.6
163.04001	32.6
164.04297	0.9
164.06993	0.5
196.27771	0.5
209.82880	0.5
217.22044	0.6
219.42979	0.5
273.57474	0.5
275.58502	0.4
279.07889	0.5
298.43512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1083
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.17327	0.9
55.57253	1.0
57.03426	2.4
58.00588	3.4
58.60130	1.0
59.01374	100.0
67.26932	1.0
68.99525	0.9
71.01377	55.1
72.99300	1.9
83.01374	2.5
85.02953	11.4
87.00879	2.4
89.02438	68.6
90.02776	1.4
95.01370	2.9
96.82576	1.1
99.00936	1.2
99.04512	8.1
101.02435	33.2
113.02437	25.2
113.03058	0.7
117.05547	6.4
119.03493	32.4
122.99198	1.4
128.37193	1.3
131.03548	2.2
136.76817	1.1
143.03496	3.6
149.04582	1.1
161.04547	3.8
164.74779	1.1
169.60974	0.9
178.49432	1.0
179.05562	8.3
191.78157	1.1
212.58823	1.0
229.16859	1.4
279.10828	62.8
280.11188	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	279.1963
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
59.01373	8.0
61.98798	3.6
63.65670	2.2
64.79755	2.4
71.01347	2.4
71.51716	3.0
82.25617	2.4
109.26527	2.9
121.02925	2.7
185.67125	2.6
189.93086	2.9
195.13837	11.7
205.12305	3.0
207.55820	2.6
216.00182	3.1
223.13365	7.9
261.18558	8.3
279.12381	2.8
279.16522	4.7
279.19659	100.0
279.23145	11.0
280.19980	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	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.53147	0.6
56.28693	0.6
58.60003	0.5
71.35658	1.5
71.43864	0.6
76.76576	0.7
85.45066	0.6
109.39793	0.6
231.49219	0.8
250.61461	0.7
279.23267	100.0
280.23627	9.5
288.41095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23810	0.5
53.92483	0.5
59.01379	1.0
61.98812	1.1
62.92986	0.5
69.85217	2.8
70.75396	0.6
83.99220	0.5
91.01907	0.6
96.95995	0.7
98.19946	0.5
119.01361	0.9
131.40875	0.5
269.07437	0.6
269.86572	0.5
278.97806	0.6
279.23260	100.0
280.23615	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	281.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01326	0.9
54.92309	0.8
55.01882	1.0
55.08697	0.8
57.03426	1.1
59.01381	9.5
71.01377	11.4
71.33217	1.5
72.01662	0.8
72.04544	0.9
72.99289	3.1
73.02942	5.6
75.00869	22.0
75.14902	0.7
82.02982	5.4
83.01376	0.9
84.32483	0.7
85.02958	5.4
87.00867	7.4
87.81614	0.7
89.02448	4.5
93.03468	0.9
95.01376	1.4
98.02477	2.2
100.04032	2.9
101.02430	2.2
113.02435	4.5
116.86901	0.7
117.01935	11.7
118.04239	0.8
119.05019	63.1
120.05365	2.4
121.02941	0.7
124.07632	1.2
133.02899	2.9
134.03789	1.0
134.32953	0.8
135.02991	73.2
135.04449	5.8
136.03236	1.4
136.07658	1.8
145.02922	2.0
149.06033	2.9
161.02431	8.2
163.03999	100.0
164.04324	4.5
177.05536	3.5
179.03485	5.7
189.52350	0.7
197.24594	0.9
219.10388	0.8
221.04608	4.2
229.37660	1.0
235.10808	1.2
281.06665	4.2
281.11432	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	281.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.4
67.59620	0.4
71.01376	1.1
71.52563	0.7
72.99297	0.6
74.00204	0.4
75.00871	4.1
89.02438	0.6
91.36823	0.5
93.03465	1.1
113.02435	0.7
117.01949	0.8
119.05018	58.7
120.05356	1.6
121.02924	0.5
133.01457	0.4
135.02986	20.5
135.04530	1.0
136.03278	0.6
150.09267	0.5
163.03995	100.0
164.04337	4.3
238.10768	0.9
281.03619	0.6
281.06586	1.5
281.09229	0.9
281.13959	0.9
281.24799	0.8
282.09766	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	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51701	0.5
59.01376	7.2
70.53107	1.0
70.53483	1.1
71.01402	2.7
72.99303	3.1
73.02963	0.8
75.00867	25.3
79.37971	0.6
85.02960	0.7
89.02444	5.3
90.28056	0.5
97.74341	0.5
97.95414	0.6
101.02464	1.2
117.01920	1.9
119.05019	26.1
120.05349	1.0
133.02946	0.8
134.03705	1.4
135.02986	100.0
136.03342	2.1
138.05597	1.3
145.02979	1.3
149.06039	0.7
156.59717	0.6
161.02429	1.6
163.03996	42.0
164.04343	1.9
179.03441	1.4
182.06833	0.6
192.06691	0.9
193.05061	0.6
196.99947	0.5
201.12939	0.8
221.04591	1.3
222.08417	0.7
266.06940	0.8
267.06699	0.7
281.06674	1.3
281.09265	5.2
281.13943	1.9
281.24643	1.1
282.09506	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	281.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60572	0.4
55.01874	6.1
57.03447	7.9
58.00589	1.2
59.01375	21.0
60.84471	0.4
67.01888	0.8
68.99809	0.6
69.03442	1.4
69.45744	2.5
71.01377	100.0
72.01722	1.6
72.99297	3.3
73.02940	19.8
75.00863	0.5
77.72398	0.4
83.01382	9.2
83.05020	0.5
84.01727	0.4
84.02165	1.6
85.02946	59.8
86.03283	1.0
87.00868	2.2
89.02439	8.2
89.11800	0.3
91.33096	0.4
95.01385	15.9
96.96024	0.5
96.96954	0.6
97.02961	1.1
98.19955	0.7
99.00876	8.2
101.02436	17.3
103.58926	0.4
111.00842	0.6
113.02443	75.6
114.02805	1.9
119.05021	60.4
120.05345	2.3
125.02425	0.5
135.02975	0.5
137.06084	5.0
137.09683	0.4
143.03468	0.6
149.06085	0.4
151.07674	0.6
161.04543	6.5
163.03993	0.7
165.05550	1.4
175.11295	0.4
179.07118	0.7
181.08679	0.4
193.12312	0.9
209.11841	0.7
219.10176	0.4
221.08113	0.8
237.11333	0.8
237.14999	0.8
238.11043	0.4
239.12758	0.4
263.90817	0.4
281.07288	0.7
281.10303	21.8
281.13873	4.3
282.10712	1.7
282.13913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
65.99814	0.3
66.00958	0.6
71.01384	0.4
71.50956	0.4
76.31256	0.2
78.00947	0.4
82.04108	1.0
83.40707	0.2
84.48519	0.3
89.02467	0.4
101.02471	0.6
107.03629	4.3
108.02032	10.3
126.03082	3.5
133.01550	28.7
134.01862	0.8
134.65782	0.3
150.04198	100.0
151.02736	0.3
151.04675	2.0
164.05754	0.3
238.01161	0.4
282.08408	33.2
283.08603	1.6
283.26389	0.9
290.82202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	46.4
65.28822	2.0
68.71039	2.0
70.86848	4.4
70.87179	2.1
71.01381	16.5
72.99308	3.5
75.00864	78.4
83.01346	1.9
85.02940	4.3
89.02448	21.0
95.01384	3.0
101.02426	15.1
103.00367	100.0
103.38979	2.0
105.41696	2.3
113.02429	8.2
119.03484	5.8
121.05074	7.4
121.78292	2.5
161.04565	8.3
179.05531	5.0
223.08231	5.5
283.10315	19.1
283.26349	2.3
304.28839	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	283.1701
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01365	1.4
59.11538	0.5
61.98823	0.6
78.06087	0.5
81.12846	0.5
98.19868	0.9
106.04225	0.6
107.05022	100.0
108.05375	3.2
123.04488	0.4
131.62924	0.5
163.11275	95.6
164.11604	5.2
164.35765	0.4
268.03812	1.4
283.17007	91.8
283.26355	18.9
284.03265	0.7
284.17365	8.4
284.26776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
57.17524	0.3
59.01368	1.0
59.35090	0.3
62.88128	0.3
63.02393	1.3
65.00322	2.9
69.47034	2.0
81.03444	0.4
81.06506	0.3
83.01372	1.9
102.69427	0.3
105.03458	0.6
106.79095	0.3
107.01382	4.5
112.42786	0.3
121.02924	0.9
125.02435	0.4
132.02197	0.4
133.02954	23.2
133.63202	0.3
134.03328	0.5
135.04561	0.4
137.10033	0.3
147.04553	0.9
149.02440	3.2
151.00359	8.2
152.00754	0.5
155.05037	0.3
161.02405	1.3
161.03694	0.4
161.06006	0.5
171.04503	0.7
173.02426	0.3
175.03992	5.2
176.04192	0.3
185.06047	0.9
187.03902	0.4
189.05580	0.8
195.04677	0.5
198.03200	0.9
199.03986	5.0
201.01929	1.5
206.80627	0.4
211.03961	0.7
213.05573	1.1
215.03372	0.5
217.05020	2.5
223.04111	0.6
229.05032	0.3
239.03365	0.4
241.04959	1.7
243.02902	0.9
257.04486	1.6
267.02890	0.5
285.04019	100.0
286.04367	8.1
286.09167	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	285.0978
Annotation	4-Hydroxybenzyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.48484	1.0
57.03446	2.5
58.00584	3.8
59.01376	100.0
69.03424	1.2
70.52525	1.5
70.52862	2.0
71.01379	48.3
72.99306	4.6
73.02938	1.2
83.01392	1.4
83.05015	1.4
85.02949	6.7
87.00879	3.3
89.02441	78.6
93.03422	1.3
95.01390	3.5
98.20583	1.2
101.02438	20.9
113.02450	20.7
119.03491	26.0
119.04996	1.9
119.74860	1.2
120.99628	5.1
121.02988	1.2
123.04502	3.6
125.02428	2.0
131.03488	2.5
136.03429	1.0
143.03499	5.7
149.04538	2.5
153.05484	1.6
161.04526	6.3
163.04042	1.5
165.05565	2.4
179.03499	5.3
179.05594	17.8
193.05119	1.4
194.05859	3.1
199.06123	1.0
209.08092	6.1
225.15988	3.5
270.08932	2.5
284.26663	3.1
285.04089	2.3
285.09766	14.9
285.13394	4.9
285.27063	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	285.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48484	1.0
57.03446	2.5
58.00584	3.8
59.01376	100.0
69.03424	1.2
70.52525	1.5
70.52862	2.0
71.01379	48.3
72.99306	4.6
73.02938	1.2
83.01392	1.4
83.05015	1.4
85.02949	6.7
87.00879	3.3
89.02441	78.6
93.03422	1.3
95.01390	3.5
98.20583	1.2
101.02438	20.9
113.02450	20.7
119.03491	26.0
119.04996	1.9
119.74860	1.2
120.99628	5.1
121.02988	1.2
123.04502	3.6
125.02428	2.0
131.03488	2.5
136.03429	1.0
143.03499	5.7
149.04538	2.5
153.05484	1.6
161.04526	6.3
163.04042	1.5
165.05565	2.4
179.03499	5.3
179.05594	17.8
193.05119	1.4
194.05859	3.1
199.06123	1.0
209.08092	6.1
225.15988	3.5
270.08932	2.5
284.26663	3.1
285.04089	2.3
285.09766	14.9
285.13394	4.9
285.27063	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	286.2385
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.19109	0.3
58.39336	0.3
59.01374	1.0
61.98819	1.0
68.99571	0.5
69.39407	2.0
69.39814	0.8
70.02966	0.9
74.06110	1.8
76.21197	0.4
79.92078	0.3
112.98611	0.4
117.07079	0.9
118.05093	0.8
126.62508	0.3
143.56403	0.3
195.83063	0.4
211.71298	0.4
225.31578	0.4
240.23329	2.6
242.21220	1.4
268.22745	1.2
272.03281	0.4
284.22559	0.4
286.04269	0.5
286.23843	100.0
287.16882	0.7
287.20157	2.2
287.24191	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	287.0557
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
50.27259	0.5
51.45306	0.4
53.78086	0.4
55.34958	0.5
59.01355	0.5
63.02390	2.2
65.00322	11.1
65.27328	0.4
74.50137	0.4
83.01385	5.9
83.15198	0.4
84.50952	0.5
89.67201	0.4
107.01385	15.4
107.05045	0.8
108.99292	0.5
109.02936	1.8
113.02421	0.4
116.33067	0.4
125.02435	4.3
134.03706	1.4
135.04515	100.0
136.04861	3.4
151.00357	89.8
152.00716	3.3
161.02472	1.3
165.01875	0.6
169.01450	0.6
269.04324	0.6
277.74841	0.4
286.59610	0.9
287.05591	15.9
288.05798	1.5
297.85214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1603
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01358	2.2
61.98809	1.6
68.68331	0.6
73.73901	0.6
81.03454	1.5
83.13673	0.6
91.14409	0.5
92.05004	0.7
93.03432	1.5
99.92587	1.3
102.71494	0.7
103.58208	0.6
107.03767	0.7
108.03905	0.6
108.04521	3.4
109.02924	5.1
119.04992	0.6
134.02470	32.7
135.03307	7.6
136.04034	37.0
137.02402	1.7
137.04347	0.7
148.04030	1.1
149.04759	1.2
176.03499	2.9
253.11943	0.7
288.16022	100.0
289.16174	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	289.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41753	0.5
57.03431	0.7
58.60437	0.4
59.01369	1.8
69.03450	2.5
70.84837	0.6
70.85176	0.9
71.05014	3.6
85.02946	19.8
85.06585	16.6
87.00921	1.1
87.08139	1.5
95.05006	0.5
111.08159	0.7
113.06093	0.7
114.88247	0.5
115.07645	7.1
118.46309	0.5
118.98084	3.3
122.87012	0.5
127.07605	1.4
127.11305	3.3
131.07121	0.5
135.02921	0.4
135.08080	0.5
139.11275	1.4
157.12299	1.7
183.10258	8.6
185.34499	0.5
201.11310	100.0
202.11636	5.8
240.68227	0.5
254.11592	0.5
265.32031	0.5
289.13062	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	289.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41753	0.5
57.03431	0.7
58.60437	0.4
59.01369	1.8
69.03450	2.5
70.84837	0.6
70.85176	0.9
71.05014	3.6
85.02946	19.8
85.06585	16.6
87.00921	1.1
87.08139	1.5
95.05006	0.5
111.08159	0.7
113.06093	0.7
114.88247	0.5
115.07645	7.1
118.46309	0.5
118.98084	3.3
122.87012	0.5
127.07605	1.4
127.11305	3.3
131.07121	0.5
135.02921	0.4
135.08080	0.5
139.11275	1.4
157.12299	1.7
183.10258	8.6
185.34499	0.5
201.11310	100.0
202.11636	5.8
240.68227	0.5
254.11592	0.5
265.32031	0.5
289.13062	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	290.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	1.3
59.46101	1.1
60.36823	1.1
61.98827	100.0
66.84380	1.0
71.52255	2.0
96.96019	1.9
98.12570	1.1
119.29797	1.1
142.33582	1.1
170.72057	1.3
209.60417	1.2
244.96857	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
64.79034	0.8
69.74043	3.6
80.44183	0.8
82.52306	1.0
85.15987	0.7
116.14098	1.0
146.56906	0.9
146.72806	0.8
146.87318	0.8
154.38216	0.8
162.78870	0.9
178.25763	0.8
229.57211	1.1
242.56149	1.4
275.40698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27742	0.5
59.01388	1.2
62.89247	0.4
64.99560	0.4
71.01382	0.5
71.52240	0.6
85.02940	2.5
87.00876	0.5
89.02477	0.4
93.03460	0.7
117.03474	2.4
119.05019	100.0
120.05353	4.9
138.77879	0.4
145.02939	7.1
152.14537	0.4
159.06578	0.4
163.03996	99.7
164.04338	4.2
213.37024	0.4
273.07706	0.8
291.08688	14.2
292.09119	2.0
307.39151	0.4
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
53.46740	0.9
55.01875	1.0
55.66935	1.0
59.01370	2.7
61.98811	2.9
68.99570	1.0
69.34522	2.1
69.34933	6.2
71.04649	1.7
71.05016	26.3
97.06583	7.3
108.89270	0.8
111.08138	1.0
112.98598	1.2
115.92075	1.2
126.67101	0.8
133.06567	1.0
141.12791	1.0
174.62605	1.1
181.12367	2.1
193.12283	1.3
195.13864	1.4
198.36240	1.0
207.13864	1.7
219.13844	3.9
231.12181	1.1
235.16943	3.1
247.20601	3.3
266.42310	0.9
273.18567	2.0
291.19635	100.0
292.19998	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
56.62970	1.9
57.06017	2.0
58.05777	2.3
59.01356	4.4
61.98821	12.9
66.60377	2.2
69.03426	2.7
70.52334	5.7
73.02891	2.1
88.76688	2.4
97.06582	95.2
97.07217	4.5
98.06924	2.6
119.93067	2.1
149.45674	2.1
183.13875	3.6
193.12294	26.1
194.12997	2.5
211.13361	61.1
211.16469	2.4
212.13712	5.5
263.20096	4.6
273.18469	4.7
291.01508	2.4
291.19626	100.0
292.19940	6.7
297.83453	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01375	0.9
61.98822	0.7
62.16803	0.2
70.73759	0.5
70.74072	0.3
82.85170	0.2
82.90179	0.3
84.79725	0.2
119.05025	0.7
125.06061	0.4
141.09192	0.3
148.08916	1.3
150.10484	0.9
151.11256	0.6
163.03973	0.4
163.11273	1.0
165.12834	21.2
166.13155	1.4
175.11206	0.6
176.11981	0.8
177.12712	0.5
189.12886	0.3
191.14427	0.8
217.15912	0.5
247.20642	10.7
248.20992	0.9
262.37579	0.3
273.18555	6.3
274.18927	0.6
291.19632	100.0
292.19974	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	291.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.5
58.29803	0.6
60.47879	0.5
70.83374	0.7
93.07101	1.2
97.06596	1.7
111.08140	0.6
121.09370	0.9
121.10229	13.3
123.08144	1.3
125.09713	6.2
125.74613	0.5
134.78700	0.5
141.12869	0.8
147.08093	0.7
152.32030	0.6
183.55078	0.6
185.11800	13.3
194.61429	0.5
197.11816	3.7
209.11832	1.2
211.13383	2.1
223.13347	1.4
247.20607	1.3
273.18643	1.4
291.19635	100.0
292.19925	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	291.1964
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
58.56556	0.7
61.98828	3.4
70.99809	0.6
72.19878	0.6
73.02940	56.4
74.03289	0.8
105.13081	0.8
110.26427	0.6
162.64265	0.7
163.03946	0.8
166.99092	0.7
191.55876	0.7
202.19522	0.6
223.34744	0.7
291.19638	100.0
292.20020	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	292.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97656	1.3
54.87753	1.3
59.01366	1.5
67.01888	4.0
69.86626	4.5
72.00894	7.6
72.04537	4.1
76.75948	1.3
82.02979	73.0
83.01382	9.6
84.04549	10.6
85.02939	2.1
85.85808	1.3
87.00865	1.6
91.05530	4.7
94.02973	5.1
96.30624	1.5
98.02466	26.2
98.20686	1.8
99.00898	2.1
100.04039	9.8
103.05534	2.0
110.02503	1.7
111.03252	18.6
118.06615	8.4
119.05015	4.7
120.05333	3.4
126.01976	4.4
127.00372	11.1
129.02060	1.6
131.05023	2.5
145.74384	1.6
145.75514	1.3
147.04503	37.8
159.08128	1.8
163.04018	5.5
164.04340	5.4
164.07149	38.1
165.07521	2.8
184.07668	23.7
185.08025	2.6
186.09218	11.4
202.08739	18.9
230.08235	19.7
246.07681	100.0
247.07904	7.2
248.09224	2.4
274.07190	50.0
275.07547	3.2
292.08276	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	292.1917
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
50.60618	0.6
53.44252	0.6
58.02961	0.7
59.01379	3.3
61.98815	1.0
68.03410	0.5
68.99573	0.7
71.01392	0.5
71.52608	0.6
71.53048	0.8
76.14928	0.5
107.49937	0.6
112.98589	1.0
156.13925	100.0
157.14288	3.6
166.13121	0.6
200.12885	4.6
214.66597	0.7
220.14627	2.8
221.15451	6.1
236.10504	3.9
272.17691	0.5
275.19965	1.0
284.28500	0.7
292.19962	9.5
293.17862	1.2
293.21191	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	292.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	0.6
59.01379	3.8
61.98811	1.3
68.99556	1.4
71.01369	1.0
71.52759	0.6
71.53159	0.5
76.75515	0.5
77.25329	0.5
77.98254	0.4
89.21877	0.5
97.18389	0.5
100.84686	0.5
112.98563	1.7
117.03574	0.6
132.83041	0.6
156.13925	100.0
157.14259	4.5
171.10287	0.6
195.13750	0.7
200.12936	5.1
220.14665	3.9
221.15462	7.1
223.13445	0.6
233.10306	0.9
236.10515	5.3
257.36560	0.6
264.23300	0.5
275.20163	1.4
288.45230	0.6
292.19720	2.6
293.17569	1.7
293.21170	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	293.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
59.01382	1.2
61.70863	0.6
68.08223	0.7
68.70442	0.8
69.42100	3.2
69.42525	2.2
76.99692	0.7
85.02945	37.1
91.95235	0.8
98.19869	0.8
101.02437	26.7
103.04009	0.8
119.05019	51.3
120.05344	1.8
129.01936	100.0
130.02246	2.6
147.02991	20.7
163.03993	84.9
164.04359	5.1
237.27353	0.7
249.11378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24984	0.8
51.60030	0.8
55.19151	0.8
57.03434	6.1
59.01370	1.5
69.19081	6.2
69.19497	2.1
72.99287	1.3
75.80173	0.9
79.53276	0.9
85.02943	21.6
90.30598	0.8
101.02435	15.9
103.04013	9.4
119.05027	14.3
129.01935	92.7
130.02254	3.5
130.43207	0.9
142.44185	0.8
143.17836	0.9
145.02896	1.1
147.02982	100.0
148.03314	2.7
163.03995	19.2
163.05263	1.6
192.10313	0.8
203.48471	0.8
224.70848	1.0
267.64404	0.8
293.10413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47396	0.8
51.21964	0.8
55.01866	1.0
57.03424	1.4
58.00591	2.4
59.01377	54.5
60.01698	1.0
64.28645	0.7
64.95679	0.7
70.59071	2.6
71.01379	26.8
72.99302	1.7
83.01388	1.6
85.02937	5.8
85.06574	9.7
87.00874	1.8
89.02444	36.5
95.01396	2.3
101.02434	16.6
113.02446	11.5
113.05383	0.9
113.06091	13.4
115.07639	1.4
119.03499	12.9
127.07613	1.9
131.07138	39.1
132.07471	1.1
143.03500	1.7
161.04536	1.8
173.08163	1.6
179.05637	3.5
216.08705	0.8
293.12402	100.0
294.12732	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10075	1.0
57.10103	0.9
58.00579	2.8
58.37936	0.9
59.01373	70.1
70.08692	3.4
71.01376	36.3
72.99303	2.5
76.35619	0.8
79.60203	0.9
83.01375	1.7
85.02946	6.6
85.06580	10.3
87.00852	2.0
89.02435	44.6
92.52921	0.9
95.01376	2.3
98.19976	1.5
101.02433	19.6
109.00885	1.0
113.02450	14.7
113.06068	22.1
119.03497	16.9
120.03783	0.8
127.07600	1.2
131.03482	2.0
131.07132	37.1
143.03482	2.4
149.04579	1.4
161.04515	2.1
173.08148	2.3
179.05544	5.8
273.41891	1.3
293.12399	100.0
294.12662	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	293.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39054	0.2
59.01346	0.4
61.98771	0.2
70.36906	0.6
71.01378	8.5
71.01749	0.3
75.29291	0.2
81.14462	0.2
96.96008	0.2
101.06017	0.2
103.81598	0.2
115.22260	0.2
127.07684	1.0
127.87060	0.2
135.04472	0.2
146.77191	0.2
148.05215	1.0
149.09572	0.2
151.07643	1.0
154.44170	0.2
164.08385	1.3
177.09204	4.8
177.12848	0.2
178.09563	0.3
180.16486	0.2
190.09920	0.4
192.11545	6.7
193.12057	0.7
195.13853	0.3
205.12317	6.9
206.12642	0.3
207.13879	1.8
217.08702	0.5
218.09386	1.7
219.09711	0.3
220.14665	48.5
221.15439	100.0
222.15779	7.0
231.17570	0.2
235.13364	1.4
236.10516	71.7
237.10899	5.6
275.20157	0.2
293.17639	11.3
293.21167	2.2
294.17911	1.1
294.20886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.4
61.98815	0.9
69.60370	1.7
69.60777	0.6
70.18967	0.3
71.01371	0.6
79.95721	3.1
79.96067	0.3
84.59351	0.3
87.62688	0.3
95.95254	0.8
96.54935	0.3
96.96004	100.0
98.19891	0.4
104.08846	0.3
109.80094	0.4
112.98532	0.4
119.57995	0.3
136.08940	0.7
147.35704	0.3
177.09183	0.6
181.37213	0.3
192.11473	0.8
193.15962	1.3
219.38129	0.3
220.14651	2.9
221.15442	5.8
222.15807	0.3
236.10522	4.4
249.18385	0.4
293.17902	81.5
294.18204	6.3
304.68375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	13(S)-HOT
Peak:m/z	Relative Intensity
55.64062	1.5
59.01376	28.4
61.98825	5.0
68.99563	5.4
71.01374	7.2
71.09774	3.5
96.95947	2.2
112.98564	8.7
137.13486	1.7
148.89333	1.8
149.00882	2.2
149.78986	1.8
156.13919	21.1
157.14294	25.3
171.10228	2.1
177.09131	3.6
179.14439	2.5
192.11533	4.0
195.13908	10.8
205.12340	4.4
220.14667	30.9
221.15443	54.3
222.15749	4.9
223.13332	8.0
233.10339	5.0
236.10521	40.9
236.12865	1.9
237.11028	2.1
256.13126	3.8
275.20081	12.3
288.08881	2.0
293.08823	2.3
293.17612	11.5
293.21170	100.0
294.21545	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
59.01368	5.7
61.98809	5.2
68.99557	2.2
70.99798	2.4
71.01373	2.9
75.64014	1.2
77.82218	1.3
89.44034	1.2
96.95987	2.3
104.52022	1.3
108.30354	1.1
112.98544	3.0
136.08968	3.0
139.11272	1.7
143.10207	1.1
151.11232	2.2
153.09387	1.3
169.12236	1.6
177.09232	2.2
192.11552	1.8
193.15916	6.3
197.11821	36.7
198.12209	1.6
205.12292	2.5
220.14653	10.7
221.15408	21.6
236.10519	14.6
249.18541	2.0
275.17365	1.9
275.20135	24.1
276.20435	1.4
293.17612	9.4
293.21185	100.0
294.21600	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	293.212
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.16136	1.1
57.24202	1.0
59.01361	3.1
69.72477	5.5
70.65446	1.1
81.41875	1.1
121.10233	36.2
122.10532	1.3
134.09068	1.2
160.08401	1.4
171.10257	65.0
172.10565	2.4
177.16426	1.3
185.11855	2.0
206.49908	1.3
231.21138	5.3
257.19211	1.3
275.20132	100.0
276.20477	6.2
293.21198	61.8
294.21533	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	293.212
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
59.01375	0.9
69.45787	0.5
70.14346	0.6
70.36935	1.3
70.37331	1.0
75.90078	0.5
79.74245	0.5
89.61066	0.6
98.19980	0.8
111.08152	1.0
166.37810	0.5
171.10251	0.6
179.14357	0.9
195.13873	11.7
196.14526	1.8
200.51527	0.5
205.12332	1.4
211.13417	0.8
223.13380	11.4
224.13878	1.1
228.13629	1.8
239.12791	0.7
256.13120	4.3
275.20123	7.1
276.20477	0.6
293.21198	100.0
294.21518	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94881	0.6
56.12112	0.5
57.03447	5.4
57.79592	0.5
59.01362	3.0
61.98822	0.6
62.54980	0.6
70.37027	1.3
71.01359	0.8
77.06782	0.6
83.05052	1.0
89.20455	0.6
97.06577	1.1
98.20727	0.7
109.06577	0.7
113.09730	19.0
114.10014	1.2
121.10210	1.3
135.11784	0.9
139.11269	1.4
167.10728	1.7
171.10225	2.4
179.10750	1.8
193.16060	0.7
195.13916	3.6
220.14670	1.8
221.15364	2.8
234.12186	0.7
236.10532	1.6
249.22168	2.5
275.20151	4.0
293.21201	100.0
294.21518	10.1
309.24884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37883	0.5
57.03442	0.9
59.01370	0.6
61.98818	0.5
65.64992	0.4
69.37351	1.3
69.37762	2.0
71.01359	0.5
76.90732	0.5
81.89808	0.5
96.96038	0.5
97.06556	0.9
123.08141	0.6
125.09713	3.8
141.12807	0.8
149.09700	1.8
151.11310	0.5
183.13919	2.6
185.11804	7.3
187.29158	0.5
193.15968	0.7
195.13924	0.8
196.34517	0.4
197.11806	3.0
211.13345	0.5
220.14664	0.9
221.15475	2.1
223.13411	0.9
236.10509	1.5
249.22197	0.9
275.20166	1.8
291.53018	0.5
293.21198	100.0
294.21509	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	295.0458
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
51.82071	0.6
58.05404	0.8
59.01379	12.7
65.03950	1.9
69.19392	3.0
69.19809	3.5
71.01384	3.5
72.99301	2.9
77.04399	0.7
85.02937	1.0
87.00875	11.5
89.02448	2.8
91.38991	0.7
98.19919	1.1
101.02444	2.2
103.00366	4.6
105.01907	0.8
112.98788	6.8
113.02449	1.3
115.12093	0.7
119.05025	62.9
120.05363	2.7
121.06606	1.1
133.05040	0.8
139.04001	1.9
149.00914	28.6
150.01215	0.7
163.04007	100.0
164.04343	5.7
179.05737	0.8
183.06599	4.5
213.38087	0.6
235.75850	0.7
295.04367	0.8
295.10303	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	295.0457
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
54.73646	0.7
56.25811	0.7
59.01372	8.5
59.37216	0.7
65.03960	0.7
72.99297	2.8
73.79082	0.6
77.21072	0.7
87.00874	12.3
93.03429	0.7
103.00362	3.9
112.98804	6.2
119.05019	61.9
120.05346	2.3
133.01422	1.4
139.04027	0.8
143.16980	0.7
149.00909	30.9
163.03998	100.0
164.04317	4.8
183.06580	1.3
192.28775	0.7
249.12891	0.7
277.03497	0.8
295.04761	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99166	1.7
59.01371	22.8
65.03958	27.4
69.44508	9.9
71.01371	5.5
72.99279	4.0
80.54240	1.5
87.00883	11.4
89.02408	2.5
93.03432	2.7
95.05053	1.8
95.60284	1.8
101.02464	2.5
103.00361	3.4
108.22278	1.8
108.72948	1.7
112.98795	5.5
115.00353	3.2
119.05022	67.9
120.05342	1.8
121.06577	10.0
131.03369	1.6
133.01419	7.9
135.04491	3.4
139.04005	31.5
149.00902	51.5
163.03998	100.0
164.04300	4.5
165.05519	10.5
179.03525	2.8
183.06615	61.8
184.06895	3.9
244.76529	1.7
295.04379	1.7
304.87375	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
56.40847	0.4
57.03450	1.7
58.00591	2.1
59.01378	60.7
60.01724	0.6
65.03960	0.4
69.03447	0.6
70.69275	1.1
71.01380	32.0
71.05037	0.8
72.01739	0.7
72.99285	2.7
73.02937	3.4
73.03245	0.3
74.99088	0.7
75.00874	8.0
78.04273	0.3
83.01389	2.3
85.02952	13.5
85.03472	0.7
87.00881	4.1
87.04536	2.0
87.22724	0.4
89.02444	35.0
89.39054	0.4
90.02777	0.5
95.01376	2.3
97.02924	2.1
99.00885	1.4
101.02439	24.5
102.02803	0.6
103.00365	0.7
111.00819	0.4
112.98841	0.6
113.02447	13.1
114.02817	0.4
115.00365	0.9
115.04012	12.9
115.10083	0.3
116.04367	0.5
119.03497	13.8
119.04972	4.2
120.03880	0.4
128.03534	0.4
131.03471	3.1
131.90681	0.4
133.05066	9.8
143.03500	1.9
149.00914	2.6
149.03484	0.4
149.04558	1.2
153.55518	0.4
159.02971	0.8
161.04576	4.4
163.04002	6.5
164.04372	0.6
179.05566	2.5
183.06628	1.0
203.92920	0.4
221.06683	3.8
233.09337	0.4
235.08139	0.6
237.06097	3.3
260.79477	0.4
295.10330	100.0
296.10681	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	295.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94779	0.8
57.42517	0.8
58.00584	3.0
59.01377	79.0
70.76338	1.9
71.01380	36.6
72.99300	1.6
73.02937	1.1
78.05697	0.8
81.49593	0.8
85.02952	7.5
87.00869	2.1
89.02439	45.5
95.01367	2.9
100.34737	0.8
100.80859	1.0
101.02439	20.7
113.02441	13.5
115.03985	1.0
119.03490	18.4
119.05001	2.6
131.03455	2.1
133.05013	2.4
143.03456	1.4
149.00877	3.3
149.04523	1.2
161.04475	2.7
163.03989	5.9
179.05600	2.2
200.79033	0.9
236.95198	0.9
254.72743	0.9
295.10318	100.0
296.10687	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	295.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75034	0.6
55.01874	0.9
57.03444	1.5
57.36251	0.7
58.00596	1.9
59.01375	61.9
70.67758	1.9
70.68099	0.8
71.01377	32.7
72.01722	1.2
72.99297	2.7
73.02940	2.5
74.89201	0.6
75.00867	17.2
83.01371	1.7
84.30299	0.8
85.02945	8.1
87.00864	2.7
89.02436	38.9
93.48413	0.7
95.01395	2.4
99.00876	1.8
101.02439	22.9
103.00349	2.0
112.98784	0.8
113.02440	11.4
115.00349	1.2
115.03999	7.4
116.07172	1.5
119.03501	15.4
128.67383	0.6
131.03490	2.1
133.05061	5.2
141.61699	0.7
143.03522	1.7
161.04550	1.9
179.05617	1.6
189.62827	0.7
221.06575	1.9
237.06149	8.6
295.10321	100.0
296.10663	6.5
311.47235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.14730	0.4
57.03446	0.6
59.01375	2.2
59.34316	0.5
62.24914	0.4
69.38837	2.1
71.07914	0.4
90.24640	0.3
90.25212	0.4
95.53447	0.5
113.09697	2.4
171.10286	0.8
177.12866	0.6
179.14380	1.1
181.12270	0.6
195.13878	16.9
196.14232	1.1
241.13583	0.4
277.21695	16.9
278.22064	1.9
295.22754	100.0
296.23093	10.1
319.05615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75140	1.9
57.03404	2.0
58.00591	2.9
59.01375	100.0
60.01695	2.4
63.13103	1.9
71.01379	69.1
71.50288	1.9
71.50719	3.1
72.99306	5.3
73.02943	75.0
73.83570	1.8
75.00867	7.4
83.01385	3.2
85.02941	11.9
87.00872	7.3
89.02441	83.1
90.02750	2.2
99.00880	2.5
101.02437	25.7
105.01907	14.5
113.02439	24.5
117.01926	29.5
119.03488	21.7
121.02933	3.5
131.03526	4.0
135.02951	7.8
135.04498	6.2
135.06645	10.9
143.03477	6.4
149.04492	2.7
161.04526	9.7
163.04036	3.6
179.05577	14.1
181.05009	2.5
237.09914	3.8
297.08411	5.6
297.11832	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.077
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
57.72191	0.2
59.01359	0.7
66.14084	0.2
70.69021	0.6
71.01373	0.4
89.02431	0.6
93.03435	0.7
101.02456	0.3
107.05028	0.2
108.02177	0.6
109.02975	0.4
119.03568	0.4
129.01936	0.2
130.09599	0.2
136.01674	2.1
137.02434	100.0
138.02776	3.7
151.04010	0.4
152.18094	0.2
284.03146	2.2
299.07788	11.4
300.08118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.09
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79159	1.8
54.47948	1.6
56.08274	2.2
59.01364	8.4
69.64905	8.4
69.65313	3.7
71.01387	5.4
71.63203	1.7
72.99272	2.6
74.99081	2.5
85.02946	4.4
87.88180	2.1
89.02447	3.3
93.03456	10.6
100.02970	1.7
101.02476	3.0
108.02176	3.9
108.13162	1.9
113.02442	3.1
119.05051	3.5
121.02940	8.6
121.46200	1.8
125.13342	1.9
137.02434	24.1
138.01956	3.6
140.70218	1.9
151.03957	3.3
181.05014	3.4
190.99844	5.9
200.04768	4.1
211.03944	2.5
227.03433	4.4
228.04254	2.7
239.03508	2.7
240.04253	9.3
255.02917	5.1
268.37164	1.9
269.38174	2.2
281.06540	4.3
283.02438	7.7
284.03244	100.0
285.03531	7.9
286.78125	2.3
299.05530	60.7
299.08636	4.6
300.05914	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03449	1.2
58.00589	4.7
59.01374	100.0
60.01699	0.8
69.52505	3.8
71.01376	58.7
72.99305	9.0
73.02953	2.5
75.00867	0.8
83.01383	2.3
85.02938	11.5
87.00882	3.0
89.02438	80.1
90.02768	1.8
93.03453	17.6
95.01385	3.1
99.00880	0.9
101.02437	36.0
105.01952	1.7
108.02198	1.1
113.02444	25.3
119.03506	36.3
119.05008	37.2
120.03851	0.7
120.05362	1.8
121.02949	1.4
123.03260	8.4
125.02325	0.7
131.03513	2.6
136.04182	0.9
136.05287	11.6
137.02435	38.6
137.06096	6.4
138.05598	87.7
143.03427	4.0
149.04521	2.6
151.04041	0.8
151.07857	0.7
151.30043	0.7
155.93619	0.6
161.04576	3.5
179.05659	5.4
179.07111	1.4
180.06676	1.1
190.99850	1.8
213.63223	0.6
224.95184	0.7
227.03528	1.1
228.04248	1.2
239.03383	0.8
240.04243	3.0
255.02989	1.5
256.04019	0.7
283.02405	2.1
284.03210	32.1
285.03564	2.0
299.05383	16.1
299.11081	8.4
299.14746	1.3
300.05850	1.2
300.10898	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1134
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01875	1.7
57.03438	1.3
57.55672	0.6
58.00587	4.1
59.01376	100.0
60.01710	0.7
62.36984	0.5
68.40131	0.6
71.01376	52.1
71.21049	1.0
72.01720	0.9
72.99308	7.5
73.02941	1.1
75.88147	0.7
83.01385	1.7
85.02950	10.1
87.00875	2.3
89.02439	69.5
90.02776	1.0
95.01380	4.4
101.02435	29.5
102.02825	0.9
105.01949	0.6
108.02148	0.8
113.02444	21.2
114.02809	0.8
119.03518	27.6
119.05011	37.4
120.05383	1.8
121.02959	1.3
123.03271	3.6
131.03513	2.3
136.05295	7.9
137.02412	3.1
137.06102	3.5
138.05597	42.6
143.03468	3.1
149.04575	2.2
161.04593	2.6
162.15649	0.6
179.05611	3.9
180.06616	0.7
193.61725	0.6
232.89542	0.6
284.03192	5.2
299.05389	3.4
299.11230	5.3
300.11032	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	301.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
63.83135	0.3
71.01381	1.6
71.53867	0.5
80.05052	2.7
93.03431	0.4
94.06623	0.4
96.08183	0.6
97.01674	0.5
103.79562	0.3
106.06622	6.2
107.01380	0.8
108.04546	20.0
109.04826	0.5
114.90233	0.4
120.04565	0.6
121.02959	0.7
121.05326	2.3
122.06100	1.1
124.07674	11.0
124.08553	0.8
125.08011	0.5
134.87122	0.3
136.07671	45.8
137.08054	1.7
147.03246	0.6
150.05592	3.7
151.00374	2.6
165.04306	0.3
168.06702	0.8
172.34207	0.3
178.99911	0.7
211.13370	7.7
213.06641	0.7
213.14017	0.8
214.12361	1.0
218.97084	0.4
224.09592	0.9
227.08203	1.0
228.09036	0.7
239.11900	1.7
241.14551	0.6
242.10539	1.6
257.12921	100.0
258.13263	8.1
265.14194	0.5
267.53546	0.4
301.00073	0.6
301.03473	2.8
301.06613	0.6
301.11896	10.6
301.20297	0.4
302.12152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.5
69.03460	0.5
69.24460	3.3
71.01380	50.6
72.01743	0.6
72.99316	0.7
115.00369	16.1
139.11267	1.7
185.11812	100.0
186.12181	5.9
248.67180	0.4
255.06610	0.5
273.53510	0.4
301.12851	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
52.90789	0.1
55.79003	0.2
59.01397	0.2
60.97496	0.8
69.25104	0.2
69.80064	0.4
69.80482	0.5
74.99087	0.8
84.56229	0.2
97.25319	0.2
118.96203	1.1
119.96290	0.2
120.18005	0.2
122.95570	0.2
134.99397	5.9
136.97330	1.5
141.07449	0.4
143.05322	1.5
150.98793	0.3
159.08469	1.5
161.06383	5.3
162.06442	0.2
201.04102	0.6
203.05659	2.9
205.03600	0.9
215.05658	1.0
217.07193	82.2
218.07338	6.7
261.06128	0.6
283.12036	0.4
285.13458	34.1
286.03879	0.5
286.13657	4.4
301.16577	100.0
302.16776	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	301.2171
Annotation	Pisiferol
Peak:m/z	Relative Intensity
52.21256	0.3
59.01366	0.3
61.98816	0.5
70.73543	0.5
70.73877	0.4
83.05030	0.3
90.41914	0.3
226.51239	0.3
243.15161	0.5
243.17500	6.7
244.17859	0.7
261.78799	0.3
269.19080	8.5
270.19412	1.0
271.20636	100.0
272.20963	10.7
272.23935	0.4
286.03595	1.2
300.99905	1.1
301.06396	0.7
301.21695	47.1
302.22025	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	303.0508
Annotation	cis-Dihydroquercetin
Peak:m/z	Relative Intensity
50.12508	0.6
55.74397	0.7
57.03449	17.1
58.03760	1.0
59.01379	3.9
59.32818	0.7
63.02380	1.1
65.00321	3.5
71.52449	1.2
73.02934	1.2
75.01578	0.7
81.03449	1.0
83.01381	5.8
85.02947	0.8
87.00884	0.8
93.03426	1.2
95.01371	1.2
107.01386	3.6
109.02942	3.3
111.00847	0.9
117.01942	1.7
119.04978	0.8
119.26067	0.7
121.02953	2.9
122.03828	0.9
123.04534	7.3
124.01652	2.7
125.02441	100.0
126.02792	2.6
131.58691	0.9
133.02893	0.7
137.02441	2.0
139.03958	2.2
147.04485	1.8
149.02460	5.2
150.03224	7.4
151.00357	8.9
151.03996	10.4
152.01143	5.0
153.01939	8.0
161.02501	1.4
161.06111	1.1
171.04527	1.9
173.06056	1.4
174.03188	3.9
175.03984	16.6
176.04352	1.1
177.01924	20.5
178.02299	1.3
178.99864	10.1
181.01396	1.7
185.11824	1.7
188.04803	2.4
189.05542	4.6
193.05058	3.4
199.03993	7.5
201.01941	2.9
213.05579	2.0
216.04340	1.5
217.05045	9.0
231.06612	1.7
235.06221	0.9
241.05025	7.8
243.03020	1.1
257.04620	1.3
259.06094	5.1
275.05618	5.3
276.06195	1.0
285.04028	65.8
286.04352	6.4
303.05029	9.9
304.05264	1.2
312.34128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
69.03455	1.1
69.59644	1.3
71.01378	0.5
73.02956	0.4
80.97755	0.3
96.06173	0.3
105.09348	0.3
117.01974	0.4
135.04427	0.3
138.84825	0.3
139.11305	2.0
179.03447	0.3
185.11810	100.0
186.12157	5.1
303.14450	11.5
304.14703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03445	7.0
59.01372	7.3
59.96026	0.2
60.00729	0.2
69.03446	0.8
69.70560	0.2
70.70227	0.5
71.01373	3.5
72.99288	0.4
73.02935	5.5
73.63144	0.2
81.03472	0.3
83.01372	0.7
85.02942	100.0
86.03278	2.6
87.00873	0.4
89.02428	0.3
97.02935	1.1
101.02379	0.3
103.04004	14.2
104.04308	0.3
107.05034	0.2
109.02930	0.6
109.06587	0.7
111.04491	1.2
113.02486	0.5
115.04001	0.9
117.05577	0.3
125.02359	0.3
127.03998	0.7
136.41371	0.2
139.07655	0.6
141.01901	0.2
145.05052	15.0
146.05414	0.4
157.08679	3.3
163.06102	3.0
167.81662	0.3
217.74817	0.2
303.14453	17.0
304.14761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0009
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06109	0.4
59.01375	5.0
60.01715	0.5
61.98826	100.0
62.07426	0.4
69.80603	1.6
69.81008	0.8
78.29756	0.4
80.39381	0.4
89.23965	0.4
96.95998	0.4
109.83000	0.4
159.01424	1.2
160.01637	1.7
161.01155	2.1
161.98940	20.6
162.99036	1.1
190.98770	0.5
203.02251	0.8
203.99992	4.4
211.08473	0.4
222.71297	0.4
303.99994	14.9
304.99847	2.2
312.87918	0.4
321.27664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	36.7
59.03307	0.7
63.44473	0.3
71.00897	0.5
113.23865	0.3
133.36426	0.3
158.89101	0.3
159.13077	0.3
166.49844	0.3
168.13925	100.0
169.14285	5.1
212.10974	0.4
212.12883	2.7
241.43414	0.3
304.19226	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68084	0.4
58.85003	0.5
59.01377	41.0
68.04807	0.4
69.65261	0.5
70.95120	0.7
70.95457	1.0
73.50415	0.4
79.23342	0.5
79.95757	2.0
88.29871	0.5
96.96005	100.0
97.06574	1.1
130.27742	0.4
135.08104	1.1
147.08133	1.6
165.09219	0.9
181.12407	0.7
225.11305	23.8
226.11707	1.2
261.58536	0.5
305.06976	81.9
306.07321	6.7
306.17331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1756
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.44839	1.1
53.17702	1.1
55.01867	1.6
57.03445	2.3
59.01373	6.6
61.98817	3.4
62.56755	1.1
65.03963	5.0
69.03448	1.4
70.26202	1.1
71.05013	9.4
71.38982	2.2
79.05522	12.8
83.05045	1.2
83.20178	1.0
85.11624	1.1
93.03461	1.6
95.05022	3.1
97.06587	16.7
100.85060	0.9
106.04243	10.2
107.05018	3.8
108.02128	1.6
109.06564	3.2
117.07053	2.2
120.05840	5.6
121.06559	3.3
123.08148	6.1
125.09716	19.5
133.06618	1.7
135.08153	100.0
136.08487	5.2
137.09705	3.0
151.11272	2.3
157.18591	1.1
163.11220	2.9
163.97725	1.2
171.10324	1.2
183.10197	1.2
185.11774	3.4
189.12799	1.3
205.15924	5.4
207.10133	2.1
209.11833	1.4
221.11859	2.9
231.13770	1.8
233.11882	1.4
237.14963	1.4
241.15666	1.2
243.17378	1.2
249.14920	53.0
250.15221	4.5
263.16330	1.5
269.15359	2.0
277.18066	2.6
287.16422	9.8
305.17548	86.5
306.17941	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	305.1755
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
54.20259	1.3
57.03441	2.4
59.01387	5.6
61.98820	2.5
69.03429	1.9
70.66115	2.7
71.05015	47.9
73.26036	1.0
77.65816	1.1
80.02640	1.2
81.03455	4.3
83.05011	3.0
93.03456	3.1
95.05028	21.6
97.06589	1.4
98.20594	1.4
100.93410	1.0
101.29965	1.0
106.04237	2.9
107.05019	2.3
109.02918	1.7
109.06583	19.8
111.04526	2.7
119.04991	1.8
121.06580	6.5
122.03661	1.3
123.04507	1.7
127.07643	4.3
135.08171	3.8
141.09256	1.0
147.04492	2.2
147.08124	3.8
149.06059	1.6
150.06805	2.6
153.09283	1.7
159.08153	1.3
161.06036	3.3
161.09692	3.0
165.09193	15.0
175.07631	1.3
175.11211	1.3
179.14281	1.1
189.12833	19.1
190.13203	1.8
203.14458	1.8
205.15965	10.6
206.16277	1.1
231.13918	3.3
233.11797	9.9
243.17477	14.5
245.15468	1.5
249.14960	12.4
261.18436	1.7
269.15430	2.8
287.16501	94.3
288.16800	9.0
303.04092	1.1
305.17563	100.0
306.17856	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
59.01363	9.6
61.98811	7.4
71.05020	28.6
85.56960	2.7
88.03816	2.1
93.03491	3.7
93.42638	2.4
94.80470	2.3
95.05015	11.3
107.04969	3.8
109.06574	10.8
121.06571	3.6
122.03703	3.1
135.08131	15.9
147.08046	4.1
150.46152	2.7
152.41986	2.3
161.06042	2.9
165.09137	9.4
189.12791	8.2
205.15936	8.6
222.95251	3.2
233.01187	2.4
243.17439	12.1
249.12675	2.7
249.14876	14.0
261.18536	2.8
267.81985	2.9
287.16498	65.8
288.16919	8.7
305.13980	5.0
305.17557	100.0
306.17795	9.9
314.37668	2.6
316.44952	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	306.9754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.8
61.98825	100.0
69.75336	1.5
70.30413	0.2
71.01379	0.9
91.52934	0.3
93.05744	0.2
93.84305	0.3
98.20619	0.5
114.53159	0.3
119.68465	0.3
142.01276	0.3
148.90376	0.2
157.05028	0.5
161.98918	1.4
162.98488	0.6
163.98616	0.4
164.96378	66.4
165.96449	4.3
193.13165	0.3
206.97427	27.0
207.97560	1.4
247.08170	0.3
252.94803	0.3
276.21942	0.2
306.97513	26.4
307.97644	4.4
320.32089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.4
71.01366	2.0
71.28657	0.5
85.02952	1.1
87.00854	0.5
96.95982	0.6
97.77025	0.5
98.95580	1.5
101.02405	0.7
103.04031	0.5
107.05003	0.9
109.02952	1.2
113.02438	0.5
127.05183	0.4
133.02942	2.7
134.03751	2.5
135.04512	94.2
136.04851	3.1
145.08627	0.4
161.02422	4.1
161.04465	0.6
179.03479	100.0
180.03806	4.5
254.28146	0.4
265.12930	0.9
289.07043	2.3
290.07306	0.5
307.08237	15.8
307.13986	1.1
308.08594	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	307.0854
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
59.01377	32.6
59.60455	0.4
68.72816	0.5
70.76395	1.2
79.95744	1.2
85.66039	0.6
90.31442	0.5
96.96006	100.0
97.95922	0.5
101.89296	0.4
110.32606	0.5
123.08175	0.6
134.26105	0.6
135.04524	0.9
142.09137	0.5
167.10747	1.2
176.32144	0.5
179.03482	0.6
227.12863	21.1
228.13232	1.8
278.46088	0.5
307.08548	91.2
308.08841	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58897	1.0
55.01872	3.0
57.03445	2.5
58.00573	1.9
59.01374	61.0
70.51469	2.2
70.51798	2.5
71.01374	44.9
72.01721	1.2
72.99296	3.1
73.02951	5.1
83.01391	4.2
85.02943	13.6
87.00869	2.2
89.02437	30.7
91.21589	1.0
93.12524	1.3
95.01365	2.2
99.00887	1.8
99.04549	1.5
101.02436	26.1
101.03093	1.3
101.20782	1.1
103.03986	2.7
113.02445	15.5
119.03506	15.6
127.04004	12.5
135.04507	16.7
159.02946	1.3
161.04547	3.7
179.03471	20.4
206.60771	1.1
210.93962	1.3
243.97134	1.4
247.08099	1.1
307.10349	100.0
308.10587	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.6
61.98840	0.6
69.42301	4.0
71.01382	4.9
74.99049	5.9
81.50446	0.5
83.01366	0.7
85.02940	1.1
89.02439	1.0
91.02224	2.6
93.00103	1.4
98.19918	1.1
101.02439	0.9
103.04025	2.7
105.99202	0.5
135.04500	4.6
136.04779	0.5
149.00948	1.7
157.05058	1.0
159.08455	7.8
161.06366	1.5
179.03516	4.5
192.98181	0.6
206.99638	1.6
209.01199	2.4
223.02806	50.4
224.02829	5.0
229.64719	0.6
247.08141	1.7
275.05725	0.8
289.07507	1.5
291.09061	100.0
292.09235	12.3
307.12830	2.8
309.10373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.3
59.80658	0.3
59.96723	0.4
61.98811	0.4
69.30581	0.7
69.30991	2.0
71.01382	2.2
74.99062	5.5
74.99454	0.4
77.49699	0.3
85.02921	0.3
86.22130	0.3
89.02448	0.4
91.02213	2.8
93.00140	1.5
101.02486	0.4
103.04005	1.1
127.02467	0.3
130.88187	0.3
135.04486	1.7
143.05237	0.3
147.09229	0.3
149.00903	2.1
157.05043	0.6
159.07214	0.6
159.08455	7.3
161.04724	0.3
161.06383	1.6
179.03468	1.3
192.98068	0.7
206.99689	1.5
209.01242	2.5
217.07240	0.7
223.02809	50.1
224.02853	4.5
231.92833	0.3
241.03877	0.6
247.08266	0.7
289.07486	1.9
291.09064	100.0
292.09186	14.0
300.29050	0.3
307.12497	3.8
308.12393	0.6
309.10123	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	NSC-224070
Peak:m/z	Relative Intensity
57.03434	0.6
58.00584	1.0
59.01377	50.4
60.01693	0.7
71.01376	21.5
71.43969	1.0
72.99297	2.0
73.02948	0.8
76.02413	0.6
83.01373	1.8
83.28489	0.7
85.02940	4.9
87.00857	0.6
88.04033	1.3
88.86320	0.6
89.02439	21.3
89.22027	0.7
95.01379	1.5
96.95959	1.6
99.00921	0.8
99.08158	3.2
101.02433	14.3
107.04996	0.7
111.82555	0.6
113.02441	8.5
119.03504	7.5
127.07632	7.4
132.03018	4.2
135.04526	15.6
145.08694	9.8
152.35411	0.6
161.02446	1.1
179.03484	18.7
246.07419	0.7
278.72369	0.7
291.61581	0.7
292.82233	0.6
300.79764	0.7
307.08200	3.3
307.13956	100.0
308.08514	0.7
308.14301	8.4
310.34433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1396
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01880	1.3
57.03438	1.1
58.00581	1.4
59.01376	63.0
69.34187	2.0
69.34608	3.3
69.43327	0.7
71.01376	29.5
72.99296	2.5
73.02934	1.9
83.01396	1.8
85.02952	6.3
87.00887	1.3
89.02439	27.6
95.01391	2.8
96.96009	1.4
99.08155	19.7
101.02434	17.4
103.03995	1.1
108.80103	0.7
113.02442	9.1
119.03500	10.6
119.04991	1.4
120.05280	0.8
120.87875	0.7
127.07639	9.5
129.09221	1.5
131.18477	0.7
135.04526	2.5
141.09180	1.2
142.05049	0.8
143.03503	0.9
143.05460	1.0
143.07101	0.7
145.08702	57.2
146.09073	1.6
149.04590	1.0
161.04581	1.7
163.04005	1.1
164.04280	1.7
179.03519	3.3
179.05582	2.1
187.09744	1.3
239.34244	0.7
243.25603	0.8
280.87485	0.7
307.13965	100.0
308.14398	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.0
57.03431	8.9
58.56429	2.0
59.01373	19.7
65.03957	63.7
66.04313	2.4
68.99528	2.0
69.03424	2.8
71.01376	22.1
71.05010	40.6
83.05020	6.7
85.02924	3.7
85.06598	2.2
89.02425	3.5
93.03452	8.3
95.05009	2.9
97.06583	70.3
98.20689	3.7
103.04008	12.2
109.06541	2.3
111.04487	2.8
117.07073	9.2
119.08646	21.4
121.06586	100.0
121.10214	2.4
122.06908	5.2
123.08117	3.1
125.09707	50.2
135.04483	12.4
135.08148	43.4
137.09700	7.9
157.05063	7.4
159.38419	2.2
171.10278	32.8
179.03410	7.2
179.05031	1.8
180.14755	2.1
185.11812	81.2
186.12122	4.2
209.11798	39.7
210.11996	2.8
211.13359	39.3
213.14368	2.8
233.15462	6.4
233.34996	2.4
235.13368	93.9
236.13683	8.8
245.19136	4.5
247.08159	6.5
249.14894	7.4
271.16879	2.6
289.18073	58.8
290.18283	6.7
307.10553	4.2
307.19095	46.4
308.19440	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.1
57.03442	3.5
58.04075	1.6
59.01383	10.8
61.98819	6.8
63.59155	1.3
65.03959	58.1
66.04314	1.3
71.01385	10.5
71.05010	38.3
75.82517	1.4
80.28667	1.4
83.05029	2.0
85.02938	2.9
97.06580	66.5
98.06960	2.1
98.20686	2.6
99.13479	1.7
100.07329	1.7
103.04017	7.2
119.08649	10.1
121.06588	100.0
122.06921	3.9
123.08146	3.8
125.09708	40.3
135.04538	6.6
137.09717	5.6
157.05022	3.3
179.03522	5.7
185.11801	77.8
186.12192	4.7
209.11801	33.8
209.13791	2.2
210.12170	3.4
211.13354	38.0
217.12274	1.7
235.13362	85.0
236.13695	7.1
237.95792	1.5
247.08116	3.1
277.03619	1.5
289.18063	20.1
307.10324	5.5
307.19138	28.8
308.19376	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03443	2.3
59.01382	21.6
60.56051	1.6
69.23383	11.9
69.23811	4.8
71.01379	10.8
77.24160	1.8
80.02684	2.3
81.03448	5.8
83.01373	6.3
83.05025	5.8
85.02955	1.9
89.02446	2.1
95.01415	2.3
95.05026	3.9
97.02946	6.2
97.06585	8.5
103.04008	6.1
109.06604	2.9
110.03753	2.0
119.08648	2.6
121.06611	2.4
123.04543	11.3
123.08171	5.5
125.06095	2.6
125.09705	21.3
127.07601	2.1
135.04530	8.9
135.08136	4.1
137.09741	10.9
141.12781	2.0
149.06090	3.1
151.11278	2.1
157.05063	4.1
162.10600	1.9
163.07652	2.8
163.11272	19.2
165.12842	5.4
167.10725	4.3
170.74350	2.3
171.10284	2.8
179.03534	10.4
181.12352	3.2
185.11818	21.6
191.10742	3.9
191.14380	20.2
192.14912	2.1
207.10168	8.5
209.11816	45.1
217.15950	2.7
225.11363	10.3
235.34468	1.9
245.19081	50.2
246.19415	4.6
247.08307	2.2
263.20078	2.3
271.17041	5.4
279.19531	2.2
287.04111	1.8
289.18073	100.0
290.18433	10.0
307.10324	6.1
307.19119	46.8
308.19318	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42936	3.5
57.03451	19.3
58.00581	3.3
59.01160	2.3
59.01382	26.3
61.98814	4.9
63.25758	3.1
69.03460	5.5
71.01382	33.3
71.05028	4.0
71.06979	5.1
79.95724	15.5
80.96461	3.8
83.05043	6.1
95.05005	7.2
97.06577	29.4
103.03979	11.2
103.37702	3.4
106.04166	3.7
109.06570	3.9
110.77203	2.9
111.08152	14.9
115.83985	3.0
121.06595	7.1
123.04496	5.6
123.08172	5.2
125.09740	15.0
135.04506	15.1
135.08147	7.5
137.09737	6.5
149.09779	4.4
151.11279	40.2
152.11497	3.3
153.09215	6.9
153.12849	5.8
155.10747	9.3
157.05046	5.0
163.11249	11.1
165.09152	3.8
165.12842	48.6
167.10698	4.5
169.12328	3.5
171.10254	18.5
177.12798	5.1
177.71957	3.4
179.03493	15.3
179.10699	15.4
181.12325	47.7
185.11798	23.2
191.10745	25.4
191.14360	8.9
197.11890	6.6
209.11816	100.0
210.12155	8.6
211.13399	13.0
212.10434	3.6
225.11171	3.5
239.09280	4.1
242.37659	3.3
245.19089	48.5
246.19409	5.7
247.08243	4.8
249.18558	3.4
249.92232	3.4
261.18445	6.4
263.20096	12.9
271.17050	4.7
271.23734	3.2
279.19623	9.5
289.18066	51.7
307.10413	4.1
307.19095	74.7
308.19131	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30190	1.2
55.01872	1.9
57.03434	5.3
59.01375	10.2
67.01881	1.4
69.03432	3.8
69.19699	3.7
69.20116	9.8
71.01373	6.5
77.57114	1.6
80.02672	3.8
81.03445	6.0
83.01370	8.0
83.05023	6.4
93.03458	2.1
95.05009	4.2
97.02933	7.3
97.06597	11.2
103.03963	1.6
106.04211	2.5
109.06595	3.1
111.08163	2.3
119.08636	1.9
120.81602	1.2
121.06598	2.6
121.10194	2.4
123.04501	12.6
123.08138	4.9
125.06056	4.2
125.09712	23.0
126.10038	2.2
132.26225	1.4
135.04509	3.2
135.08127	4.5
137.06050	2.5
137.09715	14.6
141.12842	3.2
142.02718	1.7
149.06001	2.0
149.09735	1.9
151.11365	1.8
162.10500	2.1
163.07539	1.7
163.11285	20.1
165.09088	1.5
165.12851	7.3
167.10757	3.0
171.10236	2.5
177.12663	2.4
179.03482	3.1
179.10728	2.0
181.12320	4.0
185.11794	26.3
191.10782	3.4
191.14384	21.2
192.14795	1.5
207.10248	13.0
209.11803	54.5
210.12166	5.4
211.13483	1.7
217.15955	2.7
225.11278	9.8
226.11774	1.8
227.17973	1.6
245.19084	49.6
246.19402	4.8
261.18674	1.6
263.20090	1.9
271.17007	6.0
279.19437	1.4
283.71295	1.7
289.18073	100.0
290.18268	11.5
307.19141	48.2
307.21945	1.0
308.19574	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	307.1913
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03448	17.1
59.01378	24.2
71.01376	36.2
80.02684	3.9
83.05017	7.4
97.06605	23.0
103.04017	7.1
109.06561	5.4
111.08146	17.2
123.04543	4.7
125.09698	5.0
133.10231	3.4
134.03729	3.6
135.04510	9.9
138.69046	3.2
149.09685	5.2
151.11234	33.0
153.09200	4.0
153.12776	7.7
155.10782	12.1
157.05029	6.7
161.04417	3.6
163.11263	10.6
165.09155	3.1
165.12842	34.7
167.10796	7.9
177.12726	5.0
179.03514	7.0
179.10756	9.4
181.12329	51.8
182.12711	4.4
191.10797	21.3
191.14404	13.4
195.10240	3.6
197.11923	6.6
209.09901	6.9
209.11812	98.6
210.12103	5.6
211.13364	11.1
216.16750	3.5
222.13322	3.9
225.11404	5.2
226.12085	4.4
229.97417	3.2
245.19084	48.1
247.08121	4.7
263.20193	10.3
265.08563	3.6
271.17032	4.5
279.19754	7.1
289.18069	54.5
290.18375	8.1
307.10449	7.0
307.19116	100.0
307.22595	6.9
308.19421	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55209	0.4
57.03433	0.7
59.01370	3.2
69.03437	1.1
69.27127	4.1
71.01369	2.0
71.05024	6.2
80.02679	0.5
81.03429	2.6
83.05019	1.5
84.43982	0.5
94.85210	0.4
95.05020	1.7
98.03732	2.0
98.20650	0.9
98.98611	0.6
102.10191	0.5
103.04005	0.8
106.04180	0.8
107.05002	0.4
109.02956	0.7
109.06577	13.3
110.03722	0.6
111.04518	5.9
111.08131	1.1
112.05272	0.7
115.41173	0.5
121.06606	0.7
123.04505	0.5
123.08131	1.3
127.07663	3.6
135.04532	0.8
137.06073	1.1
137.09694	1.2
137.70763	0.4
143.10748	2.0
143.44003	0.5
145.06607	1.5
149.06104	0.9
149.09731	1.4
151.11234	0.7
157.05013	0.5
167.10719	1.8
179.03468	0.9
179.10728	1.1
186.11383	0.5
191.14354	0.6
195.13852	4.6
207.17609	1.0
215.14375	0.5
217.15822	0.5
217.55258	0.5
235.13365	2.0
245.19089	4.6
251.16531	1.2
261.18521	0.7
271.17020	1.4
273.14865	0.8
284.11127	0.5
287.16385	1.6
289.18066	100.0
290.18442	10.6
307.19147	7.7
308.19565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
51.23476	0.5
59.01368	1.0
60.31818	0.6
69.71960	2.7
71.01374	1.9
71.01723	0.6
75.02426	0.6
98.20541	1.1
101.02334	0.7
103.03986	0.7
150.48602	0.6
157.05045	0.8
168.19403	0.6
204.78407	0.6
213.15068	0.6
307.22763	100.0
308.23105	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96822	0.6
59.01370	4.8
62.77859	0.6
71.01377	25.1
71.25451	1.1
89.03964	1.5
101.02470	0.9
107.05030	0.7
115.00359	7.7
117.03455	8.6
117.05605	1.1
119.05008	2.7
120.12418	0.8
121.02951	0.7
133.01399	3.3
133.02946	0.9
134.03731	84.0
135.04059	3.5
137.02419	2.0
145.02930	1.3
145.05037	0.9
147.79536	0.7
149.06076	8.1
150.03207	1.7
161.02336	0.9
163.03975	2.4
163.06108	6.7
163.73152	0.7
167.03615	0.6
177.77045	0.6
178.02682	5.7
193.05034	100.0
194.05328	5.9
235.41003	0.7
265.10938	0.7
279.06760	1.1
279.78479	0.7
309.09845	2.8
310.08960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98820	0.4
64.97028	0.5
65.92097	0.3
70.99878	0.7
78.16610	0.4
79.95730	8.6
80.96509	1.0
81.94241	0.3
84.88325	0.4
94.98090	0.7
95.95202	1.9
96.96005	85.8
97.55209	0.3
97.95963	0.4
104.57843	0.4
122.97556	2.6
138.97083	0.4
140.13960	0.4
151.07599	0.9
209.15491	0.5
265.18237	0.3
287.65588	0.3
297.53018	0.3
309.17383	100.0
310.17712	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32123	1.2
57.03434	1.8
59.01016	1.1
59.01369	3.2
69.03440	5.5
71.43713	2.0
81.03442	1.9
83.04998	2.9
85.02961	3.1
87.18165	1.6
95.01373	2.0
97.02946	46.8
98.03265	1.3
98.06476	1.5
99.00879	6.6
109.52281	1.2
111.00803	1.4
111.08131	2.5
115.17223	1.3
119.08636	10.7
123.08128	1.6
125.09712	4.9
127.11218	1.7
137.08754	2.3
137.09715	22.3
138.10051	1.6
151.03992	20.1
151.07634	30.8
152.08430	39.0
153.08896	2.0
155.10745	2.2
165.05547	1.3
167.10788	2.3
171.10252	50.0
171.11710	3.0
172.10580	2.8
184.07440	6.2
185.11833	8.3
190.09944	3.0
193.08643	4.2
195.13811	2.0
197.11804	4.1
201.11261	1.9
208.10982	4.0
209.15448	54.9
210.15758	4.6
211.13362	3.5
213.11256	3.1
221.11832	5.5
235.67287	1.4
239.12933	3.4
247.16960	3.1
247.20589	2.3
252.09962	10.1
265.18079	10.0
266.18390	1.5
273.18628	6.0
291.16235	2.5
291.19601	26.8
292.19879	2.6
309.16995	85.4
309.20651	100.0
310.17276	11.6
310.20984	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.2
59.01378	8.0
59.43273	1.4
61.98824	1.6
71.05016	17.3
73.02947	1.5
83.05031	1.8
92.47218	1.3
93.07083	2.8
95.05042	1.6
97.06601	4.8
97.15691	1.5
98.20712	2.8
106.27411	1.4
106.77084	1.6
107.05022	1.9
111.08170	1.8
119.08635	1.6
121.10238	12.7
122.16201	1.3
123.08165	1.8
125.09713	11.0
137.09714	21.9
139.11266	1.3
141.12904	2.2
141.67140	1.3
144.84445	1.6
150.03207	2.0
171.10274	44.8
172.10574	2.2
181.12375	2.5
185.11829	18.7
197.11755	5.4
217.83630	1.5
237.14870	2.6
245.92532	1.3
247.20694	2.2
251.16508	48.9
252.16891	6.0
271.48831	1.6
273.18555	2.3
291.19653	100.0
292.20029	11.9
309.11224	2.5
309.20682	98.9
310.21140	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45024	1.6
54.07834	1.5
54.25798	1.5
57.03436	2.1
59.01364	3.5
66.40381	1.6
69.03450	4.2
70.27361	5.6
107.08669	2.1
111.08160	3.1
119.08657	15.2
121.10223	1.5
125.09720	6.2
127.11333	1.7
135.08167	2.2
137.09711	36.0
138.10078	1.5
146.19348	1.6
151.07626	2.2
155.10785	4.7
155.54691	1.6
167.10751	4.2
171.10262	100.0
172.10518	5.5
183.10268	4.7
185.11803	20.4
186.12053	2.2
195.10158	2.2
196.82906	1.9
197.11864	7.9
201.11354	6.4
201.79167	1.6
211.13361	2.9
213.09518	1.6
213.11238	9.9
229.19484	2.5
273.18542	8.6
274.18848	1.6
280.58414	1.6
291.19653	33.4
292.19980	3.4
309.17230	4.2
309.20621	42.1
310.21060	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	309.2069
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03434	1.9
59.01368	3.2
65.30527	0.8
67.01883	1.2
71.34672	1.5
83.04999	1.3
93.07093	1.4
97.06554	1.8
121.10227	13.0
122.10493	0.9
123.08049	1.1
125.09713	7.5
137.09723	2.7
147.08180	1.0
150.03183	1.6
167.14360	2.6
171.10245	5.2
177.12839	1.0
185.11818	9.9
197.11774	3.5
209.11778	1.8
211.13371	64.9
212.13661	3.2
244.90529	0.9
247.20567	1.4
248.95586	0.8
249.67146	1.1
276.67834	0.9
281.58105	0.9
291.19632	100.0
292.19998	9.6
309.20670	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11125	1.1
59.01339	1.3
63.87983	1.1
69.03426	1.4
69.95577	3.0
69.95971	1.8
80.77521	1.0
83.40489	1.1
93.07088	1.4
101.16241	1.2
111.08155	31.0
112.08510	1.4
127.07596	1.3
133.89368	1.3
153.12810	2.5
154.87625	1.0
169.12314	7.5
197.11819	100.0
198.12109	5.5
199.13287	3.4
211.13351	10.5
225.81126	1.2
227.12863	2.7
247.20566	2.0
263.20029	3.6
265.18085	2.8
273.18625	1.7
277.52454	1.2
291.19626	17.9
292.19830	2.5
309.17358	1.5
309.20660	37.6
310.21048	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35518	1.0
59.01363	1.9
69.03461	1.1
71.43362	1.3
73.19315	1.0
76.23821	1.0
76.36269	1.1
109.06574	2.1
111.08152	29.2
112.08466	1.3
127.07629	2.6
153.12843	1.7
169.12285	6.3
179.10797	1.4
181.12344	2.4
181.52538	1.1
192.00252	1.1
197.11813	100.0
198.12148	5.6
199.13284	3.4
211.13348	9.6
227.12868	3.5
263.20096	6.3
265.18048	2.3
273.18518	1.6
289.39313	1.0
291.19656	18.1
292.19818	2.2
309.20654	40.6
309.24243	2.1
310.20978	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	17.7
59.75382	2.7
70.74036	5.4
70.74361	4.9
71.38301	3.2
80.02654	7.5
83.05024	27.0
84.02142	7.9
90.97760	2.9
95.05013	5.4
96.96026	3.7
99.08143	8.1
115.07598	5.9
125.09714	3.9
127.11243	5.5
130.55763	3.8
137.09702	50.9
139.11247	9.3
151.03983	6.1
151.07614	10.6
151.11270	7.9
152.08421	11.4
153.09157	5.7
155.10777	51.0
156.11134	3.2
167.10828	6.7
171.10255	47.9
193.12265	25.0
197.11754	3.2
209.02724	3.4
209.15523	21.1
211.13297	9.1
239.23715	3.2
247.20618	7.3
252.10081	4.5
263.20227	7.8
265.18118	6.4
265.21445	7.8
291.19662	100.0
292.19983	10.0
309.15106	25.9
309.17236	20.2
309.20514	95.1
310.20999	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01923	2.6
52.62626	2.6
57.03430	3.7
59.01352	11.7
61.98812	3.3
62.60872	2.5
69.03454	3.1
69.13972	24.7
84.49040	2.6
96.95971	4.1
97.06593	16.5
98.20614	5.7
99.00823	2.9
111.08117	9.4
119.08647	4.6
121.10159	7.7
125.09647	7.3
127.11242	5.1
127.91567	2.6
129.05537	2.5
132.47797	2.5
151.03947	6.3
151.07585	8.1
151.11273	4.2
152.08458	5.6
153.12811	15.5
155.10698	3.5
167.10645	3.5
171.10179	5.2
179.14368	4.6
181.12268	9.3
183.01152	3.7
183.13898	70.1
184.14146	3.4
185.11707	7.5
193.12309	3.5
193.15955	3.1
197.11807	13.1
199.13329	3.8
207.13734	4.8
209.15436	14.1
211.13368	45.1
215.12762	3.7
227.12729	4.7
228.13528	4.4
247.20457	8.2
251.57515	3.0
252.09918	2.9
263.19824	4.4
265.17828	4.7
265.21729	3.3
273.18420	8.3
278.85886	3.3
291.19644	76.2
292.19955	8.6
309.15063	25.1
309.17160	16.0
309.20538	100.0
310.20892	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	311.077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
57.89690	0.8
59.01371	7.6
60.05469	0.8
69.97892	0.7
71.01366	5.0
71.28333	1.5
72.99308	4.6
73.02936	1.3
75.00865	35.4
85.02940	5.4
87.00874	3.6
88.52746	0.7
89.02423	1.4
93.03435	0.9
99.00883	2.7
101.02403	1.4
109.02950	3.6
113.02396	1.2
119.05022	66.2
120.05336	3.7
121.02947	1.3
128.88312	0.9
129.01947	9.1
133.02986	1.7
134.03691	1.4
135.04536	3.6
137.02454	0.9
145.02963	1.4
147.02989	14.1
148.03418	1.0
149.00876	1.0
149.02463	0.8
149.04570	0.8
149.06030	0.8
150.03233	6.6
151.03639	1.6
161.02396	1.8
163.04004	93.8
164.04288	4.8
165.04030	100.0
166.04344	2.7
179.03479	2.5
267.12186	1.0
303.08020	2.5
310.58957	3.0
311.07504	10.4
311.11142	1.0
312.10269	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10926	0.9
57.03432	1.3
59.01383	3.7
70.62029	0.8
71.01382	2.0
72.99300	2.4
75.00871	32.7
85.02953	2.8
87.00865	1.5
99.00890	3.6
101.02460	1.4
102.17335	0.7
119.05027	33.3
120.05408	1.0
129.01941	9.2
135.04544	1.8
145.02930	0.9
147.02997	6.6
163.04002	47.7
164.04341	3.2
165.04036	100.0
166.04413	4.1
311.07565	8.1
311.34222	0.7
312.07996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26977	1.1
56.82548	1.1
57.03441	1.7
59.01375	77.3
65.87553	1.1
69.03445	1.9
71.01375	21.7
72.99298	1.5
73.02947	8.1
83.01357	2.3
85.02955	8.4
87.00840	2.0
87.04507	1.6
89.02453	3.6
91.05565	2.5
95.01353	1.9
97.02943	3.1
99.00859	1.7
101.02432	6.8
107.05041	6.2
112.22152	1.2
113.02428	5.8
121.46668	1.4
125.02443	2.5
133.02928	9.8
134.03705	3.8
135.04518	75.6
136.04831	5.2
143.03452	1.5
150.03166	1.5
151.03600	1.3
161.02431	25.4
161.04585	3.8
162.02814	2.2
177.16135	1.1
179.03479	37.7
179.04977	2.3
180.03798	4.9
191.29247	1.1
196.38972	1.2
203.03540	1.9
227.38643	1.1
228.98929	1.4
238.06671	4.0
269.10248	9.5
295.99939	1.4
311.09543	100.0
311.59683	34.7
312.09839	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03445	0.7
59.01374	100.0
60.01724	1.3
67.37078	0.7
68.34168	0.7
69.03463	0.7
71.01373	10.2
71.50735	0.5
73.02947	2.1
75.00867	1.9
83.01406	1.8
85.02945	3.3
85.15037	0.6
87.00874	0.8
89.02439	4.0
90.81548	0.7
99.00883	3.6
101.02429	8.3
108.02166	3.0
113.02442	4.6
119.03519	1.7
119.05048	2.1
123.04526	1.1
127.00366	26.3
135.04550	1.1
135.86557	0.6
143.03455	0.8
149.06184	0.9
153.05489	0.9
157.01465	3.6
159.03040	0.7
161.04543	10.7
162.04863	0.7
163.04024	3.7
165.04068	1.4
173.20592	0.6
177.05548	0.9
189.05624	2.0
207.06645	0.7
208.32318	0.7
214.47643	0.6
221.04657	1.2
244.51956	0.6
251.11319	21.5
252.11734	1.0
311.09906	4.0
311.12991	1.1
321.61816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01712	1.1
71.01387	3.2
71.50606	0.6
71.51013	1.0
72.99319	0.7
73.02949	1.1
74.47407	0.6
75.00854	0.8
85.02985	1.7
85.53285	0.6
87.00884	1.4
90.99829	0.5
95.01327	0.6
99.00898	2.2
101.02451	2.3
108.02192	1.1
109.02959	0.7
113.02450	0.9
115.82482	0.6
119.05042	1.9
127.00369	10.9
129.01936	0.7
135.04512	4.5
149.00897	4.0
149.06107	0.9
157.01428	1.3
161.04588	1.9
163.03990	4.4
165.04056	1.6
177.05609	2.4
179.03557	2.4
189.05661	1.8
207.06587	0.7
251.11340	2.9
311.07834	1.2
315.95279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03442	1.7
59.01372	7.8
61.98830	1.2
70.81531	1.0
70.81854	2.1
73.02937	1.2
99.08170	3.5
113.09696	3.3
127.11313	1.1
127.23155	1.2
129.09192	5.5
139.11221	1.2
169.12262	1.9
171.10249	6.4
181.12302	4.1
183.01268	1.7
183.13756	2.2
193.12309	2.9
197.11848	10.4
199.13380	4.6
199.50885	1.1
209.11600	1.3
211.13341	18.4
219.65483	1.1
247.89293	1.0
250.34392	1.0
253.93637	1.1
293.21213	22.0
294.21439	2.8
311.16568	2.7
311.22247	100.0
312.22574	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	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
58.48029	2.9
59.01373	30.3
61.98825	6.6
70.34845	6.7
71.01395	2.6
82.29108	2.7
88.91981	2.9
97.06589	3.2
99.08130	5.3
99.72979	2.4
103.51234	2.5
113.09731	3.4
129.09210	13.6
139.11304	2.6
153.12828	4.9
167.35391	3.0
181.12299	8.4
181.26588	2.8
183.01170	6.2
183.13811	4.6
197.11801	12.9
199.13356	3.0
211.13387	22.7
213.14948	95.5
214.15324	8.3
217.47702	2.5
242.02106	3.5
251.11325	4.0
264.38525	2.5
293.21182	98.5
293.31854	2.9
294.21570	13.4
311.09216	5.4
311.16931	14.8
311.22217	100.0
312.22586	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	311.2226
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
57.03455	1.3
59.01374	5.5
61.98809	0.6
65.75079	0.7
65.77062	0.6
69.03452	0.9
70.78464	1.9
83.05032	0.9
86.86005	0.7
89.67623	0.8
98.20496	0.7
99.08146	2.5
113.09747	3.4
127.11286	1.6
129.09186	6.7
139.11226	3.2
149.67905	0.8
151.11345	1.1
155.10753	1.1
167.10782	1.0
169.12309	2.9
171.10254	13.6
181.12299	5.7
183.01204	1.0
183.13861	3.2
185.11771	1.6
193.12308	1.9
196.14545	0.6
197.11797	9.2
199.13345	4.7
201.11252	2.2
211.13374	17.1
212.13713	1.1
251.11519	0.6
265.21646	0.8
275.20258	2.3
293.21194	15.6
294.21445	1.3
300.16898	0.8
311.22250	100.0
312.22592	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0717
Annotation	Sylpin
Peak:m/z	Relative Intensity
51.80259	0.2
59.01358	0.6
60.97005	0.2
61.98814	0.2
62.13930	0.2
69.20019	0.2
70.41820	0.7
75.50791	0.2
77.03952	0.2
84.39750	0.2
89.02425	0.2
93.03453	0.5
102.17934	0.2
106.75365	0.2
111.26242	0.2
121.02950	100.0
122.03283	3.5
140.29222	0.2
151.03981	0.4
180.05794	1.0
181.06581	4.4
182.06862	0.3
225.05548	6.8
226.05814	0.6
235.16943	0.2
241.47319	0.2
269.08206	0.5
313.07153	17.0
313.18005	0.6
313.23669	0.6
314.07458	1.4
333.59851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.3
57.03436	2.5
59.01378	12.1
68.99821	2.9
69.41945	13.8
71.01380	26.3
72.99291	5.2
73.02943	35.0
75.00868	13.8
83.01397	5.7
85.02952	7.0
87.00872	25.8
95.01389	2.4
98.19859	3.3
99.00877	11.7
101.02433	34.1
107.00541	2.4
107.05043	10.8
107.05663	2.1
108.02170	36.2
111.00884	16.8
113.02444	10.5
121.02918	3.1
123.04475	10.7
127.00377	2.4
129.01936	36.1
135.04494	2.0
136.74448	2.0
141.01968	1.9
150.03264	1.9
151.03999	10.1
153.05603	15.0
156.14491	1.7
159.02974	100.0
160.03343	4.2
177.03120	1.9
253.09277	2.0
313.09503	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	313.0927
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
51.07007	1.2
55.01865	2.2
57.03428	1.2
59.01369	7.0
59.18149	1.2
60.07433	1.2
61.31137	1.3
71.01377	36.5
73.02937	12.0
83.01373	3.8
85.02943	18.8
87.00892	1.8
89.02442	3.3
89.06226	1.2
93.03461	3.0
95.01411	3.0
95.05048	1.3
95.91832	1.3
97.03005	1.5
99.00883	4.1
101.02423	20.9
106.04265	7.3
107.05022	76.2
108.02177	1.7
108.05363	3.6
113.02441	14.1
120.69768	1.2
121.02944	3.3
121.18562	1.2
123.04501	10.9
130.74411	1.4
138.19574	1.3
150.03215	15.5
151.04001	100.0
152.04309	4.4
159.02908	2.0
161.04567	10.4
254.03143	1.2
313.09250	2.0
314.10028	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23422	0.3
53.84229	0.3
55.01889	0.3
56.89016	0.3
57.03436	0.7
59.01377	3.8
69.03466	0.5
69.47289	0.7
69.47698	1.7
71.01386	3.0
72.99290	0.4
73.02941	2.2
75.00876	1.0
81.67985	0.3
83.01385	1.0
85.02942	0.9
87.00860	0.8
89.02435	2.4
95.01401	0.6
98.19964	0.7
99.00867	1.4
101.02437	2.5
107.05044	1.6
108.02173	0.9
109.02946	3.5
111.00886	2.8
113.02438	2.1
119.03490	1.0
122.03734	0.4
123.00868	0.5
123.04488	0.8
123.58510	0.3
124.01642	0.9
125.02453	0.5
127.00369	0.5
129.01949	1.5
135.04514	0.4
137.02408	0.3
141.01978	0.5
149.06102	0.4
150.03212	1.5
150.06732	0.4
151.03996	100.0
152.04324	5.0
159.02962	3.3
165.05624	0.4
179.05585	1.4
181.05055	0.4
185.79018	0.4
186.11398	0.6
198.68822	0.3
219.55655	0.3
237.07697	0.4
249.28351	0.3
270.13501	0.8
303.58105	0.7
313.09259	11.1
313.12445	0.4
314.09293	0.5
314.12671	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	313.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72302	0.3
58.86642	0.2
59.01371	0.7
61.98820	0.3
70.01928	0.4
70.02307	0.5
121.02951	0.4
140.74146	0.3
151.03908	0.5
186.23489	0.3
204.51405	0.3
213.09113	0.3
214.09952	2.0
215.10730	1.2
217.12263	0.4
227.10735	4.5
228.11166	0.9
253.09184	0.4
255.13858	0.6
269.15393	2.5
281.12845	0.4
285.18698	0.3
295.02512	0.3
295.21796	0.3
297.14804	0.7
298.15546	0.3
313.18063	100.0
314.18408	11.8
318.63727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2382
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
52.52320	0.5
59.01366	1.4
61.98822	1.2
69.14214	4.6
69.14616	0.7
71.01359	0.7
71.05019	0.6
97.06556	0.9
98.19871	1.1
108.02197	0.6
125.09716	0.7
127.11262	0.9
134.97743	0.6
139.11319	0.6
141.12854	1.0
155.10739	3.0
169.50497	0.5
171.10237	4.8
179.96895	0.6
253.09294	1.2
267.23218	0.8
277.21655	0.9
283.17096	2.0
295.22775	7.8
311.22113	1.1
313.17862	3.5
313.23810	100.0
314.24173	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	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03426	0.7
59.01378	16.3
71.01376	10.5
71.02351	1.4
72.99314	2.1
79.35614	1.0
81.03426	0.9
85.02954	4.5
89.02432	9.0
93.03453	0.9
95.01381	1.4
101.02411	6.3
107.04978	1.0
108.02166	100.0
109.02976	28.9
113.02433	4.1
119.03485	4.0
121.02934	1.5
123.04508	3.9
133.66704	0.7
135.04523	6.5
151.03998	1.6
152.01140	63.5
153.01927	27.4
153.05534	4.2
153.60863	0.8
161.04546	0.8
163.03947	1.2
165.01904	1.8
179.05821	0.8
225.04060	0.8
300.02847	0.8
315.07199	83.9
316.07501	7.3
338.01254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
52.64697	1.2
57.03424	1.4
58.00574	2.6
59.01374	74.5
65.03950	2.7
67.51467	1.0
68.99837	1.7
71.01374	40.0
71.42831	1.2
71.50957	1.7
72.99304	14.2
73.02956	1.5
75.00857	2.0
79.78494	1.0
81.03479	1.6
83.01367	1.5
84.27715	1.2
85.02934	5.5
87.00867	4.0
89.02441	43.3
95.01357	2.5
99.00867	2.4
101.02439	21.2
105.01926	86.0
107.05010	3.0
108.02166	100.0
109.02984	26.3
110.03298	1.5
113.02444	15.1
114.98580	1.3
119.03494	19.0
120.00047	1.0
121.02973	1.3
121.06593	1.5
123.04514	21.8
131.03473	1.3
134.03735	3.9
135.02951	3.8
135.04520	26.9
136.04832	1.3
139.04013	4.3
143.03551	1.3
151.04021	1.2
152.01138	46.0
153.01935	23.4
153.05560	29.6
154.02420	1.0
161.00992	2.0
161.04514	2.5
163.03993	1.6
165.01860	1.4
165.05548	1.9
167.03503	1.9
169.36214	1.1
175.02396	1.4
179.05667	1.8
196.88603	1.2
204.66313	1.2
207.05226	1.1
209.04504	9.1
261.29752	1.1
289.53036	1.3
315.07230	61.8
315.10818	6.5
316.07602	4.1
324.36469	1.3
331.10324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06855	0.7
57.03439	0.8
57.36655	0.8
58.00582	3.3
59.01376	100.0
60.01728	1.1
69.61911	0.6
69.62099	1.1
69.62505	2.7
71.01374	51.5
72.99317	4.4
74.43427	0.8
83.01387	2.0
85.02948	9.1
87.00858	2.2
89.02441	66.1
90.02777	1.0
95.01408	2.8
101.02438	29.0
107.05020	2.9
108.02164	25.5
109.02991	0.9
113.02446	23.2
119.03500	26.4
123.04517	3.0
127.80570	0.8
131.03485	2.3
134.03737	3.5
135.04517	31.4
136.04807	1.2
136.96707	0.9
143.03484	2.7
149.04559	1.4
153.05566	5.3
161.04561	1.7
166.49255	0.8
179.05565	3.0
313.12250	0.9
315.07352	1.3
315.10724	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	315.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
57.01147	0.9
57.03431	5.3
58.00595	3.6
59.01377	52.5
65.41193	1.1
70.83257	2.5
71.01378	100.0
72.01705	1.5
72.99306	3.3
73.02938	23.8
75.00853	1.3
78.76755	1.0
83.01375	10.7
84.02132	1.2
85.02945	39.3
85.60113	1.0
87.00862	1.7
89.02440	24.0
95.01382	8.0
96.96006	3.2
99.00864	13.3
101.02435	56.4
102.02792	1.2
113.02445	38.3
119.03504	8.1
125.02467	1.2
129.01981	1.5
143.03496	2.7
159.02954	6.5
161.04543	22.7
210.85909	1.0
215.43428	1.0
251.76486	1.1
315.04965	1.4
315.18384	1.3
315.25061	1.1
317.09946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98826	0.3
63.24380	0.2
68.85839	0.2
71.01371	0.3
80.88618	0.2
83.05031	0.4
89.02426	0.2
98.20642	0.5
101.51857	0.2
113.02460	0.2
119.03470	0.2
119.05019	0.2
145.02901	0.2
172.45824	0.2
175.81812	0.2
201.09154	0.4
209.27689	0.2
213.09175	0.4
214.06259	0.3
215.10707	0.7
227.10744	2.5
228.11061	0.5
241.12335	0.4
243.10277	0.2
253.15898	0.4
258.97299	0.2
269.15503	0.9
270.15945	0.3
283.17010	6.9
284.17346	0.9
285.15335	0.3
285.18536	2.7
286.12070	0.2
286.18744	0.2
299.16431	0.4
300.02835	0.5
302.15137	0.2
315.19595	100.0
316.19937	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	315.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04234	0.5
52.17506	0.5
54.87482	0.5
59.01377	2.5
61.85734	0.5
61.98831	0.9
70.65942	1.1
70.66290	0.6
83.05024	1.0
89.02448	1.1
91.02198	1.9
91.11798	0.6
101.02412	0.6
104.05684	0.5
107.35841	0.5
129.06755	0.5
134.89433	0.6
153.05508	0.5
156.25327	0.6
229.40189	0.5
259.70728	0.5
268.82196	0.6
287.19748	0.7
292.89468	0.6
300.02670	1.5
301.49689	0.5
315.05075	1.5
315.19617	100.0
316.19983	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	315.196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.6
61.98844	0.5
71.34465	1.0
82.75204	0.5
89.02431	0.8
95.30260	0.5
109.02914	0.5
121.13732	0.5
131.69334	0.5
141.12885	0.5
150.84825	0.5
266.99728	0.5
269.19003	0.6
285.18521	1.5
287.20111	4.3
297.24246	1.2
300.02713	1.3
310.27670	0.5
313.24039	0.6
315.05121	2.2
315.19611	100.0
315.25092	16.3
316.19965	12.2
316.25684	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	317.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00462	0.3
63.12096	0.3
69.17689	1.9
69.18111	1.4
74.10855	0.3
89.47411	0.3
94.06621	0.5
98.19949	0.7
104.05064	1.3
108.02160	2.7
111.00790	0.4
118.02955	1.4
120.04591	0.4
121.05334	0.4
122.06113	5.1
123.00912	1.9
123.04505	1.1
124.01658	1.2
124.04077	0.4
124.07680	4.4
130.02972	0.5
131.03763	0.6
132.04543	0.6
136.07672	11.3
137.04744	0.4
137.08015	0.4
149.04770	0.8
150.05580	2.2
152.07205	0.4
157.07722	0.4
161.07228	0.4
162.03307	0.4
163.03914	0.4
164.03508	2.1
168.06497	0.4
181.03761	1.2
185.07133	2.3
185.28870	0.3
196.07637	2.2
197.07130	0.5
198.04327	1.3
198.07953	0.3
200.10835	1.1
203.08215	0.8
210.09344	0.6
211.05099	0.5
212.10779	1.2
224.83473	0.4
225.06714	1.9
225.10291	0.6
226.07422	1.9
227.08228	8.1
227.11890	1.1
228.08437	0.7
229.13545	0.4
230.11766	0.7
237.10304	1.2
238.08595	0.4
239.08220	3.3
240.09024	5.5
243.11337	5.0
255.11368	26.8
256.11621	2.7
258.09918	0.5
272.07144	1.3
273.12415	100.0
274.12756	9.7
287.09247	5.3
288.09595	0.5
317.11365	10.4
318.11603	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72105	1.9
59.01354	4.6
78.95863	1.6
93.13656	1.5
98.19893	4.3
106.06617	90.1
107.06978	3.9
110.02494	2.7
111.04473	2.0
116.05055	3.7
119.03359	1.8
120.61826	1.8
122.06125	3.4
123.03291	2.7
131.82106	1.8
132.04605	2.4
134.06058	2.3
135.30783	1.9
138.05614	20.0
140.07161	18.0
144.08156	2.6
150.05602	10.5
152.03528	39.7
153.03743	2.0
157.08940	2.0
158.46887	1.7
163.34924	1.6
165.45569	1.8
166.05078	18.6
167.05862	100.0
168.06198	5.3
170.09740	4.4
171.10545	1.9
186.12798	12.5
200.07126	1.7
201.07906	16.3
215.09543	9.9
225.06764	2.7
226.07443	5.1
227.11827	3.0
230.11844	38.3
231.12170	4.7
240.08966	6.8
243.11249	1.7
255.11377	50.4
256.11572	1.8
262.28986	1.8
270.11459	1.8
273.12424	67.3
274.10367	8.8
274.13242	3.2
287.20148	12.7
299.10379	14.1
299.20084	6.1
317.11362	75.9
317.21143	9.8
318.11758	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	317.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
57.03411	1.3
58.00596	4.4
59.01379	100.0
60.01712	1.5
64.50255	0.7
69.03458	0.9
69.70915	2.0
69.71317	2.5
71.01381	62.3
72.01725	1.6
72.99291	3.8
73.02950	4.2
83.01387	4.1
85.02945	13.0
87.00867	3.1
89.02442	72.5
90.02758	1.2
95.01370	4.5
99.00867	2.4
101.02438	39.9
102.02739	1.4
108.02177	1.5
110.03716	1.3
111.04507	0.9
113.02446	24.8
114.02769	1.6
116.05064	1.3
119.03498	34.3
119.37121	0.9
125.06084	5.6
131.03514	2.8
137.06078	1.6
143.03500	5.4
149.04547	2.7
155.07121	5.6
159.03044	1.7
161.04555	14.5
162.77448	0.8
162.90977	1.0
179.05611	8.1
181.82301	0.9
225.89243	0.8
317.12366	15.3
318.12698	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1393
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
54.16285	1.0
57.03444	1.8
58.00576	1.4
58.77148	0.9
59.01376	36.7
71.01379	19.7
71.53355	1.3
72.99299	1.7
73.02947	4.2
83.01385	2.5
84.02164	2.0
84.86172	1.0
85.02938	6.4
87.00874	1.7
89.02433	16.9
89.15964	0.9
95.01380	2.2
101.02428	14.1
111.08154	20.2
113.02455	7.4
115.64632	0.9
119.03487	6.3
130.03935	1.0
136.07654	2.2
137.02385	1.0
138.05577	2.7
139.07629	6.2
144.94063	1.0
150.03226	3.0
153.09149	1.0
157.08685	57.1
158.09029	3.5
161.02406	1.3
161.04468	1.6
179.03459	1.1
184.06163	1.2
184.07831	1.2
189.94226	0.9
199.09790	2.7
257.12961	1.0
318.58801	2.7
319.13956	100.0
320.14197	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1395
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01637	0.9
55.01870	5.7
57.03434	3.5
58.00579	2.6
59.01376	100.0
68.14661	0.8
70.55558	2.8
71.01379	92.3
72.01723	1.2
72.40273	0.9
72.99308	5.1
73.02943	24.7
75.00864	1.1
83.01396	10.0
83.21509	0.8
85.02943	34.5
87.00875	4.8
89.02440	51.4
90.02775	1.0
95.01376	8.5
95.66651	0.9
97.02950	1.7
99.00861	8.4
101.02436	60.0
102.02773	1.4
102.25172	0.8
109.06590	3.5
111.04507	4.9
113.02441	38.4
113.28205	0.8
114.02761	1.5
119.03493	21.2
119.04340	1.3
122.84365	0.9
125.02472	1.6
131.03499	2.6
131.28023	0.8
139.07645	2.4
143.03490	6.3
149.04587	1.1
157.08701	26.2
158.09023	2.0
159.02992	6.3
161.04546	59.2
162.04877	2.4
176.36510	0.9
179.05566	4.9
227.35452	0.9
319.13940	51.0
320.14249	5.5
324.23318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08069	0.6
57.43715	0.6
58.02740	0.7
58.02979	6.1
59.01373	4.1
59.25333	0.6
60.87225	0.6
69.36290	5.3
71.01391	1.3
72.00911	4.7
73.28545	0.6
80.47828	0.7
82.06605	2.7
85.02913	0.7
85.46865	0.6
91.05525	10.5
91.72269	0.6
103.05554	1.6
112.07697	2.3
113.02405	0.9
118.06608	3.4
126.09247	2.3
129.10336	62.1
130.10670	2.0
135.04526	0.8
147.04514	22.4
148.04851	1.6
153.10327	2.9
154.08731	8.1
161.04579	0.8
164.07158	56.7
165.07484	2.9
171.11383	42.9
171.12523	0.9
172.11696	2.3
216.13847	1.0
233.16573	33.3
234.16896	2.6
262.10840	0.7
275.17661	4.3
277.15640	2.6
319.16599	100.0
320.16885	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	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01701	0.9
69.34917	3.8
71.01369	2.8
71.51199	0.5
76.54601	0.5
85.02975	0.6
87.49934	0.5
89.02433	4.2
101.02450	2.1
107.22449	0.5
113.02493	1.0
119.03499	1.4
139.08633	0.4
179.05690	0.6
273.35080	0.5
321.15604	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
58.00593	2.0
59.01074	1.6
59.01376	55.1
61.98827	100.0
65.03970	6.1
69.42599	5.2
69.43009	2.3
71.01377	27.8
72.99306	1.8
73.02938	1.4
77.51633	1.2
79.27525	1.3
83.01362	1.3
85.02958	6.7
89.02435	23.7
95.01396	1.9
101.02436	14.9
113.02451	12.8
119.03503	11.8
121.06591	2.4
128.95100	1.1
131.03574	1.4
139.04002	9.2
143.03546	2.2
161.04543	2.7
165.05577	3.6
179.05580	1.9
183.06624	18.7
227.05592	3.6
323.13440	59.2
335.39929	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57818	1.3
58.02972	22.8
59.01372	10.6
63.17584	1.2
66.22711	1.1
69.64482	3.0
69.64895	6.7
71.01362	1.9
102.05599	43.3
105.95053	1.4
114.05573	3.5
118.05093	5.4
128.03528	53.3
129.03877	1.8
132.02167	1.8
133.02942	4.9
134.03734	46.6
135.04251	1.8
137.15897	1.2
142.05069	4.7
146.04581	100.0
147.02998	1.4
147.04871	2.7
149.06050	19.8
155.64851	1.3
160.01665	10.2
160.06142	72.7
161.02451	13.3
161.06458	3.1
172.02577	1.7
175.03983	17.1
177.05487	2.0
186.60130	1.3
193.05060	14.7
221.34961	1.7
232.09747	5.2
278.10138	2.8
304.08221	10.1
312.44348	1.3
322.09262	33.4
323.09576	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	1.6
59.01375	6.0
61.98832	2.3
64.13213	0.9
71.01378	1.2
71.52344	1.7
89.03937	1.4
93.08917	1.0
102.05608	12.4
113.02431	1.4
117.03448	3.4
119.64808	1.0
128.03532	34.6
132.02180	1.2
134.03732	100.0
135.04233	2.9
146.04590	49.2
147.04871	2.3
148.05275	2.9
149.06061	48.5
150.06390	2.0
160.01608	8.8
160.06096	4.7
161.02400	4.0
162.03207	2.5
172.02487	2.5
173.08165	1.1
175.03976	21.8
177.05553	2.1
192.06703	1.9
193.05034	27.4
194.05336	1.7
204.06677	1.4
218.08057	1.9
232.09738	9.3
234.11211	1.2
260.09238	1.2
278.10364	5.4
301.29910	1.2
304.08234	19.7
305.08472	1.8
322.09283	53.7
323.09747	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	323.067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59769	1.1
57.03435	1.3
59.01371	6.4
61.98824	1.5
69.23012	9.8
71.01396	2.2
72.99306	1.5
86.48598	1.0
88.04035	4.1
89.92275	1.1
90.98553	1.3
101.02427	1.5
117.04651	1.6
118.02975	2.2
132.04546	1.8
133.02892	1.7
134.02490	2.3
135.04488	2.5
144.04549	24.4
145.04053	12.8
145.05013	1.7
146.02454	6.8
147.03238	1.6
159.01955	1.6
160.04039	13.5
160.93361	1.1
161.02423	2.1
161.03558	8.5
167.06201	1.4
168.04515	19.2
169.03957	1.6
175.05139	1.7
177.03996	2.8
180.08148	1.9
193.00969	1.1
195.05583	9.7
196.04083	1.2
203.37581	1.3
207.05489	1.4
209.07133	1.4
210.05574	2.3
220.84879	1.0
223.05075	13.9
223.08739	1.7
233.07260	2.6
234.05566	1.9
235.05067	2.6
247.05238	1.7
249.06451	1.9
249.12552	2.0
251.04590	75.9
251.08133	9.7
252.04782	5.0
252.07132	6.3
261.06671	8.8
262.05066	2.7
263.05603	1.8
264.05359	25.4
265.05530	2.3
279.07709	100.0
279.53671	1.2
280.08090	9.0
293.11542	2.3
301.55118	1.2
313.24203	1.2
323.06656	9.0
323.12299	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25429	1.0
56.78283	0.8
57.03449	5.2
59.01363	3.8
59.42370	0.8
61.64439	0.8
85.02943	18.0
91.74786	0.8
101.02438	9.8
103.04000	9.5
117.03464	1.1
120.30245	0.9
125.07755	0.9
129.01932	74.1
134.03731	17.3
144.78912	0.9
147.02988	100.0
148.03302	2.7
149.05965	1.0
157.64957	1.1
161.02390	1.3
163.07455	1.0
179.12488	0.9
193.05019	11.5
193.56938	1.0
246.49271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.077
Annotation	Skimmin
Peak:m/z	Relative Intensity
59.01381	4.6
62.30083	0.7
70.95187	1.1
70.95515	1.3
75.08416	0.6
82.91789	0.9
85.02946	36.0
89.03991	0.7
99.11476	0.7
101.02440	26.0
101.56252	0.8
102.02785	1.0
103.03947	0.8
117.03444	5.4
129.01941	100.0
130.02261	2.9
133.02904	1.0
134.03735	57.9
135.04073	1.7
137.02423	1.9
138.72800	0.8
139.04018	0.9
145.02899	1.1
147.02982	7.2
149.06062	5.0
178.02707	3.3
179.03601	0.9
193.05046	61.4
194.05379	4.4
295.43274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20861	0.7
59.01376	100.0
60.01711	1.3
71.01378	5.5
73.02978	1.2
81.63718	0.7
85.02953	1.5
89.02454	3.1
101.02432	3.5
113.02457	2.5
119.03490	1.6
161.04561	3.2
172.07870	0.7
184.55659	0.7
263.11404	2.2
323.13290	4.1
347.89758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.5
58.00576	2.4
59.01376	95.5
59.28150	1.2
71.01379	41.7
71.07683	2.8
71.23323	1.3
72.99323	2.2
83.01394	2.4
85.02948	8.8
85.79169	1.1
87.00873	3.7
89.02438	46.5
90.02780	1.4
95.01369	3.4
101.01802	2.1
101.02434	27.6
113.02443	16.0
119.03493	22.3
127.80766	1.2
131.03510	1.7
143.03482	2.7
146.71614	1.2
149.04527	1.9
156.84883	1.3
161.04498	2.0
176.01573	1.3
179.05582	3.0
323.13455	100.0
323.84937	1.3
324.13928	9.2
337.45535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79146	3.0
53.33452	2.4
54.82408	3.1
55.01877	3.1
57.03441	7.7
59.01375	28.5
61.98817	2.6
68.24900	2.8
69.03457	4.8
70.03349	2.4
71.01384	4.6
71.05028	9.8
71.53111	4.5
73.02947	2.5
80.02663	2.9
81.03458	9.3
83.01383	20.2
83.05034	7.6
85.02966	2.5
95.05016	27.2
96.96019	2.8
97.02964	3.2
97.06583	15.5
99.04522	3.6
109.02964	2.6
109.06580	7.0
113.06110	3.0
114.42464	2.3
119.05096	3.1
121.06608	4.4
123.04514	7.6
123.08163	6.5
125.06051	5.3
125.09702	30.1
126.10126	2.4
130.08778	2.9
133.06520	3.5
135.08160	18.0
137.06107	3.6
141.12843	4.6
153.09167	3.9
163.11276	7.3
165.12851	3.2
167.10683	3.0
177.85742	2.5
185.11797	24.5
186.86719	2.5
187.01263	2.5
189.12813	7.1
191.10767	6.3
193.12521	2.8
197.11844	3.2
203.14389	9.5
207.10303	2.7
209.11816	100.0
210.12167	6.0
211.13382	5.1
221.11830	4.4
223.13463	3.4
225.11363	2.9
235.13359	3.1
237.14948	4.9
243.17549	8.6
247.13364	6.8
265.14374	34.0
287.16461	8.4
300.40204	2.8
305.17484	20.1
323.15067	5.5
323.18570	48.9
324.18976	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	323.186
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.04944	2.8
56.69766	2.1
57.03446	12.4
59.01371	22.3
59.76130	2.1
60.69558	3.0
61.98833	3.6
69.03472	3.8
69.30338	8.6
69.30779	10.5
71.01373	6.5
71.05010	9.4
81.03455	6.0
83.01382	15.2
83.05030	7.8
85.02926	3.3
93.03434	3.2
95.05018	20.4
96.96009	2.8
97.06568	15.5
99.92560	2.4
106.04192	3.8
109.06570	6.9
111.08159	2.4
113.06073	3.9
121.02939	2.9
121.06597	2.4
123.04558	4.7
123.08132	4.5
125.06044	2.5
125.09724	23.3
135.08134	12.4
142.99791	2.2
147.04475	2.8
149.09689	6.9
151.11266	5.1
163.11235	11.0
165.12856	11.6
167.10716	3.2
174.96521	2.8
181.12354	12.8
185.11830	14.7
189.12802	3.2
191.10756	9.2
203.14375	9.3
207.10170	2.9
209.11797	100.0
210.12120	5.4
211.13423	3.6
223.13344	2.9
237.14963	23.2
243.17509	6.6
247.13310	8.8
265.14352	20.2
287.16583	13.7
305.17581	22.9
323.18582	24.3
324.18973	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2224
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
58.09756	0.7
59.01381	5.6
60.17933	0.6
61.98828	1.1
66.81837	0.6
71.35860	1.3
94.08135	0.7
123.04523	0.9
137.06050	0.8
151.07655	0.7
156.04352	1.0
165.09149	1.8
165.12854	1.8
189.12846	1.1
198.29950	0.7
225.14877	0.9
258.56158	0.8
261.22171	4.9
291.19586	1.1
305.21194	100.0
306.21548	10.9
323.18488	1.2
323.22266	22.4
324.22662	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	325.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.5
71.01378	4.1
71.49881	1.5
71.50220	1.0
72.99313	1.2
82.68583	0.8
82.72147	0.9
85.02931	1.8
87.00867	8.6
89.02435	1.7
89.03950	1.7
93.03427	1.1
101.02423	2.4
103.00359	3.9
112.98801	13.3
113.02435	1.5
115.00372	2.1
117.03444	7.6
133.01408	4.2
134.03737	79.0
135.04092	3.7
137.02470	1.2
145.05128	1.4
149.00920	4.1
149.06088	7.6
151.04016	1.6
163.03918	1.0
173.04530	3.4
178.02783	4.7
178.04150	1.1
193.05040	100.0
194.05379	5.5
202.26816	1.0
325.11218	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.7
70.17445	0.7
70.88369	1.4
71.01350	0.6
72.99306	1.0
75.00890	0.8
82.04652	0.6
87.00872	7.5
87.80472	0.7
88.88470	0.6
89.02467	0.7
89.03983	1.1
90.56946	0.7
93.03461	1.4
93.45817	0.7
103.00327	3.3
112.98808	8.5
116.70924	0.7
117.03458	6.1
119.05020	100.0
120.05335	4.5
124.68420	0.6
130.08299	0.6
133.02927	0.8
134.03732	59.8
135.04060	3.1
137.02388	0.9
145.02901	1.6
149.00917	3.0
149.06062	5.1
163.03999	88.2
164.04314	4.7
173.04533	2.1
178.02728	3.7
178.55115	0.7
179.05637	3.0
193.05038	77.3
194.05347	3.9
333.33932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0714
Annotation	Demethoxykanugin
Peak:m/z	Relative Intensity
57.43192	0.6
65.03973	0.7
67.01894	5.4
69.03466	0.6
69.79530	3.1
79.01864	0.5
79.34082	0.6
81.03464	1.2
93.03451	1.4
98.20676	0.6
98.40386	0.6
98.48618	0.5
107.01350	0.6
108.02175	3.5
109.02948	20.8
110.03305	0.6
115.05523	0.6
119.05021	2.3
121.02959	5.6
123.00911	1.3
124.71078	0.5
129.03476	1.0
130.04193	0.7
131.05026	3.1
132.02107	0.6
133.02979	1.5
135.04488	0.9
136.01653	17.7
137.02438	100.0
138.02811	4.6
143.05000	1.3
145.02969	1.1
145.06570	1.3
146.03709	1.3
147.04524	6.0
149.02399	5.9
150.03079	0.6
157.02948	0.6
158.03732	1.5
159.04517	7.9
161.02443	4.3
161.06067	1.9
162.03133	0.6
163.04005	3.4
171.04515	1.8
173.02420	1.3
174.03212	7.1
175.04001	26.3
176.04366	1.3
177.05505	0.7
181.43257	0.6
185.02417	3.5
187.02298	1.3
187.03992	23.6
188.04761	6.9
189.05550	19.0
190.05914	1.0
202.02612	0.9
203.03471	13.4
204.03816	1.4
215.03514	3.2
239.07323	1.0
261.05527	1.1
265.04913	0.8
267.06497	1.6
279.06567	1.0
281.04550	0.9
281.08136	1.7
289.05026	0.8
292.03885	0.6
295.06052	2.4
297.07672	2.1
298.07990	0.5
307.05960	2.6
308.06720	0.7
323.05588	0.9
325.07156	50.6
325.20032	1.1
326.07495	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	325.0715
Annotation	Demethoxykanugin
Peak:m/z	Relative Intensity
55.90644	0.6
57.98054	0.6
67.01886	6.5
67.89455	0.7
69.79870	4.0
78.14862	0.9
93.03463	1.0
98.19975	1.2
100.84585	0.7
108.02168	3.9
109.02943	21.8
119.04987	1.8
121.02955	4.5
123.00882	1.0
123.04604	0.8
130.04329	1.5
131.05011	2.7
133.03011	1.2
135.04546	1.2
136.01656	16.0
137.02435	100.0
138.02744	4.0
143.04970	1.0
145.02910	1.1
146.03763	0.8
147.04546	4.0
149.02434	7.2
150.41112	0.9
158.03734	1.7
159.04500	8.5
161.02420	3.2
161.06039	2.6
163.03966	2.5
171.04427	1.3
173.02483	1.0
174.03165	6.4
175.03987	26.9
175.05524	1.3
176.04257	1.3
185.02455	3.0
187.03976	23.7
188.04759	6.8
189.05563	20.8
190.05879	1.6
203.03476	13.9
215.03438	3.0
238.06490	0.8
253.05034	1.2
265.05081	0.9
267.06427	1.7
279.06604	1.4
281.08154	2.3
295.05994	3.3
297.07767	3.8
307.06030	2.3
323.05481	1.3
325.07135	49.1
326.07266	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	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
69.37673	4.6
75.00862	6.6
81.03448	1.4
85.02943	1.3
85.48706	0.6
87.00874	1.8
93.03459	2.5
99.00887	0.8
99.04562	0.7
114.07816	0.6
117.03437	0.9
119.05019	100.0
120.05373	4.7
133.60687	0.7
143.03522	1.4
145.02936	1.3
161.04510	3.3
163.03998	95.3
164.04346	5.6
179.05594	17.5
179.07190	0.7
191.05597	10.7
192.06058	0.6
325.09302	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
63.55064	0.5
70.26258	0.9
71.01377	0.5
92.79385	0.5
93.03436	0.4
94.08421	0.4
95.03437	0.4
100.46741	0.4
117.03474	2.2
119.05023	100.0
120.05369	4.8
145.02945	11.8
163.04002	78.1
164.04349	4.5
187.03960	0.6
325.09320	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45290	0.6
59.01374	2.8
69.46445	2.1
69.46868	1.6
71.01373	2.1
73.02951	1.3
75.00875	3.9
77.80147	0.5
81.03468	1.7
86.26614	0.5
87.00848	0.8
89.02445	0.7
93.03439	0.7
96.95979	1.5
99.00885	1.6
99.04519	1.9
102.80222	0.5
117.03432	1.3
119.05022	59.8
120.05341	2.5
121.63924	0.6
123.03485	0.6
135.04544	0.8
135.62442	0.5
143.03488	1.1
145.02924	4.6
161.04538	3.5
161.06096	1.9
163.03998	100.0
164.04337	6.9
179.05609	11.9
187.04051	0.7
205.05019	1.8
235.06076	2.1
265.07108	2.9
325.09338	4.1
326.09546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98774	0.8
52.45706	0.9
57.97913	1.0
59.01374	7.0
71.01374	3.4
71.05003	1.6
71.16624	2.0
72.99304	2.7
73.02941	2.4
75.00870	33.8
76.47826	1.0
81.03451	3.5
81.68549	0.9
85.02955	0.8
87.00875	3.2
90.91103	0.9
99.00871	3.0
99.04507	1.8
114.07867	1.0
117.03428	1.1
119.05019	22.3
121.41872	0.9
143.03493	8.3
145.02917	3.3
147.01118	1.0
161.04552	4.6
161.05983	1.2
163.04007	24.0
164.04356	1.3
179.05598	100.0
180.05959	3.2
205.05006	1.5
248.06769	0.9
265.07071	2.0
285.86771	0.8
310.08646	1.2
325.09317	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25525	0.4
59.01372	5.8
69.25354	2.3
71.01373	2.9
75.56571	0.2
85.02946	0.6
89.02438	2.5
101.02444	1.0
113.02430	0.9
117.03456	21.8
118.03017	0.3
118.03761	1.2
119.03605	0.5
119.05014	7.4
120.05343	0.4
133.06573	0.6
145.02940	100.0
146.03285	6.0
159.04448	0.6
161.04657	0.5
161.06061	1.1
163.03993	11.4
164.04320	0.6
177.05591	0.3
187.03981	3.8
193.05072	0.3
205.05040	1.3
206.05154	0.3
235.06206	0.7
265.07126	2.6
325.09198	7.3
326.09720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26207	0.6
59.01377	100.0
60.01711	0.9
61.98833	0.9
70.46107	2.4
71.01395	3.3
73.02930	1.5
75.00858	0.7
79.00117	0.6
85.02962	1.9
87.00890	1.6
89.02480	0.9
93.03454	1.2
99.00901	0.7
101.02454	2.8
111.45226	0.6
112.53991	0.5
112.98810	1.6
113.02457	1.9
117.03474	1.6
119.05065	4.5
134.03755	12.8
134.04755	9.8
145.02963	1.2
147.71526	0.7
149.00937	0.7
149.06097	0.6
151.03986	1.0
156.23022	0.7
161.04510	4.6
163.03993	7.9
168.95004	0.6
173.04506	3.4
178.60162	0.7
179.05669	0.7
188.32178	0.6
191.05637	1.3
193.05038	14.9
193.06813	0.9
194.05484	0.9
253.27985	0.7
265.12900	9.4
265.15512	0.7
278.91766	0.7
305.45709	0.6
318.78354	0.7
321.48761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89966	0.3
55.54004	0.3
61.87435	0.3
69.30723	1.3
69.31149	1.1
72.03972	0.3
73.41524	0.3
79.95734	1.0
108.68122	0.3
119.05013	1.2
135.53119	0.3
170.00407	1.0
183.01193	42.8
184.01700	3.2
197.02763	2.6
198.03534	0.5
216.01001	1.1
225.05978	0.5
239.07402	0.8
297.69000	0.3
325.18396	100.0
326.18729	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	325.2017
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03439	8.0
59.01367	12.9
65.15637	2.0
67.01881	3.6
69.03461	4.5
69.58086	12.1
71.01387	6.2
71.05000	6.0
71.15670	1.9
73.02954	2.3
75.00864	2.9
81.03457	3.1
83.05021	10.1
85.02913	3.0
87.04513	3.8
89.02485	2.0
93.03422	2.6
95.05052	5.4
96.96025	2.8
97.02946	3.1
97.06591	8.4
101.02426	2.3
109.02927	2.8
109.06615	11.6
111.04519	5.5
111.08167	2.0
113.06086	2.6
113.46587	1.7
115.07640	2.3
119.05086	2.2
121.02950	4.7
123.04463	2.2
123.08140	4.4
125.06069	2.8
125.09717	4.2
127.07658	5.2
135.04451	2.3
135.08104	7.4
145.02989	2.5
153.09206	7.7
159.04524	4.2
163.03891	2.3
163.11243	3.5
167.10707	2.3
169.12323	2.3
171.10234	25.2
175.03934	2.6
185.11816	7.5
187.03973	2.1
193.07164	3.7
193.12346	4.6
195.13892	3.0
197.11833	19.6
207.10286	3.1
209.11833	22.9
211.13420	20.4
212.13678	2.4
215.03467	2.1
221.11807	2.3
225.11156	3.0
227.12756	3.4
235.13467	3.8
237.14990	14.7
239.12973	2.3
245.18939	3.0
245.98015	1.8
249.14967	7.9
267.16077	2.8
289.18079	22.6
290.18384	1.9
297.35974	1.7
307.19135	28.7
310.08640	4.1
310.12003	4.0
325.07187	8.4
325.11050	5.5
325.20187	100.0
326.20502	8.3
344.03488	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	325.2016
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03429	5.0
59.01369	5.6
61.18427	1.5
69.03448	3.0
69.26237	1.4
69.60531	1.4
71.01286	2.7
71.05017	7.8
72.94276	1.5
73.02933	1.6
80.02682	3.8
83.05014	4.4
85.06582	2.1
87.04510	4.2
95.05015	3.3
97.02927	5.6
97.06580	7.0
107.05054	2.3
109.06584	29.9
124.48564	1.8
125.06093	4.6
127.07665	2.7
153.12709	2.2
169.12314	7.5
177.12727	2.1
181.12364	5.0
183.13902	1.9
193.12300	3.7
197.11810	45.5
198.12169	3.3
199.13394	5.1
201.11356	2.5
211.13380	42.8
212.13744	3.3
227.12901	3.0
235.13321	5.8
237.14984	17.5
249.14877	3.1
289.18085	10.3
307.19116	5.1
325.20154	100.0
326.20419	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	325.217
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
50.21514	0.5
55.11352	0.4
55.19850	0.4
60.91644	0.4
63.60999	0.4
69.71665	0.8
69.72077	1.5
79.95746	0.7
98.19791	0.5
119.04971	0.5
127.97447	0.4
136.00987	0.4
136.31248	0.5
139.60419	0.4
149.09706	89.4
150.10054	4.4
163.11276	97.3
164.11613	6.7
168.66531	0.4
170.00441	0.7
183.01198	23.0
184.01945	2.3
185.54413	0.4
186.06104	0.4
197.02748	0.7
216.00993	0.8
230.55913	0.5
267.60162	0.5
274.85696	0.4
325.18347	43.0
325.21762	100.0
326.18646	5.3
326.22098	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	326.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67530	0.4
59.01374	7.9
61.98829	13.9
71.01390	0.8
71.51236	0.6
87.00829	0.7
89.02427	0.5
94.63063	0.4
101.02426	0.8
107.03654	1.7
108.02161	0.9
134.04721	100.0
135.05209	2.6
146.02457	1.8
149.02429	2.5
150.03217	1.9
164.04733	0.9
165.04251	0.7
165.05498	3.4
193.05000	0.5
194.05327	0.6
266.08969	2.5
300.70206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0874
Annotation	Melimessanol B
Peak:m/z	Relative Intensity
69.46803	2.5
69.47211	1.0
71.01354	0.5
77.89058	0.5
81.03461	1.1
83.01394	2.9
91.01898	0.5
91.05541	1.3
93.03452	5.2
95.05048	0.9
105.07098	1.8
108.02177	2.3
109.02944	57.1
110.03259	1.6
115.05525	3.2
116.43665	0.5
117.03442	0.5
117.07080	1.6
119.05011	1.9
121.02950	24.1
122.03847	3.2
123.04515	15.0
124.01704	0.6
129.07054	0.6
131.05011	2.3
133.02895	0.8
133.06578	4.1
135.04524	5.1
137.02441	7.0
139.04024	1.0
143.05020	15.1
144.05324	0.8
145.02948	1.0
145.06577	1.1
146.03725	27.9
147.04576	4.2
149.02451	1.0
149.06082	0.9
154.02652	0.6
157.29433	0.5
158.03688	2.1
159.04503	32.7
160.05305	10.8
161.06068	95.5
162.03313	0.6
162.06413	4.4
171.10266	1.1
172.05281	4.6
173.06050	20.4
174.03215	1.7
174.06476	1.7
175.03931	2.4
176.04671	1.1
177.05553	1.1
187.04054	0.9
203.03487	8.0
204.04253	13.7
205.05037	100.0
206.05418	5.9
210.91612	0.5
211.07516	1.2
211.13380	0.9
213.09039	1.0
217.05049	4.9
227.10773	0.6
239.07056	0.8
243.06569	1.3
247.07681	0.8
263.07117	1.6
265.08734	2.9
267.06598	1.1
268.07413	1.5
280.19366	0.6
281.08160	4.1
282.08609	0.7
283.09735	50.8
284.10028	5.1
291.19611	0.7
310.95081	0.6
312.09839	0.7
327.08734	28.8
327.12314	2.4
327.21756	7.0
328.09103	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	327.087
Annotation	Melimessanol B
Peak:m/z	Relative Intensity
51.41959	1.1
52.73972	1.0
58.48764	1.0
59.35090	1.0
62.05330	0.9
63.19566	1.3
71.08106	2.9
76.18745	1.0
83.01383	2.0
83.01881	1.1
93.03486	5.5
105.07126	1.4
108.02161	3.1
109.02943	57.7
110.03283	2.0
115.05524	3.5
117.07064	1.1
119.05051	1.7
121.02944	21.6
121.03772	1.9
122.03747	2.5
123.04507	14.3
131.05026	2.7
133.06581	4.2
135.04495	5.4
137.02454	6.7
141.67084	1.0
143.04994	13.6
145.06502	1.1
146.03728	26.0
147.04422	3.2
158.03725	1.5
159.04500	30.0
160.05293	9.8
161.06070	91.7
161.66191	1.1
162.06403	6.3
172.05252	2.8
173.06058	20.7
174.03323	1.1
175.03970	2.6
175.11966	1.0
176.04636	2.7
177.05585	1.4
203.03455	7.7
204.04294	13.4
205.05046	100.0
206.05399	5.4
211.07693	1.4
217.05153	6.5
243.06424	1.2
265.08633	3.2
281.08145	3.8
283.09726	51.2
284.10095	6.9
327.08688	34.1
327.12100	2.2
327.21732	3.8
328.09018	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	327.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77906	2.9
59.01375	38.9
66.87012	3.0
70.58685	6.5
71.01378	100.0
72.99299	27.3
74.32021	2.5
75.00878	8.5
80.26364	2.7
85.02950	4.0
87.00872	38.4
89.02448	16.0
96.91408	2.7
98.20531	3.3
101.02435	8.9
108.02190	6.1
113.02435	4.9
115.00386	24.8
116.20397	2.9
117.01955	4.5
119.03481	5.2
129.01935	11.0
135.02962	15.4
135.04535	4.7
141.38588	2.7
147.02992	82.7
147.06670	3.2
151.04041	3.1
161.04613	3.8
165.04077	6.0
165.05444	4.8
165.07628	5.1
179.05630	6.2
235.36523	2.6
267.10794	9.9
276.13129	3.2
327.09512	10.0
327.13101	3.9
348.08447	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	327.1082
Annotation	Paeonoside
Peak:m/z	Relative Intensity
53.69315	0.6
58.00598	1.4
59.01376	39.2
71.01377	20.4
71.18790	1.2
72.99292	3.0
82.47709	0.8
83.46040	0.8
85.02975	3.6
87.00876	1.3
89.02435	15.9
95.01402	1.9
101.02435	11.6
103.05551	4.1
113.02438	6.4
114.34664	0.9
119.03484	7.0
119.05005	4.7
131.03523	0.9
147.04510	100.0
148.04889	4.3
165.05565	14.4
166.05916	1.1
218.97507	0.7
327.10812	70.8
328.11136	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	327.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.4
59.01365	2.3
67.49699	0.6
71.01372	1.5
71.52190	1.1
80.07713	0.8
83.01385	84.2
84.01725	1.8
93.03459	1.1
94.12771	0.7
95.01350	0.7
96.76752	0.7
97.50364	0.6
108.02175	1.6
109.02966	6.6
110.58471	0.7
117.03482	1.7
119.05021	0.9
121.02962	4.8
121.21845	0.9
122.02914	1.5
122.03738	17.5
123.04539	12.0
124.01671	1.0
132.05760	1.0
133.02933	2.5
135.04504	1.1
136.01640	2.4
137.02441	13.2
137.06090	13.0
144.40491	0.7
147.04529	8.4
150.23212	0.8
151.04001	1.0
153.92091	0.7
154.02702	1.2
161.02451	1.5
161.06053	5.4
162.06821	2.1
163.03963	1.6
175.03949	2.4
176.04468	0.9
179.03493	2.8
179.07121	7.3
187.03969	0.8
199.13373	1.6
205.05113	0.9
206.05846	0.7
213.84111	0.8
218.61777	0.8
221.08151	7.9
236.69812	0.8
251.71898	0.8
268.10980	0.9
283.13422	5.7
297.07776	1.7
312.10025	4.5
327.08948	5.7
327.12350	100.0
327.21191	4.6
328.12714	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
52.42691	0.6
57.03436	1.0
58.00591	1.2
59.01386	3.0
61.98804	0.6
68.73248	0.6
71.01367	3.1
75.23439	0.8
83.01364	1.0
83.05025	1.1
97.06584	1.4
107.15277	0.6
109.02923	1.1
110.03726	1.0
111.08160	7.7
121.02939	3.7
123.08172	0.8
147.04477	0.8
153.12779	0.7
161.06047	0.8
169.12331	3.0
171.10254	2.5
177.12866	1.5
181.12326	1.6
183.13872	1.0
185.11813	8.8
197.11813	33.8
198.12190	2.1
199.13342	3.0
209.11800	4.3
211.13353	2.4
221.11797	3.8
227.12836	0.9
229.14439	0.9
231.39189	0.7
239.12811	3.2
248.29210	0.8
263.20233	1.0
273.18710	0.7
291.19690	4.3
309.20596	2.5
312.13785	1.0
327.12430	2.0
327.21729	100.0
328.22028	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
58.00587	1.0
59.01379	2.1
61.98830	1.1
65.26266	0.8
69.50859	0.7
71.01354	0.9
76.45467	0.9
86.64866	0.7
93.23129	0.7
97.06580	2.2
98.13474	0.7
112.51614	0.7
115.07634	0.9
121.02962	1.2
122.44630	0.9
153.12909	1.6
155.14365	3.6
171.10278	1.6
183.13882	6.9
199.13458	5.5
211.13377	5.2
227.12883	2.6
229.14438	100.0
230.14775	7.4
239.77846	0.8
287.36343	0.9
291.19598	1.8
309.20657	8.5
327.15979	0.9
327.21780	8.8
327.25464	1.2
328.22025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17323	1.0
58.00585	2.1
59.01104	0.9
59.01371	5.4
61.66586	0.9
64.31750	1.1
69.34605	8.2
71.01381	1.7
87.03858	1.0
97.06587	3.1
98.19811	1.5
99.00084	1.0
109.06671	1.0
111.08160	8.9
120.29469	1.0
127.07606	1.3
129.13168	0.9
137.09697	2.6
169.12354	4.8
171.10272	10.8
179.10884	1.0
193.12369	1.7
197.11826	40.7
198.12202	2.4
199.13396	5.8
201.11276	3.3
211.13409	5.5
227.12996	1.2
253.71286	1.0
255.11826	4.2
279.06348	1.1
280.75375	0.9
282.13260	1.0
291.19638	2.6
309.20483	2.9
327.09949	3.0
327.21725	100.0
328.22061	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12361	0.6
57.25051	0.6
58.00572	1.1
59.01382	4.3
61.98819	0.8
69.03481	0.6
69.27914	2.8
69.28344	1.9
83.04993	0.7
85.02939	0.7
97.06609	1.6
98.20686	1.3
109.06584	1.0
111.08160	10.4
112.08441	0.6
121.02958	0.9
127.07679	0.7
127.94315	0.5
129.09280	0.6
153.12862	1.1
169.12369	5.2
171.10196	0.9
181.12326	1.5
185.11850	1.3
197.11810	46.5
198.12151	2.7
199.13364	6.7
209.11819	2.0
211.13417	6.1
212.13774	0.8
221.11771	0.9
227.12856	0.8
229.14484	0.9
256.03784	0.8
263.20175	0.9
291.19635	2.5
294.01395	0.6
309.20535	3.4
312.02789	2.1
327.05029	3.8
327.21741	100.0
328.22095	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	327.2173
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.67464	1.0
57.03440	2.5
58.59405	0.9
59.01358	1.4
63.69890	0.9
69.03437	3.3
69.03771	0.9
69.41196	6.8
72.41737	1.0
85.02932	8.9
95.05011	0.9
96.78696	1.0
97.02945	1.6
97.06582	4.3
101.02466	0.9
109.02992	1.1
112.91107	0.8
125.09672	1.5
127.11282	2.5
137.09715	2.4
161.06102	1.0
165.12759	1.0
171.10260	26.1
172.10609	1.1
177.12830	1.8
183.13875	4.5
185.11829	0.8
193.12248	0.9
203.10724	1.1
205.05133	1.4
209.11829	1.4
211.13367	19.0
212.13692	1.6
221.11755	2.2
229.14435	11.7
230.14738	1.1
239.12746	1.9
247.20679	0.8
291.19644	3.1
292.00079	0.9
309.20636	1.5
327.21735	100.0
328.22061	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48244	0.7
57.03451	1.1
58.00581	1.2
59.01379	4.0
61.98812	1.1
65.48909	0.7
67.35816	0.6
69.03481	0.8
71.01381	1.0
71.18443	0.6
71.91774	0.8
84.74107	0.7
87.04474	0.8
97.06544	1.6
107.05250	0.6
108.74228	0.7
109.06571	1.5
111.00906	0.7
111.08138	7.2
123.82932	0.7
127.07581	0.9
134.06136	0.9
136.07645	1.1
161.53896	0.7
169.12317	4.2
171.10294	1.5
177.12796	0.9
179.10794	1.0
181.12326	1.8
185.11823	3.0
193.12263	1.0
195.13722	0.9
197.11810	36.0
198.12193	2.2
199.13377	6.8
209.11769	1.7
211.13385	4.1
218.54144	0.7
221.11780	2.5
229.14432	1.0
239.12907	1.2
239.16556	3.4
255.67192	0.7
282.12509	1.1
291.19620	3.4
297.14948	2.3
309.20630	2.2
311.14053	0.8
312.02869	1.0
312.10110	1.1
327.05026	2.9
327.21729	100.0
328.22034	11.3
343.19147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2539
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
55.92033	2.1
59.01373	6.8
61.98803	3.8
70.51991	5.3
71.73495	1.6
72.21629	1.9
83.05037	4.3
89.08596	1.8
91.03989	6.1
185.00780	7.8
212.47066	1.7
235.20645	28.2
236.21133	2.2
236.49222	1.8
249.17145	1.9
253.21709	100.0
254.21997	8.8
299.25888	1.9
327.18381	23.8
328.18185	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	327.2902
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
52.80294	1.9
59.01378	100.0
61.98820	2.4
70.74275	2.2
70.74624	5.1
83.68747	2.0
98.20583	1.9
172.66956	2.0
184.86880	2.0
185.00729	4.7
191.55273	2.2
327.18250	7.2
327.29013	96.0
328.29251	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	329.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05491	2.0
59.01357	8.2
69.22212	8.1
69.22637	9.6
71.01358	5.5
73.02937	2.5
75.00858	5.4
89.02452	21.2
101.02420	2.8
119.03466	4.2
130.99860	2.1
131.03447	4.7
149.04539	100.0
150.04884	2.4
234.24260	1.8
242.55975	1.8
267.26578	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	329.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.6
59.01376	100.0
60.01704	1.2
67.07869	0.7
71.00719	1.5
71.01369	6.2
71.01678	0.6
73.02960	1.7
73.12562	0.6
83.01429	0.8
84.54539	0.6
85.02955	2.8
87.00845	0.6
88.02965	0.6
89.02442	1.1
99.00858	0.8
101.02450	4.5
113.02472	2.5
124.57645	0.6
125.02441	1.3
141.09267	0.7
145.04182	0.6
151.00352	0.7
157.68466	0.6
161.04559	3.9
167.03477	15.4
167.07072	0.8
168.03810	0.7
237.24199	0.6
269.10211	4.5
305.13354	0.6
310.84293	0.7
329.08969	1.8
329.12430	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1392
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
59.01376	1.1
63.69035	0.2
69.30340	1.2
69.30755	1.0
71.01380	0.4
71.72925	0.2
79.05529	0.2
91.05517	0.3
93.03454	1.0
103.05519	0.4
105.03466	0.6
108.02168	0.8
109.02982	0.4
111.00883	0.6
115.05536	0.9
119.05018	0.7
121.02947	11.9
122.03759	4.3
123.00867	1.8
123.04517	1.1
124.01661	1.9
125.34576	0.2
130.04250	0.8
130.77649	0.2
131.05008	1.9
135.04512	0.6
136.01659	1.0
136.05334	2.7
137.02467	1.7
137.06084	1.1
138.03229	0.6
139.03952	0.3
143.04997	2.1
144.05284	0.3
145.02960	1.4
145.06566	0.9
146.03728	1.0
147.00882	0.4
147.04520	9.3
148.05200	0.4
149.02437	3.7
149.06120	0.7
150.03218	13.9
151.03860	1.0
153.05571	1.2
158.03732	11.7
159.04514	35.5
160.05293	87.2
161.06073	33.0
162.03250	0.5
162.06378	1.9
163.04008	13.5
164.04788	11.1
165.05205	0.8
168.04240	0.8
173.06071	10.8
174.06612	0.8
175.07631	58.8
176.04759	1.9
176.07965	3.3
177.05554	16.8
178.06340	17.8
179.06720	1.2
191.07140	0.5
192.07919	2.3
193.05145	0.3
193.08667	7.0
201.82225	0.3
284.10394	0.4
299.12817	0.5
314.11554	1.8
318.08096	0.3
329.13904	100.0
330.14230	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	329.2121
Annotation	6alpha-Hydroxysuginyl methyl ether
Peak:m/z	Relative Intensity
59.01374	3.8
61.98820	0.7
71.06474	1.5
76.69529	0.7
78.55922	0.8
106.27743	0.7
125.02412	0.6
157.91029	0.7
171.04430	0.9
182.23889	0.7
255.02971	1.0
271.02457	1.1
299.01920	2.5
314.04315	5.5
329.06601	4.5
329.21194	100.0
330.21530	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	329.2331
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
55.60165	0.4
57.03446	1.0
59.01355	0.8
60.55199	0.4
71.05009	0.4
83.05019	0.6
97.06578	0.7
99.08154	5.3
124.99683	0.4
125.09744	2.0
127.11308	2.7
139.11285	2.7
155.10773	0.6
155.14436	1.2
157.12378	0.5
165.12796	0.5
167.14394	1.5
171.10269	6.5
172.49918	0.4
183.13855	6.5
184.14165	0.6
193.12306	2.2
199.13393	0.7
209.11752	1.5
211.13370	32.4
212.13652	2.2
221.26727	0.4
229.14407	19.3
230.14757	1.4
265.09595	0.4
293.21118	1.0
293.51382	0.5
311.22162	1.1
313.96371	0.4
314.04230	1.1
314.30640	0.4
329.23285	100.0
330.23660	10.1
330.27612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0668
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.63929	0.5
54.52033	0.6
56.01688	0.5
59.01381	0.7
65.76512	0.6
67.11985	0.5
68.10685	0.6
69.03450	1.8
70.75816	1.7
73.80633	0.5
79.01881	1.3
81.03448	1.3
83.01357	1.1
97.02930	1.6
107.01388	1.6
114.32736	0.6
123.00896	4.2
124.01662	14.3
125.02439	54.6
126.02754	1.8
133.51953	0.6
149.04488	0.6
149.99577	25.5
151.00162	1.7
153.01909	0.9
167.03424	0.9
168.00632	57.1
169.01331	5.1
285.31320	0.6
313.05621	6.2
317.46472	0.7
331.06668	100.0
332.07001	9.4
340.16016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95848	0.4
59.01365	1.0
66.03484	0.6
67.73665	0.5
69.19785	0.5
69.20754	2.3
69.21175	2.0
71.01327	0.7
79.01882	0.5
82.02957	0.5
85.02943	0.5
94.02956	2.7
95.90140	0.5
97.30141	0.5
121.05347	0.5
124.04032	4.2
130.08748	0.9
136.07663	10.0
138.09161	0.6
147.03229	0.8
162.05608	2.8
199.05087	5.3
200.05893	7.8
201.06334	0.6
201.10292	4.2
202.08762	1.6
211.64452	0.5
213.06552	0.7
213.10257	0.9
214.07414	5.2
226.07455	1.8
227.08272	0.9
228.05417	0.8
229.09792	17.8
230.10143	1.7
239.04553	1.3
239.08228	2.8
240.05254	0.8
240.08942	1.4
241.09784	4.3
251.08289	0.8
253.06242	0.8
254.06754	2.8
255.07605	0.9
256.08417	1.0
257.09290	40.2
258.06607	0.9
258.09570	2.8
269.09259	10.6
270.09650	1.4
286.09683	1.0
287.10345	100.0
288.10669	8.9
331.09219	8.6
331.12726	0.8
331.20160	1.1
332.09659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28756	0.5
59.01375	6.4
63.21934	0.6
66.03494	0.5
69.22096	2.1
69.22527	2.1
71.01369	4.9
72.99298	2.4
73.02940	1.2
75.87624	0.5
84.04532	3.2
85.02937	2.2
89.02432	3.6
91.01881	2.6
92.05064	0.8
93.03442	0.5
99.00830	0.5
101.02432	3.8
113.02430	2.1
118.02989	10.2
119.03469	1.9
122.06140	0.8
124.07666	4.7
136.07646	3.1
150.05547	1.3
158.06068	1.7
161.04543	0.9
172.11328	1.0
173.09782	0.6
174.09184	0.9
175.82957	0.5
177.06654	0.9
185.07120	0.6
186.04333	0.6
188.10789	1.9
191.05251	0.5
199.07416	1.0
200.10829	11.9
201.10423	0.5
207.08125	3.6
213.06631	1.5
214.07365	0.8
215.08272	2.6
215.11848	3.8
216.10275	1.5
223.07605	0.7
225.09085	7.4
226.08839	2.1
227.09766	0.6
228.09041	2.4
241.08563	1.5
243.11351	100.0
244.07452	0.5
244.11679	8.3
261.12436	1.2
269.08118	3.4
287.10376	57.2
288.10635	5.8
331.08786	11.5
331.17654	0.9
332.09091	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	331.1032
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
59.01372	3.8
61.45482	0.4
69.03451	0.5
71.01378	3.7
71.05017	0.6
71.51122	0.7
72.99307	0.6
75.57600	0.4
76.04960	0.4
78.38392	0.5
81.03484	0.7
83.01388	1.2
84.00894	3.1
85.02937	2.6
86.04349	0.4
87.00877	0.8
89.02452	2.6
89.85594	0.5
92.84161	0.4
99.00889	0.5
101.02438	2.4
105.66779	0.5
107.12680	0.4
109.02861	0.5
110.00089	5.8
113.02448	4.2
119.03471	1.1
123.04428	0.6
124.01656	1.5
125.02441	10.5
126.05601	0.6
127.04027	0.9
131.03494	0.6
137.02393	0.9
137.99573	8.0
138.03246	0.6
139.00339	2.6
139.03976	0.6
140.01143	1.0
149.99606	1.2
150.03206	0.4
151.00371	1.7
151.03949	0.6
152.01109	2.8
153.01918	100.0
154.02444	4.6
155.03482	2.8
161.04544	1.4
166.02757	1.0
167.03477	13.0
168.00616	2.7
168.04260	55.8
169.01430	4.7
169.05011	10.7
169.06369	1.0
174.57187	0.5
179.03468	0.7
181.05042	0.5
191.03406	0.6
194.02318	0.4
196.03677	0.7
209.04491	1.3
211.07327	0.7
227.55882	0.5
299.07706	0.7
331.06625	3.7
331.10443	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	331.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	18.8
57.03431	4.8
58.91406	1.2
59.01366	6.1
69.03455	15.6
69.32745	8.7
71.01378	10.2
71.05006	3.8
72.99283	2.3
73.02954	1.5
74.38286	1.3
75.00851	5.9
85.02944	4.9
88.35019	1.5
89.02435	6.1
93.03443	5.7
99.00854	5.5
101.02426	5.8
109.40444	1.4
111.08148	4.6
113.02388	1.9
113.06074	2.1
117.01913	2.0
119.03488	1.6
121.02905	3.5
129.01941	27.9
130.02225	1.4
135.04460	1.6
137.06053	3.4
139.11279	19.1
147.01837	2.6
147.02982	37.6
149.01312	2.3
149.02434	37.2
161.04559	1.6
164.04767	10.3
165.03809	1.7
169.05046	2.8
183.10246	100.0
184.10579	6.5
215.24969	1.4
225.05476	1.6
269.08084	3.6
285.07660	1.9
313.07031	4.9
316.09424	8.0
320.73468	1.4
325.77615	1.4
331.08105	9.9
331.14401	40.7
332.14655	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.54537	0.5
59.01376	100.0
60.01710	1.0
67.27750	0.5
69.28405	3.8
71.01372	6.0
73.02954	2.2
74.71548	0.4
80.65495	0.5
83.01389	0.6
85.02949	3.5
89.02494	0.7
92.33752	0.5
94.49379	0.5
95.01365	0.6
97.02090	0.6
99.00891	1.1
101.02439	5.8
113.02444	2.4
124.42855	0.5
159.03006	0.9
161.04535	3.3
228.67276	0.5
236.21925	0.4
289.16660	1.9
314.11157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1913
Annotation	PGB3
Peak:m/z	Relative Intensity
50.62576	0.8
57.03451	1.5
59.01363	1.6
64.40332	0.9
66.35973	0.7
69.03446	4.3
70.02335	0.8
70.94228	0.9
70.94576	1.8
71.05016	1.8
71.41474	0.8
75.67847	0.9
77.02304	0.8
87.47452	0.9
93.22284	0.9
95.05043	1.5
98.20576	1.0
99.04529	10.5
101.35361	0.8
108.06181	1.0
111.08163	1.8
125.02423	0.9
131.08667	1.0
135.08150	4.5
149.09718	2.7
150.35849	0.9
174.09767	0.8
189.12860	2.9
216.15181	3.1
217.15970	3.4
242.53389	0.9
287.20215	2.1
331.19110	100.0
332.19553	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	333.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47881	2.1
55.01885	3.4
56.07687	1.9
58.18713	2.1
59.01383	11.2
71.01373	23.6
73.02937	9.3
83.01384	7.9
85.02933	16.4
89.02458	3.6
92.05037	5.6
96.96050	4.3
98.88297	2.1
99.00898	5.0
101.02444	26.2
104.05073	7.3
112.43797	2.1
113.02457	12.0
117.22926	2.4
120.04587	2.2
122.06113	19.5
123.03222	3.0
132.04430	2.2
136.04030	4.9
138.05573	14.7
139.27301	2.1
140.07173	13.4
148.04036	5.3
152.03563	2.3
159.02965	2.7
161.04538	10.4
166.05110	10.3
168.06651	4.3
169.08940	3.6
172.07652	2.4
172.11298	8.2
184.11336	16.0
187.06366	5.1
200.07114	3.2
201.07956	3.2
202.12370	10.4
211.04976	2.5
212.05928	4.8
213.10286	2.7
215.09465	4.6
216.10330	14.7
217.07437	36.4
225.06422	2.3
226.07378	5.5
227.04608	2.0
227.08116	2.5
229.32370	2.2
231.08984	18.6
237.06447	2.3
237.57912	2.2
238.07365	2.9
241.09848	22.6
242.06944	3.1
242.10150	3.1
246.11319	73.4
247.11681	9.6
253.09848	11.0
254.06927	2.1
255.07748	7.1
256.08344	2.5
259.10864	16.1
264.25134	2.0
271.10867	100.0
272.08731	3.1
272.11179	8.8
289.11893	16.2
315.09860	9.5
333.10889	70.3
333.19153	16.3
334.11276	10.1
335.80322	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	333.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66520	1.7
58.00599	2.9
59.01377	100.0
60.01709	1.5
71.01379	57.2
71.50910	1.3
72.99296	3.7
78.95885	1.7
83.01370	1.8
85.02944	11.1
87.00870	3.9
89.02441	69.5
95.01386	4.7
99.88835	1.4
100.00605	1.4
101.02438	27.1
108.02179	2.1
109.06585	12.4
113.02451	20.0
115.09493	1.4
119.03492	30.6
131.03494	2.1
135.04521	1.9
143.03499	4.0
149.04541	3.3
153.05563	77.3
154.05956	2.1
161.04543	5.3
179.05615	14.9
215.34831	1.3
217.19223	1.6
333.11899	26.3
334.12128	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	333.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.4
58.00576	2.6
59.01375	100.0
69.57681	10.1
69.58056	3.6
71.01379	55.2
71.64248	1.7
72.99313	3.4
73.02936	2.0
74.26413	1.9
85.02936	10.6
87.00877	2.1
89.02438	68.9
91.05515	1.9
93.41576	1.8
95.01371	3.8
101.02434	39.7
107.05004	6.2
108.02169	69.2
111.04500	3.7
113.02441	25.6
119.03483	33.2
123.04481	2.3
125.02486	2.1
131.03462	2.6
134.03760	2.3
135.04517	48.7
143.03554	3.2
153.05560	13.4
161.04564	4.0
166.97459	1.9
168.75269	2.0
179.05591	8.3
315.10956	8.8
316.11130	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	333.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
58.00592	2.2
59.01376	100.0
63.40390	1.3
71.01376	55.1
72.01716	1.9
72.99302	2.6
83.01393	2.0
85.02934	11.6
87.00874	4.1
89.02438	69.7
95.01368	2.9
101.02440	27.5
107.05006	1.6
109.06584	10.6
113.02440	21.9
119.03489	27.8
131.03470	2.3
143.03496	5.1
149.04556	2.7
153.05566	85.1
154.05939	3.0
161.04510	4.1
179.05600	19.4
333.11914	26.6
334.12210	2.5
346.73953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84715	0.6
55.01875	9.8
59.01370	2.4
69.03436	0.8
69.25738	5.8
71.01381	6.4
75.00851	2.6
77.14292	0.6
83.01384	1.0
85.02940	3.2
89.02428	1.9
95.69679	0.7
99.00887	7.5
101.02455	5.5
113.02352	1.1
119.03495	0.8
129.01935	14.9
139.11252	2.5
147.02985	30.1
148.03290	0.9
185.11809	100.0
186.12195	5.6
227.32147	0.7
284.13837	0.8
333.09579	1.1
333.15527	27.2
334.15875	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	333.2068
Annotation	Sinulariolide
Peak:m/z	Relative Intensity
55.31387	0.9
57.03446	29.1
59.01367	1.2
69.03459	7.1
70.72830	0.9
71.05016	5.5
73.02938	26.8
79.05519	9.1
81.03436	4.2
83.05020	2.7
85.06591	1.0
93.07096	1.1
95.05042	1.6
97.06572	10.8
98.19827	1.8
99.04507	28.5
107.05006	2.3
107.08656	1.7
109.06575	3.6
111.04478	0.9
111.08174	1.2
120.05802	2.1
121.06606	1.8
123.08162	1.1
125.09692	2.7
133.10220	1.2
135.08162	19.2
136.08455	1.4
137.09698	3.1
151.11263	21.0
163.11275	1.3
175.57297	1.0
177.12788	2.6
179.10751	1.5
191.14427	4.6
195.13840	3.6
201.16446	1.4
219.13913	1.2
219.17503	10.2
230.91580	1.2
233.15251	1.2
259.16974	14.1
271.20618	1.7
289.18439	2.3
289.21692	34.9
290.21912	4.8
315.19531	1.6
333.20654	100.0
334.21082	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	335.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50260	1.1
55.01876	2.9
56.17459	1.1
58.00573	3.3
59.01375	100.0
60.01719	1.6
69.45826	6.6
69.46246	3.2
71.01379	59.4
72.99295	2.7
73.02930	4.5
75.00857	1.5
77.24288	1.2
83.01371	3.2
84.74586	1.2
85.02946	12.6
85.99148	1.2
87.00880	3.2
89.02441	66.1
93.03498	2.0
95.01372	4.9
99.00873	2.9
101.01807	2.2
101.02439	34.7
108.02158	1.4
111.04494	1.5
113.02438	23.1
114.02705	1.5
119.03505	30.4
120.18962	1.1
123.32896	1.3
125.06061	2.8
130.08710	2.7
131.03481	2.2
137.02415	1.5
143.03458	5.0
149.04407	1.5
154.99799	1.8
155.07140	15.2
161.04538	13.4
173.08127	2.9
179.05568	17.8
227.25366	1.2
317.12369	41.3
318.12692	3.0
335.13440	16.9
336.13376	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95889	1.2
55.01874	1.7
55.26588	1.1
56.11040	1.1
58.00593	3.1
59.01376	100.0
62.74001	1.3
65.21414	1.3
70.91535	3.1
71.01378	55.1
72.99323	3.9
73.02934	1.9
77.44395	1.2
82.68429	1.3
83.01378	2.5
85.02942	7.4
85.69451	1.2
87.00880	2.6
89.02441	69.1
95.01398	3.3
97.12172	1.7
101.02435	30.2
113.02445	21.2
119.03486	27.4
131.03467	2.8
143.03513	5.5
149.04527	3.1
153.05511	1.7
155.07138	26.3
156.07428	1.4
161.04546	7.7
173.92381	1.3
179.05556	17.7
180.05896	1.9
335.13446	26.4
336.13885	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	335.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68608	0.7
55.01874	11.7
57.03444	6.8
58.00585	2.5
59.01375	49.6
69.03453	1.1
69.31271	1.4
69.31675	4.9
71.01376	91.9
72.01728	1.2
72.99301	3.4
73.02941	39.8
75.00850	2.7
81.03461	0.7
83.01382	24.2
85.02944	54.3
86.00083	2.6
86.03268	0.7
87.00866	3.5
88.33040	0.7
89.02435	5.7
92.51015	0.7
95.01378	6.6
96.96007	12.2
97.02948	2.8
99.00260	1.5
99.00870	16.2
101.02436	100.0
102.02777	2.4
105.26402	0.7
111.00872	6.7
113.02441	41.8
114.02733	1.7
123.94435	0.7
125.02439	2.6
129.01926	3.3
135.28789	0.7
141.01909	1.6
143.03462	4.0
159.02966	13.8
160.03145	0.7
161.04539	47.2
162.04855	1.9
171.13930	2.1
173.15498	2.8
205.03484	1.1
239.67639	0.8
243.16096	1.5
335.11984	6.4
335.20712	77.7
336.21069	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	335.2225
Annotation	PGB1
Peak:m/z	Relative Intensity
53.03473	1.0
57.03435	4.3
58.15426	1.0
59.01367	2.5
60.53556	1.1
69.03445	9.5
70.75796	1.1
71.05010	3.6
85.06567	1.1
90.69587	1.0
98.61028	1.1
113.02434	3.5
121.10215	1.8
127.95163	1.1
154.81223	1.0
170.55440	1.3
203.18173	1.4
317.21188	7.2
334.96988	1.3
335.22229	100.0
336.22577	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	335.2225
Annotation	Dihydroflexibilide
Peak:m/z	Relative Intensity
57.03442	21.9
59.01370	2.9
61.98824	1.8
67.08163	1.3
69.03445	7.0
69.39390	9.6
71.04982	3.5
73.02563	2.4
73.02946	43.5
83.05012	1.4
85.06592	2.3
98.20695	2.4
107.56267	1.4
108.43124	1.6
121.06577	1.8
123.08131	2.3
130.45132	1.3
134.49287	1.5
135.08113	1.7
137.09702	15.3
153.12836	16.1
193.16005	8.4
221.19014	2.0
261.18576	2.0
273.22318	2.1
291.23218	6.3
304.59372	1.4
317.21072	2.1
335.22238	100.0
336.22644	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	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
57.03436	0.5
59.01377	2.5
59.01629	0.6
67.54774	0.5
68.99813	3.0
69.03461	0.9
70.24884	0.5
70.99219	1.2
71.01389	3.1
72.99275	0.6
73.02935	1.9
75.00875	1.6
83.01376	1.4
83.05074	0.5
84.73371	0.5
85.02956	5.2
87.00865	1.9
88.33995	0.5
92.75178	0.5
95.01389	0.8
97.17976	0.5
99.00871	5.1
101.02441	1.7
111.00872	2.5
112.98765	0.5
113.02436	5.8
113.99576	16.5
115.00377	7.2
117.28470	0.5
121.40355	0.5
127.00364	2.7
129.01926	2.1
139.00395	1.3
142.96750	0.6
157.01392	5.2
169.01428	1.1
174.01680	15.6
175.02374	1.7
185.95189	0.6
188.97169	0.8
204.96581	0.5
276.99091	0.9
277.02576	1.0
277.05576	17.3
278.06009	1.1
337.07727	100.0
338.08054	7.1
357.66089	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23734	0.2
53.49184	0.3
53.65800	0.2
59.01371	1.0
62.83302	0.2
67.01881	0.5
70.84277	0.7
71.01393	0.6
81.03433	0.4
85.02940	6.3
87.00869	2.2
91.68943	0.3
93.03450	4.3
101.00322	0.3
107.66807	0.3
109.02942	0.5
111.00891	0.3
111.04517	1.0
119.05023	1.3
127.04031	1.9
133.97647	0.3
145.02946	0.7
163.04012	1.5
166.98090	0.3
171.02980	0.4
173.04547	1.6
188.97797	0.3
191.05595	100.0
192.05940	4.3
192.79340	0.3
251.07321	0.2
337.09286	2.6
338.09424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0926
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
51.08239	0.3
52.80565	0.3
53.48035	0.3
53.83623	0.3
57.05984	0.3
59.01366	2.4
60.99300	1.3
67.01885	3.4
69.03436	1.1
69.41017	0.6
69.41423	2.0
71.01374	1.1
76.27801	0.3
81.03444	0.6
83.04997	0.4
85.02936	3.0
87.00874	5.6
93.03451	18.5
94.03799	0.5
99.00884	0.5
99.04480	0.4
109.02950	0.5
111.04502	3.6
115.04025	0.3
119.05017	6.8
127.03985	0.7
129.01929	0.7
137.76842	0.3
145.02936	1.6
155.03468	1.1
163.03995	8.1
163.45882	0.3
164.04333	0.7
173.04530	9.7
187.45229	0.3
191.05592	100.0
192.05925	4.8
236.95108	0.3
312.56534	0.3
337.09222	4.7
338.09601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0926
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.65723	0.2
56.28294	0.2
59.01383	0.7
67.01884	0.6
69.38837	1.2
69.39254	0.5
71.01364	0.4
82.29160	0.2
85.02943	4.0
87.00855	1.2
93.03449	3.0
98.19832	0.2
109.02969	0.3
111.04518	0.7
119.05043	0.7
127.04042	1.1
145.02922	0.4
163.04002	1.4
173.04546	1.5
191.05598	100.0
192.05946	3.4
199.17253	0.2
332.83652	0.3
337.09280	3.0
338.09598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22966	0.4
55.01863	0.6
57.03431	0.9
58.00587	1.9
59.01376	48.6
60.01715	0.5
60.49046	0.5
60.67596	0.4
60.99298	1.3
67.01884	4.7
69.03447	1.3
69.25290	4.2
71.01376	23.4
71.04975	0.5
72.99300	1.5
73.02954	1.0
76.40498	0.5
79.39422	0.5
79.72887	0.5
81.03441	1.3
83.01391	2.9
83.05025	0.6
85.02941	9.7
87.00872	9.3
89.02438	19.4
89.64646	0.5
93.03448	22.0
93.72224	0.4
94.03788	1.1
95.01382	1.4
99.00889	4.0
99.04507	0.8
101.01795	1.0
101.02435	13.6
108.02171	0.7
109.02959	3.9
111.00906	1.0
111.04507	3.8
113.02440	8.3
115.00368	5.3
119.03509	9.1
119.05007	8.9
121.06541	0.7
127.03982	1.8
129.01939	1.2
131.03465	1.1
133.02968	2.1
135.04497	1.6
143.03487	1.2
144.09048	0.5
145.02942	2.2
147.04498	1.8
148.05261	0.7
149.06064	22.5
150.06427	0.7
155.03426	0.9
157.01331	0.6
157.08572	0.5
159.02998	0.5
161.02431	6.7
161.04553	1.5
161.05971	0.9
162.02911	0.7
163.03998	9.4
163.05270	0.9
164.04350	0.6
165.05554	1.0
173.04524	15.7
174.04697	0.5
175.02461	3.1
175.03986	3.2
175.09648	0.6
177.01932	4.1
178.74213	0.5
179.03497	1.2
179.05618	1.6
187.03983	0.6
189.05595	1.3
191.05595	100.0
192.05957	4.5
193.05045	2.7
205.05028	1.3
206.02209	1.0
219.02951	5.7
220.03352	0.6
221.29073	0.6
233.04527	4.0
237.04027	11.6
239.94585	0.6
244.11676	0.5
248.53958	0.5
249.07735	0.9
251.36472	0.5
275.05609	0.7
277.03458	2.0
293.06754	2.5
336.11929	0.7
337.05688	1.8
337.09412	4.4
337.15002	48.4
338.15375	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0719
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
54.61084	0.2
59.01381	0.6
67.65819	0.2
69.22416	0.6
69.22829	1.7
81.03445	0.5
89.03970	1.5
104.02673	0.4
105.03449	2.8
107.01328	0.2
133.02950	8.3
134.03223	0.3
148.01675	0.5
149.02412	0.7
158.26778	0.2
176.01102	1.5
177.01917	100.0
178.02249	6.1
249.25218	0.2
339.07150	11.3
340.07355	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1082
Annotation	Methyl 6-O-p-trans-coumaroyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.83734	0.9
57.03450	4.6
58.00608	0.8
59.01377	13.4
71.01385	4.7
71.53038	1.2
72.99308	10.8
73.02953	3.1
83.01390	4.4
84.02178	3.1
85.02947	27.2
85.06600	0.8
86.03300	1.2
90.39762	0.8
95.05034	5.9
97.02975	0.9
99.00881	1.0
101.02449	1.9
103.04052	0.9
110.98395	0.7
113.06065	5.4
117.03464	1.1
119.05022	33.4
120.05414	0.9
120.49660	0.7
131.03491	19.6
135.04533	0.8
139.04005	1.7
145.02939	6.2
157.05035	9.7
163.03998	43.5
164.04350	2.4
175.06097	42.4
176.06500	1.6
177.64984	0.7
187.40622	0.7
193.07155	100.0
194.07524	5.4
197.03722	0.8
213.74255	0.7
220.07687	0.9
278.87610	0.7
287.72012	0.7
298.06607	0.7
321.09674	2.3
339.10767	28.0
340.10989	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	339.2325
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.29211	0.2
55.74716	0.2
68.78326	0.2
69.54742	0.2
71.35809	0.4
76.40188	0.2
83.43530	0.2
99.67302	0.2
147.08102	0.4
163.11273	100.0
164.11594	7.5
339.23239	64.6
340.23569	11.7
356.04715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2536
Annotation	7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid
Peak:m/z	Relative Intensity
57.03447	28.3
59.01373	11.5
61.98815	6.6
69.03450	3.2
71.52955	4.9
84.11749	3.2
94.88701	4.1
102.98700	4.2
107.53660	3.9
113.06102	5.4
116.49050	3.1
144.58936	3.1
159.04517	3.2
175.39426	3.2
183.01143	11.6
209.19099	24.1
237.22186	6.9
277.25336	31.9
278.25772	4.0
279.23123	4.2
293.77332	3.6
299.32507	3.3
339.16211	11.6
339.20734	4.4
339.25381	100.0
340.25641	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	341.0874
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03431	3.0
58.00590	1.6
59.01378	100.0
60.01706	1.3
61.98828	2.3
62.96957	1.3
69.03425	1.5
69.57172	1.1
70.08451	5.3
71.01377	53.6
72.99286	5.9
73.02555	2.6
73.02942	33.8
75.00864	17.0
80.76362	1.1
83.01376	8.9
85.02947	16.5
87.00862	4.5
89.02435	26.7
93.03468	2.1
95.01377	5.0
97.02924	2.1
99.00858	5.0
99.64642	1.3
101.02433	35.9
109.02936	1.5
111.00880	1.5
113.02444	26.0
117.03462	1.5
118.02570	1.5
119.03579	9.3
119.05023	49.1
120.05385	1.5
125.02475	2.7
129.01938	8.8
131.03487	2.7
133.02951	9.4
134.03708	4.9
135.04512	60.0
136.01569	1.4
136.04826	2.6
137.02449	8.0
137.06073	3.3
137.70493	1.4
138.05580	3.4
143.03439	4.0
147.02980	1.8
149.06049	5.2
151.03963	5.1
159.03036	2.1
161.02437	34.7
161.04463	7.8
163.03993	18.6
164.04424	1.4
177.01877	1.8
177.04068	2.7
177.05528	9.9
179.03506	42.5
179.05396	9.7
180.03839	3.0
193.04996	2.0
195.05078	29.4
203.03542	1.5
211.06096	4.5
221.04489	10.9
251.05583	11.3
281.06607	24.4
281.10251	17.4
282.07034	1.9
282.10553	1.6
288.31308	1.2
299.11322	5.0
341.08466	7.5
341.10892	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	341.0875
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
55.20742	0.9
57.03447	1.8
58.17914	1.1
59.01376	37.5
59.92460	0.9
69.44979	6.0
71.01376	18.9
71.71642	1.0
72.99295	2.9
73.02938	10.4
75.00475	1.5
75.00867	14.4
76.60995	0.9
83.01366	3.0
85.02940	7.6
85.20837	0.9
87.00874	2.9
88.17710	0.8
89.02438	11.6
92.85953	0.9
95.01360	1.4
99.00864	4.3
101.02432	11.4
111.00871	1.3
113.02431	7.7
119.03494	2.7
119.05032	23.2
120.05320	1.4
123.04494	1.3
129.01935	7.5
133.02942	4.7
134.03719	4.9
135.04518	100.0
135.87717	1.1
136.04790	4.8
137.02420	2.4
137.06068	1.2
137.84731	1.0
138.05655	1.1
143.03438	1.3
149.06075	3.2
159.02959	4.7
161.02426	18.5
161.04568	2.2
162.02748	1.0
163.04010	20.6
164.04367	1.3
177.03986	3.7
177.05554	8.2
178.05901	1.1
179.03487	77.5
179.05516	5.9
180.03822	3.0
193.05043	2.5
195.05090	41.4
196.05453	2.0
221.04524	13.1
251.05586	11.4
281.06625	18.3
281.10242	7.2
282.06879	1.7
299.11234	1.5
341.08499	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	341.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
55.33180	1.0
56.45348	1.2
57.01378	1.0
57.03442	3.7
59.01374	20.5
65.24834	1.0
69.03452	1.6
69.42508	1.1
69.97854	1.0
70.77680	2.2
70.78024	1.4
71.01379	55.4
72.99310	3.6
73.02945	1.6
75.00867	42.1
77.87541	1.2
81.83188	1.0
85.02940	8.9
87.00872	10.5
89.02446	7.5
99.00894	16.9
101.02439	5.5
111.00870	2.0
113.02420	3.3
117.03480	2.2
119.05022	43.7
120.05358	1.3
129.01942	23.5
130.02284	1.0
131.03503	3.0
133.06586	3.6
133.48708	1.0
134.03729	4.3
141.01920	1.3
144.36816	1.1
145.02954	10.3
154.46706	1.2
159.02977	15.6
161.06020	6.5
163.04001	40.5
164.04318	2.9
168.28296	1.2
177.04047	57.8
177.05461	2.6
178.04318	1.7
179.05670	2.0
191.17442	1.0
193.04985	5.8
195.05093	100.0
196.05411	3.3
205.05060	8.3
211.84871	1.1
265.07141	1.8
305.06458	1.8
306.17291	1.1
321.69620	1.1
323.07413	1.7
341.08704	64.1
342.09024	7.5
342.12442	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0874
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03449	0.5
59.01379	6.7
69.76367	2.3
71.01376	5.5
71.05012	1.4
72.99300	2.3
73.02937	2.5
75.00868	34.2
76.01215	0.5
81.03465	2.5
81.22463	0.4
85.02947	1.6
87.00869	4.1
89.02435	3.0
97.02904	0.5
98.19984	0.6
99.00894	4.0
99.04543	0.9
101.02438	1.1
113.02426	1.2
117.03432	1.8
119.03484	1.0
119.05036	1.1
129.01939	0.6
131.03445	0.6
133.02950	1.2
133.54137	0.4
134.03737	13.2
135.04530	11.9
137.02362	0.5
143.03490	7.8
144.03813	0.6
147.02988	1.2
149.06073	1.1
153.39749	0.4
161.02449	4.1
161.04482	3.2
161.05605	0.5
165.04036	6.7
179.03561	5.1
179.05598	100.0
180.05923	3.4
193.04997	10.4
194.05302	0.8
260.96097	0.4
341.08475	4.5
342.09128	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
51.57664	1.2
55.01859	1.7
57.03434	6.2
58.00562	2.5
59.01373	100.0
60.01685	1.3
61.98822	6.5
70.76701	3.5
71.01376	73.3
72.01701	1.6
72.99284	4.6
73.02943	22.0
74.18613	1.2
74.86381	1.3
75.00867	31.4
83.01372	7.0
85.02946	14.8
87.00877	12.2
89.02434	34.7
93.03426	1.6
95.01349	2.2
99.00890	10.0
101.01820	1.9
101.02435	32.4
111.00857	1.8
113.02433	20.4
114.02750	1.6
117.03429	2.5
119.02793	1.3
119.03546	16.2
119.05016	53.7
121.02917	1.7
129.01111	1.6
129.01939	18.0
131.03532	7.5
133.02890	2.6
133.06523	2.4
134.03659	4.3
135.04533	8.3
137.05994	3.6
141.01952	1.7
143.03421	3.7
145.02966	7.3
159.03014	9.9
161.02428	8.0
161.04507	6.6
161.06004	4.9
163.03995	28.5
164.04239	2.0
177.04030	41.4
177.05548	3.1
179.03596	6.4
179.05565	13.3
193.04941	3.9
195.05080	71.3
196.05455	1.8
205.04987	5.2
221.04445	2.0
251.05530	2.4
281.07043	2.4
281.10156	15.6
282.10489	1.6
287.81592	1.4
299.11292	20.8
300.11618	1.9
341.08563	53.6
342.08698	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	341.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58087	0.8
59.01384	4.3
64.14005	0.8
67.01884	100.0
68.02219	1.0
69.24790	7.4
69.25189	1.8
71.01363	3.0
81.03465	0.9
88.26134	0.9
89.02435	3.0
93.03460	3.4
96.72413	0.9
101.02444	1.7
108.02180	3.8
109.02935	5.2
117.03428	1.3
119.03448	1.1
121.02946	39.0
122.03763	1.5
123.00942	1.4
124.01710	1.4
133.02924	3.0
135.04535	2.7
136.01651	58.4
137.02469	7.0
143.05103	0.9
146.03709	2.4
147.04498	1.1
151.04001	62.2
152.04338	2.7
159.04504	4.7
160.05292	2.7
161.02415	6.6
161.04695	1.3
161.06052	8.0
162.03178	1.5
163.04010	4.7
171.04485	2.7
174.03194	2.6
175.03929	1.7
177.05533	1.5
179.03499	3.9
187.03990	2.4
188.04630	1.2
189.05557	92.8
190.05943	6.4
193.05122	0.9
194.67790	1.1
205.04942	0.8
253.14583	1.6
295.18726	0.9
297.11224	3.6
311.09146	5.4
341.10498	5.4
342.11035	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	341.1085
Annotation	Sucrose
Peak:m/z	Relative Intensity
55.01859	1.1
57.03438	1.2
58.00586	2.5
59.01375	100.0
60.01702	1.9
70.64790	2.9
71.01376	60.0
71.39692	0.9
72.01679	1.3
72.99302	2.7
73.02931	3.4
75.00860	3.0
80.14024	0.9
81.03405	0.9
83.01404	1.6
85.02950	11.5
85.46793	1.1
87.00871	6.8
89.02438	81.7
90.02763	1.6
95.01363	4.1
101.02436	34.8
108.02165	2.1
113.02440	24.7
114.54641	1.0
119.03488	26.3
125.02502	1.2
131.03481	4.7
132.00227	1.2
143.03458	7.0
149.04549	5.9
161.04523	12.8
179.05591	38.2
180.05922	1.7
191.05597	1.6
341.10852	51.8
342.11148	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	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03423	2.5
58.00575	3.9
59.01377	100.0
60.01716	1.7
71.01379	74.7
71.50848	1.1
72.99297	3.5
73.02948	4.0
75.00863	4.9
80.65281	1.0
83.01359	3.0
85.02940	13.1
87.00880	7.6
89.02441	93.0
93.14670	1.3
95.01368	3.6
97.02911	1.4
99.75311	1.1
101.02435	33.8
113.02445	32.0
119.02662	2.1
119.03494	31.9
119.04966	2.3
125.02455	2.3
131.03493	6.1
134.40425	1.1
134.53726	1.3
135.04514	2.2
143.03471	9.4
149.04547	9.0
161.04552	14.0
163.03999	2.4
179.05598	49.8
191.05565	5.2
341.10867	72.1
342.11200	4.8
346.71451	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1391
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
55.01871	4.3
59.01379	2.7
61.98811	0.3
66.72469	0.3
69.99065	0.4
69.99365	1.7
71.01385	2.3
83.01382	100.0
84.01713	2.1
89.02425	1.6
93.03442	0.6
101.02425	0.6
113.02422	0.4
119.03461	0.7
121.02953	18.7
123.00871	4.1
135.04523	0.5
136.05286	31.8
137.05962	1.3
138.03241	2.1
146.03746	0.3
147.04543	2.0
161.02408	0.5
161.04750	0.4
161.06056	1.8
168.04272	9.5
169.04622	0.6
174.49492	0.3
179.05573	1.0
179.07140	1.4
183.31519	0.3
195.06650	0.4
235.09731	5.6
265.12305	1.1
279.08649	0.4
282.12662	1.1
297.14685	0.5
326.07861	0.5
326.11520	4.5
327.11908	0.5
341.13901	40.3
342.11081	0.3
342.14291	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	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.6
69.03456	2.4
70.63323	1.1
73.67065	0.5
83.05019	0.6
84.02158	6.8
89.02426	0.7
90.16916	0.5
97.02953	1.9
97.06583	10.0
99.04511	2.2
113.88922	0.5
119.08624	1.1
121.02921	0.5
125.09711	1.7
127.11248	0.8
137.09642	1.5
147.04628	0.5
158.40823	0.5
171.10257	22.7
172.10678	0.6
175.11391	0.7
193.12329	12.8
193.13965	1.0
194.12691	0.6
197.15384	1.0
209.11848	0.5
211.13403	2.1
221.11789	1.1
225.14943	17.2
226.15302	1.5
243.15977	6.9
244.16219	0.6
253.14474	1.4
273.18506	0.5
283.95380	0.6
291.19601	2.0
305.21225	0.8
305.90344	0.6
333.33261	0.5
341.23288	100.0
342.23645	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	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.2
61.35349	0.5
64.43790	0.6
68.77956	0.5
69.03449	2.1
71.01380	0.8
71.44710	1.0
81.10951	0.6
83.05026	0.8
84.02160	1.1
86.36646	0.6
88.05317	0.5
89.02471	0.7
95.05007	0.7
97.06586	11.7
99.04493	1.1
102.45018	0.5
118.40110	0.5
121.10143	0.6
125.09715	0.9
137.09695	1.0
142.13571	0.5
149.13333	0.6
165.12895	0.7
171.10239	5.6
175.11205	1.5
179.05705	0.5
183.13881	0.8
185.11819	0.6
187.18005	0.5
193.12315	17.7
194.12650	1.3
197.15511	0.7
211.13373	3.7
221.11833	0.8
225.14934	23.9
226.15254	2.0
243.15973	8.7
244.16411	1.2
250.07997	0.6
253.14438	1.1
265.93698	0.5
291.19513	0.9
341.23285	100.0
342.23642	13.0
342.27347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34064	0.2
59.01376	82.7
60.01710	0.7
61.98825	0.7
66.44241	0.2
69.69840	1.4
76.37089	0.2
80.03548	0.2
84.08850	0.2
89.61220	0.3
96.37616	0.3
98.19978	0.3
113.04613	0.3
115.02467	0.3
126.80217	0.2
157.03557	7.1
158.03691	0.7
159.01479	1.7
201.02539	100.0
202.02701	9.2
243.87616	0.2
343.03647	2.9
344.03674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1183
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
59.01379	1.7
66.91952	0.7
69.03453	1.9
69.08822	0.5
71.01360	0.9
71.52083	0.6
83.04984	0.6
84.02151	1.3
85.02936	0.8
95.01368	0.7
95.05045	0.6
101.02482	0.8
108.02145	3.3
109.02947	3.9
119.45761	0.5
121.02985	3.4
122.03725	2.3
123.04529	2.1
123.95692	0.6
124.01667	1.8
135.04515	8.0
136.01654	94.1
137.02455	34.1
138.02751	1.3
147.04521	1.5
151.03995	84.9
152.04355	3.8
154.02797	0.5
159.04538	4.6
160.05322	4.1
161.02440	1.4
161.06033	2.8
162.50717	0.5
163.04015	4.2
171.10260	1.2
173.06018	0.8
175.03992	1.4
175.07570	3.2
176.04767	2.0
177.05569	2.6
179.03513	0.8
182.04608	1.4
187.04047	1.0
189.05595	1.5
191.07072	2.7
211.13443	0.7
229.14508	1.1
267.06738	0.9
267.64310	0.6
268.07281	1.8
282.08948	0.9
283.09784	2.2
313.10858	1.4
328.09790	0.8
343.11823	100.0
343.60822	0.8
344.12106	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	343.1185
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
55.01883	1.3
58.44591	0.3
59.01374	2.5
62.68828	0.3
69.72141	1.3
71.01382	1.0
76.81571	0.2
83.01379	32.6
84.01710	0.7
93.03445	3.0
95.05003	0.6
98.19937	0.5
108.02158	1.7
109.02968	1.5
119.05048	0.8
121.02948	19.3
122.03799	14.7
123.04554	17.5
124.01617	0.9
124.04855	0.6
134.03780	0.3
135.04495	3.0
136.01660	2.0
136.05296	3.5
137.02444	2.3
137.06100	6.2
138.02791	0.5
138.06480	0.3
143.04996	0.3
145.06573	0.8
146.03706	0.4
147.04510	7.7
148.05339	1.7
149.05995	0.5
149.60918	0.3
151.03996	2.1
154.02705	1.2
159.04480	1.0
160.05084	0.4
161.02435	0.3
161.06079	4.8
162.03168	0.3
162.06746	1.3
163.07639	3.8
171.04568	0.4
173.06108	0.4
175.03918	0.4
175.07596	0.7
177.05536	0.8
179.03459	0.5
189.05568	3.0
195.06616	2.8
204.04176	0.6
205.04919	0.9
206.05798	2.0
207.06612	6.6
208.07059	0.5
221.08176	4.6
267.10284	0.5
283.09787	0.8
284.10364	0.9
299.12857	2.3
313.07086	0.3
328.09433	1.6
343.11765	100.0
344.12155	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	343.1184
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
55.01868	1.9
59.01366	1.8
83.01385	37.1
88.45979	0.6
93.03455	2.5
98.20963	0.6
108.02197	1.5
109.02968	1.4
115.52711	0.6
121.02956	17.6
122.03793	15.8
123.04555	18.3
124.01674	1.0
124.04925	0.9
134.03752	0.6
135.04503	1.7
135.36714	0.5
136.01645	0.8
136.05312	4.2
137.02409	1.6
137.06090	6.8
147.04500	6.9
148.05261	1.9
149.02582	0.6
151.04007	0.7
154.02687	1.1
159.04489	0.9
159.86427	0.6
161.06096	5.9
162.06740	1.7
163.07645	4.3
168.04225	0.6
171.04486	0.8
177.05542	1.2
178.36118	0.5
189.05617	3.2
195.06511	2.9
204.04247	0.9
205.04919	1.1
206.05804	2.5
207.06604	8.1
208.70665	0.6
221.08206	4.1
222.08476	0.8
228.94312	0.6
284.10321	0.6
299.12982	1.4
328.09665	1.6
339.33978	0.6
343.11783	100.0
344.12161	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	343.1185
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
55.01873	2.5
57.42572	0.4
59.01373	2.3
59.01628	0.5
61.94806	0.4
69.28661	3.5
71.01369	0.7
83.01384	46.3
84.01687	1.1
92.17423	0.4
93.03481	2.0
97.71571	0.4
98.19796	0.5
108.02161	1.3
109.02966	0.9
119.04999	0.5
121.02959	15.9
122.03751	14.8
123.04527	14.8
124.01650	1.1
124.04890	0.7
133.60426	0.4
135.04527	2.4
136.01707	0.6
136.05286	2.0
137.02417	1.3
137.06079	6.9
144.80901	0.4
146.03758	0.6
147.04523	6.0
148.05252	1.5
151.04013	0.9
154.02673	0.7
159.04471	1.1
160.05299	0.4
161.02373	0.5
161.06070	4.3
162.03194	0.5
162.06799	1.4
163.07689	3.1
168.82671	0.4
171.10309	0.5
175.04063	0.5
175.07556	0.8
177.05574	1.2
179.03320	0.6
189.05530	2.8
195.06622	2.9
203.62773	0.4
204.04300	0.9
205.05031	0.8
206.05875	2.3
207.06607	6.2
208.06932	0.4
221.08202	4.5
222.08403	0.5
267.10394	0.4
284.10745	0.8
299.12836	1.6
300.13107	0.4
328.09445	1.1
343.11835	100.0
343.57846	0.4
344.07977	0.8
344.12164	15.5
344.16193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03469	1.1
59.01353	2.1
59.91457	0.9
61.98823	1.8
69.03439	1.3
70.66246	2.4
77.91129	0.8
80.56792	1.0
99.08135	4.9
121.02953	1.1
121.10198	4.2
123.85530	1.0
125.09676	2.1
125.93231	0.9
127.11245	1.0
137.09787	1.5
171.08809	1.8
171.10252	28.2
172.10654	1.9
193.12332	9.0
194.12621	1.3
196.28539	1.0
211.13313	1.9
225.14941	11.4
235.75603	1.1
243.16037	4.6
255.09875	0.9
284.14236	1.2
293.21109	2.8
313.03537	1.5
340.52853	1.0
343.11771	2.3
343.24857	100.0
344.25189	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	343.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.3
59.01382	3.8
66.44810	1.8
71.52894	3.5
71.53248	2.0
77.61624	1.8
77.70174	1.6
121.10249	8.7
129.50279	1.7
138.94063	1.8
153.09273	1.8
171.10252	53.8
172.10544	3.8
228.17247	2.2
297.24277	8.5
313.03354	4.0
325.27560	1.9
328.05823	2.2
343.11734	3.2
343.24765	81.8
343.28537	100.0
344.25064	10.2
344.28851	15.1
349.39484	2.0
369.81845	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	345.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.6
57.03437	0.8
59.01377	27.8
65.03959	33.0
66.04289	1.1
67.01868	2.0
68.99805	1.6
69.03452	5.6
71.01377	19.5
71.50771	1.1
72.99298	1.5
73.02947	6.8
73.06567	0.7
75.00873	1.0
82.57039	0.7
83.01379	9.9
85.02949	10.9
87.00871	0.9
89.02438	6.5
93.03468	4.6
93.03951	0.8
95.01386	14.0
95.05020	3.8
99.00891	3.0
101.02436	12.6
106.04273	0.7
108.02225	1.1
109.06541	1.0
111.00874	56.7
112.01199	2.4
113.02448	10.9
119.03489	2.8
119.05008	2.4
121.06586	12.2
123.00853	2.5
123.04539	2.1
125.02431	1.2
125.11069	0.9
135.02921	1.0
135.04507	1.0
139.00363	1.6
139.04005	37.0
139.07607	1.3
140.04358	1.8
141.01929	100.0
142.02249	4.6
150.03188	1.3
159.03096	0.8
161.04538	2.5
163.07674	1.0
165.05537	19.6
167.03448	1.0
170.05833	0.8
171.06642	1.3
173.04547	5.2
183.06601	41.6
184.06918	2.7
184.13927	0.9
191.05594	2.3
240.90166	0.7
345.11874	88.3
346.12283	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
59.01107	1.6
59.01378	16.7
65.03959	44.2
66.04295	2.2
68.24535	1.1
69.03455	4.0
69.24788	7.4
69.25187	1.9
71.01379	11.5
73.02941	2.1
79.58979	1.0
83.01377	2.2
85.02948	2.4
89.02431	4.1
93.03456	3.1
94.22350	1.0
95.01387	1.2
95.05019	3.7
101.02456	7.4
113.02439	4.1
119.03453	2.1
119.05004	2.9
121.06570	16.7
139.04018	42.4
140.04355	2.8
165.05569	15.8
183.06624	46.9
184.06914	2.6
198.89041	1.0
199.54347	1.0
209.28030	1.1
265.86618	0.9
345.11862	100.0
346.12192	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	345.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01073	0.8
59.01374	16.4
61.98822	1.1
65.03958	54.5
66.04313	1.8
66.28430	0.7
69.03466	1.3
70.26549	2.7
71.01379	9.6
72.99306	0.7
73.02946	1.6
80.76027	0.6
83.01385	1.0
85.02960	2.4
89.02441	4.3
93.03445	4.2
95.05020	3.0
98.19994	1.1
101.02455	4.8
103.05530	0.8
105.80096	0.7
110.72819	0.6
113.02465	1.9
119.03482	0.9
119.05022	3.5
121.06591	22.0
122.06974	1.3
139.04012	60.9
140.04341	3.5
165.05556	24.0
165.09232	0.9
166.05908	1.3
179.05655	0.8
183.06610	100.0
184.06985	5.0
345.11871	59.7
345.15045	2.4
346.12222	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	345.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76320	1.1
55.01878	2.5
57.03444	2.5
57.75395	1.0
58.00597	2.0
59.01377	51.3
69.47439	7.5
71.01379	50.0
72.99293	2.1
73.02938	12.5
83.01386	5.9
85.02942	18.5
86.03284	1.4
87.00869	1.7
89.02440	19.3
90.73043	1.1
95.01355	3.3
99.00885	5.2
101.02435	34.6
102.02748	1.4
109.02959	2.0
113.02435	18.5
116.05040	3.6
118.06603	2.4
119.03490	12.7
121.06652	1.3
121.10205	4.7
124.42742	1.2
125.02570	1.1
130.08702	5.5
136.01625	3.9
143.03561	1.2
151.04012	3.3
159.02994	2.8
161.04552	7.9
168.42168	1.1
175.03961	1.3
176.04742	1.5
183.10068	2.6
191.05551	2.5
191.07149	2.0
267.06430	5.6
282.08926	5.2
283.09286	1.4
297.11276	12.1
299.01349	1.2
315.12408	1.7
319.01468	1.1
337.47818	1.4
345.15494	100.0
345.21509	8.7
346.15833	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
57.03429	1.6
58.00578	4.0
59.01374	90.5
71.01376	45.8
72.99301	2.7
73.02926	1.6
73.78581	1.0
83.01384	2.2
85.02942	9.5
87.00877	1.7
88.20600	1.1
89.02435	46.2
95.01361	4.1
99.85815	1.0
101.01804	2.1
101.02438	30.4
105.09628	1.0
113.02439	17.5
119.03485	20.7
124.98840	1.0
143.03459	3.1
161.04631	1.2
179.05630	1.4
345.15503	100.0
346.16055	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	2.6
59.01376	59.7
61.15686	1.2
71.01381	31.9
72.99310	2.5
76.98860	1.0
78.45948	0.9
83.01385	2.8
85.02959	5.7
86.03403	0.9
89.02443	27.2
95.01401	2.5
101.02435	20.9
109.02956	20.7
113.02447	9.9
116.82028	1.0
119.03473	9.4
119.04075	0.8
121.02934	2.0
121.10225	1.5
131.33704	1.1
136.01666	20.5
137.02451	1.6
143.03612	1.3
145.02864	1.0
151.03995	15.8
152.04320	1.6
158.03677	1.4
159.04463	1.8
160.05281	2.0
165.09200	12.1
175.07634	1.8
183.10263	2.8
204.67877	1.3
221.06081	1.5
239.07063	4.9
249.05496	1.2
250.06374	2.9
267.06586	28.6
268.06924	3.0
282.08994	25.7
283.09299	3.0
297.07907	2.3
297.11295	47.2
298.11664	4.8
315.12369	6.8
324.82083	1.1
345.15527	100.0
346.15866	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	345.1551
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01870	1.7
57.03431	2.0
58.00586	2.9
59.01375	86.3
64.14337	0.9
66.43946	1.1
71.01375	46.3
72.01705	1.9
72.99301	3.4
73.02914	2.3
83.01379	3.8
85.02951	8.7
89.02436	44.0
90.02805	0.9
95.01384	4.3
101.02440	30.8
102.02727	1.1
113.02443	18.7
119.03502	22.1
131.03477	2.5
143.03522	1.5
143.69972	1.0
157.87363	1.1
161.04523	2.1
179.05618	2.1
307.34387	1.1
345.15500	100.0
346.15750	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	346.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78553	0.2
59.01373	2.8
60.01698	0.3
61.98826	100.0
62.98543	0.2
69.76648	0.8
69.91670	0.2
104.91199	0.2
107.06924	0.2
201.02568	0.5
202.02650	1.3
203.02251	1.5
203.99974	48.3
205.00113	4.3
346.01004	1.1
347.01477	0.3
353.67520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1344
Annotation	Angeloside
Peak:m/z	Relative Intensity
59.01378	40.8
61.76155	0.9
71.01379	18.2
72.99286	1.7
73.02958	1.3
79.98922	1.0
83.01399	1.1
85.02945	3.7
85.06557	2.2
89.02435	17.0
95.01411	2.2
97.85910	1.0
101.02447	9.8
109.02914	1.4
111.08146	7.3
113.02435	8.0
119.03498	6.5
123.08147	2.7
141.09233	2.1
144.44894	0.9
167.07108	17.8
168.07455	1.3
173.08171	11.6
174.08548	1.3
177.05597	1.0
185.08170	67.1
186.08524	3.9
218.25771	1.0
221.04535	3.5
249.07521	1.0
311.07651	3.8
347.13431	100.0
348.13776	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	347.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
58.00594	1.2
59.01378	46.9
60.01701	1.1
61.01789	1.4
69.16292	9.9
71.01377	26.8
72.01720	1.2
72.99295	2.0
73.02943	7.7
75.00876	1.1
80.26955	0.9
82.08667	1.1
83.01396	2.7
85.02953	7.0
87.41474	0.9
89.02447	18.2
89.02959	1.8
90.02799	1.3
95.01386	1.6
99.00925	1.1
101.02435	14.6
113.02454	10.2
119.03487	7.0
149.04521	0.9
155.10803	5.9
161.04546	1.7
166.21155	1.0
167.10765	21.2
169.12407	2.7
173.39818	1.0
181.39288	1.1
185.11801	7.8
197.11813	1.5
199.09790	2.9
217.21219	0.9
315.14703	1.1
347.17072	100.0
348.17395	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	347.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
57.03445	2.1
57.07802	0.4
58.00584	0.8
59.01379	23.5
67.42371	0.4
70.53880	1.5
71.01379	21.3
72.01702	0.5
72.99284	1.6
73.02557	0.8
73.02942	8.8
83.01383	7.3
85.02945	13.7
86.00092	2.1
86.03302	0.5
87.00883	1.9
89.02440	1.8
95.01363	1.3
97.02947	0.5
99.00858	3.5
100.37020	0.4
101.02436	22.9
102.02777	0.4
107.04379	0.4
111.00878	1.1
113.02444	7.9
129.01941	0.8
143.03542	0.5
159.03004	0.7
161.04550	2.4
185.11824	2.5
201.63869	0.5
246.72424	0.4
303.18127	1.1
347.17065	100.0
348.17407	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	348.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04781	0.8
50.42154	0.8
53.03067	0.8
55.31075	0.7
56.19743	0.8
59.01373	100.0
60.01711	1.2
61.98814	1.2
64.09029	1.0
70.57075	2.7
71.01397	0.9
80.22723	0.8
83.34002	0.8
102.64100	0.9
118.55363	0.8
119.99770	0.9
175.85132	0.9
191.61470	1.0
217.93010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98824	100.0
70.68119	0.4
111.43763	0.2
144.95232	0.1
162.98450	1.6
163.98592	0.2
164.96410	0.3
203.99953	0.3
205.00134	0.5
205.99832	0.5
206.97423	76.5
207.97527	6.4
348.98557	0.5
349.98309	0.2
351.73383	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	349.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68801	7.3
51.77436	7.5
56.13554	6.7
59.01382	77.6
66.39085	9.7
71.01376	28.2
71.22150	7.7
72.99299	17.1
73.02930	15.5
85.02937	16.0
88.98791	11.0
89.02425	24.7
92.73733	8.0
99.00858	13.0
101.02438	21.8
108.02165	15.6
113.02445	18.0
117.54994	8.9
125.06058	11.4
129.01938	13.5
153.05568	15.0
159.02965	100.0
169.04962	12.0
171.06488	8.1
241.34843	8.0
248.64691	7.7
307.34045	8.9
349.06924	9.0
349.11212	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	349.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01726	1.4
60.29944	0.7
61.98817	1.7
69.38261	6.1
71.01373	7.6
73.02946	1.1
77.62507	0.8
85.02957	3.0
87.00869	0.9
89.02440	7.9
95.01424	0.7
97.44454	0.7
99.00851	0.8
101.02437	5.5
113.02464	3.1
116.92930	1.0
119.03472	4.2
134.03574	0.7
136.07635	1.0
139.78752	0.6
143.03508	0.8
149.02431	3.7
149.04515	0.7
150.03119	0.9
161.04573	1.9
164.04816	0.9
165.05615	1.7
179.05605	1.3
219.65292	0.7
286.08670	1.2
301.10825	2.6
307.14151	0.8
349.14801	3.4
349.18842	4.2
350.11441	0.9
350.15390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21237	0.7
53.13810	0.6
59.01377	100.0
60.01723	1.7
65.33166	0.6
69.03458	5.2
69.42196	4.7
71.01377	3.4
73.02961	0.7
80.10057	0.6
85.02950	0.9
89.02451	2.7
97.02991	1.1
99.00886	1.4
101.02441	2.0
113.02448	1.8
119.03505	1.8
143.92632	0.6
145.21449	0.6
147.03674	0.6
161.04575	0.9
163.04102	0.7
179.05606	1.2
180.81898	0.6
185.00940	2.6
203.02055	1.0
296.96109	0.6
305.10962	1.1
349.18741	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
59.01378	100.0
71.01375	10.2
73.02951	2.9
83.01402	1.4
85.02943	5.0
87.00872	0.7
89.02442	9.1
98.20740	1.5
99.00868	1.3
101.02438	8.1
113.02420	4.5
113.65767	0.6
119.03501	3.1
143.03510	0.8
143.14813	0.9
157.64789	0.8
161.04539	3.6
178.97125	0.8
179.05635	1.9
187.09752	1.4
187.13406	1.4
189.60005	0.8
236.65704	0.8
294.88666	0.8
305.10489	1.2
307.17664	3.8
349.14581	1.4
349.18604	8.3
350.19211	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
57.03445	2.9
58.00599	4.8
59.01376	100.0
60.01713	1.6
61.98818	1.0
62.57579	0.6
69.03469	1.0
69.27514	6.4
71.01378	81.4
71.05030	0.8
72.99304	2.9
73.02948	7.7
76.50323	0.6
77.20537	0.7
81.88239	0.7
83.01385	4.5
85.02946	18.8
87.00862	5.1
89.02439	70.9
90.02772	2.0
95.01383	6.2
97.02959	0.8
99.00899	3.5
99.04521	5.5
101.02436	42.6
105.50639	0.8
113.02444	30.4
114.02735	1.0
119.03491	31.5
125.02430	1.1
127.07631	0.7
129.01968	1.1
131.03487	3.3
139.05200	0.7
143.03500	5.4
147.03036	0.9
149.04498	1.9
159.02945	1.9
161.04544	16.2
169.08698	0.8
179.05588	10.9
179.07004	1.0
185.11813	0.9
187.13387	6.6
201.11357	1.3
250.56409	0.9
287.10123	0.8
303.09503	0.8
349.09946	3.3
349.14755	4.3
349.18640	38.7
350.15283	1.1
350.18881	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	349.1865
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
54.04477	0.4
55.01868	1.0
57.03421	0.6
58.00599	0.4
59.01075	0.6
59.01375	11.6
62.06685	0.4
62.57539	0.4
68.99801	0.6
69.02677	0.4
70.60658	0.9
71.01378	8.1
72.01688	0.4
72.99293	1.0
73.02941	2.5
75.00892	0.5
77.17664	0.5
83.01373	2.3
85.02941	3.7
87.00873	1.8
89.02437	1.8
95.01342	0.5
99.00874	0.9
99.31525	0.4
99.93222	0.5
100.48867	0.5
101.02440	5.8
111.00880	0.6
113.02477	2.4
113.03154	0.5
119.03458	0.7
131.19554	0.4
141.12935	0.8
169.12344	0.6
178.33228	0.4
187.13380	34.1
188.13698	2.6
196.74550	0.4
201.14970	0.7
229.14423	0.7
307.17554	1.1
331.17557	1.3
349.18643	100.0
350.19006	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	349.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96718	0.7
59.01376	100.0
63.70904	0.7
70.81870	1.4
70.82200	0.7
71.01381	3.9
73.02957	0.8
85.02979	1.2
97.18210	0.6
101.02446	3.3
113.02486	2.1
134.15114	0.8
161.04642	2.6
220.28348	0.7
289.16577	2.0
295.39719	0.7
299.57297	0.8
311.62479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96718	0.7
59.01376	100.0
63.70904	0.7
70.81870	1.4
70.82200	0.7
71.01381	3.9
73.02957	0.8
85.02979	1.2
97.18210	0.6
101.02446	3.3
113.02486	2.1
134.15114	0.8
161.04642	2.6
220.28348	0.7
289.16577	2.0
295.39719	0.7
299.57297	0.8
311.62479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06427	0.5
57.73441	0.5
59.01371	2.9
61.17106	0.4
61.98826	100.0
65.12440	0.4
71.01382	0.9
76.30254	0.5
83.05009	0.5
93.03500	0.5
107.01403	1.0
113.02406	0.6
135.04500	1.2
151.00388	1.6
161.09819	0.5
233.57362	0.5
287.05484	1.0
351.10895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12024	18.7
58.02873	15.4
59.01366	22.6
71.42195	21.7
225.50215	17.0
260.18350	16.7
267.79321	17.5
315.10614	31.6
351.08411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32537	0.6
57.03435	1.0
59.01377	100.0
60.01703	1.2
61.21323	0.7
69.65377	3.9
71.01378	9.7
71.05050	1.0
73.02934	2.8
83.01397	0.9
85.02962	3.6
87.00880	0.8
89.02457	2.9
93.03471	3.0
98.20628	1.3
101.02441	4.8
105.03465	1.2
109.02970	1.2
113.02442	4.7
123.04533	2.1
127.07659	0.7
133.02951	6.0
135.04549	2.4
143.03459	0.9
145.26546	0.7
147.06654	1.5
150.03278	0.8
151.04071	0.8
153.05606	4.6
159.02988	1.5
161.04544	13.4
173.04567	3.0
177.01961	2.0
179.03493	1.2
189.05594	1.8
191.05594	4.3
208.00652	0.7
215.05652	3.0
219.55273	0.7
291.10995	2.1
351.07596	1.4
351.12918	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	351.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01718	1.8
61.98821	0.7
66.79506	0.6
71.01405	1.5
73.03983	0.7
90.07751	0.6
91.23494	0.6
95.79318	0.6
96.96043	0.9
101.02475	1.5
104.61772	0.6
113.02473	0.7
121.06284	0.7
145.02942	1.3
267.55991	0.6
270.65060	0.8
288.38098	0.8
351.10931	3.8
351.20309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97432	0.7
52.25742	0.7
55.01874	6.2
56.93229	0.7
57.03447	4.6
58.00587	3.6
59.01377	82.2
60.01702	1.2
61.98830	1.6
69.03472	0.9
71.01378	100.0
71.51975	0.9
72.01715	2.2
72.99297	4.3
73.02559	1.6
73.02948	21.4
75.00895	0.8
83.01383	8.9
84.02162	1.1
85.02946	40.2
86.03326	1.3
87.00890	4.9
89.02442	43.6
90.02775	1.2
93.03412	1.4
95.01379	9.1
97.02951	1.9
97.29769	0.7
99.00879	9.6
101.02441	64.4
102.02760	1.4
108.04568	1.5
108.18733	0.8
113.02446	39.6
114.02821	0.9
115.45435	0.8
119.03496	17.1
119.04945	1.5
120.22327	0.9
122.06124	1.5
125.02414	1.9
129.01939	1.0
131.03542	1.1
133.02943	3.1
136.04060	1.3
138.05600	1.1
143.03487	6.9
145.03040	1.1
149.04527	1.7
159.02985	7.9
161.04553	56.4
162.04851	2.3
166.05051	1.9
167.05869	2.4
173.04555	0.9
173.11832	1.2
174.12814	0.9
179.05612	6.5
183.74585	0.7
187.13426	1.1
189.14978	6.8
191.05605	2.2
205.03569	1.3
214.74374	0.8
235.08571	1.1
245.13020	0.8
289.12009	3.6
307.12994	5.6
338.26428	0.8
351.07275	1.3
351.11890	10.0
351.20209	65.6
352.11743	1.3
352.20639	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	351.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97432	0.7
52.25742	0.7
55.01874	6.2
56.93229	0.7
57.03447	4.6
58.00587	3.6
59.01377	82.2
60.01702	1.2
61.98830	1.6
69.03472	0.9
71.01378	100.0
71.51975	0.9
72.01715	2.2
72.99297	4.3
73.02559	1.6
73.02948	21.4
75.00895	0.8
83.01383	8.9
84.02162	1.1
85.02946	40.2
86.03326	1.3
87.00890	4.9
89.02442	43.6
90.02775	1.2
93.03412	1.4
95.01379	9.1
97.02951	1.9
97.29769	0.7
99.00879	9.6
101.02441	64.4
102.02760	1.4
108.04568	1.5
108.18733	0.8
113.02446	39.6
114.02821	0.9
115.45435	0.8
119.03496	17.1
119.04945	1.5
120.22327	0.9
122.06124	1.5
125.02414	1.9
129.01939	1.0
131.03542	1.1
133.02943	3.1
136.04060	1.3
138.05600	1.1
143.03487	6.9
145.03040	1.1
149.04527	1.7
159.02985	7.9
161.04553	56.4
162.04851	2.3
166.05051	1.9
167.05869	2.4
173.04555	0.9
173.11832	1.2
174.12814	0.9
179.05612	6.5
183.74585	0.7
187.13426	1.1
189.14978	6.8
191.05605	2.2
205.03569	1.3
214.74374	0.8
235.08571	1.1
245.13020	0.8
289.12009	3.6
307.12994	5.6
338.26428	0.8
351.07275	1.3
351.11890	10.0
351.20209	65.6
352.11743	1.3
352.20639	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	351.2176
Annotation	Manaarenolide C
Peak:m/z	Relative Intensity
55.44711	4.0
57.03443	8.0
59.01370	34.0
61.98827	14.8
62.03990	4.7
63.54451	4.2
67.05511	4.5
69.03459	7.3
69.12889	5.4
71.05016	6.4
71.52504	5.8
73.02931	5.8
85.02952	15.9
99.04510	32.4
101.06067	8.7
111.04522	38.3
125.09705	7.9
133.03011	6.3
141.09125	4.7
151.11267	27.2
153.09196	19.0
153.56810	4.5
169.12239	9.6
173.04539	5.4
219.17496	13.8
239.16510	50.2
289.21704	13.6
307.22641	25.3
308.22858	6.3
309.24921	4.5
333.20776	23.6
334.21332	6.0
351.21735	100.0
352.22070	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	353.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
60.69870	0.4
63.95816	0.3
67.01878	0.6
70.78542	0.6
71.01373	0.9
73.02926	0.4
81.07700	0.3
83.05015	0.4
85.02937	8.1
86.03307	0.4
87.00860	1.5
93.03465	3.2
99.04522	0.6
109.02953	0.7
111.04478	1.1
127.04043	1.9
133.02893	0.6
135.04492	1.7
161.02437	1.8
171.02971	0.6
173.04527	1.7
179.03496	0.9
191.05594	100.0
192.05959	4.9
192.90140	0.4
228.73483	0.4
237.53981	0.4
353.08527	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	353.0875
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.01660	0.2
59.01356	0.4
59.49563	0.3
60.41922	0.3
71.01376	0.4
73.40392	0.3
83.26919	0.2
85.02949	3.9
87.00881	0.8
93.03473	1.8
98.19920	0.4
109.02985	0.3
111.04503	0.4
127.03991	0.4
135.04472	0.7
161.02470	1.5
173.04486	0.8
179.03464	0.9
191.05597	100.0
192.05939	4.8
192.07539	0.5
353.08725	2.1
353.76227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0874
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01370	0.6
71.01404	0.3
71.06749	0.6
71.07095	0.4
81.03450	0.3
85.02939	5.8
87.00886	1.0
93.03460	2.0
109.02925	0.5
111.04498	0.8
124.08713	0.3
127.04001	1.6
135.04518	0.4
161.02454	2.8
171.02960	0.6
173.04427	0.6
179.03386	0.6
191.05592	100.0
192.05922	5.4
234.32123	0.4
353.08701	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0874
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
54.57386	0.3
59.01374	1.2
67.01891	0.4
69.26391	2.1
69.26819	1.2
71.01389	0.8
83.05032	0.6
85.02940	5.9
86.58217	0.3
87.00849	1.1
93.03460	2.6
94.86771	0.3
97.68201	0.3
99.04505	0.4
109.02924	0.5
111.04527	0.8
127.03996	1.9
133.02901	0.5
135.04506	1.2
161.02376	1.9
171.02985	0.6
173.04501	1.5
179.03458	1.5
191.05594	100.0
192.05927	3.9
214.27235	0.3
266.78275	0.4
343.42410	0.4
353.08740	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0874
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.76342	0.2
58.00577	0.3
59.01380	1.8
71.01370	0.6
73.02928	0.4
76.23547	0.3
79.22623	0.3
85.02946	8.2
87.00867	1.5
93.03456	2.8
98.20655	1.3
99.04475	0.3
109.02928	0.6
111.04494	1.1
111.57282	0.4
127.03994	1.9
133.02954	0.5
135.04497	2.4
137.49283	0.4
149.06058	0.4
161.02380	1.7
171.02930	0.6
173.04546	2.0
179.03505	2.2
191.05595	100.0
192.05939	4.5
229.49495	0.4
297.06833	0.4
353.08801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19120	0.2
59.01369	0.4
75.05135	0.2
79.30573	0.2
85.02942	0.3
108.02151	0.5
122.03753	0.8
135.09731	0.2
147.04514	1.4
148.05302	1.9
149.06067	100.0
150.06403	6.0
191.05722	0.2
229.82951	0.3
353.12283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
51.43354	0.3
55.31172	0.3
57.95045	0.3
59.73162	0.2
62.42073	0.2
84.02170	0.2
86.62065	0.3
96.95992	2.8
113.64044	0.3
135.27277	0.3
145.82201	0.3
147.08112	0.4
160.94728	0.3
163.11276	90.2
164.11610	5.7
177.09193	68.3
178.09528	4.3
191.05597	0.5
198.42621	0.3
222.08992	0.6
331.30597	0.2
353.21176	100.0
354.21533	14.6
354.25970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.8
61.98830	100.0
71.52555	5.3
110.19333	5.0
355.19513	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	355.088
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
50.60089	0.6
55.01874	2.3
57.03449	6.5
58.00570	1.4
59.01374	26.4
63.26741	0.6
67.01884	2.8
68.99835	0.8
69.03452	7.2
70.11850	1.1
70.12235	2.0
71.01376	42.9
72.01721	1.1
72.99303	59.5
73.02939	64.9
73.14993	0.6
74.03297	0.8
75.00872	2.9
78.95898	2.9
83.00912	1.0
83.01380	7.7
85.02943	62.1
86.03298	1.9
87.00875	8.7
89.02440	7.9
95.01384	12.5
96.99302	1.5
99.00875	14.7
99.01523	0.8
101.02432	31.5
102.02769	1.0
103.00368	2.3
103.04021	3.9
111.00888	2.0
113.02441	100.0
114.02772	3.5
115.00365	12.0
119.03503	3.5
119.52409	0.6
120.95486	1.4
125.02475	0.8
129.01938	22.2
130.02304	0.9
131.03491	59.5
132.03835	2.2
135.47444	0.7
152.91739	1.1
157.01413	21.9
157.02707	1.2
158.01636	0.8
161.04535	4.0
162.96545	5.2
169.00098	0.7
173.90167	0.6
175.02461	80.8
176.02809	3.9
178.96019	3.3
179.05592	2.0
192.97568	3.2
193.03490	1.9
196.92404	1.1
198.82147	0.8
204.97559	0.9
214.02068	1.1
220.97009	1.0
221.06717	2.2
265.05594	26.7
266.05966	2.3
278.01102	0.8
280.99112	1.0
295.06760	3.0
313.01608	0.6
354.91464	0.9
355.02939	8.6
355.08774	22.5
356.03085	1.8
356.09030	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	355.1031
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01375	48.0
61.98820	4.7
62.98503	2.9
69.35002	15.7
71.01376	25.1
79.88243	2.3
79.97543	2.6
82.78640	2.3
83.01397	2.7
85.02940	6.0
89.02415	12.0
93.03460	3.1
94.67060	2.8
98.20691	4.9
101.02417	10.3
113.02410	8.8
117.03457	6.1
119.03501	2.3
119.04995	5.1
121.02990	2.8
123.04489	2.4
132.02179	13.2
133.02924	7.4
133.06581	2.9
134.02736	4.4
134.03734	86.8
135.04053	4.6
137.02457	3.9
139.04051	3.2
145.02913	8.2
147.04503	10.7
148.05330	4.5
149.06070	25.3
150.03146	3.4
150.06654	2.8
151.04002	39.2
160.01640	82.0
161.02145	5.2
161.06036	3.3
163.03999	5.0
175.03987	100.0
176.04767	27.7
178.02699	10.4
179.03452	3.2
179.05550	4.4
191.05577	6.2
191.07112	36.4
193.05014	97.8
194.05402	8.6
205.04979	3.1
207.06596	9.9
216.38173	3.1
217.04990	7.6
220.03810	2.5
231.64626	2.5
235.06081	74.6
236.06490	6.5
265.07147	59.1
266.07382	4.1
295.08209	89.0
295.11450	3.0
296.08588	5.3
355.10376	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1032
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.90226	0.6
58.67714	0.7
59.01378	9.7
69.36562	0.6
70.27087	2.5
71.01365	4.5
72.99290	0.9
73.02942	0.7
83.01397	0.9
85.02941	1.9
87.00859	1.4
89.02435	3.3
98.20567	0.7
101.02454	3.1
113.02456	1.7
113.45224	0.6
119.03502	1.4
119.05045	0.8
132.02165	12.4
133.02960	7.0
134.03743	10.1
135.04482	2.6
145.02930	0.9
147.04558	1.2
149.06056	3.1
150.52248	0.6
151.03979	1.4
160.01654	60.6
161.02441	21.6
162.02737	1.8
163.03952	1.5
175.03990	100.0
176.04346	6.0
178.02704	0.8
179.03481	1.9
183.72176	0.7
191.05583	1.8
191.07137	1.8
192.05911	1.0
193.04964	18.2
202.02631	0.6
205.05034	1.1
217.05077	6.4
235.06149	3.6
265.07178	2.2
295.08228	1.9
355.10263	17.7
356.10834	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82012	0.6
69.21457	3.1
69.21877	3.1
71.01377	3.0
73.87847	0.6
81.01751	0.6
93.03450	7.5
109.02950	2.2
115.05524	0.8
121.02944	54.3
122.03719	2.3
131.05006	2.6
136.01653	0.8
137.02434	60.6
138.02794	2.7
139.03996	13.4
147.04521	1.7
148.01654	9.9
149.02434	15.1
150.02785	0.8
151.05887	0.6
158.03773	1.1
159.04501	85.7
160.05289	60.3
161.05594	3.9
163.03951	1.0
165.01904	3.1
174.03203	2.0
174.06758	1.5
175.03993	2.9
191.03520	2.1
203.03543	3.1
204.04245	21.4
205.04654	1.7
233.29593	0.6
311.12741	0.8
336.01038	0.8
355.11823	100.0
355.48688	0.7
356.12408	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2277
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
61.98822	6.1
70.00803	2.9
70.01215	4.1
85.02951	2.9
96.64993	1.2
109.02956	2.8
121.02960	4.2
122.03721	8.5
127.07664	1.5
135.04504	24.1
136.04811	2.0
147.08159	3.5
149.06119	2.4
149.09717	9.2
151.07568	2.0
154.02721	2.5
161.09698	9.3
163.07626	4.1
163.11276	56.3
164.08409	17.9
164.11592	3.2
165.09180	8.2
175.38499	1.2
177.09192	83.4
178.09923	22.4
179.10757	79.1
180.11118	6.1
183.10164	1.6
191.10727	14.0
193.08702	8.1
276.36707	1.3
280.14563	2.0
281.15302	1.9
298.15704	50.9
299.16010	8.5
303.17065	1.3
321.18906	1.7
337.21707	60.4
338.22189	7.2
340.20377	97.3
341.20697	12.2
355.22763	100.0
356.12430	2.1
356.23029	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	356.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	20.7
61.98825	100.0
70.04437	0.6
70.99842	1.5
71.01377	11.5
72.99304	0.7
73.02946	10.2
83.01399	2.9
84.61925	0.6
85.02959	2.1
87.00838	0.7
88.56011	0.8
89.02426	5.1
93.03457	1.0
95.01382	1.0
98.93633	0.7
99.00906	0.6
101.02423	8.5
108.02164	1.1
113.02468	4.7
119.03474	3.4
119.50862	0.7
122.02464	1.0
123.04499	1.7
129.01991	0.7
131.03488	0.8
131.07147	3.8
135.04514	15.6
147.03038	0.9
151.03946	0.9
152.04344	1.1
153.05576	2.5
161.04503	0.9
193.06085	1.2
195.05107	0.9
195.06656	1.1
288.22861	0.6
293.12390	18.0
294.12872	2.5
297.09726	4.1
309.82712	0.6
315.10809	11.4
356.10629	3.3
357.11926	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	356.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43299	0.5
52.78294	0.5
55.01872	1.8
57.44108	0.6
61.00274	0.6
61.98827	100.0
65.35771	0.6
69.19925	4.7
77.39256	0.6
83.01380	28.8
84.65627	0.6
87.58347	0.8
98.20695	1.4
109.03001	0.6
109.56757	0.6
117.92470	0.5
121.02946	8.9
122.03749	6.6
123.04529	1.9
136.01675	3.9
136.05322	1.4
137.02415	0.7
137.06076	4.3
147.04550	2.3
151.03996	4.1
161.06076	1.1
178.94069	0.7
209.08179	0.9
221.08220	2.4
241.12204	0.6
254.17381	0.6
254.55371	0.7
313.14371	0.8
342.10962	3.2
356.12698	1.6
357.13400	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1189
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
52.65814	1.3
55.01848	1.8
56.10147	1.5
58.00571	4.1
59.01376	80.6
61.66592	1.3
61.98818	1.6
69.44968	2.5
69.45373	6.8
69.83044	1.4
70.60043	1.2
71.01378	43.8
72.99277	3.3
73.02924	2.8
83.01385	23.3
84.01700	1.5
85.02951	8.2
85.32032	1.3
87.00860	2.2
89.02438	42.3
95.01341	4.4
99.55575	1.3
101.02431	25.7
109.02911	4.6
113.02451	18.6
115.78322	1.3
118.15197	1.2
119.03495	20.5
121.02913	4.4
122.03700	4.6
123.04476	2.9
131.03413	2.0
133.06589	48.4
134.06895	2.4
136.01581	4.2
137.05994	3.3
143.03514	2.2
147.04503	2.3
149.04504	2.3
151.03941	6.1
151.07634	2.8
153.01936	1.3
161.06024	1.7
175.03940	2.3
176.69295	1.5
177.05557	57.8
178.05826	4.1
179.05583	1.6
189.05495	2.2
190.06308	1.7
221.07910	1.9
266.00604	1.3
312.09964	2.9
321.74164	1.5
327.12314	15.7
328.12631	2.2
328.96793	1.3
342.10892	3.1
357.11868	100.0
358.12280	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	357.1187
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.01861	1.4
57.60593	1.1
58.00573	3.2
59.01375	86.3
61.98811	3.0
66.65668	1.2
69.16358	2.7
69.16769	9.9
70.12478	1.1
71.01376	44.4
72.99288	2.6
73.02939	1.8
73.39841	1.3
83.01383	20.0
85.02948	9.7
87.00816	1.7
88.09859	1.1
89.02438	42.1
95.01349	5.2
101.01804	2.1
101.02433	30.5
109.02918	2.3
113.01746	1.3
113.02441	16.3
119.02691	1.3
119.03487	21.6
121.02939	3.5
122.03706	4.4
123.04490	1.4
133.06583	48.1
134.06879	2.4
136.01590	4.2
136.05225	1.9
137.05978	3.6
143.03445	2.2
147.04448	1.6
151.03918	4.3
151.07622	2.4
175.03889	2.4
176.04607	2.2
177.05553	68.0
178.05806	3.4
179.05588	3.0
217.29942	1.4
221.08066	2.6
230.02228	1.5
265.15228	1.4
279.06659	1.7
327.12442	10.1
328.12424	1.4
342.10989	1.4
357.11859	100.0
358.12070	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	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
58.00587	1.0
59.01378	34.8
60.01712	0.8
61.98814	2.4
69.68230	5.4
71.01382	18.6
72.99296	2.0
73.02924	1.4
83.01385	22.6
85.02944	3.4
87.00874	1.3
89.01940	1.5
89.02443	19.6
93.03513	1.0
95.01378	2.2
101.02448	13.3
107.05038	0.8
108.02184	1.0
113.02447	6.5
119.03495	7.9
120.99635	1.6
121.02938	4.2
122.03743	5.5
123.00910	0.9
123.04505	1.7
134.03769	1.1
135.04494	1.0
136.01639	3.3
136.05280	1.3
137.06053	3.5
143.03484	1.3
147.04437	1.7
151.04041	4.1
152.07039	1.0
161.02443	1.5
161.04521	1.0
161.06007	1.1
162.03214	58.8
163.03746	4.5
176.04590	0.9
177.05563	100.0
178.05901	6.0
195.06566	2.9
209.04463	1.5
221.08105	1.9
224.51599	1.1
327.12238	2.4
342.11017	2.7
357.09433	1.4
357.13480	25.7
358.13773	3.1
369.04236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56103	1.6
52.70195	1.2
53.74586	1.3
55.01865	4.6
58.87624	1.4
59.01373	100.0
60.01702	1.8
61.98799	1.4
69.03429	2.5
69.37164	10.9
71.01373	48.8
72.99289	2.1
73.02940	83.9
75.00881	3.2
83.01378	60.8
84.01710	1.4
85.02954	7.0
87.00877	1.6
89.02424	10.0
91.05521	2.1
91.58463	1.4
93.03463	2.1
95.01460	1.8
96.96029	2.3
99.00869	1.8
101.02431	62.1
107.05029	4.9
108.02166	25.0
109.02923	2.1
113.02429	14.5
114.02754	1.5
118.16570	1.3
119.03500	3.2
121.02910	6.8
122.03754	11.1
123.04522	9.2
125.02464	2.4
129.01845	1.6
131.03503	4.1
134.03729	7.2
135.04512	48.2
135.05534	2.8
136.01651	5.0
136.05109	1.7
137.06094	5.9
143.03473	2.8
147.04546	2.5
149.04532	2.3
151.03981	8.5
151.07608	1.5
153.05577	7.8
158.20546	1.4
161.04570	7.5
161.05974	1.9
195.05092	2.4
195.06657	2.3
209.08026	2.3
221.08324	3.2
231.36075	1.7
297.09854	2.4
299.96844	1.6
315.10995	4.7
342.11020	4.3
356.51779	1.6
357.13434	51.1
358.13727	5.8
360.82022	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80172	0.4
67.89574	0.3
69.03438	0.4
69.13736	0.5
69.14145	2.2
80.87963	0.4
83.01380	1.8
84.02196	0.6
93.03455	1.3
95.01396	0.6
98.20680	0.6
108.02178	2.4
109.02946	1.3
121.02950	10.2
122.03085	0.3
122.03761	4.1
123.00880	1.1
123.04524	0.7
124.01682	0.7
133.02983	0.4
134.03758	1.3
135.04535	0.7
136.01653	83.4
137.02325	4.3
137.05991	0.4
140.10794	0.3
145.02878	0.3
147.04521	0.7
149.02499	0.4
149.06036	0.6
151.03998	100.0
152.04358	4.9
154.02707	0.6
158.59729	0.3
159.04518	0.7
160.05267	1.4
161.02390	0.6
161.06041	0.4
162.03223	2.2
163.03990	3.3
164.04395	0.3
175.04021	1.5
175.07597	1.5
176.04762	0.4
177.05621	1.7
179.03513	1.2
187.03990	0.7
189.05547	1.0
193.05080	0.3
256.07336	0.5
267.06558	0.4
311.12988	0.8
327.08603	0.4
327.12158	0.4
342.11041	10.5
343.11356	1.0
357.13391	39.1
358.13721	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	357.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49733	0.3
55.01867	2.4
69.15031	2.9
69.15369	0.5
71.01387	0.4
71.86646	0.3
83.01381	46.8
84.01712	0.9
93.03477	0.5
96.35806	0.2
104.92921	0.3
109.02937	0.5
121.02934	6.4
122.03736	10.7
123.04556	4.4
135.04485	0.4
136.01619	0.6
136.05264	2.2
137.02435	0.3
137.06079	7.4
138.06433	0.4
145.57805	0.3
146.03783	0.3
147.04515	4.2
151.03922	0.3
161.06082	2.3
162.06836	1.0
168.04214	0.5
191.07101	0.8
205.05081	0.6
206.05812	0.3
209.08174	2.6
210.08820	0.3
221.08162	8.2
222.08582	1.1
222.53946	0.3
235.09706	0.4
245.26038	0.3
283.09656	0.4
298.12012	0.6
303.54300	0.3
313.14316	2.0
314.15097	0.3
342.11038	6.2
343.11337	0.7
357.13394	100.0
358.13754	17.2
358.17352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.134
Annotation	5-Deoxykievitone hydrate
Peak:m/z	Relative Intensity
69.03427	1.1
69.26745	5.3
69.27143	1.6
83.01388	1.6
93.03462	2.4
108.02184	2.8
109.02939	2.1
117.03484	0.7
121.02942	14.6
122.03761	5.8
123.00877	2.0
124.01659	1.3
134.03691	1.2
135.04491	1.9
136.01651	100.0
137.02518	8.0
147.04430	1.0
151.04001	93.7
152.04337	4.9
159.04466	1.1
160.05302	1.7
161.02408	0.9
162.03191	3.5
163.03999	6.5
165.32108	0.7
175.04001	2.1
175.07634	2.0
176.04715	1.4
177.05550	2.3
179.03487	1.4
189.05548	0.9
225.40656	0.9
311.12814	0.9
327.08722	1.5
342.11066	13.3
343.11487	2.2
357.13397	55.9
358.13766	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	357.1334
Annotation	Matairesinol
Peak:m/z	Relative Intensity
55.01875	3.6
59.01379	0.5
60.32694	0.2
69.17113	2.0
71.01380	0.9
72.32887	0.3
81.03433	0.3
83.01381	77.2
84.01723	2.0
85.02944	0.3
86.49920	0.3
88.12679	0.2
93.03458	1.6
95.01418	0.3
95.04996	0.5
108.02165	0.4
109.02934	1.0
119.04955	0.4
121.02063	0.6
121.02945	14.0
122.03740	20.5
123.00840	0.5
123.04536	10.6
124.01652	0.9
124.04848	0.5
135.04497	1.4
136.01685	2.2
136.03123	0.2
136.04225	0.3
136.05286	7.9
137.02486	1.3
137.06076	11.2
138.03223	0.6
138.06386	0.7
146.03731	0.6
147.04504	9.3
148.04892	0.5
149.06052	1.0
151.04012	2.1
153.01791	0.3
154.02704	0.9
159.04480	0.8
160.05257	0.6
161.02435	0.8
161.06062	5.2
162.06866	2.8
163.03934	0.3
168.04272	1.2
173.06160	0.3
174.67885	0.3
175.04007	0.6
175.07645	1.1
176.04753	0.4
177.05556	0.4
191.07127	1.0
195.06526	0.3
205.05009	0.7
206.05807	0.8
209.08156	4.3
219.06516	0.3
221.08188	7.1
222.08485	0.4
235.09753	0.3
283.09744	0.6
284.10181	0.3
295.13324	0.3
297.11307	0.5
298.12057	1.7
313.14401	2.3
342.11041	7.2
343.11435	0.8
357.13391	100.0
358.13733	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	359.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	79.4
60.01712	0.7
61.72548	0.8
70.98779	1.2
75.42111	0.6
75.70831	0.8
90.97085	0.8
132.98190	1.3
140.34972	0.7
157.03574	2.6
159.01497	0.7
174.99239	19.2
182.53087	0.6
201.02545	23.5
202.02669	2.5
213.20988	0.7
217.00279	100.0
218.00639	2.6
244.47537	0.8
256.87665	1.6
274.88632	0.8
316.89890	2.0
359.01450	4.9
360.01700	1.2
370.62109	0.6
375.72784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0977
Annotation	Kuanoniamine D
Peak:m/z	Relative Intensity
53.54509	4.2
59.01383	26.3
65.03949	9.7
68.97022	4.2
68.99815	6.8
69.03452	16.2
69.50420	26.2
71.01372	45.8
72.99314	36.6
73.02932	10.2
75.00871	7.8
76.16978	4.0
77.53218	4.4
81.03464	8.4
83.01382	9.2
83.05018	4.3
85.02939	11.1
87.00869	17.8
89.02440	18.2
91.05522	5.1
91.89138	3.7
93.03457	20.7
95.05037	13.7
96.51418	3.7
97.06618	4.0
99.00874	14.1
101.02441	19.3
107.05047	21.7
109.02937	26.1
109.06594	11.9
111.04506	8.9
113.02433	16.0
119.05025	18.2
121.02959	21.0
121.06577	16.5
123.04522	19.5
124.01669	6.0
125.02442	4.5
125.06068	13.1
127.47218	3.8
129.01942	29.1
131.05029	5.3
133.06570	10.7
135.04509	63.9
137.02460	4.3
137.06067	57.7
139.04021	11.0
147.04478	11.1
149.02419	7.1
149.06058	36.4
151.03999	10.4
151.07655	9.5
153.05580	16.7
155.07138	7.1
159.02954	4.7
159.04536	5.8
161.40685	4.0
163.03996	11.3
163.07622	5.5
165.05515	35.3
167.07091	10.2
177.04089	8.7
177.05539	75.5
179.03487	20.5
179.07103	9.7
181.05055	88.3
182.05302	4.1
183.06610	4.5
193.05099	3.8
195.06609	47.4
197.04495	16.6
199.06094	11.1
207.06650	5.7
209.04510	9.8
211.06084	4.9
221.04550	24.8
239.05583	90.5
240.06053	5.8
251.05496	4.1
359.09872	100.0
359.13974	11.3
360.09985	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1345
Annotation	Semperoside
Peak:m/z	Relative Intensity
51.95282	0.6
53.30647	0.6
54.81887	0.8
57.03436	0.8
58.00590	0.8
58.66696	0.7
59.01374	33.2
70.07893	0.7
71.01382	15.8
73.02950	0.8
75.08180	0.7
83.01393	1.1
83.05024	1.0
85.02954	3.5
87.00858	6.3
89.02440	14.6
93.03457	2.2
94.45797	0.7
95.01357	1.3
98.20663	2.3
100.86810	0.9
101.02436	8.1
107.05040	0.8
109.06581	20.8
110.06886	0.9
113.02441	5.0
116.60955	0.7
117.07053	1.1
119.03481	4.7
135.08151	77.3
136.08476	3.8
143.03429	0.9
153.09203	49.1
154.09502	2.4
161.04608	1.2
179.07121	2.0
185.11780	2.1
197.08170	100.0
198.08510	6.6
298.49213	0.8
329.12582	0.8
344.68948	0.8
359.13419	42.3
360.13788	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1346
Annotation	Junipediol A 8-glucoside
Peak:m/z	Relative Intensity
58.00591	2.3
59.01375	100.0
61.95303	1.3
61.98836	2.6
66.77272	1.3
69.97986	5.8
71.01376	43.7
73.02958	1.8
83.01358	1.5
85.02961	6.6
87.00890	3.9
89.02441	45.8
95.01391	1.9
101.02447	24.1
101.74306	1.3
113.02441	19.9
119.03500	20.3
119.05002	20.9
121.02926	2.3
135.04465	1.6
136.05296	4.9
137.06058	2.1
138.52325	1.3
143.03496	5.6
149.04549	4.0
161.04555	4.8
163.04005	2.9
164.04774	5.5
178.06409	2.0
179.05576	7.6
179.07135	12.0
197.04520	5.2
197.08189	7.8
222.63660	1.7
299.11322	25.8
300.11646	3.8
359.09830	4.0
359.13586	4.9
368.69504	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36423	0.6
69.25326	4.7
69.25727	1.4
82.88951	0.6
83.01387	0.9
93.03436	1.1
98.01542	0.7
109.02959	0.7
121.02948	10.6
122.03712	2.7
123.00866	1.3
124.01653	1.1
133.02945	1.9
134.03694	1.7
135.04504	2.5
136.05289	1.5
137.02373	1.6
143.05013	1.5
145.02927	1.1
146.03737	1.5
147.04520	5.3
149.02449	2.1
149.06081	0.7
150.03235	6.2
158.03732	5.8
159.03215	1.1
159.04510	19.2
160.05292	48.0
161.02458	4.5
161.06070	14.8
162.02870	0.7
162.06410	0.7
163.03987	7.9
164.04805	7.0
173.06049	7.9
174.03220	0.9
174.06828	1.4
175.03979	2.3
175.07634	36.8
176.04749	2.3
176.07979	1.2
177.05551	10.0
178.06345	13.7
179.03462	2.4
179.06866	0.8
188.04842	0.8
190.06296	1.5
191.07094	2.2
192.07869	2.8
193.08644	2.7
205.08690	1.2
208.07407	1.1
305.59460	0.7
314.11600	0.8
329.13913	100.0
330.14249	13.0
338.99725	0.7
344.60266	1.5
345.10754	1.1
359.11880	9.9
359.62509	5.8
360.12595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
58.00574	1.0
59.01376	95.9
60.01695	1.2
60.17410	0.8
62.53590	0.8
63.24246	0.8
67.01893	3.7
69.03458	1.2
69.40585	5.5
71.01387	7.2
73.02966	1.0
80.38576	0.8
83.01393	1.7
84.55417	0.8
85.02940	2.4
87.00862	1.3
89.02428	1.9
93.03455	24.1
93.04029	1.5
94.03789	1.3
94.21224	0.9
99.00816	0.9
101.02453	3.7
109.02971	2.2
111.00864	1.7
111.04532	5.0
113.02444	2.5
121.02939	2.8
123.04467	0.9
135.04523	2.0
135.08163	2.0
136.01646	4.2
137.02512	4.1
138.02092	2.1
139.61328	0.9
142.03201	0.9
151.03996	3.6
152.04317	4.5
153.04530	2.8
153.09171	1.2
155.03502	4.5
161.02245	0.8
161.04556	0.9
165.05490	1.2
173.04536	100.0
174.04846	4.7
182.31610	0.9
183.07782	1.0
185.11803	18.6
186.12090	1.2
197.08160	1.5
227.06862	2.9
236.09520	0.9
261.05350	2.2
275.09506	0.8
299.09305	0.9
317.15891	2.1
318.64203	0.9
329.10159	1.3
359.13696	3.0
359.17459	13.3
360.17322	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	361.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
58.00582	0.8
59.01377	35.1
61.98828	16.5
62.78728	0.7
66.92591	0.7
69.03459	2.3
69.58100	0.6
70.22144	2.7
71.01382	8.5
72.99322	1.2
73.02956	2.4
83.01383	1.3
85.02941	3.2
89.02446	6.1
93.03497	1.0
95.01402	1.2
96.71056	0.7
98.20641	0.8
101.02439	9.0
113.02434	5.2
119.03565	3.2
119.05023	77.1
119.08634	1.3
120.05362	4.2
127.11306	0.7
137.09723	1.9
139.07625	3.3
140.07111	4.1
145.02943	2.5
146.04579	1.3
161.04672	2.6
163.04002	100.0
164.04359	6.3
178.05011	0.6
178.62140	0.6
179.05725	0.9
181.08720	2.5
199.09753	1.8
255.11469	1.0
273.12506	1.2
299.10373	0.9
317.11411	2.1
319.13788	1.3
325.09305	10.0
326.09637	1.2
361.10706	1.2
361.14975	25.9
362.15063	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0924
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
59.01376	6.3
62.60876	1.1
69.98235	0.9
71.01390	2.3
72.99298	16.8
73.02932	1.5
75.00859	1.6
78.35738	1.1
93.03481	1.4
96.96013	2.2
147.04510	0.9
148.48799	1.1
177.03978	2.5
181.06537	2.5
183.10187	1.1
193.06583	5.4
200.24847	1.1
207.08148	9.4
209.06046	1.5
211.07596	2.5
219.08099	13.9
220.08484	1.1
223.07640	3.3
225.09178	11.5
235.07613	8.5
237.05528	1.6
237.09175	31.9
238.09502	3.2
251.07076	1.8
253.08693	25.8
254.09097	3.8
255.06474	1.8
255.10356	2.6
263.07089	5.8
269.08188	6.7
275.77322	1.3
279.06696	1.6
281.08206	17.6
282.08560	2.9
297.07642	7.4
299.09180	8.0
307.06131	3.7
315.08707	56.2
316.08945	6.7
325.07187	3.6
343.08203	40.9
344.08572	4.3
361.09241	100.0
361.14359	3.3
362.09598	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	361.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31812	3.3
58.00595	2.6
58.55067	2.6
58.71236	2.6
59.01377	100.0
61.98825	3.9
63.47274	2.8
69.71017	10.5
71.01012	3.9
71.01382	55.1
72.99301	5.7
74.87480	2.6
85.02950	11.0
87.00874	4.1
89.02441	80.0
95.01385	3.8
101.02441	49.4
107.05026	5.8
108.02164	38.4
109.02956	3.4
109.80245	2.8
113.02441	30.6
117.00842	2.4
119.03492	44.2
123.00883	3.0
123.04468	3.7
124.01646	9.9
125.02432	4.6
131.03529	3.8
134.03770	3.2
135.04518	49.0
136.04779	2.4
137.05994	5.1
143.03491	4.2
151.03957	10.1
153.05560	9.8
158.30942	2.5
161.04543	6.6
163.03920	3.5
168.39926	2.5
179.05569	12.2
181.05103	5.2
199.06154	2.7
213.05588	2.7
236.55421	2.8
258.67764	2.4
315.10849	18.3
360.52054	2.9
361.11359	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	361.1138
Annotation	Procumboside
Peak:m/z	Relative Intensity
59.01376	76.4
61.98823	6.0
63.19880	1.9
68.46632	1.9
70.46012	4.6
70.46368	3.8
71.01378	26.8
72.97528	3.6
73.02930	5.9
82.35878	2.1
83.01368	3.3
85.02934	9.5
87.00874	3.4
89.01900	2.3
89.02428	10.0
93.03439	5.4
95.01368	5.2
97.02941	2.6
99.00880	3.3
101.02442	11.2
101.03039	2.4
108.02197	3.1
113.02447	16.1
119.03481	3.4
119.05019	2.3
121.02955	4.0
123.00881	100.0
123.04517	2.6
124.01672	16.4
125.02450	2.4
127.00392	4.0
137.02467	4.2
137.06073	13.2
138.03221	80.1
139.04045	25.9
143.03476	8.0
149.02434	3.3
151.03976	7.6
155.07127	4.5
157.01474	3.1
157.08627	2.8
159.03058	3.5
161.04550	25.3
181.05064	15.8
191.60135	2.4
193.05003	4.2
199.06053	7.2
276.84390	2.2
301.09293	41.1
301.12646	2.2
302.09647	4.0
361.11618	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	361.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
58.00586	0.9
59.01376	100.0
60.01708	1.6
61.98820	4.4
69.35951	5.2
71.01379	21.4
72.99310	1.0
73.02946	6.6
83.01373	3.9
85.02948	7.1
87.00884	0.9
89.02433	9.8
95.01408	1.9
99.00880	2.2
101.02437	15.9
101.42912	0.7
107.05032	1.2
109.06610	1.8
111.04533	1.9
113.02458	11.0
113.03178	1.1
114.02849	0.8
119.03509	4.9
119.05000	4.4
125.02459	1.0
137.02409	1.4
137.06079	3.8
139.07661	1.6
143.03537	1.2
155.07141	1.2
157.08687	12.6
158.09082	1.0
161.04552	9.7
163.03987	5.2
165.04037	1.0
165.08827	0.7
179.05659	1.3
181.05061	1.8
181.12224	0.6
253.10768	0.8
261.04782	0.6
301.12897	11.2
319.13953	22.5
320.14410	1.5
322.21683	0.7
361.11224	4.2
361.15195	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
62.70039	0.9
64.63539	0.9
68.66337	0.8
69.29901	8.4
85.03028	0.9
85.06587	2.6
95.05043	0.9
96.60430	1.2
104.23244	0.8
107.47222	1.0
111.04483	1.7
121.44941	0.9
144.23819	1.0
181.05104	1.8
183.06624	3.4
183.82901	1.0
215.49852	0.9
216.47415	0.9
224.06850	1.1
231.06689	1.1
231.10210	2.7
231.14142	1.0
274.12048	2.1
275.12714	2.6
343.18994	4.6
353.86826	1.0
361.20175	38.3
362.20367	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	361.9891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.9
60.01714	1.0
61.01789	0.3
61.98826	100.0
62.98536	0.4
65.31680	0.3
69.87073	1.1
69.87488	0.7
80.16141	0.3
96.41804	0.3
153.78862	0.3
167.60020	0.3
174.99249	0.8
175.99686	0.4
177.96675	0.3
178.98488	0.6
193.36687	0.3
201.02574	0.7
203.22940	0.3
203.99971	3.8
204.01883	0.3
204.02773	0.6
205.00105	0.3
206.97415	0.4
217.00249	2.2
218.00632	2.3
219.00368	0.6
219.97734	52.9
220.97758	0.5
220.99776	2.2
317.43268	0.3
361.98947	0.9
362.99158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99359	1.1
56.03439	0.9
58.03588	1.1
59.01376	22.7
61.98825	35.4
65.03965	1.6
69.81513	3.9
71.01378	5.8
80.29429	1.0
82.67802	0.9
85.02938	1.4
89.02451	4.5
95.89507	1.2
98.20530	1.5
99.00841	1.2
101.02444	1.9
113.02492	1.5
114.12219	0.9
119.03524	1.3
119.05016	3.5
121.06570	1.2
128.75563	1.0
136.01662	2.2
136.64737	1.0
137.02434	100.0
138.02744	4.9
139.03976	3.1
157.08707	3.7
163.04066	2.6
165.05493	1.5
183.06683	5.7
199.68309	1.0
201.11453	1.2
244.92230	1.0
251.55063	1.1
299.07693	40.8
300.08051	3.1
303.14511	7.6
362.11487	2.1
363.12344	1.4
363.16702	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	362.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17699	0.6
59.01374	11.3
61.98826	100.0
65.40598	0.5
71.01364	3.3
71.51693	0.8
71.52371	0.7
72.99350	0.8
85.02972	1.8
89.02456	3.2
96.17657	0.7
96.87924	0.6
101.02451	2.5
113.02467	1.4
119.03517	1.6
119.05028	2.7
120.05373	0.8
137.02492	0.9
139.03998	0.9
161.04550	0.8
163.04010	3.0
165.05537	0.6
183.06628	1.8
250.21558	0.6
253.23128	0.6
267.05264	1.1
357.83658	0.6
363.12311	1.0
363.16534	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	362.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.5
61.98828	100.0
65.67718	0.6
71.01376	3.6
71.51481	0.8
80.21172	0.6
85.02927	1.0
89.02457	2.7
101.02452	2.4
113.02436	1.0
119.03539	0.9
119.05038	1.3
120.05365	0.7
130.68277	0.6
131.49480	0.6
132.21939	0.6
139.04057	1.4
145.09834	0.5
152.44151	0.6
153.33447	0.6
161.04500	0.7
163.04024	1.8
164.04419	0.9
165.05536	0.8
183.06674	1.6
363.16577	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	362.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56828	2.0
59.01377	7.5
61.98828	100.0
70.78350	4.6
110.04850	2.0
143.88362	2.7
145.21780	2.7
162.04390	2.2
176.58539	2.4
199.86765	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	363.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.3
64.67375	0.8
65.03960	41.3
67.93273	0.9
69.03449	1.1
71.01379	4.5
71.50465	1.2
75.45754	0.8
85.02952	2.2
87.00877	7.1
89.02457	4.0
93.03460	4.4
95.05042	2.3
101.02417	2.8
113.02435	1.8
115.00359	3.0
119.03481	1.1
119.05022	2.7
121.06593	15.7
122.06882	1.0
132.09961	0.9
139.04008	56.2
140.04353	1.6
142.99861	3.3
151.13387	1.0
161.00938	4.3
165.05562	15.2
166.05862	1.0
174.08492	0.9
179.05637	1.4
183.06606	100.0
184.06961	5.1
189.55991	0.9
202.95018	1.7
244.99751	1.5
258.97745	1.1
287.00732	1.1
327.07230	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76066	1.2
59.01374	6.6
65.03960	40.6
70.45990	1.1
70.46328	2.9
71.01396	2.9
87.00880	11.2
89.02430	3.4
93.03451	3.7
93.22962	1.3
95.05035	1.9
101.02427	1.7
113.97903	1.1
115.00351	3.7
119.05027	2.5
121.06598	14.9
139.04005	48.0
140.04352	3.0
141.65184	1.3
142.99846	6.1
147.15199	1.5
161.00928	8.6
165.05554	18.3
172.85556	1.3
183.06612	100.0
184.06950	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48880	0.7
57.03443	1.1
59.01376	100.0
60.01724	1.4
61.79694	0.6
61.98825	1.2
63.49076	0.6
65.03948	1.8
65.48110	0.6
71.01390	2.3
71.31711	0.9
84.90562	0.6
85.02949	12.9
85.03470	0.8
89.02441	1.6
93.90686	0.6
97.02956	1.5
101.02433	3.0
103.26218	0.6
107.05041	0.7
109.06611	1.7
111.04546	2.1
113.02458	1.5
119.05040	1.5
120.16113	0.6
121.06612	1.2
139.03989	4.1
139.07645	1.3
145.05081	2.7
157.08696	12.9
163.04007	2.1
165.05594	0.8
179.48222	0.7
183.06599	4.4
190.77420	0.7
211.14847	0.6
216.90523	0.6
301.95428	0.6
303.14459	18.3
304.14917	1.7
307.82895	0.7
363.12808	1.3
363.16800	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50215	0.9
57.03434	4.7
59.01376	47.8
68.99837	0.9
69.03427	2.4
69.21967	5.9
69.22372	1.6
71.01376	46.6
72.99299	3.6
73.02930	2.0
75.00865	36.3
77.09235	0.8
83.01387	1.4
85.02950	10.0
87.00871	8.0
89.02434	3.8
97.02940	2.3
99.00880	6.6
99.77412	0.8
101.02447	4.1
105.01926	3.1
111.00888	2.1
113.02454	2.6
129.01933	9.9
131.03548	2.1
135.04492	1.8
139.11292	1.2
141.01917	2.9
141.12885	1.1
159.02994	7.4
161.04573	0.9
177.04021	45.7
178.04402	1.1
183.29558	0.8
185.11795	35.2
186.12160	1.8
199.13420	1.6
257.08328	0.9
327.14514	5.4
363.16559	100.0
364.16922	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	363.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81093	0.5
54.29400	0.6
55.01865	2.9
57.03440	1.6
58.00571	1.6
58.53166	0.5
59.01376	52.3
60.01709	0.5
65.54547	0.6
65.76697	0.6
69.17099	6.0
71.01377	30.7
72.99294	2.8
73.02943	7.2
75.00861	0.7
83.01381	4.0
84.70572	0.6
85.02945	10.1
86.00101	1.1
87.00855	2.1
89.02440	24.3
90.02805	0.6
95.01364	2.2
99.00877	1.9
100.34698	0.6
101.02438	22.5
113.02444	10.3
117.03455	0.7
118.98189	0.6
119.03504	9.9
119.05033	1.2
120.03789	0.6
122.40476	0.7
125.09692	1.0
133.06694	0.8
135.28328	0.6
138.05568	1.0
139.04022	0.8
143.03481	1.2
145.02972	1.9
155.10724	0.9
161.04543	2.3
161.06059	1.4
163.04022	1.5
164.98337	0.6
165.62592	0.5
171.10202	2.7
179.05638	3.2
183.10246	13.3
184.10471	0.7
201.11328	6.7
205.05008	1.7
213.28941	0.6
235.06075	1.6
237.48727	0.6
257.12936	2.5
265.06989	3.0
279.31726	0.7
325.09320	0.9
325.56171	0.6
333.15573	1.4
333.50314	0.6
345.11224	0.7
345.15509	21.6
346.15906	2.7
363.16574	100.0
364.16965	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	363.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25227	0.7
57.03445	1.2
58.00592	1.8
59.01376	38.5
60.01705	1.0
60.99301	1.0
65.03950	2.5
67.74079	0.8
69.30595	1.3
69.31001	5.2
71.01384	18.5
72.99307	2.4
73.02959	1.4
75.00864	1.1
82.02984	1.5
82.58703	0.7
83.01381	2.3
84.00410	0.8
85.02944	7.6
85.37784	0.8
87.00889	1.5
89.02439	17.4
95.01376	1.4
101.02435	11.8
102.02751	0.7
106.83743	0.7
113.02447	6.9
118.06553	0.8
118.82079	0.8
119.03507	6.7
122.93764	0.8
129.01868	1.0
131.03531	1.1
136.04039	1.1
137.09656	0.8
139.04001	3.2
153.09186	0.9
158.95753	0.9
161.04562	1.5
164.03513	1.7
165.05539	1.2
177.04128	1.0
179.05588	1.0
183.06662	4.4
183.10251	21.6
184.10577	1.1
185.11830	11.2
189.80392	0.8
194.04535	0.9
194.36768	0.7
196.06209	1.2
201.11288	6.5
206.39316	0.9
287.10446	6.0
331.09283	2.3
363.16583	100.0
364.16959	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	363.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	7.3
58.87976	1.9
59.01118	2.9
59.01384	42.2
64.98257	1.7
67.01883	3.1
71.01382	19.1
71.51912	2.7
72.94970	1.6
72.99290	5.7
73.02919	2.2
75.00867	6.1
83.01385	5.7
85.02950	8.3
87.00877	21.6
89.02431	5.4
91.42013	1.9
99.00880	3.2
101.02440	4.6
103.00322	3.1
105.01936	57.8
109.47720	1.8
111.00877	23.5
115.04014	2.7
129.01941	39.9
130.02206	2.5
147.02966	22.8
177.04051	46.9
185.11823	58.4
186.12189	3.4
264.24997	2.3
297.13403	16.7
319.12955	2.0
345.15515	2.4
363.16602	100.0
364.17059	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	363.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.54922	0.5
58.00570	0.5
59.01379	100.0
59.81324	0.5
60.01737	0.7
60.16291	0.5
71.01378	4.6
71.53214	0.9
73.02964	2.1
79.21879	0.5
79.52407	0.5
82.90200	0.6
83.01405	0.9
85.02943	2.5
88.43371	0.5
89.02491	0.7
95.01349	0.5
101.02448	3.1
103.45129	0.5
105.01964	0.5
109.81563	0.5
111.00808	0.4
113.02483	1.7
124.31322	0.6
161.04544	1.4
185.11908	0.5
187.07677	0.7
201.11334	0.9
237.14821	0.5
321.19052	4.2
356.45392	0.5
363.11362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
58.00591	0.6
59.01376	100.0
60.01708	1.5
62.92418	0.3
71.01376	10.4
72.99320	1.0
73.02940	1.6
76.17198	0.4
81.03438	1.6
83.01373	1.7
85.02954	3.3
87.00884	0.6
89.02437	7.8
89.02939	0.5
93.03480	0.7
95.01402	1.0
95.05027	0.4
97.02961	1.1
99.00853	0.5
99.04523	1.1
100.32645	0.3
101.02431	6.4
101.62412	0.3
107.05038	1.3
108.02174	2.9
113.02454	3.7
119.03497	3.5
121.02934	3.8
122.03741	0.6
123.00880	0.4
123.04521	2.0
125.02406	1.7
134.03764	1.4
135.04530	10.8
136.05334	3.0
137.02493	0.4
137.06110	1.2
143.03537	0.7
149.06058	0.4
161.04613	1.2
161.13377	0.9
168.04343	1.3
173.09824	0.3
179.05661	0.9
187.11232	1.8
201.09280	1.1
201.11250	0.7
203.14381	0.6
205.12369	1.4
215.10837	0.5
228.07906	0.6
229.12399	1.3
247.13408	0.7
249.11330	1.8
275.13058	0.4
287.09354	0.7
291.12460	1.1
303.18188	0.4
305.10403	0.4
315.10809	1.6
316.11038	0.4
319.11871	8.7
320.12277	1.4
321.19150	3.9
322.19608	0.6
340.64505	0.4
363.10846	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	364.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61480	0.5
59.01382	2.8
59.11998	0.5
61.98829	100.0
64.86221	0.6
70.29478	2.1
96.96024	1.0
98.20670	0.7
107.99626	0.5
120.56961	0.5
136.04076	0.6
146.42305	0.5
171.10327	0.7
201.11322	0.7
209.11861	0.7
211.13467	1.9
229.08807	0.7
229.14478	1.6
254.65820	0.5
301.14621	1.0
328.22260	0.6
329.23318	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01702	13.9
60.78049	3.9
61.01810	5.4
61.98826	95.6
66.90403	4.0
71.51441	6.6
71.84400	4.0
72.97752	3.9
106.16791	4.4
125.60339	4.7
150.45720	5.3
186.78688	5.1
219.06966	12.9
220.07100	14.7
288.13516	12.6
302.16681	7.0
303.16577	14.1
304.16592	83.2
305.16718	7.2
364.28729	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	364.9633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02898	0.3
58.16781	0.3
59.01378	2.6
61.98825	100.0
63.99260	0.4
65.57121	0.3
71.50827	0.6
80.91672	0.6
85.55623	0.3
100.20472	0.3
105.16786	0.3
135.95590	0.7
149.03343	0.3
178.98558	0.5
180.94141	8.7
183.23022	0.3
196.31479	0.3
198.64307	0.3
206.97432	4.2
216.35614	0.3
218.94638	0.3
219.97856	1.0
220.97775	0.6
220.99603	1.4
222.95180	76.1
223.95416	1.1
223.97322	0.8
253.37579	0.3
364.96198	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01702	1.3
61.98824	0.9
71.01375	2.3
72.99327	0.5
75.00882	1.2
79.68383	0.4
83.99374	0.4
89.02441	0.7
89.14464	0.4
98.20672	0.8
99.71157	0.4
101.02444	0.9
106.05319	0.4
113.02509	0.4
123.21233	0.4
129.01920	0.6
159.03009	0.6
177.04089	1.6
187.11845	0.5
187.13342	2.4
234.63065	0.4
239.69887	0.5
245.53087	0.4
329.15906	0.4
365.18073	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	365.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03441	0.9
58.00572	0.4
59.01376	14.9
59.12991	0.4
61.98860	0.6
71.01376	10.8
71.51653	0.6
71.52029	0.5
73.02940	58.2
74.03280	1.0
83.01382	2.4
85.02947	5.5
87.00874	0.7
89.02418	3.8
95.01385	0.8
99.00881	1.6
101.02439	9.5
112.52312	0.4
113.02441	4.2
119.03480	1.7
127.11284	1.1
134.04028	0.4
142.06578	0.6
159.02937	0.8
161.04543	1.9
173.11795	12.0
173.13203	0.8
174.12053	0.9
185.11850	1.0
203.12935	1.0
291.14392	2.7
317.16101	0.7
335.17050	9.3
336.17462	1.3
347.16992	4.7
365.18097	100.0
366.11826	0.8
366.13388	0.6
366.18463	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07157	0.8
53.89503	0.9
54.17907	0.8
57.03453	1.2
58.00563	1.0
59.01376	25.4
68.53517	0.8
69.79950	3.4
71.01374	13.4
73.02930	2.1
81.63116	1.0
83.01386	1.8
85.02940	3.5
87.00870	1.4
89.02444	9.4
98.19987	1.2
99.00883	1.2
101.02436	9.8
106.06279	0.8
110.34489	0.8
113.02445	6.4
119.03490	2.7
124.64602	0.8
127.11282	2.2
155.10768	1.5
157.12328	12.1
158.12564	0.8
171.13892	1.0
185.11815	2.1
196.10313	0.7
203.12869	33.1
204.13321	1.7
229.55855	0.9
239.37367	0.8
365.18109	100.0
366.18460	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43764	0.6
59.01376	100.0
60.01709	0.8
61.98825	2.8
69.25639	0.4
70.85530	0.7
71.01396	0.9
85.02937	4.3
101.02467	1.0
103.04035	0.6
108.02167	0.7
113.06102	0.6
133.03027	0.6
145.05116	1.1
159.10249	3.2
167.03511	0.8
231.04887	0.5
247.91560	0.5
305.16028	8.3
365.14273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35081	0.5
59.01377	100.0
60.01706	1.7
61.98824	9.7
68.31829	0.4
69.49386	3.1
71.01385	1.1
72.99342	0.4
73.02954	0.6
75.00874	0.5
83.19146	0.4
85.02940	6.1
86.03362	0.5
89.02458	0.8
103.04068	0.8
123.04530	0.6
143.78560	0.5
145.05090	1.8
160.04059	2.4
163.06139	0.6
197.18607	0.4
211.06131	1.2
305.15991	5.4
365.18317	0.8
366.08224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01709	1.6
61.98832	3.0
67.19856	0.5
71.01414	1.3
71.50778	0.9
73.02954	0.8
85.02937	3.6
87.00877	0.5
89.02454	1.1
101.02454	1.0
103.04051	0.9
113.02499	0.5
128.66025	0.5
145.05124	1.7
150.05634	1.6
255.85698	0.5
262.37460	0.4
305.16040	4.6
306.16614	0.5
312.10944	1.3
330.12003	3.4
365.18164	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18633	0.5
59.01385	3.0
61.98827	100.0
71.01372	1.2
71.52000	0.5
72.99302	1.3
89.02459	1.0
101.02438	0.7
117.01905	0.5
123.08137	0.4
133.03000	0.8
135.04562	1.2
142.99858	1.1
149.05957	0.5
149.35208	0.5
153.05499	0.5
156.71463	0.5
161.02516	1.6
167.07149	0.6
173.00887	0.6
174.01678	0.8
175.07658	1.0
176.04634	0.5
179.03473	0.9
193.94731	0.5
225.07945	0.5
244.83414	0.5
271.08313	0.6
325.00330	0.6
358.11493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.5
59.01377	3.1
60.99297	1.4
67.01886	4.3
69.03098	0.4
69.03445	2.0
70.66846	0.8
70.67170	0.8
71.01379	2.6
73.02927	0.8
81.03458	1.4
83.05035	1.4
85.02944	5.3
87.00867	7.6
89.02435	0.6
89.04005	0.6
93.03453	32.8
94.03777	1.1
99.00877	0.9
99.04496	0.9
109.02924	1.2
111.04511	5.1
113.02444	0.8
117.03461	1.7
119.05019	6.9
120.05342	0.7
127.03986	1.2
129.01930	1.4
134.03732	14.3
135.04068	0.5
137.02426	0.8
145.02937	1.7
149.00380	0.4
149.06100	0.7
155.03456	1.2
163.03989	5.9
173.04536	15.6
191.05595	100.0
192.05942	5.0
193.05057	5.9
194.05397	0.5
367.10358	5.6
386.34937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
59.01378	3.6
59.22346	0.3
60.99279	0.3
61.98812	0.7
62.92526	0.3
67.01867	0.4
67.52881	0.4
69.03436	0.3
69.66941	1.6
71.01372	3.4
73.02955	2.0
81.03397	0.4
83.01385	0.5
83.05025	0.4
83.49807	0.3
85.02946	8.5
87.00875	2.4
89.02440	1.4
93.03451	4.7
94.03799	0.5
95.01350	0.5
98.79730	0.3
101.02439	1.2
109.02930	0.6
111.04501	1.3
113.02443	2.0
117.03462	7.2
119.03479	0.4
119.05038	2.0
127.03973	1.7
134.03740	3.4
145.02942	31.2
146.03261	2.0
151.07631	0.4
152.08421	1.2
153.09178	1.0
160.01605	0.4
161.02438	1.5
161.04565	0.4
163.03955	2.8
171.03024	0.4
173.04550	2.0
179.03409	0.5
187.03995	1.9
191.05592	100.0
192.05963	4.0
193.05063	1.0
205.12303	0.9
313.64670	0.3
367.10202	4.1
367.17627	0.6
368.13882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16861	0.3
59.01377	3.2
70.72839	0.3
71.25417	0.7
74.37470	0.4
78.96651	0.4
117.50552	0.4
121.02936	1.1
122.03733	0.6
138.06409	0.4
138.36053	0.5
145.43700	0.3
147.04524	1.0
148.05290	100.0
149.05623	4.5
163.07635	71.9
164.07964	4.3
291.56577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31153	13.1
59.01123	16.4
59.01368	100.0
71.01372	63.8
85.02958	26.3
91.15889	12.8
98.20669	34.5
101.02421	29.8
113.02455	27.2
130.84943	13.8
133.03012	14.3
135.04489	40.3
161.02373	70.8
161.04575	12.3
163.03989	19.7
165.43948	12.9
203.03627	15.2
311.09415	18.5
331.08789	13.4
346.11725	17.1
367.11954	24.7
367.62524	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.8
55.96761	0.3
57.03445	2.7
58.00584	0.8
59.01375	26.1
60.01707	0.3
61.98814	1.4
67.01870	0.4
69.03451	0.4
69.43390	2.1
71.01379	28.3
71.05025	0.5
72.01714	0.5
72.99296	0.9
73.02941	14.1
73.06578	0.8
75.00850	0.6
77.79487	0.3
81.03445	0.4
83.01382	7.9
85.02946	18.2
86.00079	1.3
86.03272	0.5
87.00869	2.1
88.53759	0.3
89.02434	4.7
93.03449	1.4
95.01402	2.2
96.36600	0.3
97.02949	1.0
99.00878	5.4
101.02437	37.0
102.02783	1.2
111.00847	0.9
111.04523	0.5
113.02446	12.6
114.02785	0.4
116.22895	0.3
117.03453	0.4
119.03542	0.4
119.05016	6.6
125.02448	1.4
129.01945	1.1
131.03468	1.0
134.03709	1.1
143.03477	1.6
143.07120	0.5
145.02972	1.5
149.04576	0.4
159.02994	2.8
161.04544	13.8
161.05896	0.7
162.04840	0.4
163.03999	5.3
173.04555	1.2
191.05614	5.1
193.05042	0.8
203.89597	0.3
205.03464	0.4
209.49718	0.3
235.11841	100.0
236.12201	6.5
279.10889	0.7
284.58807	0.3
314.50342	0.3
354.94577	0.3
367.11130	0.4
367.16037	11.3
368.16257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03887	2.9
58.17621	3.6
59.01374	6.0
61.98825	100.0
69.98907	15.5
73.20217	3.0
75.55972	3.6
113.02535	4.0
307.10266	4.3
310.82141	3.6
367.16434	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	367.2486
Annotation	Carboprost
Peak:m/z	Relative Intensity
59.01381	3.7
61.98822	2.4
69.15767	5.8
71.01382	0.6
71.05013	1.3
73.02919	0.7
83.04996	0.8
83.99123	0.6
85.06584	1.1
88.32304	0.5
96.95982	0.6
97.06574	0.6
103.00803	0.5
109.06588	1.2
111.08155	0.6
120.36905	0.5
151.11276	1.9
153.12820	7.3
183.17575	0.7
185.68634	0.6
197.84695	0.5
200.03947	0.5
227.16544	4.0
237.18602	3.5
239.16493	2.2
251.16319	0.7
305.24832	7.7
306.25394	0.7
307.10300	2.3
323.25861	25.9
324.26138	3.7
331.22748	0.9
349.23761	11.8
350.24231	1.9
367.24847	100.0
368.25195	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	367.2637
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
61.98816	1.5
70.73576	1.4
71.18159	0.4
88.64216	0.5
112.65655	0.5
133.06589	2.2
134.81819	0.6
136.87106	0.6
149.09702	75.8
150.10056	4.1
177.32224	0.5
189.12801	0.8
205.15948	75.2
206.16267	6.2
228.39101	0.5
229.54413	0.5
276.57956	0.6
286.43903	0.5
367.26367	100.0
368.26715	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	367.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	1.9
67.11750	0.6
69.54644	3.0
69.55053	1.6
122.00457	0.6
133.06584	9.0
134.06956	0.9
143.49559	0.7
149.09714	83.1
150.10092	4.8
194.09378	0.7
205.15956	49.7
206.16293	4.0
295.17023	3.1
328.16708	2.1
355.51889	0.8
367.26379	100.0
368.26727	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	368.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79199	0.3
59.01376	7.8
60.01732	0.8
61.98827	100.0
67.01868	0.7
69.22466	3.1
70.07856	0.3
71.01369	2.4
73.02935	0.6
75.00875	0.3
76.42448	0.3
85.02956	1.7
87.00901	2.1
89.02439	1.8
93.03468	4.2
99.00924	0.5
101.02449	1.0
105.03477	0.4
111.04527	0.6
113.02463	1.1
119.03504	0.8
119.05048	1.5
120.05341	0.6
122.03734	0.6
123.04533	0.8
125.02469	0.4
131.03500	0.7
133.02965	3.7
147.04509	0.5
149.02519	0.4
151.04012	0.4
161.04539	0.4
164.94933	0.3
165.05534	0.8
173.04538	3.2
175.02411	0.4
176.87840	0.4
177.01944	1.1
191.05597	9.6
192.06026	0.9
194.02147	0.6
194.05516	0.4
195.02985	0.9
215.05692	0.6
351.07285	0.9
368.07443	0.4
368.20093	2.5
369.08203	1.1
369.12289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14724	0.9
59.01366	3.2
61.98829	100.0
64.40916	1.1
69.73764	1.1
71.06688	2.0
82.87581	0.9
105.84843	1.0
151.04042	1.1
159.04619	1.8
166.92381	1.1
218.05949	1.2
340.57721	0.9
354.10986	1.4
368.25104	1.2
369.13623	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	369.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80700	6.8
59.01375	56.4
70.63483	6.5
71.01367	34.8
71.51127	10.4
85.02942	8.9
87.00854	17.5
89.02428	69.7
101.02442	44.8
108.02159	24.4
109.02954	8.1
113.02414	16.2
119.03500	40.6
129.01967	9.6
135.04556	19.6
141.99124	6.9
149.02379	9.2
151.03929	7.3
153.05553	28.7
159.02957	30.8
161.04462	8.3
165.05470	8.4
179.05557	32.3
191.05542	36.7
202.10220	6.7
313.86270	8.0
315.10892	70.7
333.11896	47.6
369.09598	100.0
370.09555	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	369.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78947	7.0
59.01381	65.9
61.98818	16.3
69.88985	22.4
69.89377	16.0
71.01377	38.0
79.50739	8.2
85.02963	13.6
87.00874	13.8
89.02431	59.8
92.19839	8.5
95.35438	8.0
101.02406	37.8
108.02149	25.4
108.33145	9.6
113.02483	19.4
119.03513	21.4
135.04492	29.6
153.05525	28.5
159.02969	16.8
171.06627	13.6
175.74989	7.7
179.05574	21.2
221.42648	10.0
309.11713	15.6
315.10843	95.5
333.11838	35.8
369.09512	100.0
370.09460	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	369.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.1
55.01889	1.1
57.03430	3.9
59.01378	6.6
61.98824	21.2
67.01881	1.4
69.03452	45.1
70.03758	1.4
71.01370	5.5
71.05010	2.6
71.52290	1.5
72.99308	1.9
73.77733	0.8
79.01885	8.8
83.01382	2.0
85.02940	9.0
87.00868	1.3
89.02454	1.2
93.03462	1.2
93.24171	0.8
95.01400	7.2
96.96003	1.3
97.02946	57.8
98.03252	1.2
99.00881	5.6
111.00830	1.8
111.08147	2.4
113.02444	3.9
113.06119	1.0
115.00356	1.0
118.05114	1.3
119.05027	6.0
123.00867	3.1
129.03467	1.2
131.03479	10.8
133.02948	1.9
134.34584	1.0
135.04578	4.9
139.11275	10.2
141.01930	100.0
142.02245	3.1
145.03003	2.2
147.04527	12.2
154.96812	1.1
161.02460	1.8
162.09282	1.1
163.03944	3.6
165.05569	19.2
165.99693	1.0
175.02499	3.6
179.03494	5.9
183.10245	35.9
184.10573	3.0
185.00900	18.1
191.05557	3.2
203.01981	5.4
272.90994	1.0
307.08124	2.1
369.11819	31.5
369.15549	2.0
370.12128	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.49046	0.6
55.01876	4.4
57.02701	0.5
59.01377	0.9
59.55336	0.6
67.01888	0.6
69.03453	100.0
69.27525	4.6
70.03782	3.2
71.01369	1.0
72.99306	2.4
74.74226	0.7
74.87473	0.6
79.01888	7.5
83.14751	0.7
85.02951	2.1
95.01397	2.3
97.02949	16.6
98.03254	0.8
99.00876	27.3
105.42915	0.6
113.02396	0.8
123.00881	2.0
125.33261	0.6
141.01927	13.9
142.02299	1.0
149.43117	0.6
183.10301	1.3
185.00906	56.5
186.01292	2.3
326.89594	0.6
369.11829	18.1
370.12234	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	369.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.8
59.01382	7.9
61.98827	17.3
68.99828	1.8
69.03451	41.4
69.51598	8.7
71.01379	8.8
71.05015	1.8
72.99308	2.4
75.84566	1.4
76.04608	1.4
79.01890	10.0
83.01405	1.5
85.02949	9.2
85.03393	1.6
89.02438	2.2
93.03429	3.1
95.01388	8.2
97.02943	59.1
98.03277	2.6
99.00891	4.8
101.02439	1.7
113.02460	3.9
117.03470	1.7
119.05003	15.9
123.00867	2.9
123.04539	1.8
129.01941	1.6
129.03427	10.4
130.04185	1.8
131.03493	7.1
133.02946	1.6
134.03703	2.0
135.04498	4.4
139.11313	9.0
141.01933	100.0
142.02266	3.5
145.02939	3.9
146.03758	1.8
147.04510	50.7
148.04863	2.8
161.02422	1.5
163.04015	5.6
165.05566	99.9
165.99693	1.7
166.05869	6.2
175.02477	4.3
179.03529	7.0
183.10249	34.8
184.10622	1.8
185.00926	17.8
186.01247	1.8
191.05556	2.5
197.23863	1.2
203.01927	3.6
207.02931	1.4
268.08359	1.7
293.98859	1.3
307.08224	3.9
369.11838	39.6
369.16187	3.2
370.12189	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.4
61.98835	0.9
68.99835	0.7
69.56329	3.6
71.01380	2.9
97.07296	0.7
97.42236	0.5
100.67477	0.5
104.53850	0.6
106.64281	0.5
115.05540	3.1
121.02945	5.3
121.06583	0.8
130.04233	2.5
131.04111	1.1
131.05020	13.8
135.04539	0.6
136.01646	12.6
137.02016	1.1
145.06584	11.0
147.00882	7.7
147.04498	1.1
148.01651	1.3
151.04001	19.1
152.04276	1.1
153.05562	6.6
158.03728	14.5
159.04503	38.4
160.04832	1.7
162.03180	1.2
163.03987	2.8
173.06050	18.4
174.03104	0.8
174.06819	8.5
175.07071	0.6
177.05571	1.1
179.03528	2.7
188.04813	1.2
190.02661	1.7
202.02690	1.7
203.01587	1.3
203.03491	20.8
204.03758	1.2
217.05022	1.8
218.05809	12.5
219.06328	0.8
354.11066	12.3
355.11453	1.7
369.13397	100.0
370.13766	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	370.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96753	0.4
55.01876	2.5
59.01378	5.3
60.76756	0.5
61.98828	100.0
70.76340	0.9
71.01385	2.3
72.99295	0.7
75.00878	1.6
83.01385	51.9
85.02949	1.2
87.00894	1.1
89.02422	0.6
93.03493	0.9
101.02454	1.2
121.02951	13.9
121.03766	0.9
122.03745	0.7
123.00881	2.2
123.21362	0.5
133.02998	0.6
134.03732	3.9
135.04546	4.1
136.05299	16.0
138.03252	0.9
147.04527	0.7
149.02454	0.8
149.06099	0.6
161.02438	1.7
164.04843	0.5
168.04282	6.8
175.04059	0.5
176.04677	0.5
177.04066	1.1
177.05609	0.5
179.03497	6.3
180.03793	0.4
193.05034	5.0
195.05058	2.5
209.08177	1.1
235.09763	2.6
250.43694	0.4
307.08322	2.3
356.12561	5.1
360.58508	0.5
371.10028	1.4
371.14948	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	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.3
55.87621	1.4
59.01374	7.1
70.79610	1.3
71.01380	7.6
72.99319	1.8
73.02949	4.8
75.00841	3.2
76.41381	1.4
83.01379	66.8
84.01713	1.5
85.02938	11.7
87.00871	45.1
88.01194	1.6
89.02425	2.6
93.03455	8.2
99.00823	2.6
101.02423	4.1
108.02151	1.7
109.02959	2.0
110.23003	1.6
111.04507	1.7
113.02454	2.5
121.02935	19.0
121.06609	1.3
122.18234	1.5
123.00864	2.0
123.04549	2.4
127.03962	2.2
131.03484	1.8
134.03722	5.6
135.04527	10.0
136.01640	12.4
136.05275	21.4
139.03946	1.4
146.03749	3.1
147.04549	2.2
148.05275	2.1
149.06087	7.2
151.04022	9.6
161.02333	2.6
161.06068	1.6
162.03162	1.4
164.04788	3.4
165.05511	3.3
167.03510	1.7
168.04259	4.3
173.04506	6.0
179.05562	4.6
179.07153	6.6
191.05594	100.0
192.05923	4.1
193.05032	5.8
204.04179	2.2
209.02821	1.8
219.06561	2.3
235.06059	15.6
235.09715	3.5
265.07159	2.5
295.08224	4.3
324.17230	1.7
353.08743	1.6
356.12476	5.0
371.09744	68.0
371.14850	27.7
372.10065	8.4
372.15179	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	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62685	1.3
57.03442	7.1
59.01376	37.4
59.93621	1.3
61.98813	1.5
65.44094	1.4
69.03429	1.3
71.01378	78.5
72.01716	1.8
72.99301	5.8
73.02940	4.0
75.00867	37.0
76.07353	1.2
83.01379	4.9
85.02943	11.0
87.00871	16.6
89.02431	6.8
89.03938	2.0
97.02949	2.1
98.19729	2.3
99.00878	12.9
101.02444	8.2
111.00866	2.6
113.02454	4.0
117.03444	5.9
121.02951	1.7
129.01933	27.4
131.03503	5.0
133.02846	1.6
134.03728	74.4
135.04083	1.7
136.05196	1.8
137.02477	1.8
141.01942	1.3
147.04564	1.9
148.23074	1.4
149.02414	2.2
149.06094	10.1
159.02968	14.3
160.01663	4.5
161.02333	2.2
164.04774	2.7
173.56555	1.4
175.04019	4.9
176.04716	4.4
177.04019	81.0
178.02654	3.0
178.04352	3.1
191.07175	4.1
193.05029	53.2
194.05409	4.5
195.05084	75.8
215.24940	1.4
223.06081	4.6
235.06065	10.5
295.08136	2.6
304.38788	1.4
309.82562	1.6
335.07681	2.2
358.67181	1.4
371.09775	100.0
372.10110	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	371.098
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01886	4.6
57.03453	1.0
58.51684	0.9
59.01376	4.6
61.98824	1.1
64.76920	1.0
69.18430	2.0
69.18833	8.7
71.01377	7.4
72.00033	0.9
72.05756	0.9
72.99310	2.1
73.02938	5.9
81.03450	1.1
83.01382	88.4
84.01735	1.9
85.02940	9.0
87.00869	74.4
88.01187	1.3
89.02473	0.9
93.03442	5.7
99.00856	1.7
101.02435	4.4
108.02175	1.5
109.02952	3.5
113.02425	3.4
117.60915	1.0
121.02950	23.6
123.00875	3.9
123.04523	1.8
127.03940	1.5
129.01932	2.0
131.03491	1.0
133.02907	1.2
134.03731	6.2
135.04532	9.5
136.01675	11.5
136.05278	28.6
137.02380	1.4
138.03207	2.1
146.03726	5.0
147.04562	2.3
148.05400	1.2
149.06070	10.5
151.04001	16.0
152.04330	1.4
161.06090	3.1
162.03233	1.9
163.03999	4.9
164.04770	6.1
168.04269	10.7
172.05278	1.6
173.04517	2.5
174.03169	2.1
175.03981	1.5
176.04816	1.0
177.05559	2.2
179.07117	8.8
188.04776	1.0
191.05589	34.7
191.06911	1.5
192.04279	1.1
192.05920	2.0
193.04999	2.5
197.04594	1.3
204.04192	1.4
207.06563	3.3
216.04320	2.0
219.06572	4.7
231.06580	1.6
235.06076	21.2
235.09753	4.4
236.06400	1.8
247.25421	1.0
248.34602	1.1
253.03996	1.1
295.08203	4.5
295.13455	1.1
301.89291	1.0
327.10843	1.0
353.08734	1.9
356.12625	10.4
357.12973	1.7
371.09763	100.0
371.14899	38.2
372.10117	12.4
372.15262	5.9
391.18561	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06053	1.4
55.01869	7.8
59.01386	6.6
69.03452	73.0
69.20475	9.3
69.20879	3.2
70.03799	1.3
71.01390	4.6
72.99316	2.0
77.24346	1.2
79.01895	5.2
80.62072	1.5
83.01382	100.0
93.03455	1.7
95.01414	1.9
97.02945	11.6
98.19840	2.8
99.00888	18.8
101.02464	1.3
108.57218	1.3
121.02940	29.3
121.03732	1.8
122.03186	1.4
123.00906	4.6
136.05292	34.4
137.05910	1.5
138.03275	2.7
141.01947	8.1
168.04274	13.6
185.00908	40.2
185.11827	2.0
205.05151	1.5
235.09863	5.0
356.12558	10.1
371.14929	46.1
372.15280	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	371.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84288	0.5
55.01870	6.0
59.01375	7.0
67.01883	0.7
69.03452	100.0
69.47832	4.1
70.03785	2.5
71.01375	3.3
72.99313	2.1
73.02944	0.8
74.24673	0.5
79.01888	6.6
83.01385	33.8
84.01709	1.0
85.02940	1.7
89.02467	0.8
95.01388	2.8
97.02943	17.2
99.00874	26.6
101.02441	1.8
103.99039	0.6
113.02443	1.0
121.02939	8.2
123.00876	2.0
136.05287	11.4
141.01930	12.5
168.04233	3.7
185.00899	59.8
185.11798	2.1
186.01234	2.6
235.09709	2.4
296.05151	0.6
353.61716	0.5
356.12549	3.5
371.13873	24.4
372.14334	2.4
375.17496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81289	0.5
55.01876	4.1
55.86160	0.5
59.01375	100.0
60.01706	1.0
61.98817	0.6
62.07172	0.5
67.01859	0.6
69.03447	15.0
71.01379	4.2
71.83260	0.5
79.01884	6.8
80.06200	0.6
83.01381	93.6
84.01722	2.0
85.02926	1.1
85.45676	0.5
85.48648	0.5
87.00846	0.5
89.02432	0.7
93.03467	1.1
95.01395	3.6
97.02944	29.7
98.03299	1.0
98.20699	0.9
99.00882	1.5
101.02432	0.8
113.02416	0.8
115.00400	0.6
121.02950	25.9
122.03274	1.0
123.00888	5.8
136.01697	0.9
136.05293	30.2
137.05939	1.6
138.03244	2.0
139.11304	1.0
141.01926	49.3
142.02283	1.9
142.73914	0.5
147.04471	1.0
161.06096	0.8
165.09224	1.0
168.04260	11.3
185.00891	8.3
185.11804	36.1
186.01222	0.6
186.12184	2.6
191.05650	0.6
203.01941	0.7
220.95525	0.6
222.43222	0.6
229.06371	0.6
235.09726	5.2
236.10141	1.0
333.15613	0.6
356.12564	7.9
357.12946	0.7
371.14795	47.6
372.15161	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	371.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.1
70.95380	0.5
71.01357	1.2
83.01381	100.0
84.01702	2.6
91.00043	0.5
93.03451	1.5
98.79790	0.5
111.23237	0.5
121.02946	22.1
123.00893	2.7
136.05287	24.9
137.06036	1.0
138.03203	1.1
147.04498	0.7
161.06198	0.6
168.04247	9.4
168.88254	0.6
172.62733	0.5
196.52211	0.6
209.08099	1.4
229.12567	0.6
235.09752	7.5
268.07156	0.6
295.13254	1.2
356.12604	10.9
357.13028	1.3
371.14954	70.5
372.15295	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10304	0.4
51.45075	0.4
55.01877	5.6
55.54061	0.5
59.82274	0.4
71.01370	0.9
71.43807	0.6
75.75152	0.4
83.01383	100.0
84.01719	2.6
93.03456	1.6
95.16271	0.4
121.02949	31.8
122.03307	0.7
123.00885	3.1
136.05290	34.7
137.05676	0.9
138.03204	1.7
147.04514	1.3
161.06050	1.1
168.04277	9.4
169.04639	0.8
209.08121	0.7
235.09726	6.3
236.10088	0.5
239.28214	0.4
244.15680	0.4
295.13629	0.5
356.12613	8.0
357.12949	1.4
371.14954	48.1
372.15305	8.7
372.20001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
55.16736	0.7
57.03445	4.0
58.27230	0.7
59.01376	100.0
60.01717	1.4
65.90144	0.7
71.01373	12.3
71.05007	1.0
71.12876	0.7
71.53611	0.8
73.02927	3.6
83.01382	48.1
84.01704	1.5
85.02950	3.8
87.00860	0.7
89.02453	2.4
93.03463	1.6
95.01385	0.9
97.02965	0.9
99.00849	0.8
101.02432	4.5
101.03015	0.7
108.02112	0.7
109.06575	9.7
113.02442	4.1
121.02944	17.0
121.03761	1.2
123.00894	1.8
136.01642	1.0
136.05295	13.7
136.06261	1.2
137.09743	2.0
138.03244	0.8
139.11331	1.2
147.04585	0.9
151.03981	1.3
151.89615	0.7
161.04572	6.5
161.05821	1.2
167.10764	48.9
168.04285	6.9
168.11143	3.4
209.15501	5.2
235.09822	2.8
255.60060	0.7
267.06738	0.9
327.12320	0.9
341.10205	1.0
349.52753	0.7
356.12585	8.2
357.13226	1.5
371.10504	1.4
371.15009	25.3
372.15298	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.3
58.00581	1.5
58.86643	0.7
59.01377	100.0
60.01718	1.1
69.03423	1.0
69.28064	6.2
71.01382	23.7
73.02944	34.1
83.01379	24.8
83.65464	0.7
85.02948	4.1
87.00864	0.8
89.02427	8.6
101.02439	28.8
113.02447	10.2
115.99698	0.7
119.03481	3.0
121.02955	4.0
123.00848	0.8
125.02466	1.2
131.03477	2.6
136.05289	5.6
149.04533	1.0
149.09706	14.3
150.10042	1.0
155.03458	1.1
161.04512	3.1
161.05728	0.7
166.39441	0.7
168.04277	2.0
235.09685	1.1
341.10358	2.2
356.12619	2.6
369.64099	0.8
371.14905	10.3
372.15186	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	11.6
61.98822	13.0
65.03938	1.2
65.85761	1.3
69.39819	9.5
71.01373	9.0
72.99274	1.9
79.39296	1.4
83.01375	12.8
84.01701	1.9
85.02934	2.7
87.00874	4.5
89.02430	3.8
95.01328	1.4
95.04991	1.4
98.19971	2.8
99.00864	13.4
101.02422	3.1
107.05050	1.7
109.02937	11.2
113.02441	2.5
115.00372	18.3
120.13947	1.4
121.02984	1.8
121.06551	5.2
123.00925	1.6
123.04520	1.7
127.00335	1.7
133.02910	5.5
135.04503	7.4
136.05272	2.0
139.00336	1.6
139.04010	3.0
145.02904	4.4
147.04564	7.5
148.05249	4.2
149.06065	84.0
150.06427	4.2
159.03004	3.0
159.04445	2.7
161.02420	27.3
161.06013	2.4
163.03984	3.7
165.05498	5.7
175.02444	11.2
175.03961	12.4
177.01920	23.2
177.05574	2.0
178.02243	2.4
179.03491	2.8
183.03069	1.4
185.05963	1.4
187.04008	1.9
189.05513	3.8
191.03450	3.0
193.05038	18.6
193.08708	1.8
203.03526	1.8
205.04950	2.7
206.02109	4.7
211.09676	1.7
219.00896	2.0
219.02972	30.7
220.03401	1.7
233.04489	22.5
234.04774	1.6
237.04007	48.0
238.04358	3.1
249.07558	2.6
263.05664	1.2
275.05588	3.1
277.03485	32.0
278.03815	3.5
293.06622	12.5
294.06992	1.5
319.04535	11.7
329.12415	1.8
333.19565	1.3
337.05612	100.0
338.05951	10.3
355.06430	1.5
373.03281	18.5
373.11401	3.9
373.15521	2.7
374.03699	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39389	3.4
59.01383	30.5
61.98817	8.7
71.01379	19.2
71.50962	2.8
72.99308	14.7
73.02940	26.5
73.42846	2.9
75.00868	8.4
83.01368	12.7
85.02941	11.3
87.00865	18.7
89.02421	4.9
95.01328	3.2
99.00864	15.5
101.02434	21.4
105.04636	3.3
108.02171	35.0
111.00888	23.0
113.02437	13.1
113.82565	3.6
119.03519	4.0
123.04501	11.4
129.01955	30.4
141.01933	9.9
147.04465	4.4
149.06033	7.4
150.03163	3.3
151.04019	10.1
153.05566	22.2
159.01707	6.2
159.02975	100.0
211.06009	3.7
241.91939	3.1
251.46652	2.7
264.64307	3.4
321.79764	3.6
373.11261	31.6
373.15381	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	373.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55158	0.9
59.01377	50.1
64.91174	1.0
67.01884	1.1
69.03448	0.9
69.33490	8.0
71.01379	4.7
73.02939	1.4
74.03106	1.0
81.82004	1.0
83.01358	1.8
85.02924	1.8
93.03451	1.3
95.01388	2.7
101.02439	3.0
104.21782	1.1
107.01389	1.3
108.02152	6.6
109.02956	13.3
111.00844	2.8
116.25101	1.0
121.02914	3.3
122.03727	2.4
123.00885	12.3
123.04521	5.1
124.01683	7.1
133.02965	1.2
134.03737	11.6
136.00703	1.5
136.01645	10.6
137.02464	7.6
137.70934	1.0
145.02960	3.4
146.03699	6.2
147.04517	16.0
148.01659	12.1
148.05269	1.2
149.02397	3.4
149.06055	4.6
150.03238	2.6
151.04007	12.4
153.05565	3.8
159.04535	4.0
160.01642	1.1
160.05437	0.9
161.02437	7.4
161.06047	3.8
162.03239	7.0
162.06947	1.1
163.04010	10.2
164.04761	3.5
165.05423	1.3
166.02676	1.6
173.02411	3.7
173.06073	1.1
174.03168	5.7
175.03943	4.9
177.01938	2.0
177.05542	4.2
178.02667	1.6
179.07092	6.4
180.04230	1.9
181.05058	6.7
186.03088	1.2
187.04079	1.8
187.13438	1.2
188.04759	12.7
189.05415	2.1
192.04378	1.1
193.05020	2.7
195.87921	1.2
202.33437	1.0
205.05074	2.8
207.06586	2.2
219.06601	1.2
254.05809	8.1
255.06711	2.4
269.08191	12.5
270.08826	3.5
278.05768	1.3
281.08252	1.4
283.06137	1.7
283.09402	1.0
284.10498	1.6
295.06119	2.7
298.08420	26.7
299.08862	3.4
309.07974	1.2
310.08603	5.3
313.10803	64.9
314.11111	6.7
325.10785	5.9
328.09433	3.0
329.09918	1.0
343.08145	1.4
343.11835	40.2
344.12137	3.9
358.10483	6.7
373.12875	100.0
374.13159	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	373.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37529	0.9
55.01866	1.5
57.03448	5.4
58.99392	1.0
59.01379	5.1
59.40320	1.0
67.01888	1.5
69.60851	6.6
71.01377	1.6
73.02907	1.0
74.69759	1.2
79.36282	0.9
81.03448	1.2
83.01392	3.8
83.21878	0.9
84.02173	5.8
85.02461	1.4
85.02946	19.6
88.00431	1.0
93.03444	8.1
95.01385	2.3
97.02965	1.1
101.02436	1.7
107.01379	1.1
108.02171	21.1
109.02951	21.7
111.00841	3.5
119.05025	1.2
121.02949	75.9
122.03786	10.8
123.00881	15.8
123.04530	14.2
124.01678	12.0
134.03740	1.8
135.04532	11.2
136.01653	7.0
136.05263	3.7
137.02449	6.7
137.06071	7.8
138.03183	3.7
139.04001	1.2
142.54868	1.0
145.02933	2.2
146.03706	1.5
147.04512	16.1
149.06039	3.7
150.03229	1.2
151.04001	10.1
152.01170	1.4
153.01897	1.3
159.04453	4.6
160.05231	2.3
161.02429	3.1
161.06087	8.1
161.10368	1.1
162.03230	5.7
162.06784	1.6
163.03995	54.0
163.07594	2.9
164.04779	6.0
165.05440	1.4
171.04521	1.0
172.05228	1.6
173.02415	3.0
173.06013	4.1
174.03152	3.5
175.04012	2.9
175.07608	1.1
176.04587	1.4
177.05571	10.0
179.03485	2.0
179.07120	17.8
179.17285	1.0
187.03934	3.9
188.04781	13.7
189.05501	4.4
193.05032	2.0
193.08768	4.9
203.03485	1.1
203.07120	5.4
204.04216	1.6
207.06566	11.4
221.08171	1.6
235.09714	1.5
237.11296	28.0
237.13701	1.4
238.11649	2.2
283.06018	1.7
295.06174	2.1
295.09406	1.2
297.07751	1.5
298.08469	19.2
299.08813	2.7
299.12527	1.5
310.08679	2.9
313.07507	3.6
313.10776	60.0
314.11160	6.8
325.10754	3.5
329.13629	1.3
340.13058	7.4
343.08121	1.8
343.11804	19.4
344.12195	2.4
355.11697	3.2
355.15527	20.7
356.15759	2.5
358.10333	8.4
358.14240	40.7
359.10614	1.8
359.14374	4.9
373.12692	74.1
373.16562	100.0
374.13000	9.3
374.16898	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	373.1652
Annotation	Hexahydrocurcumin
Peak:m/z	Relative Intensity
57.03446	8.6
59.01366	4.4
69.19979	9.8
83.01389	4.9
84.02153	4.3
85.02943	22.4
93.03470	7.8
101.02464	1.0
106.08904	1.1
108.02177	16.1
109.02931	9.2
109.62608	0.9
112.39864	0.9
115.07142	0.9
121.02950	83.7
122.03823	8.6
123.00896	0.9
123.04539	12.2
124.01645	1.3
134.03754	1.1
134.99466	1.0
135.04515	8.2
136.01633	1.7
136.05269	4.8
137.02414	1.9
137.06152	5.8
147.04550	2.0
149.06061	3.1
154.02705	1.3
159.04477	2.1
161.06062	9.6
163.04004	38.5
163.07706	1.5
164.04738	5.1
165.05557	1.3
176.04732	1.2
176.07602	1.1
177.05554	4.2
178.06314	1.2
178.65097	1.0
179.07086	11.5
181.04999	1.0
189.05475	1.1
193.08589	2.2
193.12173	1.0
203.07124	1.3
207.06662	8.3
235.09653	1.4
237.11287	35.8
238.11584	2.5
273.64679	1.0
299.13040	2.1
303.59680	1.0
313.10669	1.8
340.13068	4.0
355.15475	15.4
356.15692	1.8
358.14178	42.9
359.14606	4.9
373.16537	100.0
374.12524	1.8
374.16852	15.3
398.43576	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1654
Annotation	Hexahydrocurcumin
Peak:m/z	Relative Intensity
55.01855	1.3
57.03455	6.9
59.01378	4.5
61.98818	1.8
77.12116	1.3
81.95278	1.3
83.01379	3.4
84.02155	5.3
85.02940	19.7
89.02398	1.2
93.03455	7.5
108.02163	15.7
109.02954	18.4
112.14613	1.4
121.02943	80.7
122.03813	10.8
123.00860	10.8
123.04532	11.2
124.01648	4.9
131.02498	1.4
134.03708	1.4
135.04507	11.1
136.01653	6.4
136.05280	4.2
136.32365	1.3
137.02405	3.8
137.06117	6.6
147.04504	6.2
147.61162	1.4
151.03989	5.5
154.02745	1.7
159.04538	5.3
161.02396	3.7
161.04881	1.8
161.06064	10.8
162.03221	4.9
162.06776	1.6
163.03999	55.3
164.04706	6.7
165.05521	1.6
173.06042	3.4
174.03212	1.8
175.03906	3.3
177.05585	7.1
179.03529	1.7
179.07127	18.7
187.04047	2.2
188.04774	6.6
193.05075	1.4
193.08702	4.2
203.07082	3.8
207.06587	8.8
207.10020	1.8
237.11307	23.6
238.11598	2.1
297.15176	1.4
298.08441	6.8
305.46082	1.4
313.10767	27.8
314.11285	2.1
329.13809	1.6
340.13098	4.6
343.08160	2.0
343.11880	8.8
355.11691	2.8
355.15497	21.2
356.15814	5.3
358.10623	2.9
358.14224	41.3
359.14450	4.1
366.90073	1.4
370.91989	1.4
373.12656	26.3
373.16537	100.0
374.12964	5.3
374.17123	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	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65876	0.3
56.61161	0.3
59.01377	100.0
60.01692	1.4
69.03454	0.3
69.33261	1.9
69.33668	0.5
71.01376	4.9
71.01733	0.4
73.02945	2.1
75.00847	0.2
83.01399	1.0
85.02966	1.9
89.02448	3.3
95.01414	0.6
98.19933	0.5
101.02433	3.0
108.04559	0.6
113.02446	2.8
119.03484	1.5
131.03545	0.3
132.04608	0.5
161.04558	0.8
179.05573	0.5
183.54747	0.3
280.51678	0.3
331.17517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1864
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
59.01376	100.0
60.01725	1.1
69.47321	3.2
69.47717	1.1
71.01379	7.1
73.02943	3.1
83.01385	1.4
85.02963	2.1
87.00858	0.5
89.02444	3.8
95.01405	0.6
98.20686	1.0
101.02428	4.5
107.03698	0.6
113.02459	3.9
119.03507	1.7
122.06114	1.7
126.36618	0.5
132.04544	3.5
133.16455	0.4
150.44754	0.4
152.07166	3.4
152.80011	0.5
161.04573	0.8
297.12552	1.0
331.17657	1.7
341.11362	4.2
373.14197	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
59.01377	100.0
60.01723	1.2
71.01379	5.8
71.53281	0.2
71.53642	0.3
72.87737	0.2
73.02940	1.9
78.68509	0.2
83.01398	1.0
85.02950	1.9
87.00882	0.3
89.02440	3.0
95.01402	0.5
95.61543	0.3
99.00897	0.7
101.02441	3.1
107.63226	0.2
113.02430	2.4
119.03519	1.3
123.33195	0.2
136.01660	0.5
143.03484	0.5
151.04031	0.6
159.02962	0.2
161.04576	2.0
179.05617	0.4
223.68639	0.2
230.21779	0.2
252.17174	0.2
254.38374	0.3
331.17545	1.7
373.13501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53606	0.4
58.86305	0.3
59.01375	64.1
60.01704	0.8
61.98828	0.7
71.50130	0.6
90.97132	1.9
106.42461	0.4
114.98830	0.5
117.99291	0.4
118.96604	1.1
132.98167	2.5
156.99921	1.1
174.99234	26.5
175.99539	0.8
201.02554	0.7
217.00272	100.0
218.00620	3.7
218.98000	0.6
228.25371	0.3
314.98898	0.8
374.99155	7.1
375.99557	0.6
381.16586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	6.7
57.17572	2.1
59.01381	24.8
65.03957	40.0
69.26382	18.8
71.01373	32.9
73.02946	2.7
79.16620	2.1
83.01386	7.4
83.58376	2.1
85.02959	6.8
87.00883	4.8
88.48268	2.0
89.02445	10.7
90.86167	1.9
93.03461	6.9
95.05025	4.6
99.00884	25.3
101.02453	8.8
108.02154	4.4
111.00871	18.5
112.98811	62.4
113.02423	3.2
119.03559	4.8
119.05041	4.7
121.06569	19.2
125.06086	19.5
129.01932	8.8
135.04565	4.1
139.04005	49.8
142.99849	23.5
148.31325	2.0
151.07655	4.0
165.05573	17.0
169.08714	4.7
173.00899	25.0
183.06612	100.0
184.06966	5.7
191.05606	2.5
213.07649	17.9
243.10500	2.4
375.12872	9.4
384.05603	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	375.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92677	1.0
58.00570	1.0
58.70189	1.1
59.01377	32.7
61.98834	1.6
65.03962	4.4
69.45621	5.7
69.46022	1.7
71.01372	18.9
74.94843	1.0
74.95345	0.9
79.10328	0.9
85.02936	4.2
87.00869	9.7
89.02439	19.1
93.03456	11.0
95.01399	1.4
95.05037	2.2
101.02428	9.8
107.05032	1.4
113.02456	6.8
119.03462	4.8
119.05000	1.4
121.06589	15.2
125.06076	100.0
126.06403	3.3
151.07642	33.3
152.07951	2.1
161.04607	1.3
169.08705	17.5
179.05640	2.2
195.06551	1.9
213.07672	85.8
214.07959	5.6
226.56569	1.0
249.36012	1.2
315.10916	1.5
342.88330	1.1
375.12903	29.4
376.13248	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	375.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70652	0.7
55.35134	0.9
57.42725	0.9
70.32548	0.8
70.77558	1.8
70.77911	1.0
90.12059	0.7
95.72512	0.8
108.02163	1.8
109.02946	31.6
110.03264	1.4
121.02953	4.1
122.03735	1.6
123.00901	1.1
124.01707	1.1
136.01663	14.5
143.04935	1.0
145.02911	2.7
146.03726	3.7
147.04520	2.0
148.97310	0.8
151.03995	12.5
159.04483	2.6
160.05281	2.2
161.06056	3.3
172.05273	2.8
175.03986	5.8
176.04726	4.1
189.05586	7.0
190.06300	5.5
191.07126	3.7
211.07584	1.2
223.07639	2.0
237.05588	1.0
238.06252	0.8
239.07086	7.5
240.07425	0.8
249.05504	1.1
250.06305	2.6
251.07076	4.2
255.49918	0.9
261.05414	1.7
262.06223	1.1
266.05759	3.1
267.06592	44.4
268.06937	5.2
278.05600	1.9
279.06598	7.5
280.07193	1.0
282.08948	46.6
283.09381	4.7
293.08279	0.9
294.08975	3.2
297.11276	100.0
298.11624	12.0
309.11166	1.9
311.09158	0.9
312.09921	10.4
313.10284	2.2
315.12350	1.9
320.77261	0.9
327.12332	46.4
328.12686	5.7
345.13425	11.7
346.13541	1.6
375.14532	2.9
381.81555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15725	0.7
59.01365	2.2
61.01772	0.8
69.09600	0.7
69.15305	5.6
69.15719	2.3
71.01406	0.7
74.92599	0.7
83.05444	0.7
93.03447	0.7
98.19849	1.7
102.88763	0.8
109.02230	1.3
109.02949	18.3
109.32735	0.7
119.05024	1.0
121.02924	2.5
122.03741	2.0
123.00906	1.2
124.41505	0.8
136.01654	13.6
137.02367	0.6
145.02969	1.9
146.03729	4.1
147.04503	2.5
149.02437	2.3
150.03238	6.4
151.04005	10.3
152.04245	1.0
158.03748	1.0
159.04486	2.2
160.05231	2.0
161.06056	4.1
162.06638	1.0
165.05556	6.9
171.04506	1.1
172.03969	0.8
172.05243	4.0
174.03241	0.7
175.03964	7.7
176.04758	6.3
179.07127	1.1
187.04005	1.1
188.04750	1.0
189.05580	10.8
190.06358	7.2
191.07117	6.6
195.06648	3.6
197.06250	0.7
223.07672	1.9
233.05872	1.0
239.06952	1.3
250.06383	1.2
251.07132	4.7
261.05603	1.6
262.06165	1.0
266.05771	1.8
266.09375	0.9
267.06598	10.1
268.07101	1.2
278.05667	1.4
279.06540	15.4
280.06909	1.3
282.08966	6.0
283.09241	0.7
293.08142	2.0
294.08951	6.4
295.09406	0.9
297.07635	4.8
297.11264	11.9
298.07941	1.1
309.11227	1.3
312.10007	18.0
313.10272	2.0
315.12344	3.6
316.12378	0.8
327.12341	100.0
328.12656	10.9
345.13315	2.0
357.13678	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55448	1.1
55.01870	3.3
55.37597	0.9
57.03439	3.8
58.00586	2.7
58.00860	1.1
59.01375	66.4
61.98824	3.1
67.01907	1.3
69.40727	6.5
69.41135	2.1
71.01374	38.6
72.99297	3.2
73.02943	9.3
83.01372	6.5
85.02953	16.7
87.00854	3.8
89.02435	30.8
93.03452	2.1
95.01376	3.1
98.19900	2.1
98.43444	1.0
99.00871	2.8
101.02428	33.2
109.02943	1.3
111.00884	1.7
113.02425	17.7
116.37227	1.0
119.03497	16.3
121.03007	1.2
125.06059	1.9
135.04517	1.4
136.01602	1.4
143.03500	2.1
149.04507	1.3
150.03238	3.2
151.04001	1.5
151.07666	1.2
153.09259	1.8
161.02495	1.3
161.04547	7.6
162.03131	1.1
165.05562	3.3
173.04372	1.3
177.09216	7.4
179.05603	7.1
179.06985	1.4
189.05490	1.2
190.06183	1.0
195.06743	1.4
195.10298	1.6
212.08266	6.4
230.84688	1.1
238.22630	1.0
241.07260	2.6
255.08821	29.8
256.09225	2.2
287.10532	1.3
297.11398	1.4
327.12454	6.9
334.55966	1.1
357.15549	20.9
358.15970	1.8
375.16580	100.0
376.16849	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	375.181
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
53.04246	0.3
54.75521	0.3
57.03455	0.4
58.00612	0.5
59.01373	15.1
69.19051	2.6
69.19441	0.7
69.77234	0.3
71.01375	7.3
72.15403	0.3
72.99319	0.5
73.02982	0.6
83.01406	0.6
85.02937	2.6
88.36492	0.3
89.02434	6.7
89.02934	0.5
93.03452	11.9
95.01412	0.9
97.27280	0.3
98.19857	0.6
101.02424	4.3
101.03011	0.4
105.03449	0.5
108.02187	0.3
109.02937	10.4
110.03269	0.7
113.02453	2.4
119.03508	1.8
119.05020	0.9
121.02942	100.0
122.03873	5.1
123.04523	3.1
124.01664	0.6
129.03455	2.2
130.76556	0.3
134.03748	0.4
135.04530	2.0
136.05296	0.6
137.02464	1.1
146.03687	1.2
147.04504	13.6
148.04958	0.6
149.06071	1.1
150.03166	0.8
154.02661	1.1
159.04477	0.4
160.05276	0.8
161.04762	0.5
161.06044	3.6
163.03949	0.5
164.04726	1.2
165.05548	50.2
166.05867	2.7
178.06270	1.3
179.07106	17.5
180.07436	0.8
183.13809	0.4
195.13850	2.9
209.08081	0.4
213.14897	2.3
237.11073	0.9
238.99519	0.3
297.11038	0.4
299.12527	0.5
312.13672	1.8
327.15726	0.9
329.13882	5.5
330.14240	1.1
345.17026	0.3
359.14594	0.6
360.15720	28.0
361.16043	3.2
375.17755	85.2
376.18134	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	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50866	1.3
59.01370	1.4
61.98800	3.0
69.35757	3.1
69.36163	6.8
73.38653	1.4
74.99070	2.9
98.19859	1.3
104.90649	1.2
105.22513	1.2
108.74115	1.2
110.30732	1.2
137.26147	1.2
159.08459	10.5
161.06351	2.6
209.01149	2.8
277.07391	3.7
289.07462	2.2
291.09067	95.8
292.09180	13.2
345.07285	1.3
357.13583	3.0
359.15317	100.0
360.15482	21.3
375.18454	10.6
376.18747	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	375.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.5
67.76454	0.4
69.53486	2.7
74.99052	2.2
93.00133	0.6
99.28471	0.4
143.05304	0.5
149.00987	0.6
159.08450	11.2
160.08455	0.5
161.06361	2.4
189.76366	0.4
192.98096	0.5
195.75783	0.4
209.01228	2.1
217.07173	1.0
275.06033	1.0
277.07629	1.9
289.07538	2.0
291.09067	99.6
292.09186	14.0
309.10120	1.1
344.17447	0.4
357.13760	2.0
359.15305	100.0
360.15482	18.8
375.18393	9.3
376.18552	2.3
377.16382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
56.33916	0.3
57.03440	0.4
59.01376	100.0
60.01707	1.5
69.18566	1.0
69.18986	1.9
69.42133	0.3
71.01382	3.9
71.72358	0.2
73.02947	1.8
81.09283	0.3
83.01396	0.9
85.02948	3.3
89.02453	0.9
95.01377	0.3
95.38445	0.3
99.00902	0.9
101.02438	3.7
108.57952	0.4
109.46481	0.3
113.02455	2.4
121.02995	0.6
131.10204	0.3
135.04550	0.6
136.01697	0.4
143.03520	0.3
151.04079	0.3
159.03073	0.4
161.02484	0.7
161.04599	2.0
171.13962	0.4
179.03529	0.6
195.10336	0.6
230.56924	0.3
239.07469	0.3
248.60559	0.3
333.19128	4.1
334.19659	0.4
359.12515	1.1
359.62857	0.5
375.20245	0.3
391.84311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95514	0.3
55.01876	0.5
59.01376	100.0
60.01716	1.0
62.28839	0.4
64.65604	0.3
69.43117	2.5
71.01385	5.0
73.02950	1.4
73.68403	0.3
74.43045	0.3
83.01399	1.2
85.02946	2.9
87.00883	0.3
89.02451	0.6
99.00848	0.5
101.02435	3.6
102.42178	0.3
110.64144	0.3
113.02444	2.4
143.03546	0.4
143.24997	0.3
159.03096	0.4
161.04524	2.5
171.13943	0.9
182.95509	0.4
268.20889	0.3
315.18335	0.6
333.19110	5.5
333.22791	0.4
343.97214	0.3
360.13400	0.4
375.15091	0.4
375.20203	0.8
375.27588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
59.01378	42.3
61.02882	1.1
66.18260	1.1
69.13982	1.3
69.14216	2.1
69.14619	8.9
71.01379	22.1
72.99303	2.1
73.02959	1.5
83.01348	1.7
85.02947	6.5
89.02435	20.1
93.03465	8.1
93.03942	1.2
95.01380	2.4
98.84489	1.2
101.02430	12.6
109.02940	11.1
113.02432	7.7
119.03493	5.9
119.05001	1.5
121.02949	100.0
122.03856	6.0
123.04534	3.0
129.03450	2.2
135.04459	1.7
139.69009	1.1
147.04523	12.8
161.06079	4.1
165.05553	38.4
166.05873	1.9
178.06323	1.8
179.07112	14.7
183.57619	1.2
195.13889	8.4
213.14966	2.9
312.13535	1.6
329.13885	4.5
360.15704	24.4
361.16022	3.2
375.19843	79.2
376.20282	11.2
379.72369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01375	100.0
59.96031	0.4
60.01711	0.9
70.27792	0.8
70.28188	1.1
71.01376	4.0
73.02946	2.3
83.01402	1.1
85.02940	2.1
89.02444	1.1
99.00903	0.6
100.14188	0.4
100.48812	0.4
101.02441	3.3
111.00882	0.5
113.02451	1.8
119.03528	0.4
131.03528	0.4
135.04533	0.9
161.02518	1.0
161.04581	1.2
173.75351	0.4
179.03426	0.4
202.83994	0.4
206.02422	0.4
266.61615	0.4
315.17984	0.6
333.19131	3.7
344.60849	0.6
353.59723	0.4
354.95883	0.4
359.12662	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03482	0.6
59.01375	100.0
60.01722	0.8
60.47732	0.6
61.98813	0.7
67.51257	0.6
69.44367	4.1
71.01358	3.5
73.02937	1.0
85.02960	1.9
89.02444	1.1
101.02443	2.9
109.02967	0.7
119.74153	0.6
121.02917	3.7
161.04590	2.7
161.90170	0.6
165.05635	1.0
269.82300	0.6
284.12518	0.7
315.18140	0.9
341.34143	0.6
360.15866	0.9
366.38638	0.6
375.14090	0.7
375.18033	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	375.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01709	1.2
70.45496	0.4
71.01365	2.1
73.02952	0.7
74.14792	0.4
74.30118	0.4
83.01409	0.5
85.02962	1.7
89.02435	0.4
101.02444	2.3
106.54162	0.3
113.02473	1.4
121.02963	1.3
126.71822	0.4
135.04556	0.5
161.04536	2.5
181.91617	0.5
189.64008	0.4
205.30098	0.4
238.11774	0.4
243.13919	0.7
315.18280	1.2
375.17584	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.1
61.28916	1.6
61.98830	3.6
69.37465	9.2
69.37883	3.1
69.87109	1.6
71.01381	1.6
93.03454	1.6
95.05024	36.7
95.05629	2.6
98.19948	3.7
99.92543	2.6
121.02926	2.5
143.00116	1.4
150.03032	1.5
195.13863	10.6
223.13414	6.2
228.13713	2.6
246.12349	11.8
275.19983	4.9
278.11325	82.7
279.11703	7.0
293.21216	100.0
294.21506	11.3
315.19391	25.0
316.19684	3.6
338.12186	4.5
375.17523	2.2
375.21570	5.6
390.69061	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	376.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73768	0.5
58.19975	0.5
58.48183	0.5
59.01376	8.1
60.01724	0.6
61.98825	100.0
65.03994	0.5
69.03481	0.5
69.36224	3.0
69.36630	0.9
71.01386	3.5
85.02982	0.7
87.00908	0.7
89.02438	4.6
90.05956	0.5
94.02847	0.5
101.02439	2.5
108.02202	0.7
113.02467	2.1
119.03531	1.7
119.05047	0.7
120.61824	0.5
121.03032	0.8
122.06960	0.6
125.06110	2.0
126.06418	1.1
135.02983	0.8
135.04504	5.7
137.43016	0.5
149.93605	0.6
159.03021	0.9
161.04602	0.7
165.05518	1.2
166.05957	1.7
179.05663	0.5
195.06689	0.7
213.07726	1.0
214.08058	1.6
273.33713	0.5
317.12552	0.9
328.11029	0.6
341.09296	0.5
376.13477	1.1
377.09048	2.9
377.14417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25191	0.3
59.01375	100.0
60.01710	8.6
61.01796	0.8
64.74934	0.3
69.66912	0.8
69.67314	1.4
71.01382	5.0
71.90321	0.4
72.01721	0.6
73.02946	1.7
78.05529	0.4
83.01393	1.5
83.41945	0.4
85.02953	2.9
85.11386	0.3
87.00866	0.3
89.02454	1.6
95.01398	0.5
95.24239	0.3
99.00871	0.7
101.02440	4.0
102.02822	0.8
111.00870	0.4
111.24704	0.4
113.02449	2.2
115.52002	0.3
133.02945	0.5
135.04501	0.9
161.02441	1.8
161.04607	1.6
179.03577	0.5
316.18573	0.4
333.19470	0.4
334.19452	3.0
335.20706	3.7
357.62213	0.4
359.12622	1.5
359.62595	2.8
360.12741	0.7
375.63940	0.4
376.14468	2.0
376.20557	0.4
377.22000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32383	0.2
52.36284	0.3
57.39150	0.2
59.01372	2.1
61.98822	1.2
69.51532	1.6
71.01388	1.3
82.95423	0.3
85.02939	0.4
89.02436	0.8
101.02466	0.3
107.05033	0.3
109.02956	0.3
111.00899	0.5
113.02446	0.5
115.96387	0.3
117.03373	0.3
119.03490	0.3
134.03719	1.3
135.04517	100.0
136.04839	5.2
138.09911	0.3
144.38477	0.3
151.03964	1.4
161.02321	0.3
161.04578	0.6
179.03487	6.4
180.03798	0.6
216.54315	0.2
217.14584	0.3
251.05786	0.3
270.93005	0.3
297.09802	5.5
298.09973	0.4
341.08722	19.3
342.08984	2.4
377.06345	3.6
377.14398	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	49.6
61.98816	22.7
63.60453	4.2
64.86957	3.8
71.01374	28.5
71.25931	5.7
71.26272	6.3
72.33308	4.2
72.46812	4.1
73.98032	3.9
83.91726	4.3
89.02447	47.2
101.02444	16.7
113.02451	13.5
119.03514	17.6
135.04510	18.3
151.99776	4.1
161.04539	10.6
179.05630	19.0
212.62373	4.1
213.07668	4.2
215.03218	22.4
289.33121	4.1
307.32324	3.8
311.85205	4.2
317.12241	5.4
341.10931	100.0
342.11157	7.9
377.08496	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27895	2.8
53.85387	2.7
59.01360	21.0
60.30156	3.2
61.98818	14.5
69.03451	6.0
69.71464	17.0
70.88803	3.6
71.01384	10.2
72.99309	4.4
89.02424	7.5
93.03477	18.2
95.05028	7.6
97.06591	10.3
98.20633	6.1
101.02452	6.5
107.05027	8.3
109.06582	5.9
119.03521	3.8
123.04524	4.0
125.06067	48.8
126.06398	3.8
135.02966	5.5
135.04514	86.6
151.04047	4.2
153.05566	100.0
159.33682	3.1
179.03462	11.7
197.04520	38.3
201.21338	3.5
214.07767	3.7
215.05629	18.1
242.78418	3.3
295.08133	3.2
301.25894	3.7
317.12436	5.2
341.08664	18.1
377.10648	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	377.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58474	0.1
70.26160	0.3
70.26532	0.6
79.95749	1.6
96.96006	100.0
97.95918	0.3
112.18110	0.2
157.93639	0.2
257.04871	0.2
268.99469	0.2
377.19986	38.6
378.20349	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	377.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00237	0.4
55.01872	0.6
55.42175	0.4
59.01375	100.0
60.01701	1.1
61.04815	0.4
71.01390	3.0
73.02940	1.3
78.22874	0.4
80.00807	0.4
83.01383	0.9
85.02934	2.3
101.02442	3.6
113.02480	1.0
144.08945	0.4
147.16371	0.4
161.04575	1.0
185.96265	0.4
317.19641	1.0
335.20654	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	378.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82240	0.3
54.27998	0.3
59.01377	3.6
61.98827	100.0
62.29008	0.3
70.85537	0.8
71.01366	1.6
81.12665	0.3
85.02959	0.6
89.02460	1.0
101.02434	0.7
103.54041	0.3
113.02448	0.6
119.03483	0.8
125.06105	0.5
135.03001	0.8
135.04520	2.7
136.04865	0.5
153.05573	0.9
161.04559	0.5
199.07761	0.4
220.73918	0.3
221.15135	0.3
319.13925	1.9
342.08948	0.4
353.86502	0.4
379.16531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18702	0.3
59.01373	1.4
61.98827	100.0
68.09780	0.4
71.01367	0.6
71.42774	0.5
78.55850	0.4
89.02441	0.7
105.62554	0.3
132.10608	0.4
148.77844	0.4
161.04517	0.5
248.76079	0.4
300.53189	0.4
319.14020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85433	0.3
59.01370	1.3
61.98828	100.0
65.70576	0.4
69.13891	3.3
71.01399	0.5
77.22548	0.3
79.63450	0.3
81.80196	0.3
87.87054	0.3
89.02430	0.4
99.92546	0.4
101.11330	0.3
128.52477	0.3
149.25871	0.4
153.64566	0.3
181.01517	0.3
239.71872	0.4
263.23215	0.4
293.21326	0.8
305.20862	0.4
319.13876	0.5
341.09631	0.8
351.47745	0.4
378.18936	4.6
379.19458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.1
57.03440	1.7
59.01384	8.9
61.98829	1.3
63.15001	0.5
67.01904	1.2
69.03452	100.0
70.03793	1.7
71.01360	2.9
72.99299	2.2
77.87631	0.5
79.01884	4.4
83.05053	0.5
83.62113	0.5
85.02966	2.4
91.04021	0.6
93.32879	0.5
95.01377	3.3
97.02944	17.8
97.39782	0.5
98.03314	0.9
99.00874	26.8
99.04533	1.6
100.01207	0.9
101.02432	1.3
102.68362	0.5
113.02450	1.2
123.00883	2.0
125.02422	0.7
134.03754	5.1
135.04515	0.8
141.01924	8.8
159.03052	0.6
168.70979	0.6
168.97511	0.6
169.81754	0.5
178.02710	0.9
181.32271	0.6
185.00896	49.8
186.01227	1.5
193.05005	4.6
194.24779	0.6
201.11357	1.7
203.02010	1.1
209.11832	3.6
235.11763	0.9
319.13992	1.0
337.18814	0.6
378.62061	1.6
379.06503	4.4
380.07050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03443	1.3
58.00584	3.5
59.01376	100.0
67.03906	1.0
69.47112	3.0
69.47521	5.1
71.01378	52.7
72.01709	1.8
72.99292	3.7
73.02938	3.2
83.01392	2.2
85.02959	10.2
87.00871	2.8
89.02441	75.3
95.01383	2.8
98.19959	2.5
101.02445	27.1
113.02438	21.2
119.03490	26.6
120.03746	1.2
131.03471	3.6
135.04512	15.5
143.03470	4.9
149.04491	2.8
161.04515	5.7
163.88931	1.3
179.05579	15.4
179.08896	1.3
191.61066	1.2
198.78917	1.1
199.09738	30.9
200.10057	2.0
200.92450	1.1
224.80028	1.2
319.14059	1.9
341.08963	3.1
379.11554	1.9
379.16071	22.8
380.16278	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	379.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98132	1.5
55.01871	2.2
57.03434	1.3
59.01376	78.4
61.98827	38.6
64.83444	1.6
65.55358	1.2
71.01011	2.5
71.01382	34.8
73.02947	9.7
83.01371	2.9
85.02934	10.0
89.02436	20.7
95.01389	2.5
99.00872	3.0
101.02431	27.6
111.04546	1.8
113.02445	15.7
119.03506	8.7
143.03517	4.0
157.08685	16.0
159.02986	4.0
161.03264	2.9
161.04541	37.9
179.05592	4.4
187.48128	1.4
245.46324	1.6
249.33600	1.6
319.13937	100.0
320.14359	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	379.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.7
58.44350	0.5
59.01377	100.0
59.48685	0.4
60.01722	1.0
60.75170	0.6
61.98839	0.8
71.01374	1.7
78.88236	0.4
89.02433	1.0
93.31605	0.5
99.00912	0.5
100.46243	0.5
101.02467	1.4
105.16415	0.5
113.02485	0.7
134.03778	1.7
148.05339	1.5
149.06134	1.0
155.84180	0.5
157.07719	0.8
161.04611	2.0
175.04033	0.9
190.05045	0.6
229.06316	1.8
319.13962	3.0
335.14029	0.7
379.13312	0.9
379.18552	0.6
388.75848	0.7
394.52844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
69.03654	0.2
71.34122	0.4
71.39116	0.2
79.95724	2.1
83.75798	0.2
84.00487	0.2
85.78891	0.2
96.96001	100.0
97.95947	0.4
112.27170	0.2
133.21698	0.2
172.64078	0.2
318.44424	0.2
379.21536	45.7
380.21884	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	380.1557
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
59.01375	18.9
61.98828	3.3
69.76732	2.1
69.77146	1.0
71.01376	32.0
71.05015	5.9
71.58564	0.6
72.01717	0.6
72.99305	0.7
73.02939	1.2
83.01376	1.3
85.02942	3.8
86.04483	0.5
87.00887	0.9
88.04049	5.1
89.02434	8.4
95.01405	0.5
98.20609	0.6
99.00862	0.7
99.04522	2.4
101.02435	8.8
107.08711	0.6
113.02441	4.7
116.07159	1.5
119.03484	2.8
123.04517	1.6
128.07158	1.9
131.03490	0.7
136.04822	0.6
146.08217	57.2
147.08551	2.2
150.03224	2.3
151.03984	6.3
159.02924	0.7
161.04506	1.4
195.42023	0.5
200.09230	0.9
218.10098	0.6
219.12347	0.8
251.37996	0.5
263.11380	0.8
267.70609	0.5
308.13516	7.0
313.09274	4.6
321.15585	1.0
362.14584	0.8
380.15567	100.0
381.15884	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	380.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01699	1.2
61.98819	3.9
71.51799	1.7
183.38091	1.2
190.63690	1.0
398.41245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
59.01377	100.0
60.01719	1.1
60.78579	0.6
61.98824	16.7
63.99245	0.9
71.01377	11.0
71.12990	0.8
73.02946	2.8
80.74229	0.5
83.01404	1.2
85.02946	3.7
89.02440	4.4
95.01371	0.9
99.00880	1.4
101.02440	9.2
108.86369	0.5
113.02457	5.3
119.03533	2.2
134.57339	0.5
143.03577	0.8
144.93585	0.5
159.03020	1.5
159.10271	1.5
161.04549	11.6
229.26479	0.5
238.08690	0.6
305.60889	0.5
321.15512	30.8
322.15894	2.9
381.17755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1916
Annotation	Viguilenin
Peak:m/z	Relative Intensity
58.00591	0.7
59.01377	8.4
61.98819	2.4
69.03459	2.0
71.01379	3.0
71.01713	0.5
71.52105	0.7
73.02939	1.0
83.01377	0.5
83.05025	0.5
85.02942	0.7
87.00877	1.1
88.98817	0.4
89.02428	0.7
90.98674	0.4
101.02425	1.4
101.06078	0.6
113.02403	0.6
113.06089	0.8
115.04092	0.4
129.01920	0.5
135.08174	0.5
137.09724	2.7
145.02884	0.4
152.83978	0.4
161.04538	0.7
162.19141	0.4
165.05568	0.5
165.65819	0.4
191.14377	0.6
217.15964	1.0
220.75764	0.4
245.19124	1.7
246.19304	0.5
249.13391	1.4
255.17493	0.8
257.15588	0.5
257.19049	0.7
259.16724	0.6
263.20108	0.7
273.18546	1.4
275.20114	0.9
291.19553	0.7
293.08594	1.2
319.19162	1.5
321.15518	1.4
335.18512	0.8
337.20172	34.8
338.20547	5.0
381.19150	100.0
382.19455	12.9
389.13116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15495	1.2
59.01366	3.6
61.98820	3.3
66.99525	1.0
70.89905	1.3
71.52361	1.8
80.42810	1.1
88.06781	1.3
89.83041	1.2
93.50578	1.1
109.06608	1.1
142.28847	1.1
170.05833	4.2
178.47508	1.2
233.19035	1.2
235.20538	2.2
251.20088	2.5
277.18054	86.0
278.18402	9.4
279.19614	22.6
280.20041	1.7
295.19113	100.0
296.19418	11.7
297.15234	2.4
363.25385	19.1
364.25665	3.4
381.26505	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	382.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98841	0.5
58.29210	0.3
59.01371	0.9
60.30795	0.3
60.51711	0.4
61.01808	0.4
61.98827	100.0
64.99855	0.3
70.93343	0.7
70.93689	0.4
89.92509	0.4
98.26558	0.4
381.51291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85245	0.4
58.29750	0.3
59.01368	1.4
61.98825	100.0
65.37280	0.4
69.44788	3.0
73.99142	0.4
74.00237	0.4
79.27849	0.3
88.39185	0.4
91.05562	0.4
97.18658	0.3
122.52332	0.4
128.97635	0.4
129.10330	3.6
133.02963	0.5
135.04517	1.6
147.04541	1.3
150.03241	2.8
154.08667	0.6
155.78896	0.4
156.58788	0.4
161.02489	0.8
164.07166	2.9
171.11378	2.9
179.03491	1.7
196.53404	0.4
233.16570	2.2
275.17392	0.4
304.47559	0.4
319.16577	10.5
320.16849	1.4
344.12265	0.4
383.11716	2.6
386.96155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40354	0.5
58.14037	0.6
59.01377	100.0
60.01716	1.2
61.98833	1.6
70.36676	1.0
72.78230	0.5
89.37154	0.6
97.10042	0.5
101.22437	0.5
112.36684	0.5
118.95620	0.5
130.53427	0.6
138.00653	0.6
322.27460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.2
61.98819	1.6
63.38057	0.4
65.04671	0.5
67.01915	0.5
71.01384	1.4
71.50779	0.6
71.51191	0.8
77.61868	0.5
85.02947	8.1
87.00858	2.9
89.02404	0.5
93.03439	2.8
101.02407	0.6
106.48928	0.4
109.02943	1.2
111.46311	0.6
115.04089	0.5
118.94975	0.5
127.04025	1.9
134.06346	0.6
157.40849	0.5
173.04465	0.8
191.05595	100.0
192.05949	4.4
223.59065	0.5
284.14178	0.6
304.24109	0.5
331.88214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
58.00597	1.1
59.01368	15.0
61.98829	22.2
63.11315	1.1
65.44521	1.1
68.33910	1.0
71.01371	10.4
71.51629	1.5
72.99323	1.5
73.02943	3.3
75.00867	71.1
83.01376	2.5
85.02958	3.8
86.80214	1.1
87.00873	2.2
89.02434	6.6
101.02412	9.3
109.02978	1.1
113.02425	3.3
117.01947	2.8
117.03455	14.7
119.03494	2.6
119.05011	13.5
133.02956	5.5
135.04527	5.7
136.69225	1.1
145.01517	2.9
145.02945	68.3
146.03242	3.4
150.03177	4.3
161.02425	15.1
161.06065	1.4
163.03998	12.5
174.38145	1.2
179.03474	4.6
179.07098	2.4
179.10724	1.1
221.08290	1.1
237.06131	100.0
238.06564	6.4
328.44159	1.1
339.10800	2.7
383.09769	66.5
383.61621	1.2
384.10086	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	383.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99619	7.4
59.01378	28.5
59.79377	5.0
61.98823	100.0
67.16200	5.9
69.03428	6.1
69.87432	13.3
71.01382	25.2
72.99300	7.3
73.02933	7.6
74.05305	6.1
85.02952	16.7
87.00864	67.8
89.02431	7.7
93.03436	7.6
97.02917	6.9
98.20635	11.3
101.02432	23.8
101.06091	45.2
102.98589	25.7
108.02174	75.1
109.02959	14.6
113.02476	12.9
115.03989	12.0
121.02855	8.7
123.04503	18.6
129.05550	13.0
135.04521	10.1
137.02489	10.1
139.00438	9.0
153.05507	12.2
159.26270	6.3
161.02432	6.2
167.03467	14.9
191.05606	84.3
229.03403	6.7
251.11313	11.7
271.78464	5.6
283.04898	25.2
330.69998	7.0
335.94547	5.5
383.09998	16.3
383.15372	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	383.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.98831	0.4
69.03466	0.2
70.82079	0.4
71.01360	0.3
85.02952	0.2
89.02422	0.3
95.68811	0.2
101.02401	0.3
105.18047	0.2
135.04570	0.4
137.02411	0.8
152.04784	0.2
161.02391	0.3
163.04008	2.3
164.04782	100.0
165.05106	6.1
167.04536	0.2
168.13600	0.2
177.05534	0.3
179.07123	87.0
180.07469	5.2
185.11734	0.3
221.08125	0.3
323.11295	0.5
341.12234	0.4
383.13730	1.1
383.17715	0.4
402.31403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
56.45161	0.9
57.03424	1.4
58.99596	2.9
59.01378	6.8
61.98830	10.3
66.88729	0.8
67.04690	0.9
70.84436	1.3
71.01377	14.8
73.02935	4.3
74.50993	0.8
75.67184	0.7
83.01390	2.0
85.02934	7.5
87.00335	2.0
87.00870	34.5
87.02732	4.1
89.02443	2.9
95.01367	1.2
95.20631	1.2
99.00865	1.9
101.02438	6.4
113.02451	5.1
119.03525	1.0
129.01912	1.2
131.05360	2.6
133.02965	2.9
133.06924	100.0
134.07249	3.2
135.04500	3.1
145.02892	0.9
161.02428	9.3
161.04550	5.8
161.05826	1.3
179.03543	1.5
179.07089	1.8
203.07394	4.2
212.51128	0.8
237.06171	1.1
249.06122	27.7
250.06432	1.2
254.76158	0.9
345.11771	1.3
383.09967	3.6
383.13812	66.0
384.14304	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	383.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85841	0.9
58.99567	1.2
59.01377	16.1
61.98827	21.2
69.34423	6.1
69.82336	0.7
71.01006	1.4
71.01376	18.2
72.99309	1.3
73.02937	5.6
75.00871	1.2
83.01363	1.5
85.02943	7.1
86.18269	0.8
87.00870	36.3
87.02718	4.4
89.02440	6.5
95.01392	1.7
98.20614	1.3
99.00913	2.0
101.02445	9.8
113.02436	6.5
119.03488	3.1
121.39040	1.0
129.01913	0.9
131.05334	2.5
133.02991	4.6
133.06926	100.0
134.07237	3.6
135.04514	6.6
141.15446	0.8
145.02899	1.1
156.40627	0.8
159.02937	1.0
161.02431	12.5
161.04492	4.9
176.07294	0.8
179.03529	5.4
179.05620	0.8
182.64432	0.9
183.06540	1.3
188.35658	0.8
203.07442	2.8
237.06068	1.6
249.06133	30.3
250.06502	1.6
264.33981	0.8
284.48950	0.8
345.11768	1.1
378.77090	0.8
383.09674	5.5
383.13748	68.7
384.10162	0.8
384.14023	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	383.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	32.6
61.98825	69.9
69.03450	14.5
71.01393	13.0
71.53204	9.5
71.53628	9.0
73.02955	7.9
89.02452	9.6
104.63595	7.9
120.99651	100.0
122.61798	8.6
161.02473	16.0
179.03465	10.8
185.00877	13.1
185.11794	51.0
229.08673	9.3
251.07481	42.0
261.61111	8.4
273.46225	9.2
358.93448	8.7
383.11099	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	384.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.8
59.01378	21.5
61.98808	1.8
69.56350	2.8
71.01376	11.3
72.99287	1.3
73.02958	0.9
73.09729	0.5
82.77284	0.6
83.01386	0.9
85.02945	3.7
87.00872	1.4
89.02434	6.8
89.64458	0.5
95.01366	1.1
101.02443	5.3
110.55996	0.6
113.01717	0.5
113.02408	2.5
116.05048	1.9
116.34623	0.5
117.62021	0.5
119.03505	1.5
119.04982	0.7
119.69057	0.5
121.02917	0.5
128.05077	1.6
130.06624	12.9
131.03752	3.6
132.08163	3.9
135.04512	0.6
142.06589	4.9
144.04588	0.7
146.06100	0.8
149.02420	4.3
150.03252	0.7
150.09239	1.0
158.06076	2.0
160.07666	12.3
161.02377	2.5
161.08049	0.9
162.02742	1.7
164.04790	4.6
176.07158	39.7
177.07486	2.8
178.08755	1.0
179.07053	1.5
193.01437	0.7
194.08202	6.9
204.06645	3.8
208.03714	1.4
222.07695	17.8
223.06099	5.9
223.08038	1.0
264.08707	0.7
357.83673	0.6
376.10986	0.9
384.12976	100.0
385.13339	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
61.98827	100.0
63.99251	1.6
67.52883	0.4
69.06255	0.4
71.01376	0.5
81.85162	0.4
84.84915	0.4
85.02970	0.7
87.00890	1.4
90.97087	0.4
160.22711	0.4
162.99985	0.5
171.03047	0.4
188.42308	0.4
191.05791	0.4
233.49271	0.4
263.09796	0.4
324.16403	0.7
342.57016	0.4
359.88614	0.5
385.11536	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	384.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50923	0.5
59.01363	3.2
61.98825	100.0
63.80164	0.5
71.01382	1.6
71.50182	1.0
73.02969	0.7
85.02964	0.9
87.00883	0.5
89.02461	1.2
90.46002	0.5
101.02454	2.1
113.00871	0.5
127.00414	0.6
139.03934	0.6
163.06151	0.9
168.13216	0.5
241.50995	0.5
325.11270	3.0
408.72229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45908	4.3
54.83211	3.7
59.01375	100.0
67.54311	4.3
69.71352	25.2
71.01367	50.8
71.92096	3.9
73.02950	60.0
74.70183	4.5
77.57381	4.9
83.01376	9.2
85.36953	4.6
89.02443	24.5
98.20602	9.1
99.00806	5.0
101.02441	40.8
108.45300	4.7
113.02445	28.3
119.03498	16.0
119.05020	50.7
120.06257	3.8
121.88369	4.6
161.04539	13.1
175.00354	4.4
191.05678	4.2
205.05008	9.8
223.06171	7.3
281.10263	42.8
299.11292	13.5
341.12354	9.7
385.10837	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	385.1289
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
59.01373	5.9
61.98812	2.5
65.20984	0.8
65.21439	0.8
67.21846	0.7
71.01347	1.2
71.53773	0.9
83.01383	1.5
85.02930	1.0
89.02380	1.6
102.39403	0.9
108.02176	9.0
111.64529	0.8
121.02966	1.3
123.04498	7.4
124.18172	0.9
131.05011	9.1
147.04544	6.3
160.01605	5.7
161.02454	6.8
161.06084	2.6
162.03119	0.9
163.03917	0.8
170.04645	0.8
174.03204	7.7
175.03986	100.0
176.04384	5.5
189.01917	20.5
189.05551	21.7
190.02303	1.3
190.06328	15.0
191.06857	1.2
203.03519	1.3
204.04253	12.9
205.08685	23.9
206.09079	1.7
208.03682	3.1
218.05774	2.2
219.06601	54.5
220.06879	4.7
222.05310	32.1
223.05684	2.1
249.07658	28.4
250.07936	2.0
269.19406	1.0
293.45035	1.1
303.07751	1.0
311.09259	2.6
325.10831	2.9
326.11609	5.6
341.13824	11.3
342.14172	2.0
354.16678	0.9
370.10547	10.8
385.12881	34.1
385.25851	4.1
386.13354	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	385.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.9
61.98812	2.5
65.20984	0.8
65.21439	0.8
67.21846	0.7
71.01347	1.2
71.53773	0.9
83.01383	1.5
85.02930	1.0
89.02380	1.6
102.39403	0.9
108.02176	9.0
111.64529	0.8
121.02966	1.3
123.04498	7.4
124.18172	0.9
131.05011	9.1
147.04544	6.3
160.01605	5.7
161.02454	6.8
161.06084	2.6
162.03119	0.9
163.03917	0.8
170.04645	0.8
174.03204	7.7
175.03986	100.0
176.04384	5.5
189.01917	20.5
189.05551	21.7
190.02303	1.3
190.06328	15.0
191.06857	1.2
203.03519	1.3
204.04253	12.9
205.08685	23.9
206.09079	1.7
208.03682	3.1
218.05774	2.2
219.06601	54.5
220.06879	4.7
222.05310	32.1
223.05684	2.1
249.07658	28.4
250.07936	2.0
269.19406	1.0
293.45035	1.1
303.07751	1.0
311.09259	2.6
325.10831	2.9
326.11609	5.6
341.13824	11.3
342.14172	2.0
354.16678	0.9
370.10547	10.8
385.12881	34.1
385.25851	4.1
386.13354	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	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01715	1.4
61.98826	2.0
69.56278	2.7
71.01382	1.9
78.22519	0.5
81.64700	0.4
87.00874	0.6
89.02463	1.0
94.11161	0.5
98.19926	0.5
105.07069	0.4
113.02483	0.6
113.81606	0.5
119.03482	0.5
122.99211	0.4
142.36639	0.5
151.00726	0.8
161.02547	0.5
161.04581	0.5
190.06355	0.6
219.82808	0.4
236.18182	0.5
350.79910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01715	1.4
61.98826	2.0
69.56278	2.7
71.01382	1.9
78.22519	0.5
81.64700	0.4
87.00874	0.6
89.02463	1.0
94.11161	0.5
98.19926	0.5
105.07069	0.4
113.02483	0.6
113.81606	0.5
119.03482	0.5
122.99211	0.4
142.36639	0.5
151.00726	0.8
161.02547	0.5
161.04581	0.5
190.06355	0.6
219.82808	0.4
236.18182	0.5
350.79910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
56.36589	0.3
57.03440	4.3
57.33480	0.3
58.00592	2.4
59.01375	64.8
60.01706	0.5
61.98821	1.2
69.03457	1.3
70.09618	1.4
70.88641	0.3
71.01376	70.4
72.01727	1.6
72.99306	2.8
73.02944	12.4
73.03360	0.6
74.03279	0.3
75.00876	0.9
83.01382	5.2
83.05026	1.3
84.02173	0.5
85.02945	23.4
86.03281	0.4
87.00879	2.6
89.02439	36.3
90.02788	0.4
95.01370	4.4
95.05020	2.2
97.02950	5.3
99.00867	5.0
101.02434	34.4
102.02758	0.7
103.04019	0.4
105.07101	1.7
107.05034	0.7
108.05803	2.7
109.02931	1.0
109.06598	1.7
109.07745	0.3
111.04512	1.7
111.08200	0.4
113.02443	26.2
113.06068	3.6
114.02809	0.8
119.03493	11.5
121.06601	0.9
122.03728	2.9
123.04479	0.6
123.08148	4.4
124.05287	0.6
125.02436	1.5
125.06097	3.3
129.01952	0.4
131.03485	1.3
133.02953	2.0
134.03714	1.2
135.04526	3.7
135.08127	1.0
136.05289	4.5
137.02435	0.7
137.06107	1.5
138.06860	23.7
139.04007	0.3
139.07664	9.4
139.25458	0.3
143.03487	3.2
147.08192	0.5
147.48065	0.3
149.02434	0.9
149.04607	0.5
149.06076	1.1
150.03217	7.0
151.03827	0.9
151.07640	22.6
152.04866	2.0
152.07106	0.7
152.08421	44.3
153.09203	100.0
154.09535	5.2
159.02948	4.5
161.02518	4.0
161.04535	20.2
161.09676	1.0
162.04887	0.6
163.11272	4.4
164.04716	0.7
165.09161	2.4
166.06337	0.6
166.45784	0.3
167.07126	1.7
175.00354	0.4
175.03998	0.3
178.02719	0.5
179.03479	4.1
179.05589	3.4
179.06976	0.3
179.10748	0.4
180.03833	0.4
181.05049	0.3
181.08672	1.0
187.11269	0.9
189.09180	1.3
190.02661	0.7
190.09995	2.2
205.03384	0.4
205.05031	0.8
205.12315	32.2
206.05792	0.4
206.12656	2.9
223.06129	1.0
223.13365	17.0
224.13731	1.3
258.74973	0.3
265.07178	0.9
295.08066	0.5
304.06931	0.7
304.57025	0.5
315.14267	0.5
325.09131	0.8
327.14481	0.4
376.10858	4.4
376.60934	2.1
385.11176	1.2
385.18610	10.6
386.19028	1.1
386.58301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1866
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
53.90479	0.7
55.01876	5.7
57.03436	4.4
59.01377	19.7
61.98841	1.0
71.01379	100.0
71.52188	0.8
71.94868	0.7
72.01734	1.7
72.99310	2.0
73.02943	29.6
75.00859	2.0
83.01385	11.9
84.02150	1.1
85.02946	46.9
86.03286	1.1
87.00869	3.0
89.02447	9.2
91.81396	0.9
95.01397	7.5
97.02951	2.6
99.00879	13.4
101.02437	56.6
102.02783	1.9
113.02448	43.1
114.02786	1.3
119.03483	1.5
125.02457	3.6
129.01897	1.9
143.03471	3.9
159.02969	10.6
161.04543	49.1
162.04874	1.2
179.14421	14.4
205.03433	1.3
223.13405	3.4
258.01245	0.7
263.85529	0.7
281.09006	0.9
325.11230	1.0
385.13214	2.6
385.18588	30.3
386.18900	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	385.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29082	2.4
59.01386	6.5
61.98826	100.0
63.65413	2.5
70.06119	2.4
71.51868	3.3
77.45158	2.7
102.73396	3.1
161.11789	2.7
215.70570	2.9
217.62369	2.8
258.33212	2.8
337.25055	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	387.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01376	15.5
59.72539	0.5
61.98827	17.4
65.03954	7.4
65.29482	0.5
68.99808	0.5
69.03445	1.2
69.68357	3.1
71.01375	7.7
72.97533	1.5
72.99296	0.6
73.02942	6.0
75.00891	0.8
81.03442	0.8
83.01380	1.8
85.02964	2.5
87.00871	6.6
89.02434	3.9
93.03456	2.1
95.01383	0.7
95.05006	1.3
101.02425	7.4
105.01907	1.6
105.03453	2.1
107.38494	0.5
108.02177	1.4
109.02956	2.9
113.02437	2.3
117.61172	0.5
118.98101	1.1
119.03489	1.4
119.05029	0.9
121.02958	2.6
121.06586	3.1
122.03732	2.4
123.04518	34.3
124.04869	0.9
133.02948	1.1
135.04529	1.7
137.02460	1.4
139.03996	7.7
139.07605	0.6
143.03531	0.7
149.02428	6.1
150.01466	0.8
150.03215	56.5
151.03996	100.0
152.04327	5.1
153.05595	0.9
161.04530	2.2
162.93867	0.5
163.03970	1.2
163.07632	0.7
163.11258	0.9
164.04721	0.6
165.05553	4.8
175.04056	0.9
177.01913	1.4
179.05630	1.0
182.87282	0.5
183.06581	8.7
191.05527	0.9
192.04272	0.6
193.05008	1.9
195.03064	0.6
207.06609	0.9
225.07692	4.1
295.08313	2.4
313.09268	1.5
327.10913	1.1
345.11935	3.1
355.10287	16.3
356.10608	1.6
387.12778	12.3
388.13132	0.9
388.23715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1448
Annotation	Simulanol
Peak:m/z	Relative Intensity
53.83102	0.5
58.83672	0.5
59.01368	0.6
61.04970	0.4
63.08076	0.5
69.28758	4.0
83.01369	0.9
95.01388	0.8
97.02983	0.4
98.19932	0.8
101.36842	0.5
102.78658	0.4
108.02165	4.7
109.02950	0.8
121.02937	0.5
123.00845	0.9
124.01676	0.6
129.58780	0.4
134.03731	1.0
135.04535	0.6
136.01654	92.4
137.01988	3.3
147.04477	0.8
150.03238	0.5
151.03999	100.0
152.04330	4.7
162.03192	0.7
163.04027	1.6
164.45749	0.4
189.05431	0.4
206.56073	0.4
297.07831	0.7
311.37927	0.4
372.12076	8.4
373.12436	1.2
387.14490	17.2
388.14752	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	387.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.1
57.95761	0.8
69.27505	6.1
69.27903	1.6
71.01396	0.7
83.01382	77.0
84.01746	1.5
95.69972	0.8
98.19898	1.6
109.02972	4.3
121.02975	4.5
122.03729	9.0
123.04524	1.5
136.01625	1.4
136.05318	2.1
137.02431	20.4
137.06065	5.5
138.03249	5.3
147.04491	4.0
151.04005	6.0
152.04793	8.3
153.05539	1.5
159.04550	0.8
161.02431	2.9
161.06071	2.3
162.03194	1.6
162.06909	1.1
163.03986	4.2
166.06361	1.7
167.07108	4.8
168.25658	0.8
170.02116	0.7
170.15147	0.7
175.03886	0.9
176.04823	1.8
177.05542	4.3
191.07072	1.2
195.06645	0.8
198.05348	1.0
200.74733	0.9
204.04256	1.1
220.03751	1.2
221.08186	3.1
251.09319	1.9
264.48691	0.8
309.64008	0.8
313.10721	1.9
328.13248	1.2
333.09607	0.9
357.09787	7.8
358.10126	1.2
372.12088	18.7
373.12497	2.6
387.14456	100.0
388.14807	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	387.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
58.00587	1.3
59.01376	100.0
60.01696	1.5
61.17202	0.9
61.98812	1.0
67.01888	1.7
68.51676	1.0
69.29663	8.5
71.01378	13.5
72.99294	0.9
73.02950	5.4
77.91528	0.9
83.01382	4.1
85.02943	6.3
87.04527	1.5
89.02431	2.9
95.01392	1.1
96.96021	1.8
97.06590	1.1
99.00871	1.8
101.02442	14.6
105.03436	2.1
108.02180	1.8
109.02948	1.7
113.02435	5.5
119.05059	1.6
121.02926	1.8
123.00881	4.4
123.04501	1.8
129.03458	1.8
136.01666	11.3
145.02942	1.7
146.03719	8.2
147.04514	67.5
148.04883	3.9
151.04012	11.4
152.04404	0.9
159.03119	1.4
159.04498	2.9
161.02475	1.8
161.04570	5.2
162.06801	1.1
163.11165	1.2
165.12843	3.4
173.02429	4.2
174.03084	1.3
175.04086	1.1
177.05550	1.4
181.05070	1.0
181.12332	3.2
187.03966	2.1
188.04732	3.6
189.05492	1.5
195.13875	1.4
202.06277	1.8
225.11305	12.3
233.08096	1.0
235.09709	1.1
264.11234	1.0
267.12402	3.7
269.08047	1.4
282.05521	1.4
295.09875	1.4
297.07669	14.3
297.42343	1.1
298.07980	1.1
309.07675	1.5
311.09225	6.3
312.09988	55.9
313.10339	5.1
326.11517	1.6
327.12274	85.6
328.12659	11.7
337.19998	1.0
339.12329	1.7
345.15335	1.3
345.19174	16.2
346.19611	2.0
357.13385	30.7
358.13763	4.2
372.12015	1.3
378.37970	1.1
387.10330	2.4
387.14899	3.9
396.68143	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
58.00598	1.0
59.01377	60.5
60.01699	1.1
60.38479	0.4
60.86817	0.5
61.98828	3.2
66.26641	0.6
69.34071	2.4
69.34486	1.3
71.01375	13.0
72.99313	0.6
83.01367	0.6
85.02955	2.1
89.02434	12.0
95.01402	1.0
95.05025	0.5
98.20667	1.1
101.02431	7.7
113.02435	5.3
119.03492	4.8
120.35271	0.5
139.07686	1.2
147.08177	0.7
163.11278	36.9
164.11594	2.6
179.05617	0.7
207.10303	0.9
221.68819	0.5
278.24112	0.5
387.16580	100.0
388.16925	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	387.1658
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
52.42554	0.5
55.01872	0.6
57.03435	0.4
57.11955	0.5
58.00583	0.8
58.51366	0.5
59.01376	69.7
59.23999	0.5
60.01715	0.5
61.98829	0.7
69.40085	1.4
69.40485	1.8
71.01377	13.0
73.02935	0.7
73.16418	0.5
80.03936	0.5
81.56379	0.5
83.01370	0.9
85.02956	2.9
89.02441	14.0
95.01398	1.1
101.02438	8.7
113.02440	5.8
119.03475	4.9
132.95470	0.5
136.06882	0.4
161.04572	0.8
163.11290	5.4
164.11621	0.5
179.05598	0.8
202.86409	0.6
207.10251	11.7
207.12193	0.7
207.14006	0.6
208.10480	0.7
387.16568	100.0
388.16919	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45674	2.2
59.01374	100.0
60.51485	2.3
61.98820	13.4
63.45478	2.2
71.51098	2.8
75.90654	2.3
168.78793	2.2
170.65906	2.7
209.24577	2.6
212.77708	2.6
223.33556	2.9
253.21736	6.7
372.12079	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10950	0.5
53.85923	0.5
54.58758	0.5
59.01379	5.8
61.98826	100.0
65.03961	3.5
69.03455	1.2
69.48636	3.2
71.01374	2.9
73.02967	0.6
75.47531	0.7
81.95111	0.6
85.02969	0.9
89.02419	1.2
98.19942	1.1
99.00871	0.7
99.04568	0.6
101.02441	1.6
113.02457	1.0
119.03476	0.7
119.05050	0.7
119.56781	0.5
121.06599	2.0
139.04018	3.8
165.05592	3.1
168.25632	0.5
170.18478	0.5
183.06561	4.2
209.04504	2.0
345.11838	3.9
388.17084	1.3
389.10583	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	389.1085
Annotation	Epikingisidic acid
Peak:m/z	Relative Intensity
53.02206	1.5
53.29939	1.4
55.01867	2.6
57.03431	1.8
59.01378	34.2
60.05943	1.4
60.52910	1.5
64.71717	1.4
65.03962	59.1
68.99809	3.5
69.03453	13.3
71.01009	2.5
71.01379	28.1
73.02934	4.1
76.08673	1.3
83.01382	2.9
85.02952	14.3
87.00887	1.7
89.02449	13.2
89.59707	1.3
93.03468	10.0
95.01398	3.0
95.05026	6.7
97.87064	1.6
99.00878	4.6
101.02436	20.5
103.05532	3.1
104.62170	1.5
106.04235	3.4
109.02988	1.4
111.00845	2.5
113.02446	11.4
119.03487	4.2
119.05028	8.7
121.06589	33.3
122.06934	2.5
139.04007	100.0
139.07622	2.5
140.04375	3.6
161.04514	5.3
163.07600	2.7
165.05556	57.2
166.05894	2.9
172.32109	1.5
183.06618	75.3
184.06911	5.0
207.06644	2.7
209.04565	23.1
216.03951	1.5
227.05573	6.2
345.11871	82.2
346.12195	9.6
382.81079	1.6
389.10870	74.1
390.11151	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	389.1085
Annotation	Monotropein
Peak:m/z	Relative Intensity
55.01850	2.1
57.03431	1.9
59.01377	32.3
63.54013	1.6
65.03959	57.3
68.99815	4.1
69.03448	20.5
69.31033	6.6
69.31466	6.4
71.01374	26.3
73.02942	6.6
81.03431	2.4
83.01376	2.8
83.62204	1.4
85.02931	14.1
87.00879	1.9
89.02436	13.6
92.55494	1.6
93.03456	13.3
95.01373	1.9
95.05029	6.3
96.14128	1.6
99.00860	5.6
101.02439	21.2
106.04232	4.2
113.02433	11.4
115.64291	1.5
119.03515	7.2
119.05024	5.9
121.06586	38.8
131.03450	1.8
137.06189	2.2
138.32285	1.8
139.03999	100.0
139.07619	2.1
140.04311	3.4
161.04550	5.4
163.07605	3.1
165.05556	61.4
166.05991	1.9
183.06606	89.8
184.06955	4.8
207.06639	2.4
209.04536	36.7
210.04784	2.4
225.07666	3.4
227.05551	6.1
329.08832	2.8
345.11874	95.4
346.12277	11.4
389.10870	86.3
390.11270	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	389.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	29.2
65.03959	56.4
66.04297	2.3
68.99803	3.1
69.03452	14.6
69.31012	5.3
69.31435	7.2
70.30648	1.6
71.01374	30.5
72.99319	1.9
73.02945	5.9
83.01370	3.1
85.02940	10.4
89.02448	16.8
93.03449	10.4
95.01396	2.4
95.05023	9.0
99.00882	5.3
100.68249	1.7
101.02436	20.6
103.05519	2.2
106.04247	2.5
107.05054	2.7
111.00903	1.7
113.02453	10.7
119.03521	5.4
119.04974	8.0
121.06593	36.9
122.06912	3.5
137.06084	1.8
139.04005	100.0
139.07605	3.2
140.04355	4.8
161.04535	5.0
163.07599	1.9
165.05559	63.8
166.05910	3.4
183.06604	78.1
184.06947	2.9
192.93219	1.7
207.06532	2.5
209.04526	32.3
227.05652	8.9
344.83633	1.5
345.11847	73.5
346.12280	6.5
389.10873	78.7
390.11078	8.5
396.03387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1087
Annotation	Epikingisidic acid
Peak:m/z	Relative Intensity
55.01867	2.8
59.01376	54.6
65.03957	75.2
66.04300	2.9
68.99817	6.0
69.03445	24.3
69.16617	8.1
69.17046	15.1
71.01376	40.1
73.02934	11.5
83.01351	5.2
84.02132	3.1
85.02954	18.3
87.00798	2.3
87.23915	2.0
89.02436	17.8
93.03444	12.4
94.51989	2.1
95.01410	3.5
95.05027	8.8
99.00865	6.7
101.02436	22.0
103.05482	3.0
103.49336	2.3
106.04263	4.5
111.00888	3.2
113.02446	16.8
119.03489	8.3
119.05033	5.7
121.06575	44.7
122.06896	2.6
139.04004	100.0
140.04350	2.9
151.06436	2.4
161.04491	7.0
165.05559	63.0
166.05930	2.9
172.11957	2.2
183.06609	72.5
184.06917	5.1
209.04526	24.0
224.50092	2.4
227.05573	6.5
301.12756	2.9
345.07553	3.2
345.11856	77.5
346.12222	9.1
389.10861	79.0
389.18082	4.6
390.11050	5.9
409.53021	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.01372	10.4
61.98826	1.0
64.44610	0.7
65.03963	2.0
67.56165	0.8
69.03468	4.2
71.01400	4.1
73.02941	1.7
83.01363	1.1
85.02948	3.4
87.00914	0.8
87.04511	2.5
89.02436	3.7
91.05551	0.9
99.07327	0.9
101.02444	3.1
103.05527	1.1
105.03423	1.8
108.02180	8.1
108.77663	0.7
109.02986	1.2
113.02496	1.1
119.03504	1.4
119.04955	1.4
121.02953	7.1
121.06572	1.2
122.03747	8.8
123.00862	2.8
123.04551	7.5
124.01645	1.3
131.04958	1.9
133.06586	0.8
134.03754	1.1
135.04523	2.5
136.01639	5.5
137.02452	4.2
139.03949	1.7
143.05011	1.7
145.06566	0.9
146.03702	1.3
147.04500	15.5
147.05647	0.9
148.05321	8.6
149.02440	2.7
149.06131	0.9
150.03175	2.3
151.04005	9.0
154.02711	1.9
158.03719	10.9
159.04494	15.4
160.05280	37.1
161.02448	1.5
161.06078	10.1
162.03249	2.2
163.03992	6.9
163.07623	3.5
164.03746	0.7
164.04814	8.7
165.05408	1.7
172.05252	2.7
173.06064	10.2
174.06618	1.6
174.30853	0.7
175.03970	3.2
175.07631	34.3
176.07959	1.2
177.04112	1.1
177.05571	18.4
178.06342	29.3
179.06876	1.7
183.06592	2.6
187.07600	1.1
189.05557	10.1
190.06326	9.6
191.06837	1.2
192.07896	1.8
193.08676	20.3
194.08961	1.3
205.08681	8.4
208.07391	0.9
223.09717	6.2
224.10196	0.7
253.10815	7.0
314.11508	2.7
317.14008	1.3
326.11670	0.9
329.13815	3.6
341.13812	1.9
344.12625	3.7
345.12320	2.4
359.14972	100.0
360.15240	11.7
371.14868	3.1
389.11331	1.4
389.16217	4.5
390.16446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.7
61.98820	0.4
69.44209	1.9
69.44626	1.4
71.01394	0.4
76.89693	0.4
83.01380	2.1
90.63786	0.4
90.71814	0.4
93.03444	4.9
98.20727	0.8
102.41592	0.5
104.18890	0.5
108.02157	1.2
109.02958	4.2
121.02946	56.1
122.03813	5.5
123.00866	1.8
123.04539	4.0
124.01563	0.5
129.42290	0.4
134.03734	8.4
135.04521	24.1
136.01561	0.5
136.05312	12.3
137.02431	1.5
137.05731	0.6
138.03194	1.2
139.03970	0.4
142.43532	0.4
146.03725	1.3
147.04517	2.3
148.05299	3.5
149.06078	8.7
150.06432	0.6
154.02606	1.1
159.04503	1.4
160.05331	3.1
161.02438	0.5
161.06085	3.2
162.03244	2.3
162.06747	1.1
163.04028	1.0
163.07500	0.8
164.04771	1.3
165.05597	0.6
168.04250	3.8
175.03963	1.3
175.07578	4.1
176.04715	0.9
176.07944	0.6
177.05557	2.0
178.06311	3.5
179.07155	4.3
186.42920	0.5
193.05055	0.6
193.08727	0.9
195.06511	0.5
204.04254	10.7
219.06592	27.7
220.06999	1.8
227.12767	0.7
253.10794	1.8
285.11224	1.2
297.11246	1.3
299.12781	0.9
300.13519	2.1
311.12747	0.7
312.13684	1.1
322.33731	0.5
327.15976	1.0
330.14667	46.7
331.14969	5.2
345.16977	14.9
346.17273	1.4
371.14883	3.2
389.16003	100.0
390.16312	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	389.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00943	0.3
59.01377	8.8
65.03944	0.7
68.53416	0.4
69.03449	1.3
69.37811	2.6
71.01375	2.5
73.02941	2.9
83.01417	0.5
85.02908	0.8
89.02443	0.9
93.03455	0.3
98.19896	0.4
101.02454	2.3
106.04301	0.4
113.02434	1.0
119.03453	0.5
120.01653	0.3
129.01901	0.4
139.03954	0.6
139.11252	2.6
161.04503	0.5
165.05530	0.5
167.10738	1.8
183.06624	0.6
185.11807	100.0
186.10497	0.6
186.12157	7.9
197.21674	0.4
227.12814	2.7
329.15915	0.7
345.11926	0.8
347.16995	1.7
389.10999	0.6
389.18054	5.2
390.18469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01705	0.5
69.38470	1.4
69.38903	1.9
71.01380	0.9
73.02914	0.4
76.65248	0.4
85.02934	0.6
86.93044	0.5
89.02437	0.6
101.02470	0.9
112.50925	0.5
113.02404	0.5
139.04018	0.7
200.09915	0.5
345.11615	0.5
389.11200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
54.59139	0.4
55.01887	0.5
56.91318	0.4
57.03443	0.8
59.01378	64.4
60.01710	0.8
61.98820	0.6
65.03963	3.4
69.03474	1.2
69.70039	1.7
71.01379	11.3
71.41348	0.4
72.99310	0.5
73.02948	4.2
73.18727	0.3
74.99718	0.4
78.17017	0.4
81.27885	0.3
82.22430	0.4
83.01373	1.9
85.02951	5.9
87.00868	1.3
89.02442	5.5
93.03477	2.5
93.80383	0.4
95.01395	0.9
97.45546	0.4
99.00888	1.4
101.02441	9.6
101.03114	0.6
111.00879	0.5
113.02450	4.8
119.03488	1.9
119.05012	0.5
121.06605	2.0
122.56229	0.4
127.91710	0.4
133.06593	0.4
135.04543	1.9
139.04031	4.7
149.09729	0.5
159.03006	0.7
161.04532	1.5
165.05566	3.4
173.04562	0.9
173.14377	0.5
173.60846	0.4
179.03514	0.5
183.06630	3.2
190.64862	0.5
191.05585	8.4
191.07178	0.7
191.50690	0.4
209.04532	0.9
223.93741	0.4
227.05423	0.4
227.12936	0.4
233.83005	0.4
313.11713	0.4
329.15979	1.0
345.11893	2.4
353.08881	2.7
371.17123	1.3
389.18155	100.0
390.10861	0.8
390.18463	13.2
397.87921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	31.0
61.40739	9.9
61.98835	50.3
62.20996	8.8
63.10197	8.7
85.37727	8.3
125.06076	100.0
144.33409	7.9
157.61488	10.0
162.02295	10.2
285.39847	10.3
389.10657	9.6
389.19656	46.8
390.20261	10.2
392.60822	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	389.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20128	20.1
53.38808	22.0
59.01360	71.0
61.98815	100.0
62.96579	21.3
65.06374	20.4
71.51910	40.9
72.21805	20.0
76.91190	21.5
183.06480	22.9
212.23343	25.8
251.00128	22.6
340.90985	22.3
409.44894	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	389.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80561	1.1
59.01376	100.0
69.89270	1.3
70.82616	1.8
70.82947	1.3
82.12218	1.1
91.36810	1.0
93.49324	1.1
95.08279	1.1
149.59743	1.0
164.66560	1.1
178.68005	1.3
369.94003	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01709	0.9
61.98840	1.0
65.11138	0.5
69.68830	2.3
69.69232	1.0
80.96542	0.7
129.27213	0.6
133.86794	0.6
165.92061	0.6
183.39825	0.6
220.32629	0.5
226.00766	0.5
243.05841	0.5
389.19214	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23060	0.5
58.04813	0.5
59.01371	3.1
61.98825	100.0
62.46114	0.5
68.38245	0.5
69.55943	2.5
71.01373	0.7
76.62064	0.5
79.95737	0.7
95.49335	0.5
96.96002	37.8
128.84230	0.5
133.03519	0.5
183.13855	0.8
311.22324	1.4
327.04825	0.7
327.21844	0.9
334.02173	0.5
368.44818	0.6
391.17899	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81998	0.6
59.01377	3.3
61.98825	100.0
69.23513	1.7
69.23927	3.6
83.05025	1.1
84.40324	0.6
86.37493	0.5
98.20604	1.2
101.72072	0.6
112.60141	0.5
140.46553	0.6
203.08252	0.6
229.14438	1.2
326.20233	0.6
391.29477	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	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.6
59.01377	5.6
61.64146	0.3
61.98824	100.0
70.71302	0.8
72.91188	0.3
85.14449	0.3
96.96011	2.1
108.79449	0.3
109.02916	0.4
110.90176	0.3
120.68107	0.3
134.75488	0.3
160.05247	0.4
178.58546	0.4
321.98596	0.4
375.53384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.7
61.98826	100.0
63.11970	0.6
69.27306	0.6
71.01374	0.9
71.52215	1.0
94.16119	0.6
101.02435	0.7
119.85376	0.6
137.02344	0.9
151.01093	0.6
327.21689	1.3
355.11899	1.8
364.07678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03460	0.5
59.01376	100.0
60.01709	1.5
64.52773	0.5
65.08298	0.5
69.03431	0.8
69.47044	3.4
69.47352	0.8
71.01378	19.2
72.99314	1.0
73.02939	25.0
74.03294	0.8
75.00889	0.8
83.01373	6.3
85.02944	5.0
87.00893	1.2
89.02435	8.8
95.01414	1.6
97.02930	0.5
101.02435	22.1
102.71540	0.5
113.02445	13.4
119.03468	3.3
125.02473	0.7
126.70738	0.5
131.03508	2.6
135.04469	0.7
143.03543	2.1
149.04601	2.2
150.74028	0.4
155.03464	0.7
161.02560	0.8
161.04552	5.2
179.05605	0.9
187.13472	0.6
191.05611	1.0
203.05577	0.8
311.09402	0.6
331.17719	1.6
349.18680	2.0
389.59317	0.5
391.11014	1.4
391.19312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50006	0.4
55.01885	0.4
57.03434	2.3
59.01377	100.0
60.01700	1.3
69.25081	3.3
71.01376	8.2
71.01727	0.7
72.99305	0.8
73.02936	3.2
75.00850	0.4
83.01377	0.6
85.02940	2.7
85.73293	0.4
87.00847	0.6
89.02438	5.4
89.30523	0.4
92.02265	0.4
95.01353	0.5
99.00887	0.9
99.04530	1.2
101.02438	7.4
113.02448	4.3
119.03493	3.9
125.02451	1.0
131.03490	0.6
139.04095	0.5
143.03473	0.8
149.04620	0.6
150.03224	0.4
161.04524	5.1
170.57556	0.4
178.92795	0.4
179.03366	0.5
179.05627	1.0
187.13356	0.5
313.16599	0.8
331.17615	9.9
331.21265	0.4
332.17960	0.8
349.18768	1.6
391.11447	0.5
391.19635	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.6
69.66357	0.7
69.66749	0.7
71.01376	1.2
73.02948	0.7
101.02424	0.7
106.11724	0.3
113.02420	0.4
120.39517	0.3
141.12863	1.3
169.12354	0.8
185.11848	0.7
187.13387	100.0
188.13744	5.6
201.14934	1.2
229.14404	1.8
241.14433	0.8
349.18054	0.3
391.26913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
58.00561	0.5
59.01376	100.0
60.01701	1.4
61.98849	0.5
69.46925	2.5
69.47332	0.7
71.01376	17.1
72.99322	0.9
73.02943	15.3
75.10520	0.4
82.35061	0.5
83.01393	4.2
85.02950	4.5
89.02445	9.3
95.01402	1.3
97.02954	0.5
99.00895	0.6
100.81686	0.4
101.02440	16.9
113.02438	11.2
113.03153	0.7
119.03492	3.3
125.02442	0.7
131.03496	1.3
134.03729	0.5
135.04555	0.6
143.03522	1.5
145.02946	0.6
149.04572	0.9
150.03239	0.5
155.03520	1.0
156.32652	0.5
161.04546	5.0
179.03537	0.9
179.05682	1.2
187.13437	1.7
191.05641	0.5
193.05104	0.6
217.05313	0.8
235.06183	1.1
265.07187	0.5
295.08313	0.6
311.09558	0.6
331.17593	3.8
349.18683	3.5
353.44843	0.5
355.10373	0.5
391.10422	2.3
391.19757	1.0
394.28226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
56.69640	0.5
57.03442	1.0
59.01376	42.3
64.50877	0.5
69.03464	0.8
71.01377	15.6
72.99303	0.7
73.02946	4.7
83.01379	3.3
85.02950	5.8
87.00840	2.7
89.02444	2.7
95.01373	0.9
97.02919	0.8
99.00874	2.7
101.02430	8.5
111.00847	0.9
112.55923	0.5
113.02438	4.3
119.03486	0.6
125.02436	1.9
132.35796	0.6
141.12836	1.7
152.40605	0.6
161.04565	1.0
169.12325	1.4
187.13376	54.2
188.13672	2.8
199.13501	0.9
201.14949	1.9
229.14320	1.9
331.17572	23.9
332.18027	2.1
349.18628	74.2
350.18915	8.3
361.15677	1.0
391.19693	100.0
392.11505	0.7
392.20004	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01691	0.8
68.24161	0.4
68.51243	0.4
69.67101	2.6
85.89706	0.4
96.96055	0.7
124.43320	0.6
139.62766	0.4
141.44586	0.4
166.37968	0.5
184.74263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01707	0.8
61.98823	3.2
65.45611	0.4
69.85419	0.8
69.85814	1.2
71.01390	0.5
73.54655	0.4
88.72669	0.4
96.96014	5.3
100.17790	0.4
101.02427	0.5
127.32340	0.4
174.46725	0.4
215.96906	0.5
249.94073	0.4
301.64948	0.5
386.79626	0.5
391.18042	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
59.01368	7.1
61.98825	2.7
63.62525	0.8
66.73402	0.7
67.22436	0.9
69.55176	5.5
71.01349	1.0
79.95734	1.1
83.01382	42.9
84.01738	1.0
93.03446	2.1
96.96000	36.6
109.02945	1.9
121.02942	24.1
122.03712	2.8
123.00848	3.0
123.04494	2.7
136.05293	20.5
137.02370	2.0
137.05994	1.3
138.03235	1.0
158.47955	0.8
159.04486	0.9
168.04247	6.4
176.04741	1.1
221.08052	1.1
313.23880	2.0
319.35461	0.9
331.26187	1.3
342.10965	2.2
349.27487	1.1
355.11829	4.0
357.13394	100.0
358.13773	12.9
378.52252	1.0
393.19537	14.9
393.26508	3.3
394.19705	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	393.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82953	14.7
58.42017	14.3
59.01370	42.5
69.53199	93.0
70.61211	13.7
72.73423	14.5
80.83948	14.7
83.01385	64.4
96.96011	60.5
280.24017	15.7
289.42300	16.9
357.13507	100.0
393.19315	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06636	1.3
54.91565	1.3
59.01375	10.9
61.98814	2.8
69.03484	1.5
69.30894	5.1
69.31307	4.8
79.95733	2.0
83.01377	25.8
96.96007	100.0
98.20609	2.1
121.02943	15.2
122.03744	2.8
123.00898	1.4
123.04491	1.9
135.04568	1.7
136.01674	2.2
136.05289	10.1
137.02345	2.4
151.03963	2.5
159.04520	1.3
161.02425	2.0
164.17444	1.3
168.04269	4.8
176.04703	2.3
227.97679	1.5
232.06013	2.1
300.15213	1.3
313.23611	2.0
342.11020	3.2
355.11816	3.1
357.13385	71.2
358.13809	9.1
393.14359	2.1
393.19482	42.4
393.24429	2.5
394.19876	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	393.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82953	14.7
58.42017	14.3
59.01370	42.5
69.53199	93.0
70.61211	13.7
72.73423	14.5
80.83948	14.7
83.01385	64.4
96.96011	60.5
280.24017	15.7
289.42300	16.9
357.13507	100.0
393.19315	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36827	0.4
55.36698	0.4
59.01376	100.0
60.01717	1.4
71.01375	3.2
73.02952	0.9
73.13982	0.4
85.02951	1.0
89.02435	0.7
99.00881	0.6
101.02455	1.5
104.11052	0.4
111.31611	0.4
113.02468	1.7
124.87858	0.4
159.03032	0.4
161.04544	2.7
179.32474	0.5
333.15533	6.0
334.16296	0.5
393.17770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47318	0.4
59.01376	100.0
60.01711	0.9
61.98829	0.7
69.59932	1.1
69.60342	1.2
71.01385	3.4
73.02921	0.8
83.01437	0.6
85.02957	1.4
89.02415	0.9
101.02429	3.2
113.02468	1.2
137.37279	0.4
143.07161	0.5
161.04517	3.3
171.10301	0.7
296.94263	0.4
333.11765	0.4
333.15530	7.8
334.16107	0.8
357.01416	0.4
393.17673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03454	1.4
58.00594	3.7
59.01376	100.0
59.42313	0.3
60.01717	0.9
61.98827	4.4
69.03465	0.7
69.49680	2.3
71.01378	67.3
72.01733	1.2
72.99294	2.7
73.02946	9.9
75.00861	0.6
83.01381	3.5
85.02944	9.9
87.00861	3.7
89.02439	99.3
90.02782	1.8
90.70189	0.4
95.01397	3.2
97.02941	1.1
99.00875	8.3
101.02436	35.1
102.02778	0.7
113.02444	18.7
114.02805	0.5
119.03493	20.9
120.03847	0.5
125.02448	3.2
131.03494	16.7
143.03490	4.9
149.04547	38.6
150.04912	1.2
161.04544	5.0
179.05600	15.3
180.05939	0.7
191.05594	8.4
192.05978	0.7
221.06618	0.6
234.93727	0.3
251.07733	1.5
261.13364	4.8
273.06000	0.4
333.19153	0.8
351.20108	0.5
393.17618	15.5
394.18011	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08182	0.2
59.01365	0.4
71.43998	0.5
79.95733	2.4
96.96005	100.0
97.95937	0.5
171.55331	0.2
218.78088	0.3
240.11002	0.3
247.01790	0.2
288.24426	0.3
322.44684	0.3
365.68427	0.3
383.78259	0.3
393.19510	40.3
394.19864	4.7
401.33173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
61.98821	0.2
69.65517	0.9
69.65910	0.3
71.01369	0.3
73.99552	0.2
79.95734	2.3
96.03068	0.2
96.96007	100.0
110.52141	0.2
203.94055	0.2
229.12314	0.2
243.13757	0.2
261.14954	0.2
271.13235	0.4
289.14514	0.5
363.64410	0.2
393.19507	40.4
394.15387	0.2
394.19769	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	393.195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60118	0.2
59.01373	0.8
66.37533	0.2
69.41783	1.3
69.42216	0.4
79.95735	2.0
96.96004	100.0
180.59573	0.2
214.09503	0.3
393.19495	45.2
394.19803	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	393.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03449	0.5
58.00584	0.3
59.01375	100.0
60.01713	1.2
61.98833	0.4
69.51575	1.9
71.01377	11.4
72.99303	0.5
73.02943	3.2
83.01385	2.1
85.02943	5.7
87.00931	0.7
89.02436	4.0
95.01408	1.2
97.02967	0.5
99.00869	1.4
101.02441	8.0
101.03107	0.5
101.55884	0.3
111.00887	0.6
113.02443	5.6
113.03166	0.4
115.07690	0.4
119.03513	1.5
125.02473	0.6
135.04523	0.4
143.03496	0.6
150.03252	0.8
159.02974	0.6
161.02431	0.4
161.04558	3.2
173.11871	0.8
178.57932	0.3
179.05641	0.4
189.14949	3.5
231.15971	0.4
232.68288	0.3
252.52121	0.3
333.19144	12.4
334.19415	1.4
351.20193	11.3
351.24426	0.6
352.20648	1.0
383.61963	0.5
393.21365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53759	0.4
59.01376	100.0
60.01710	1.1
61.98830	0.7
64.47762	0.5
69.27824	0.8
69.28223	3.3
71.01376	5.1
72.99313	0.5
73.02941	2.4
83.01392	1.2
85.02943	2.3
87.00877	0.6
89.02451	1.9
98.20659	0.8
99.00867	0.8
101.02443	5.0
113.02477	2.0
119.03471	1.0
122.35387	0.4
128.42108	0.4
135.04510	0.5
143.03531	0.6
159.02939	0.8
161.02496	0.9
161.04536	3.8
248.75085	0.5
333.19141	15.4
334.19675	1.5
356.62219	1.9
371.60876	0.7
392.61371	1.0
393.21112	0.6
393.61426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54239	0.4
59.01376	100.0
60.01714	0.8
61.98825	3.6
70.79962	0.5
71.01404	0.4
71.52298	0.4
71.52675	0.5
75.27978	0.4
85.02902	0.5
132.19408	0.5
143.61943	0.4
172.41927	0.4
181.82620	0.4
280.04538	0.4
291.18045	0.4
400.83032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98830	44.2
70.82488	8.8
71.01372	40.0
83.01372	4.3
85.02927	7.6
87.00888	3.7
89.02437	53.7
96.96020	3.8
101.02422	10.7
113.02413	12.9
116.66546	3.5
119.03468	9.0
141.47789	3.9
143.03433	4.2
161.04500	8.5
163.03847	3.6
179.05569	16.9
183.13890	9.5
195.13892	5.1
213.14935	65.7
330.06430	4.1
357.13074	3.4
361.28210	3.7
393.19351	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	394.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06506	0.3
55.11823	0.3
59.01369	2.1
61.98828	100.0
71.01390	0.8
78.91872	0.8
83.89171	0.3
85.47125	0.3
89.02477	0.8
89.40265	0.3
98.19904	0.6
113.02435	0.5
117.57076	0.3
119.03526	0.4
129.13193	0.3
137.02437	0.4
142.17163	0.3
156.50098	0.3
166.73560	0.3
317.12567	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62449	0.5
52.85020	0.5
53.38735	0.5
59.01377	3.7
60.01708	0.4
61.98826	100.0
69.24396	2.4
69.24831	1.6
71.01383	0.8
75.43739	0.5
75.93593	0.4
84.71910	0.4
89.02480	0.4
93.03503	0.4
94.53043	0.4
101.02437	1.1
135.04510	0.6
175.51067	0.5
209.89418	0.5
214.13986	0.4
232.74670	0.5
250.38048	0.5
261.48688	0.4
262.13849	0.7
264.87094	0.4
315.54129	0.4
355.25620	0.4
404.78476	0.4
404.84412	0.5
417.60892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51429	2.9
59.01378	47.2
61.98829	100.0
71.01376	33.1
71.51246	3.6
72.99302	6.8
73.02948	6.6
75.00872	8.0
83.01418	5.5
85.02959	10.4
87.00881	5.9
88.98830	3.9
89.02445	28.6
99.00867	4.9
101.02460	18.1
101.06063	4.1
113.02422	13.4
114.94353	3.3
119.03487	8.8
125.02422	2.9
131.03471	4.4
153.05605	6.7
161.04518	11.9
164.12419	2.8
179.05559	4.3
188.04701	3.4
189.05560	43.2
215.09178	6.3
217.98657	3.5
232.19975	3.0
263.11298	11.5
333.11819	4.2
335.13516	3.2
365.14331	3.6
395.10785	5.6
395.15182	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	395.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56314	0.2
59.01369	0.7
61.98824	0.3
70.53477	0.5
71.01389	0.2
72.99297	0.2
79.95730	2.2
96.96004	100.0
97.95946	0.3
180.73390	0.2
190.96718	0.2
395.21021	48.3
396.16205	0.3
396.21335	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	395.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18890	0.2
57.90958	0.2
59.01378	0.3
69.20075	2.0
79.95728	1.9
88.99687	0.2
96.96004	100.0
97.95944	0.3
108.80670	0.2
124.01389	0.2
168.54840	0.2
170.65117	0.2
242.71367	0.2
395.21021	46.5
396.21335	5.3
413.21722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62479	0.2
69.15163	2.1
71.39803	0.2
79.95734	2.0
80.66586	0.2
87.28719	0.2
96.96004	100.0
97.95961	0.6
98.20636	0.3
103.22188	0.2
119.97655	0.2
150.89493	0.2
158.86115	0.2
194.60541	0.2
351.90137	0.2
395.21017	45.9
396.21408	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	395.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06060	0.2
59.01376	0.3
61.98827	1.6
71.52711	0.2
79.95734	2.0
96.96005	100.0
97.95940	0.4
98.95585	1.8
98.96426	0.4
122.37864	0.2
135.34892	0.2
174.07002	0.2
301.85394	0.2
301.88864	0.2
336.94000	0.2
361.75943	0.2
395.21033	44.6
396.21338	4.7
397.71350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47960	0.5
51.06898	0.5
59.01376	100.0
59.06186	0.4
60.01717	0.7
63.84872	0.6
67.51638	0.5
69.24418	0.5
71.01369	4.2
71.53671	0.7
73.02952	1.9
83.01388	1.6
85.02953	2.6
99.00863	1.0
101.02434	5.4
113.02452	2.3
154.14925	0.5
159.03040	0.9
161.04565	3.5
211.14682	0.7
213.15184	0.5
325.61456	0.5
335.20718	19.4
336.21277	1.0
372.12744	0.5
390.77405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97719	0.9
53.64145	0.9
54.92726	0.7
55.69899	0.8
59.01073	1.3
59.01376	34.1
61.98825	100.0
69.26328	5.3
69.26737	1.8
71.01382	13.7
72.99274	1.2
73.02950	1.9
75.00874	4.3
81.07163	0.9
83.01379	1.6
85.02946	4.0
89.02437	18.3
101.02441	9.2
109.06562	1.0
113.02463	5.6
119.03497	7.9
129.96094	0.8
137.67758	0.8
143.03502	1.8
148.94746	0.8
151.40031	0.9
153.05566	12.8
157.08673	1.6
159.02861	0.9
161.04524	5.0
179.05598	7.3
212.14894	0.9
214.37831	0.9
243.24854	0.8
319.13959	21.5
333.11880	25.0
334.12213	2.4
337.15118	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	396.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93921	0.8
59.01374	21.2
60.94574	0.7
61.98827	100.0
71.01392	4.1
71.51786	0.9
73.02941	3.2
83.01384	0.8
83.39777	0.7
88.98800	3.3
89.02450	3.6
96.96006	0.9
101.02447	4.2
102.68760	0.7
108.49497	0.8
109.08677	0.7
113.02448	1.5
119.03529	0.8
133.02985	1.8
134.03734	2.1
135.04533	1.0
145.02930	1.8
161.02336	3.9
161.04520	1.7
163.03935	0.9
167.30185	0.8
175.03931	1.7
178.02684	1.2
193.05029	4.2
239.63695	0.8
240.21440	0.8
247.11708	1.1
251.07661	2.6
260.18427	0.8
292.52304	0.8
396.13589	1.0
397.11133	2.5
397.15533	1.0
403.95355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77753	1.1
55.01865	1.4
57.03434	1.7
59.01378	100.0
60.01720	1.0
61.98829	37.5
63.99240	1.3
66.45284	1.3
71.01379	32.5
71.50784	1.3
72.99282	1.5
73.02944	8.0
75.00855	3.4
83.01375	3.3
85.02950	10.8
87.00865	2.4
89.02437	23.2
94.34847	1.1
95.01375	1.3
99.00852	3.6
101.02432	23.4
108.04555	5.5
111.04507	2.2
112.60564	1.0
113.02448	17.1
119.03506	7.7
137.02412	4.2
139.07715	1.2
143.03481	2.7
153.05527	1.6
154.05830	1.3
157.08690	11.2
159.02910	2.2
161.03268	1.8
161.04543	24.6
173.11327	1.3
179.05569	3.9
192.06650	1.7
214.91907	1.4
289.50937	1.2
319.13956	99.8
320.14249	8.7
322.00256	1.3
334.12177	5.6
337.15070	9.5
384.26620	1.4
398.10867	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	398.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
60.01695	0.4
61.98827	100.0
62.98508	0.3
63.99242	0.5
65.65498	0.3
70.72097	0.3
70.83071	0.7
71.01388	0.4
75.00858	0.7
85.02954	0.5
87.00898	0.6
89.02444	0.7
101.02448	2.0
112.23982	0.2
117.29800	0.3
119.24191	0.3
130.08719	2.3
151.04021	0.4
152.99625	0.3
161.75793	0.3
179.05611	0.3
254.56920	0.3
338.15308	0.7
366.71921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	17.0
61.98828	100.0
65.03955	41.8
69.32758	7.1
69.33167	11.7
71.01369	8.7
72.99308	2.6
75.00876	22.3
75.99588	2.6
83.57040	2.6
85.02959	6.4
87.00877	5.7
89.02447	6.1
93.03441	23.9
95.05048	4.6
101.02461	6.0
111.04510	3.8
112.67381	2.5
119.03531	3.7
119.05021	5.9
121.06612	15.4
125.02537	2.7
133.02939	7.7
135.04527	2.7
139.04004	84.4
140.04346	4.8
150.03253	2.7
151.03944	2.8
161.02428	35.4
162.03065	3.0
163.04005	6.9
165.05582	19.5
173.04562	8.3
179.03702	2.6
183.06615	80.6
191.05602	64.3
195.06642	4.1
237.06102	33.1
318.08359	3.4
337.09341	18.6
363.16763	3.5
399.09268	26.1
399.13962	4.7
423.64987	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	399.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01711	0.8
61.98829	1.1
64.55817	0.6
69.39019	3.5
69.39426	1.2
71.01382	1.6
72.99307	0.8
73.02959	0.8
77.95123	0.5
87.00857	0.9
89.02419	0.7
101.02451	0.6
111.00211	0.7
111.00865	3.4
113.02400	0.6
120.99696	0.8
124.04391	0.5
135.02965	0.7
137.02467	0.7
139.63861	0.5
150.03239	0.8
156.60506	0.6
161.02455	1.1
173.00917	0.6
399.12955	0.7
399.20386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.3
58.09664	0.3
59.01373	2.0
61.98817	0.4
71.01376	3.3
73.02949	0.7
79.95744	0.8
81.44640	0.2
83.01385	0.4
85.02950	1.4
87.00913	0.3
88.67376	0.2
89.02417	1.3
96.96002	26.3
99.95943	0.2
101.02449	2.3
102.28117	0.2
113.02438	1.6
119.03490	0.3
124.89886	0.3
136.89409	0.2
159.02959	0.3
159.06686	0.3
159.43051	0.2
161.04578	1.7
178.99771	0.3
183.16386	0.2
265.36624	0.3
350.46796	0.2
399.18408	100.0
400.18741	13.4
400.24146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07413	0.3
54.36845	0.3
59.01376	3.6
61.98825	100.0
69.53038	2.0
71.01376	1.5
73.02935	0.4
81.87811	0.4
82.36446	0.3
83.01427	0.3
85.02942	0.7
87.00866	0.8
89.02460	1.0
99.00883	1.2
101.02439	1.1
109.02986	0.3
111.00832	0.4
113.02458	0.7
115.00368	1.6
120.45166	0.3
123.04493	0.4
133.02972	1.3
135.04552	1.1
136.05344	0.5
137.06093	0.5
139.00360	0.9
149.06097	1.2
150.03250	0.9
157.01389	0.5
161.02429	5.3
165.01973	0.4
175.02480	0.8
175.03847	0.3
177.01917	2.5
179.03491	0.7
191.05600	0.5
203.10794	0.6
206.02203	0.5
231.58572	0.3
233.04449	2.2
237.04016	0.6
277.03473	5.4
278.04016	0.4
281.10419	0.7
293.06641	0.5
310.08749	1.2
319.04495	2.9
337.05554	2.5
383.09802	2.1
400.05197	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	400.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
61.98826	100.0
69.80560	1.2
69.80960	0.7
71.01391	0.9
73.02962	0.3
83.01366	0.3
89.02407	0.5
99.00893	1.0
101.02443	0.6
109.02959	0.5
115.00383	1.2
133.02972	0.6
139.00336	0.3
149.06026	1.3
159.02934	0.5
161.02443	2.8
175.02460	1.1
177.01883	2.5
189.05696	0.3
191.05615	0.5
206.02246	0.5
219.02927	0.4
233.04526	2.2
237.04050	0.7
257.80939	0.3
277.03506	6.8
278.03860	0.7
281.10370	0.5
319.04532	2.9
320.05151	0.3
337.05640	2.9
348.40305	0.4
383.09909	0.8
400.05081	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	400.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83781	1.2
53.90613	1.4
54.39833	1.4
55.01863	1.3
56.21129	1.3
57.03436	1.4
57.24192	1.5
58.00589	1.6
59.01069	2.7
59.01376	82.2
61.98826	100.0
65.03976	2.8
66.04294	1.7
71.01378	30.6
72.99323	1.7
73.02935	18.9
74.93338	1.4
83.01371	7.4
85.02956	15.3
87.00867	6.2
89.02437	14.2
93.03452	19.9
95.01389	3.7
98.20683	2.8
99.00903	2.3
101.02442	24.6
111.04505	2.5
113.02435	12.6
119.03499	4.1
119.05012	21.0
127.03875	1.8
133.02960	2.3
136.01730	1.7
137.06091	2.1
139.04015	7.5
140.04308	3.4
143.03494	1.8
149.04552	1.9
161.02403	9.2
161.04509	7.2
163.04022	7.0
173.04491	8.4
179.07138	2.5
179.32297	1.4
183.06485	2.6
184.06972	3.3
191.05605	93.0
192.05923	3.5
197.96410	1.6
221.08176	2.3
228.97511	1.5
247.31453	1.5
281.10294	24.2
299.11285	5.3
337.09235	23.6
341.12381	7.4
357.13312	2.4
383.09747	6.5
401.18124	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	400.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50743	0.7
58.00233	0.7
59.01368	4.4
61.98820	7.0
69.44724	5.4
71.01369	1.9
73.02964	0.9
74.17233	0.9
85.02950	5.6
87.00871	1.5
87.37479	0.9
89.02448	1.4
93.03463	2.4
101.02421	0.9
119.05048	1.3
127.03962	1.0
133.03030	0.8
137.73636	0.9
153.54262	1.0
161.02423	1.4
162.02785	1.6
163.03996	2.3
164.04628	1.1
173.04547	1.6
179.03525	1.3
191.05592	100.0
192.05928	3.8
193.91612	0.8
197.08389	0.9
253.65611	1.0
255.98032	0.8
337.09244	18.3
338.09610	2.7
353.98273	0.9
391.68445	0.9
400.13284	2.7
401.18243	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89145	0.9
55.01934	1.0
59.01378	12.5
70.64562	1.5
70.64896	1.5
71.01378	8.9
71.78928	0.9
73.02935	1.7
85.02949	2.6
87.00874	100.0
89.02446	10.2
100.91712	1.0
101.02435	5.1
108.02177	3.5
113.02425	4.5
119.03407	2.3
123.04498	1.3
138.03281	1.3
149.02429	2.2
151.00331	1.3
153.05608	1.4
156.23001	1.1
159.02950	1.5
161.04507	2.2
164.04770	7.4
165.05487	1.4
166.02731	2.6
176.04800	1.0
177.01875	1.4
178.06422	1.1
179.03514	6.8
179.05580	4.0
179.07120	15.0
181.04987	4.2
193.05035	4.2
194.05876	5.2
205.04985	1.2
209.08121	7.9
231.03024	2.1
234.38297	1.3
237.07623	1.8
241.07162	2.2
249.29913	1.2
250.04770	1.1
265.07144	32.1
266.07321	2.3
295.08276	1.3
325.09286	8.4
326.09396	2.1
341.10880	14.8
401.10843	40.0
402.11218	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	401.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78913	1.4
59.01363	4.4
68.99815	1.8
70.94014	3.5
71.01365	5.6
73.02934	3.5
74.08206	1.4
75.22756	1.4
83.01360	1.7
85.02940	5.9
87.00869	51.4
87.75366	1.5
92.55918	1.5
101.02411	3.2
101.52402	1.6
110.05506	1.5
113.02410	2.4
116.59064	1.3
121.50536	1.5
123.00854	6.2
129.01894	1.9
131.03481	1.4
138.03210	2.0
147.04539	1.7
149.02411	3.2
151.00316	3.6
153.05505	2.9
154.34561	1.5
159.04347	1.5
160.23071	1.7
161.02425	8.7
163.03984	19.6
164.04776	15.0
165.05505	3.4
166.02750	7.4
175.03879	3.2
176.04749	12.9
177.01947	3.7
177.05237	2.4
178.06329	22.4
179.03525	8.8
179.07137	32.6
180.07411	2.1
181.05032	8.7
187.04054	3.5
188.04703	2.8
190.02730	3.7
191.03474	24.4
191.07112	8.8
192.04018	2.3
193.05006	7.2
193.08621	3.5
194.05786	6.8
202.06404	1.8
203.03433	7.3
204.04166	2.6
205.05003	10.9
206.05763	6.7
207.02930	1.6
207.06583	1.8
209.08218	10.6
218.05865	4.6
219.02943	5.1
219.06358	1.6
220.03545	2.6
221.04556	3.9
221.08142	6.8
229.01463	2.1
231.03084	2.2
234.05247	4.5
235.06131	4.2
236.06772	2.8
237.07605	4.5
238.04767	1.7
247.02492	5.0
247.06100	3.5
249.07657	6.1
250.04744	2.9
251.09212	2.3
262.04782	10.6
262.07394	2.0
265.07141	56.9
266.07538	4.6
277.07117	29.7
278.07474	2.9
295.08194	71.0
296.08606	5.1
325.09335	2.8
337.09537	2.7
337.44070	1.6
341.10770	1.6
355.10333	22.7
356.10611	3.6
383.09811	9.2
401.10825	100.0
402.11401	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	401.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	22.2
59.41893	1.0
62.73948	1.1
63.46861	1.2
69.21259	1.2
69.66502	3.6
69.66914	3.4
71.01376	16.8
72.99286	1.9
73.02954	2.7
80.42054	1.1
85.02949	4.8
87.00867	100.0
88.01201	1.9
89.02445	23.4
95.01373	1.6
101.02439	8.7
108.02150	1.7
113.02422	6.2
119.03502	4.8
123.00945	1.4
131.03514	1.4
143.03360	1.6
161.02409	2.8
161.04544	3.1
163.04045	4.7
164.04756	5.0
165.05579	1.7
166.02707	2.8
173.89626	1.3
176.04761	4.5
178.06343	4.4
179.03464	3.6
179.05573	7.9
179.07118	13.6
181.05013	3.0
191.03488	3.9
191.05544	2.0
191.07144	2.9
193.04991	1.6
193.08385	1.3
203.03439	1.4
205.05119	2.8
209.08115	3.5
220.22971	1.3
234.05356	1.9
241.07161	1.9
249.07550	2.7
262.04718	1.7
265.07159	26.3
266.07416	3.6
276.83453	1.2
277.07101	6.2
295.08228	13.2
306.16666	1.3
323.86774	1.3
325.09140	3.0
341.10846	34.8
342.10922	1.6
355.10239	5.2
357.08499	1.3
383.09998	1.8
401.10825	34.8
402.11224	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	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51633	0.4
57.86176	0.4
58.89596	0.3
59.01114	0.5
59.01382	7.2
61.01425	0.4
70.25038	0.8
70.25420	0.9
71.01383	4.4
73.02928	0.8
85.02955	1.3
87.00873	100.0
88.01208	1.9
89.02443	5.8
89.33696	0.4
97.02950	0.5
101.02446	2.4
108.02173	1.5
111.00854	0.4
113.02445	1.3
119.03531	1.9
123.04492	0.7
131.03560	0.4
143.03513	0.4
153.05544	0.4
159.02948	1.3
160.75574	0.4
161.02492	0.5
161.04543	1.2
179.05597	3.1
179.07079	0.9
191.03366	0.4
194.05774	0.5
241.06987	0.6
265.07178	1.3
295.08301	0.8
325.09402	0.5
341.06784	0.6
341.10892	11.9
342.11270	1.1
346.04071	0.4
355.10535	0.7
355.95053	0.4
383.09851	0.9
401.10883	3.6
402.11292	0.6
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
57.03440	1.9
59.01377	40.7
61.98502	0.8
61.98825	17.1
69.51714	5.3
71.01380	20.6
73.02943	12.4
74.87303	0.8
75.00851	1.0
76.41579	0.7
83.01376	3.4
85.02940	8.8
87.00887	3.7
87.04539	0.8
89.02439	12.7
95.01366	2.4
99.00871	2.2
99.04504	1.5
101.02437	13.3
103.03982	2.7
108.02168	2.1
113.02432	10.4
117.37165	0.7
119.03506	5.3
119.04998	4.1
121.02951	1.0
123.04527	1.0
125.02456	1.0
131.03465	1.1
132.02147	1.5
133.02957	28.3
135.03513	1.0
135.04514	19.2
136.04988	0.9
137.06065	1.4
138.65189	0.8
143.03401	1.8
146.03702	1.8
153.09248	1.5
156.09247	0.8
161.02428	100.0
161.04561	3.8
162.02713	4.4
163.03967	0.9
164.04692	2.4
168.62617	0.9
177.09154	1.7
178.06311	0.9
179.03450	7.9
179.05681	1.4
179.06999	4.2
191.05513	1.3
203.10820	0.8
221.08205	0.9
221.11775	3.7
281.10284	4.0
297.09756	2.7
299.11462	1.9
315.10721	4.2
341.10858	3.1
350.85815	0.8
357.11911	3.1
383.09796	51.5
384.10092	4.7
401.10437	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	401.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54532	1.3
59.01377	100.0
61.98813	2.4
70.73487	1.3
71.01377	26.3
73.02940	23.6
83.01379	7.7
85.02946	8.9
87.00928	1.5
89.02434	14.9
95.01382	1.9
101.02437	31.0
113.02442	15.7
119.03614	6.6
119.05017	27.7
125.02457	1.4
132.66595	1.5
134.88048	1.6
137.06087	1.9
143.03485	2.6
149.04552	3.7
152.04434	1.6
157.49890	1.3
161.02435	3.1
161.04550	9.6
173.96762	1.4
281.10291	29.7
282.10602	2.8
299.11264	8.7
341.12436	10.3
342.12689	1.6
357.95081	1.4
383.09778	1.9
401.18109	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	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50241	0.6
55.01871	3.9
57.03444	4.3
58.00575	1.8
59.01374	40.3
61.98824	0.7
62.66511	0.5
64.53726	0.5
69.03444	1.5
69.78507	2.9
71.01378	71.6
72.01711	0.6
72.99297	2.3
73.02941	25.6
73.23298	0.6
75.00857	1.8
83.01382	12.0
85.02945	41.4
86.00072	1.0
87.00864	2.4
89.02436	17.8
94.62214	0.5
95.01375	5.7
97.02925	3.0
98.20695	0.6
99.00266	1.0
99.00871	11.2
99.04471	0.6
101.02436	65.4
102.02803	1.0
107.05045	0.8
111.00854	0.7
113.02445	26.9
113.39725	0.6
115.03985	1.4
119.03527	3.6
122.46985	0.5
125.02417	5.2
129.01936	1.6
131.03487	1.9
143.03490	6.0
149.04517	1.7
159.02968	6.4
161.04544	47.3
162.04857	1.7
179.05528	1.8
191.05515	0.9
205.03511	1.2
221.08150	7.3
233.06668	2.3
269.10275	100.0
270.10608	8.0
293.08771	1.8
401.14508	37.0
402.15002	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	401.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.6
57.03448	4.3
58.00582	1.0
59.01375	28.4
68.99789	0.4
69.03451	1.1
69.25375	2.8
71.01377	57.1
72.01718	0.7
72.99314	2.2
73.02941	22.7
75.00873	1.4
81.03438	0.4
83.01379	10.9
85.02943	31.1
86.00120	1.0
87.00861	2.5
89.02437	8.4
95.01385	3.8
97.02949	2.0
99.00269	0.7
99.00877	8.9
100.39961	0.3
101.02435	49.3
102.02771	1.2
107.05031	0.8
111.00880	1.0
113.02442	24.1
114.02737	0.7
120.82328	0.4
125.02396	2.4
129.01938	1.1
131.03462	1.4
133.90880	0.4
143.03484	3.7
149.04550	1.2
159.02965	6.2
161.04543	45.3
162.04927	2.0
201.81406	0.4
205.03461	0.9
233.06735	0.7
256.73682	0.4
269.10272	100.0
270.10635	7.3
297.18491	0.4
401.14484	14.1
402.14703	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
57.03440	2.3
58.00589	1.1
59.01377	31.4
61.98804	1.5
69.03472	0.8
69.43680	4.2
69.44086	1.2
71.01378	36.3
73.02939	9.0
83.01383	3.1
83.05043	0.8
85.02950	20.6
87.00861	3.4
89.02432	6.0
92.61966	0.7
95.01392	7.0
96.98461	0.7
99.00877	2.4
101.02445	10.7
107.05019	1.0
109.06577	11.1
110.06902	1.0
113.02440	26.0
114.02768	1.1
119.03510	1.5
126.16695	0.7
135.04503	3.3
135.08151	33.4
136.08437	1.2
143.60548	0.9
143.73514	0.8
153.09204	26.3
154.09457	0.9
161.02446	1.7
161.04527	2.5
162.98203	0.7
171.64917	0.7
179.03392	1.0
179.07138	1.8
194.65669	0.8
197.08177	35.7
198.08522	1.9
209.93250	0.7
280.47821	0.7
312.69717	0.8
341.12363	100.0
342.12769	9.3
359.13458	12.8
401.14566	8.8
423.11703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52828	0.5
55.01856	0.6
59.01375	32.5
69.03439	0.9
69.39887	3.6
71.01010	1.1
71.01385	16.2
72.99312	0.8
73.02941	25.3
74.06847	0.5
78.06805	0.5
82.76593	0.6
83.01385	5.1
83.05045	1.1
85.02956	2.4
87.00874	6.9
89.02444	3.2
91.05534	0.8
93.03453	3.2
97.02960	0.7
98.19775	0.5
101.02435	12.7
105.07094	0.6
107.05010	1.0
109.06585	20.9
113.02436	4.8
117.07128	1.5
118.97261	0.5
119.03519	0.9
125.02415	0.6
133.02954	0.7
135.04573	4.2
135.08156	72.2
136.08478	2.9
143.03452	1.4
153.00003	0.5
153.09204	55.3
154.09563	2.4
161.02448	1.3
161.04536	2.6
161.84546	0.6
179.03508	2.1
179.07101	2.0
197.08177	100.0
198.08531	4.9
315.97302	0.5
341.12415	9.1
342.12625	0.5
353.88742	0.6
359.13403	6.1
401.14505	26.7
402.14792	2.7
405.03836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53024	0.6
55.01875	3.7
59.01374	1.1
71.01365	1.3
71.07873	0.8
82.27654	0.5
83.01380	100.0
84.01707	2.3
93.03467	2.4
108.02142	0.7
109.02959	2.0
121.02946	23.0
136.01646	2.5
137.01489	0.6
137.02461	6.4
146.03717	0.7
147.04491	2.0
151.03993	51.2
152.04370	2.9
153.01889	1.9
159.04517	0.9
161.02415	1.4
161.04817	0.5
161.06081	1.8
166.06335	51.0
167.06932	4.0
168.04128	2.5
175.04004	0.7
176.04694	2.0
177.05530	1.8
191.07137	1.9
198.03473	1.2
198.05312	23.3
198.16943	0.5
199.05702	1.3
200.59528	0.6
207.40073	0.5
209.08179	2.3
222.66527	0.6
225.07660	1.3
265.10764	3.0
265.80487	0.6
313.07013	0.8
313.36282	0.6
325.14420	1.3
327.12314	2.1
342.14923	1.0
371.11334	4.1
386.13672	22.7
387.14063	2.9
401.16000	71.5
402.16367	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74771	1.7
57.03449	4.2
58.00574	2.2
59.01377	100.0
61.98824	8.0
69.03456	3.6
69.13682	17.9
71.01382	32.8
72.99310	3.8
73.02949	12.7
83.01373	6.2
85.02946	17.2
86.00100	3.7
87.00870	2.5
89.02444	7.1
95.01388	2.2
97.02943	4.5
98.13802	1.9
99.00865	6.6
101.02434	13.3
101.15872	1.5
106.02311	1.6
108.53148	1.5
113.02453	8.6
119.03416	2.3
121.02936	6.2
125.02462	2.5
141.90648	1.5
143.03470	7.0
150.15477	1.7
159.02956	1.7
161.04520	8.7
213.14970	23.2
214.15295	2.7
225.14746	2.0
297.17014	4.8
313.20209	5.4
315.18106	7.0
341.10989	6.5
341.26910	2.4
357.19156	86.0
358.19403	9.5
401.17160	1.8
401.29147	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	401.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74771	1.7
57.03449	4.2
58.00574	2.2
59.01377	100.0
61.98824	8.0
69.03456	3.6
69.13682	17.9
71.01382	32.8
72.99310	3.8
73.02949	12.7
83.01373	6.2
85.02946	17.2
86.00100	3.7
87.00870	2.5
89.02444	7.1
95.01388	2.2
97.02943	4.5
98.13802	1.9
99.00865	6.6
101.02434	13.3
101.15872	1.5
106.02311	1.6
108.53148	1.5
113.02453	8.6
119.03416	2.3
121.02936	6.2
125.02462	2.5
141.90648	1.5
143.03470	7.0
150.15477	1.7
159.02956	1.7
161.04520	8.7
213.14970	23.2
214.15295	2.7
225.14746	2.0
297.17014	4.8
313.20209	5.4
315.18106	7.0
341.10989	6.5
341.26910	2.4
357.19156	86.0
358.19403	9.5
401.17160	1.8
401.29147	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	402.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48199	0.9
59.01376	43.6
60.01697	1.9
61.98824	78.4
71.01377	16.1
71.51987	1.1
72.99304	3.0
73.02934	4.5
75.00877	1.5
83.01400	2.0
85.02943	6.3
87.00870	2.4
88.98775	1.1
89.02433	12.5
90.02802	1.0
93.03452	5.7
95.01379	1.2
101.02430	9.2
105.03477	1.5
107.05005	1.9
108.02211	1.1
109.02956	1.8
111.00874	1.1
113.02454	6.2
118.50084	1.0
119.03497	5.7
119.04997	1.1
125.02430	1.2
131.03477	0.9
133.02957	6.5
135.04539	1.3
136.01617	0.8
137.02440	12.8
142.67091	0.8
143.03477	1.1
151.04010	1.1
153.01904	2.0
161.02409	2.1
161.04530	1.8
161.09676	3.8
162.02794	1.3
164.04744	1.0
165.05367	0.9
173.04463	1.3
177.01915	100.0
178.02289	5.3
179.03455	1.5
179.05562	1.1
179.06989	1.4
179.10713	1.7
181.05106	1.8
183.02957	3.4
189.44931	0.8
191.05629	3.7
201.69400	0.9
205.12259	1.8
223.06224	0.9
223.09729	5.0
223.13336	1.5
241.14322	0.9
282.10605	2.4
339.07181	25.0
340.07321	2.7
358.08484	1.5
384.09970	1.3
403.12201	6.8
403.16409	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
60.85794	1.0
61.98826	100.0
69.58939	1.3
69.59345	1.2
70.34167	3.7
80.75871	1.1
85.06133	1.2
90.43215	1.1
94.03831	1.1
98.73035	1.0
163.11299	6.0
339.23077	6.6
403.26654	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.5
61.98825	9.9
66.57089	0.9
69.27997	8.6
70.06899	0.8
71.01379	2.7
73.02942	4.7
76.75331	0.8
83.01359	1.0
83.05949	1.0
85.02936	1.2
89.26974	0.9
91.88966	1.0
94.26440	1.2
95.01350	1.1
101.02428	3.1
113.02353	1.2
122.06078	4.6
132.04553	8.6
146.02519	1.2
147.03249	2.2
148.04024	3.2
149.04471	1.2
150.05594	2.8
154.62524	1.1
158.02498	2.7
160.04036	4.5
161.04594	1.4
162.05615	1.5
164.03348	1.1
174.05608	1.2
175.02737	7.8
176.03499	11.1
184.07693	1.5
190.05090	11.0
191.05489	1.0
192.02982	1.7
198.04193	1.0
199.08746	1.0
204.03087	6.7
206.04533	2.0
209.07103	1.6
211.12387	1.4
212.05934	1.9
212.10753	2.0
213.06689	1.2
215.11899	2.4
220.02628	1.1
223.08821	2.4
224.07451	1.2
224.09453	5.9
225.08012	1.2
227.04776	1.2
227.08264	7.0
228.08340	1.2
229.06361	1.2
234.04140	2.7
238.07169	1.3
239.08179	2.9
239.11943	9.3
240.10226	4.2
241.09825	6.1
243.07713	1.6
243.11382	4.4
253.06123	10.1
253.08664	1.1
253.09856	1.3
254.06613	2.2
254.10571	1.3
255.03937	1.2
255.07718	3.9
255.11366	4.5
265.06219	1.3
265.09824	2.5
266.06918	2.0
267.07684	4.7
267.97156	1.1
268.08493	7.1
269.09332	5.7
271.07278	5.2
272.07733	1.3
281.09204	6.7
283.07779	1.1
283.10846	31.0
284.11276	2.9
294.06433	4.0
297.05130	3.3
299.10458	3.0
309.08835	17.0
310.09012	1.8
312.07498	1.1
315.13376	2.3
327.09811	32.6
328.10052	2.2
341.11365	5.8
343.08798	1.0
353.07724	4.3
359.12436	4.4
371.08804	21.4
372.08917	1.2
385.10425	4.3
403.11398	100.0
404.11792	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	403.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.8
61.98821	5.6
67.23530	0.8
69.36095	2.8
69.36519	3.7
71.01375	2.7
72.99274	0.8
73.02941	3.7
78.22414	0.9
79.52653	0.9
84.45691	0.9
86.62904	0.8
87.37003	0.8
101.02444	2.6
120.04562	1.2
122.06105	4.1
130.02971	1.0
131.03641	0.9
132.04553	9.0
135.03055	1.3
135.04509	0.9
146.02399	1.3
147.03253	4.3
148.04024	3.2
150.05563	2.0
158.02455	2.6
160.04039	5.2
161.02477	1.5
162.05629	2.6
164.03523	1.1
165.22615	0.9
174.05568	1.9
175.02690	6.4
176.03528	12.4
184.07741	1.2
187.04967	0.9
187.07576	1.5
190.05070	10.0
192.06622	1.8
203.02148	1.6
204.02983	9.1
209.07051	1.2
209.79448	0.9
211.12411	1.0
212.05898	2.6
212.10808	2.6
213.06752	1.3
215.11888	1.8
220.02448	1.0
223.08711	1.1
224.07437	0.8
224.09457	4.1
226.07419	1.1
227.08232	6.8
234.04123	3.2
239.08270	1.9
239.09529	1.1
239.11859	10.6
240.10312	3.2
241.05855	1.0
241.09802	3.5
243.07707	2.4
243.11241	5.3
250.07500	1.3
253.06169	9.7
253.09869	2.5
254.06859	2.0
255.04074	1.4
255.07692	5.0
255.11362	4.1
256.04709	1.4
256.08832	1.1
265.06256	1.1
265.09695	1.3
266.06882	2.3
267.07700	4.0
268.08444	6.0
269.09390	4.5
271.07217	3.7
271.10727	1.7
281.09305	8.8
283.07642	2.2
283.10828	30.7
284.11343	1.5
293.05655	1.3
294.06393	4.2
297.05124	2.7
299.06677	1.8
299.10248	2.6
309.08752	16.6
312.07468	1.5
315.13348	2.0
327.05902	1.8
327.09799	32.8
328.10144	3.4
331.09268	1.0
341.11441	6.7
343.09308	1.0
353.07806	3.4
359.12457	4.1
371.08807	22.1
372.08945	2.8
373.95020	0.9
385.10315	4.0
403.11371	100.0
403.23108	3.7
404.11707	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	403.1241
Annotation	7,8-Didehydropenstemoside
Peak:m/z	Relative Intensity
59.01379	16.7
64.87640	1.6
65.03955	21.3
67.01883	6.1
68.99810	39.0
70.84814	3.5
71.01366	13.8
73.02938	2.5
83.01381	3.6
85.02959	4.2
89.02439	5.8
91.05511	4.9
93.03452	6.6
95.05023	5.9
99.00896	1.7
101.02431	70.2
103.05573	1.9
105.03450	2.4
109.06565	2.4
111.00868	2.1
113.02427	3.4
113.53001	1.7
119.03512	2.9
119.05022	31.0
121.02943	3.5
121.06528	2.2
127.03986	8.3
135.04539	2.1
137.06039	3.8
139.03995	100.0
140.04330	4.8
147.04501	29.8
163.03987	2.1
164.04776	2.5
165.05559	15.2
179.07098	14.6
191.03410	2.2
209.04504	4.4
212.22749	1.6
223.06090	18.1
241.07166	19.8
242.07452	2.2
283.08127	2.5
327.10895	5.3
359.13525	2.1
371.09760	12.3
403.12402	95.9
404.12936	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	403.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
57.03440	1.4
58.00583	0.8
59.01375	34.2
60.01718	0.6
61.98825	29.6
67.01872	0.7
68.99770	0.7
69.42612	5.8
71.01014	1.1
71.01379	17.6
72.99314	2.3
73.02940	1.7
83.01375	3.2
85.02953	5.8
87.00869	1.9
89.02442	15.3
93.03458	2.5
95.01366	4.4
96.96011	1.1
98.19862	1.2
99.00867	1.2
101.02437	10.6
101.25004	0.8
104.01561	0.7
107.05029	1.4
108.02190	0.9
109.02948	1.7
111.00874	3.5
113.02431	7.5
119.03502	7.1
119.04988	1.5
121.02949	1.8
123.00877	14.8
124.01640	1.0
127.00390	3.1
133.02921	1.5
135.04529	1.6
135.08151	1.8
135.84540	0.7
136.98811	2.3
137.02429	8.9
137.06064	0.9
138.03230	7.1
139.00369	8.8
139.03987	2.1
151.03949	1.6
152.04782	1.9
153.01903	2.0
153.05551	3.3
154.02681	1.2
161.02422	5.5
161.04518	1.1
161.09666	3.3
165.01900	9.8
166.02647	1.1
177.01973	0.9
178.02342	2.9
179.03500	3.9
179.10786	1.3
180.04243	5.0
183.03026	1.7
193.01395	19.4
194.01718	1.0
195.06670	1.2
207.03000	0.9
208.03743	39.9
209.04129	2.5
223.06090	100.0
223.09705	4.1
224.06383	7.0
340.07269	1.0
341.08679	4.1
368.13266	1.2
403.12189	9.5
403.16125	14.1
404.12222	1.2
404.16440	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	403.1608
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
52.63242	1.3
58.62855	1.4
59.01374	61.2
60.01707	1.6
61.98826	51.3
69.03452	3.7
69.52067	10.3
71.01376	19.4
73.02921	6.9
80.44157	1.4
83.01374	2.5
85.02951	11.4
87.00871	3.6
88.98816	2.4
89.02450	10.8
95.01382	1.7
96.95998	1.4
98.20624	2.8
99.00849	1.5
99.04540	2.2
101.02435	14.2
103.46583	1.3
109.02912	1.8
113.02428	7.9
119.03472	4.4
121.06544	2.7
123.00859	3.9
123.04513	2.5
125.02403	3.9
127.14129	1.4
135.04510	7.7
136.05255	3.1
137.06061	2.4
143.03358	1.6
145.06555	1.8
149.06003	2.6
150.06854	17.8
151.07622	9.8
153.01868	2.3
161.02422	10.7
161.04526	5.0
162.02768	2.1
162.06854	20.3
163.02882	1.7
163.07631	23.5
165.05531	3.1
166.06274	1.8
177.05540	1.8
179.03505	8.0
179.10754	2.4
180.07903	68.2
181.08676	100.0
182.09050	7.4
183.02946	7.0
193.04953	2.6
221.04506	4.5
223.09642	3.0
227.39345	1.5
248.68671	1.4
251.05504	3.2
281.06589	4.6
341.08743	5.1
343.13971	15.6
385.10327	5.7
403.16028	73.1
404.16364	9.2
422.29294	1.5
428.72577	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	403.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24572	0.3
55.01874	3.5
56.02225	0.3
59.01361	0.8
61.98819	0.9
66.24120	0.3
67.47147	0.3
71.01373	0.8
83.01382	100.0
84.01718	2.0
93.03440	0.4
98.20668	0.8
105.92996	0.3
121.02951	14.2
122.03262	0.7
123.00871	3.3
136.05290	27.3
137.05635	1.0
138.03221	1.8
138.34698	0.3
149.06026	0.4
153.17337	0.3
160.05283	0.4
161.06068	2.8
167.07045	0.3
168.04266	8.7
169.04631	0.4
175.07623	6.6
176.08087	0.4
195.06659	0.5
219.06529	0.4
235.09729	22.7
236.10081	1.5
279.08835	1.5
403.17621	3.3
410.04187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01707	1.4
61.98832	1.6
69.31287	2.6
71.01377	2.3
72.99309	0.3
73.02940	0.7
83.01392	0.5
85.02956	0.9
89.02454	0.8
99.00839	0.3
101.02431	1.4
113.02460	0.5
139.03986	0.5
153.89174	0.3
161.04636	0.5
199.13359	0.4
204.06566	0.3
267.11371	0.8
280.08438	1.7
295.10809	3.4
327.13419	2.0
339.09995	1.0
343.17560	0.8
361.18640	2.7
371.12375	1.6
403.14972	1.5
403.19876	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	403.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18661	0.5
51.91098	0.4
59.01374	100.0
60.01696	1.3
61.98824	7.4
63.88342	0.5
71.01385	1.6
71.53808	0.6
73.02971	0.6
75.58341	0.4
85.02932	0.8
85.83572	0.5
89.02448	0.8
98.30263	0.5
101.02441	0.6
101.06084	1.1
113.59135	0.5
126.68981	0.5
133.02943	0.5
161.02399	0.5
217.34036	0.5
238.06804	0.6
306.07068	0.5
403.13763	1.0
403.27106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71674	6.9
59.01369	26.2
61.98829	100.0
72.82493	7.6
85.35290	7.5
87.19221	7.7
181.05055	7.9
241.51646	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	404.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61370	0.3
59.01375	16.5
60.01708	1.0
61.01600	0.4
61.98828	100.0
71.01382	0.6
71.53307	0.5
73.02951	0.4
78.13887	0.3
83.01377	0.4
121.02973	0.6
137.02446	0.7
158.62721	0.3
180.91731	0.4
209.70706	0.3
287.26016	0.4
317.11420	0.8
404.17920	0.4
405.21176	0.4
419.31247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
61.98827	100.0
70.33285	0.4
70.33676	0.4
78.40431	0.2
89.22418	0.2
105.86880	0.2
126.70195	0.2
141.87473	0.2
144.03052	0.3
199.55968	0.2
270.08084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05730	0.2
57.22203	0.3
61.98827	100.0
64.65252	0.3
71.32467	0.5
108.84000	0.2
111.76374	0.4
113.96664	0.3
120.72179	0.3
125.02152	0.3
144.66824	0.3
172.38728	0.3
178.22202	0.2
183.06778	0.4
234.77359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79881	0.3
61.98827	100.0
65.54268	0.3
69.26891	2.7
69.27218	0.6
71.50098	0.3
91.48180	0.3
120.50045	0.3
132.58035	0.3
139.39453	0.4
139.54459	0.3
159.89160	0.3
168.17593	0.3
271.41498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74389	1.2
58.02972	8.3
59.01379	18.9
61.98825	10.4
69.27445	10.6
70.02978	2.4
71.01378	6.8
72.00909	1.5
73.02940	1.5
74.02472	22.3
81.04584	1.3
82.02968	1.7
85.02954	1.2
86.02496	7.1
86.06078	1.5
86.99090	1.5
87.05637	6.5
89.02446	3.3
90.00172	3.2
97.04049	2.3
98.04289	1.2
98.05051	1.3
99.05636	18.7
101.02435	2.2
101.07168	2.4
102.05583	2.5
107.06110	1.8
109.04088	1.5
111.05679	2.0
112.04041	2.0
113.02440	4.5
113.07201	1.5
123.05582	1.4
125.03539	2.0
127.05151	2.8
128.03537	46.4
129.03906	1.5
131.04628	1.8
135.05652	3.0
141.06665	5.3
143.04619	67.1
144.04955	1.7
145.06219	1.8
146.04562	3.7
146.77724	1.3
153.06682	3.6
160.00734	19.2
161.04611	2.2
166.09805	2.0
167.04652	6.1
167.08191	1.7
171.07587	1.3
177.03380	8.0
179.04649	12.4
181.06148	3.0
183.10219	1.5
185.05635	2.5
192.07799	3.0
197.05702	2.8
210.08823	12.9
225.32898	1.3
242.07799	2.1
254.07820	18.0
272.08835	32.8
273.09094	1.3
288.06543	10.4
306.07632	100.0
307.07864	7.5
405.21619	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86737	0.5
53.12210	0.6
59.01376	2.3
61.98826	100.0
66.27520	0.5
80.76994	0.6
149.41914	0.5
165.32491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	26.6
61.98827	100.0
71.52195	1.5
76.14105	1.1
81.17210	1.1
105.53856	1.2
289.58160	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53119	3.1
59.01374	40.7
61.98818	20.5
63.34985	3.7
65.03954	17.8
66.84212	3.7
69.03449	12.0
71.01376	25.6
71.51273	4.9
72.99312	4.5
74.99104	4.4
81.03451	4.2
85.02953	10.6
87.00878	16.1
89.02457	17.3
90.12629	3.3
91.05545	5.3
93.03455	32.0
95.05032	8.8
95.45160	3.6
96.96030	3.8
99.00871	11.2
101.02458	13.0
103.00374	7.1
107.05019	6.7
109.06574	15.6
111.00950	3.2
111.04554	7.7
113.02458	13.1
119.03465	6.2
119.05010	22.7
121.02950	4.7
121.06582	11.6
133.06575	4.3
135.04494	6.5
137.02412	4.8
137.06081	51.3
139.04012	16.8
141.46202	4.0
153.05562	4.1
155.07135	9.5
163.03972	8.9
165.05489	5.8
167.10686	4.4
181.05040	72.4
183.06570	6.3
199.06105	13.8
207.03056	4.5
223.06114	4.2
225.04037	17.3
227.05611	6.3
283.77045	3.6
299.04187	5.3
337.98813	3.5
355.23126	3.5
359.09854	7.5
361.11374	25.0
377.85880	3.7
387.09235	6.3
405.10266	100.0
405.15817	6.3
405.17944	4.6
406.10635	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	405.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03687	2.3
53.80193	2.1
53.87966	2.1
55.01879	3.6
58.00582	5.9
59.01377	98.7
61.98823	6.7
71.01378	54.0
72.99284	6.0
73.02929	5.1
83.01407	5.7
85.02958	14.1
87.00871	21.5
89.02440	76.9
93.03433	2.2
95.01372	9.3
101.02430	28.1
111.00874	41.2
113.02438	25.8
119.03494	30.9
121.02934	2.5
141.01935	100.0
142.02190	3.4
143.03467	4.8
149.02428	17.4
161.04570	3.3
171.36432	2.2
177.01909	89.9
178.02234	4.1
179.05545	8.9
192.04266	47.0
193.04732	3.2
195.02956	5.9
195.06560	3.8
207.06552	13.6
210.05270	8.6
216.97916	2.3
225.07645	21.2
254.40721	2.5
302.91464	2.7
387.13077	10.2
405.13971	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	405.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12338	0.8
58.00595	1.6
59.01376	31.3
61.98826	11.1
62.34780	0.7
71.01376	20.3
72.99312	1.9
73.02937	1.2
83.01361	1.3
85.02961	3.4
87.00872	100.0
88.00394	1.0
88.01208	1.9
88.98764	1.4
89.02443	26.3
95.01372	1.2
96.14513	0.8
98.20763	1.7
101.02439	10.0
111.00884	3.5
113.02444	8.6
119.03506	9.5
123.00884	1.0
130.35301	1.1
130.76797	0.9
131.03465	1.9
135.04514	4.8
137.02466	1.0
138.03319	1.0
141.01926	7.2
143.03453	1.5
149.02426	4.9
161.04535	1.0
165.05571	0.9
177.01918	33.3
178.02370	1.7
179.03534	1.7
179.05603	3.2
192.04288	15.3
193.04674	1.5
195.02945	2.4
195.06641	1.6
207.06586	3.8
208.06874	1.2
210.05359	2.3
217.48050	0.8
225.07631	6.3
245.04808	1.5
297.09744	1.5
308.33243	0.9
387.12875	6.3
405.13837	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	405.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	63.8
59.36674	14.5
63.87829	12.6
69.41008	100.0
71.01364	14.2
81.54774	13.2
85.27999	12.5
85.74330	13.9
87.45610	13.4
101.02451	13.9
104.05604	12.4
116.36844	14.9
144.46066	11.5
151.70683	12.3
167.50159	14.0
253.17300	13.5
405.16693	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.5
61.98827	20.6
69.03446	0.5
69.53944	2.0
69.54359	1.2
71.01382	2.3
82.61118	0.4
85.02944	1.2
89.02431	0.9
93.03458	12.3
95.01368	0.7
98.20637	0.6
101.02513	0.6
108.02159	0.9
109.02948	8.1
111.02707	0.5
119.04993	1.4
121.02950	93.7
122.03277	2.3
122.03747	3.0
123.04555	3.7
124.01664	1.0
125.02426	1.8
129.03448	2.2
134.03761	0.5
135.04497	1.3
137.02400	2.5
139.03984	1.4
146.03717	1.6
147.04515	13.8
148.05229	0.8
149.06027	1.1
150.03255	1.0
151.04005	3.3
152.04735	0.9
153.05606	0.5
154.02710	1.3
159.04462	0.6
161.06059	3.9
163.03963	1.2
164.04819	2.4
165.05556	37.9
166.05934	2.4
168.04262	0.6
176.04778	0.9
177.05464	1.4
178.06352	1.2
179.03552	0.8
179.07118	15.8
180.04245	1.9
180.07430	0.9
182.37801	0.5
187.04092	0.6
190.06302	0.7
191.07135	0.8
194.05824	2.9
195.06554	5.1
208.07414	0.6
209.08134	2.2
267.12366	0.7
268.88638	0.5
281.80615	0.5
315.12399	0.6
327.12250	2.1
329.14017	1.0
342.14554	0.9
345.13376	9.3
346.13885	0.7
357.12955	0.6
357.17062	1.5
359.14993	4.5
360.15613	0.6
375.14386	4.6
390.16803	31.9
391.17181	3.9
405.19122	100.0
406.19427	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	405.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01721	1.0
61.98825	8.5
71.01389	0.7
71.51799	0.7
71.52255	1.1
82.36517	0.7
84.98064	0.7
85.33023	0.7
93.73543	0.7
101.02441	1.1
110.51402	0.8
122.18744	0.7
129.01933	0.9
134.03761	0.8
174.93089	0.7
227.76997	0.7
259.97998	0.8
273.33746	0.7
357.27911	0.9
383.63263	0.8
405.19727	0.8
405.25400	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58963	18.5
54.78091	15.4
59.01370	51.2
61.98820	100.0
62.11968	18.5
71.51711	18.1
71.52164	23.8
130.22691	18.1
132.67616	19.7
266.24210	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	406.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41743	0.3
59.01375	0.7
61.98828	100.0
69.19234	1.7
69.19655	1.0
73.90285	0.3
86.72757	0.3
162.11551	0.3
216.09016	0.3
343.12061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.7
61.98825	100.0
69.47017	0.9
69.47440	1.7
71.01391	0.8
83.01390	0.4
113.02425	0.5
131.61610	0.3
133.02936	0.5
150.03250	1.0
161.02457	0.4
165.05576	1.5
183.10265	1.5
184.10631	1.2
195.06709	0.7
229.07431	0.6
244.09804	2.9
275.09433	0.8
292.16156	0.4
407.15170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.0
60.01711	0.8
61.98826	100.0
71.01389	0.7
71.52058	0.5
87.00871	0.5
88.98805	1.9
89.02457	0.5
94.00277	0.3
101.02494	0.4
128.03564	0.4
145.97586	0.4
146.04625	0.4
156.01254	0.4
161.04558	0.4
165.05591	0.4
181.04993	0.4
183.06625	0.8
184.06920	0.4
228.49556	0.3
345.70874	0.4
406.12918	0.5
406.17880	0.4
415.69467	0.4
420.60446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	1.6
59.01375	47.7
61.98825	8.5
69.57091	0.8
71.01375	25.9
71.51473	1.0
72.99303	11.9
73.01184	0.7
73.02942	1.0
83.01385	1.9
85.02947	6.4
87.00867	16.2
88.97016	3.9
88.98803	1.9
89.01878	1.3
89.02434	27.7
90.98589	24.3
91.00375	2.8
95.01382	2.9
101.01798	1.3
101.02435	17.1
102.36173	0.7
108.02166	0.8
111.04491	0.8
113.02448	9.7
114.31679	0.8
119.03491	8.6
119.05006	1.8
122.03737	1.2
125.06065	1.0
131.05005	2.6
134.03745	2.9
137.06096	2.0
140.10025	0.8
143.03432	1.0
149.06056	6.3
161.04489	1.1
165.03783	4.0
166.08188	0.7
167.07109	0.9
179.05602	1.8
183.04816	2.9
201.05849	1.7
201.31937	0.8
202.53110	0.8
209.02766	10.5
210.03166	1.2
227.03848	1.7
249.12297	1.1
355.10217	2.2
363.11133	1.2
389.09119	10.0
390.09198	1.0
407.10132	100.0
408.10437	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	407.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22815	1.1
59.01377	100.0
60.01706	1.8
61.98828	41.5
65.99862	1.9
71.01379	7.8
71.52914	1.5
72.99288	1.7
73.02937	3.8
82.02991	8.6
83.01371	1.9
85.02932	2.8
89.02438	6.5
99.00882	1.8
101.02444	8.2
104.71334	1.0
113.02442	4.5
119.03491	2.7
135.04510	3.2
136.04059	1.4
137.02382	1.7
150.03218	11.8
160.07681	1.8
161.02408	2.2
161.04576	3.0
164.03505	4.9
165.05554	1.7
172.04027	1.4
172.07719	1.3
172.10876	1.3
174.01982	1.8
174.05495	1.7
179.03476	4.2
179.05563	1.6
186.05530	1.6
188.07187	2.2
189.63475	1.2
191.04573	2.3
195.05104	1.9
202.08609	2.1
204.05116	1.3
215.04483	2.2
216.05278	4.5
216.06924	2.1
216.10184	2.8
217.02538	4.1
217.06059	8.8
218.06909	2.8
228.06645	2.0
229.05969	5.8
230.03357	2.3
230.06889	3.6
231.07741	8.8
232.08394	4.0
241.06094	3.3
242.03201	2.7
243.04082	14.8
243.07718	2.5
243.11478	1.8
244.04851	12.1
244.09740	13.5
245.09282	3.7
248.09215	3.1
249.05244	1.2
255.05109	1.7
256.04916	5.3
257.05643	10.8
258.06339	6.8
259.07181	34.6
259.10776	5.8
260.07343	2.3
269.09280	2.5
270.07098	1.2
271.07211	19.8
272.07697	2.4
285.08792	3.6
287.10345	57.2
288.08640	5.0
288.11194	2.4
291.10019	7.9
310.08762	11.1
310.58945	3.6
313.08273	71.4
314.08609	6.9
319.12881	2.4
331.09323	45.2
332.09702	5.1
345.10840	7.3
346.11499	1.4
347.17053	9.1
348.17398	1.3
357.06931	1.9
365.18015	1.4
375.08334	16.8
376.08496	1.8
389.09790	5.0
407.10898	64.1
407.18842	6.1
408.11172	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	407.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70727	0.9
57.03434	4.0
59.01377	100.0
59.81824	1.0
60.01695	3.2
61.98831	11.8
62.56960	1.1
65.99847	1.8
69.23122	5.2
69.23560	4.6
71.01371	8.4
73.02948	2.6
82.02982	7.4
83.01376	2.2
85.02942	3.5
87.00869	2.0
89.02427	4.2
92.45034	1.2
99.00851	2.0
99.04516	4.5
101.02441	7.2
111.00827	1.6
113.02440	4.0
119.03471	1.7
125.02428	2.7
135.04546	2.4
150.03210	2.4
152.01144	1.5
156.82967	1.1
160.07661	2.7
161.02391	1.3
161.04570	3.4
162.04329	1.5
162.05585	1.7
164.03600	5.6
174.05566	2.1
179.03497	3.5
179.05659	1.2
187.05132	1.5
188.07224	1.7
189.02948	1.1
189.06755	1.1
191.04437	1.1
194.04477	1.3
200.07138	1.1
202.08788	2.2
215.04581	1.7
216.05045	5.3
217.02563	5.0
217.06071	6.3
218.06926	2.0
228.06607	1.9
229.06009	6.3
230.03267	3.2
230.06905	3.4
231.07744	9.4
232.08379	3.3
241.06120	2.5
242.03305	1.8
243.04085	15.5
243.07770	2.9
243.11436	1.7
244.04828	10.1
244.09798	7.4
245.00551	1.1
245.09373	5.0
248.09279	2.6
249.05115	1.3
256.04871	5.5
257.05652	13.5
257.09415	1.4
258.06415	6.5
259.07202	34.1
259.10809	4.9
260.07431	2.0
269.09195	2.3
270.06384	1.5
271.07220	16.6
272.07870	3.0
275.06494	1.1
280.31757	1.2
285.05463	1.4
285.08774	4.7
287.10345	56.1
288.08521	3.1
288.10947	3.8
291.09860	9.4
313.08270	74.5
314.08554	8.3
317.07657	2.0
331.09320	40.2
332.09683	4.5
345.10724	5.6
347.17062	9.1
357.07230	1.4
375.08316	17.0
376.08597	1.4
389.09909	3.1
393.03601	1.3
407.10922	52.7
407.18915	5.0
408.11298	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30725	35.2
59.01387	42.9
70.61092	100.0
73.85872	33.7
106.90121	34.9
120.12124	37.8
160.44467	34.7
196.19173	39.8
248.42792	42.1
415.91678	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39000	0.3
53.77130	0.4
57.03458	0.6
59.01376	100.0
60.01711	1.1
61.98833	3.4
69.08778	0.3
69.60084	2.3
71.01381	6.3
73.02953	1.8
83.01382	0.9
85.02966	2.1
85.03423	0.3
87.00859	0.7
89.02435	5.1
95.01408	0.4
99.00877	0.9
101.02431	5.9
101.03098	0.4
113.02449	3.6
119.03475	1.7
135.04486	0.4
142.99829	0.4
143.03529	0.7
150.03200	0.4
159.03020	0.7
161.02464	0.5
161.04549	3.9
171.34122	0.3
179.03467	0.7
179.05658	1.6
185.11829	0.4
188.55063	0.4
243.04144	0.7
259.07330	0.5
271.07449	0.6
287.10492	1.3
291.09735	0.5
310.08948	0.9
310.59052	0.5
313.08331	1.8
331.09390	1.0
347.17065	16.4
348.17365	1.7
366.58582	0.4
375.08258	0.5
407.10956	1.4
407.18927	4.3
408.19748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10054	0.4
57.03433	0.5
58.00581	0.6
59.01375	100.0
60.01716	1.4
61.98827	20.3
71.01378	6.2
71.52658	0.7
72.99297	0.6
73.02944	1.5
78.88220	0.4
83.01354	0.5
85.02961	2.0
89.02438	4.0
89.94312	0.4
101.02444	4.6
110.02468	0.5
111.00885	0.7
113.02470	3.1
116.86576	0.4
119.03522	1.7
125.02464	0.6
133.02937	0.6
134.03795	0.5
134.44467	0.4
135.04521	1.2
143.03491	0.6
150.03270	1.7
155.10689	0.5
161.02435	1.3
161.04536	2.5
164.69214	0.5
179.03522	0.7
179.05649	1.3
185.12039	0.6
231.07727	0.6
243.04077	0.9
244.04855	0.6
244.09895	0.5
255.05144	1.1
257.05753	0.5
259.07352	1.3
262.49570	0.5
263.98572	0.4
287.10364	2.3
305.16071	0.8
310.08826	1.4
313.08182	3.3
331.09372	2.3
341.89743	0.4
347.17068	11.3
348.17480	1.3
375.08316	0.7
407.10724	2.6
407.19348	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	407.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38243	0.9
58.82877	0.8
59.01376	94.2
60.01690	0.9
61.98825	19.3
62.51659	0.9
66.79294	0.9
71.01380	4.0
71.52448	1.7
71.52811	1.0
75.00844	1.0
85.02937	1.6
89.02473	1.0
95.78312	0.8
101.02442	2.0
113.02428	2.7
118.11086	0.9
119.03513	1.2
139.11267	1.0
161.04523	1.8
177.57797	1.0
185.11809	100.0
186.12178	6.6
186.13667	1.2
198.05878	0.9
227.12762	1.3
230.51300	1.0
292.91727	0.9
347.17007	1.2
405.49164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51522	0.4
57.03432	0.4
59.01375	20.6
60.01722	0.4
60.31687	0.4
61.98825	100.0
67.08943	0.4
71.01376	5.4
72.99308	0.7
73.02941	0.7
85.02952	1.2
87.00883	1.3
89.02435	5.3
99.00885	0.7
101.02441	4.2
113.02462	1.8
119.03495	2.2
135.04561	0.5
143.03572	0.4
150.03340	0.5
161.02473	1.3
161.04555	1.8
162.02893	0.4
165.05551	0.5
179.03537	0.6
179.05649	1.6
288.10809	0.6
314.08554	0.5
349.18509	3.6
408.11398	0.6
408.19562	0.8
409.15176	1.7
409.20505	0.8
413.06009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.6
61.98822	0.6
71.07735	0.7
71.08060	0.3
89.02421	0.3
93.03433	0.4
96.96005	2.9
114.80733	0.3
121.02950	100.0
122.03292	3.4
122.62167	0.3
125.02432	0.3
200.91414	0.3
205.12302	1.6
227.12730	0.4
409.19205	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	94.5
61.98827	21.6
65.03963	54.1
69.03425	3.5
71.01370	10.6
85.02927	4.5
89.02444	8.8
93.03438	4.2
101.02440	6.1
113.02441	4.8
116.92844	5.6
119.05028	3.4
121.06565	15.8
139.03998	56.7
165.05565	19.5
179.05719	3.1
183.06606	100.0
209.02739	4.0
225.11288	51.3
349.18585	10.3
371.14835	3.1
386.74036	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74469	5.8
59.01377	100.0
61.98830	69.8
66.52832	5.7
71.01387	7.3
73.13863	5.3
79.85661	5.2
82.07946	6.0
91.94788	7.4
96.96014	72.7
102.34737	7.5
117.03460	30.1
134.63834	7.5
145.02950	85.3
154.44389	6.1
194.22879	5.9
229.31389	7.4
248.31248	6.1
252.02342	6.4
330.50470	6.8
346.15686	6.8
409.14841	23.5
409.19357	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	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.0
59.01375	100.0
60.01695	1.1
61.98825	2.7
71.01379	17.0
71.42975	1.4
72.99290	1.3
73.02932	1.3
85.02474	0.7
85.02959	2.8
87.00900	1.1
89.02441	27.6
89.47571	0.7
93.18370	0.6
95.01402	1.4
101.02433	8.8
113.02454	7.5
119.03487	12.8
128.02625	0.7
131.03516	1.7
143.03522	2.7
149.04501	1.1
161.04532	5.2
177.40169	0.7
179.05591	13.2
187.13388	0.8
219.67427	0.7
256.40112	0.6
332.53302	0.6
349.18631	9.5
350.18964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	22.4
60.01708	0.9
61.98826	100.0
71.01377	1.2
71.52593	0.5
73.02956	0.4
79.95759	0.7
83.36393	0.5
85.02954	0.7
96.96005	22.9
101.02450	1.1
113.02422	0.7
145.02907	0.6
147.56453	0.5
161.02377	0.5
161.04561	0.8
178.52740	0.6
179.03421	0.8
185.65198	0.5
197.97542	0.5
217.12714	0.4
224.01407	0.4
260.39862	0.5
261.13425	2.4
303.14456	1.1
411.15771	1.3
411.20663	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	410.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61371	0.4
53.76407	0.3
59.01375	15.9
61.98826	100.0
62.18520	0.3
64.23696	0.4
69.19914	0.9
69.20328	2.9
71.01383	3.4
73.02943	3.8
73.21864	0.4
73.83666	0.5
83.01395	0.7
89.02457	1.2
92.89153	0.4
96.96006	1.6
101.02435	3.9
113.02454	1.5
119.03497	0.7
119.05036	0.5
143.56720	0.3
145.02951	1.8
149.04599	1.0
150.65263	0.3
158.09071	0.4
161.04550	1.8
161.05888	0.4
163.03984	0.5
241.06795	0.4
283.43600	0.4
344.61792	0.5
411.20844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71762	0.3
59.01374	2.2
60.44388	0.3
61.98828	100.0
65.76318	0.3
69.47550	2.0
71.01362	0.4
96.96013	3.6
98.20597	0.6
100.98032	0.3
101.02428	0.3
108.91566	0.3
117.03444	0.6
119.05035	0.8
145.02937	4.6
161.06006	0.4
163.04039	1.0
205.04999	0.6
265.07321	0.3
410.19629	0.4
411.12796	1.3
411.20639	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	410.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22734	0.3
59.01373	7.8
61.98826	100.0
71.01378	0.6
71.43973	0.6
73.02924	0.4
96.96008	5.4
113.02468	0.4
113.74519	0.3
120.03810	0.3
132.04546	0.8
152.07173	0.6
228.81436	0.3
230.65028	0.3
341.11484	0.4
342.11523	0.7
347.17148	0.8
373.13861	0.5
374.14539	0.7
411.20563	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85717	1.7
59.01373	18.1
60.03287	1.6
61.98819	4.5
65.03954	3.2
71.01384	10.2
85.02968	2.3
87.00865	6.1
89.02441	8.6
93.03459	4.5
101.02414	3.7
101.53107	1.5
109.09890	1.7
113.02430	4.2
121.06582	11.8
121.28461	1.7
125.06073	59.5
126.06407	2.2
151.07637	24.7
165.40195	1.6
169.08676	8.3
181.65065	1.6
213.07664	47.8
214.07991	2.6
229.35779	2.4
282.96066	1.7
375.12927	100.0
376.13107	11.1
411.10580	4.4
415.94745	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	411.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	51.0
61.98824	22.8
67.21288	1.2
70.60139	2.7
70.60472	1.3
71.01376	14.4
73.02936	2.2
73.03318	1.1
77.25300	1.1
79.95716	1.5
85.02952	11.3
87.00867	2.1
89.02435	8.3
93.03442	3.0
96.96004	36.3
98.95568	1.3
99.00864	1.4
101.02422	8.9
103.03990	3.1
113.02427	5.3
117.03443	15.8
119.03520	2.8
119.05016	50.2
120.05294	1.9
121.02926	4.4
132.05775	2.7
133.06589	15.3
137.09665	1.9
138.72774	1.2
145.02939	100.0
146.03229	4.6
147.04478	2.6
149.05951	1.5
159.04526	2.1
161.04671	2.2
161.06059	43.1
161.07433	2.1
162.06386	2.4
163.03993	67.0
164.04309	2.8
175.03879	1.2
177.04085	2.2
177.05550	26.7
179.05498	1.5
187.03912	3.1
205.05032	46.3
206.05284	3.1
207.10283	1.5
235.03719	2.2
235.06097	29.1
244.97800	1.2
265.07068	45.8
265.09348	11.4
266.07388	4.3
325.09125	11.1
326.09576	1.3
394.98392	1.6
411.12595	34.3
411.20880	17.2
412.13156	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	411.1656
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
52.67509	0.6
53.57484	0.8
57.03427	0.8
58.00604	3.2
59.01377	60.4
60.01700	1.0
61.98825	4.8
71.01378	26.8
72.99289	2.6
73.02929	1.2
74.64069	0.6
75.84473	0.6
82.12963	0.5
83.01382	1.9
84.27526	0.7
85.02943	6.9
87.00853	1.1
87.45740	0.6
89.02440	24.1
90.02848	0.7
95.01365	2.0
99.00874	1.2
101.02432	16.6
103.12873	0.8
110.02747	0.9
113.02442	9.5
119.03499	9.1
126.92126	0.7
131.03484	0.8
133.02927	0.9
135.04530	1.1
146.03717	1.5
147.04486	1.1
158.03592	0.7
159.04529	1.6
159.08151	0.8
161.02399	1.3
161.04591	0.8
163.94951	0.7
172.05272	2.1
173.06042	6.7
174.06879	1.2
179.05588	1.5
179.07019	0.7
187.04019	3.7
187.07635	23.5
188.08037	1.3
201.05525	6.2
202.06334	35.3
203.06853	2.1
203.10629	1.6
213.09225	1.7
214.11650	0.7
216.07813	3.1
231.10236	50.0
232.10567	2.6
252.80971	0.6
308.82419	0.8
351.20374	3.4
411.16562	100.0
412.16937	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	411.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01717	1.3
69.38648	0.7
69.39268	4.2
71.01378	15.4
73.02940	21.2
83.01376	4.8
85.02954	3.5
87.00854	0.7
89.02436	7.1
95.01373	0.9
101.02438	17.8
113.02435	10.1
119.03488	2.2
121.06548	1.0
131.03540	1.8
137.09711	7.3
143.03485	1.0
149.04593	1.8
160.56024	0.7
161.04565	2.4
189.12933	1.0
216.59737	0.6
268.70520	0.7
368.52786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
58.00588	0.5
59.01377	100.0
60.01712	1.1
61.98827	2.6
66.98859	0.5
69.03465	0.7
70.95013	0.9
71.01379	18.5
73.02946	18.9
83.01388	5.5
85.02950	4.3
87.00875	0.7
89.02443	7.0
94.16849	0.5
95.01401	1.1
96.96031	1.3
101.02440	19.2
113.02435	9.7
114.43153	0.5
119.03508	2.8
121.06564	0.7
131.03510	1.9
137.09714	8.4
137.75479	0.5
143.03503	1.9
145.02969	0.8
149.04573	1.3
155.03531	0.6
161.04550	4.2
164.98851	0.5
179.05644	1.3
189.12823	0.7
269.49237	0.4
275.32111	0.5
285.99310	0.5
286.17157	0.5
411.16357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2021
Annotation	3beta-Acetoxy-14-n-butyryloxy-10-deoxyfloridanolide
Peak:m/z	Relative Intensity
50.90463	0.4
55.01871	0.6
57.03455	0.7
58.00575	0.9
59.01375	100.0
60.01705	1.4
69.03436	0.4
69.14225	3.9
71.01376	20.2
72.99315	1.0
73.02942	19.4
83.01382	4.9
85.02943	3.4
87.00881	1.6
89.02441	12.1
95.01392	1.1
99.00876	0.8
101.02437	18.7
102.02801	0.4
113.02444	10.6
119.03485	4.9
125.02464	0.8
131.03511	1.7
134.55984	0.3
143.03514	1.7
149.04567	1.3
151.66371	0.4
161.04555	4.7
161.05746	0.7
179.05623	1.9
201.94073	0.5
203.05739	0.5
207.13921	0.5
256.92419	0.4
351.18253	1.4
352.11963	0.5
352.18930	0.4
369.19135	8.8
370.19629	1.0
411.20355	1.5
417.38239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.2
59.01377	100.0
60.01709	1.1
61.98827	13.4
64.83645	0.2
71.01378	7.2
71.51974	0.3
71.52363	0.2
73.02932	2.2
73.03242	0.2
76.88725	0.2
83.01386	0.7
85.02953	2.3
85.88396	0.2
86.70107	0.2
89.02434	2.2
95.01385	0.8
96.96007	1.7
97.05492	0.2
99.00880	0.3
101.02439	4.2
113.02444	5.8
119.03521	0.9
131.03500	0.3
137.09743	1.0
143.03494	0.3
145.02899	0.3
149.04581	0.3
161.04553	1.4
170.97331	0.2
189.12874	0.4
208.14780	0.3
221.06674	0.2
349.18726	0.6
411.16074	0.4
411.20688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19246	0.7
55.01864	2.1
57.03438	1.7
58.00561	0.9
59.01375	100.0
60.01721	1.6
61.98828	7.7
69.26737	4.9
71.01378	33.4
72.99306	1.6
73.02941	12.7
75.00855	0.9
81.03454	0.9
83.01382	5.4
85.02938	15.7
87.00897	1.9
89.02431	6.1
95.01398	1.8
97.02937	1.3
98.19852	1.2
99.00890	5.8
101.02435	29.0
102.02773	0.8
111.00900	0.7
113.02448	13.0
115.03995	1.0
119.03513	1.2
119.04997	4.4
125.02466	1.3
125.23048	0.6
131.03554	1.0
143.03517	2.7
145.03004	0.9
159.02998	3.4
161.02509	0.9
161.04555	22.7
163.03989	4.1
189.15021	1.5
270.94168	0.7
279.14447	27.4
280.14963	2.3
351.20209	37.9
352.20538	3.2
383.54840	0.7
411.13116	1.0
411.18674	13.0
412.19257	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30531	0.8
51.65796	0.7
55.01876	1.3
59.01376	100.0
60.01700	1.0
61.73510	0.8
61.98828	12.6
69.67208	4.3
71.01382	15.4
73.02937	4.5
79.11211	0.9
83.01377	2.7
85.02946	6.4
85.27500	0.8
87.00884	1.5
88.98816	0.9
89.02436	8.5
95.01381	1.1
99.00899	1.5
101.02436	15.6
103.18100	1.0
113.02456	6.9
116.45992	0.8
118.98048	1.2
119.03479	3.5
119.05029	3.4
145.02969	1.4
159.02957	1.9
161.04539	4.5
163.04010	1.0
179.05608	1.0
189.97673	0.9
232.19205	1.0
255.08881	4.5
279.14536	0.9
326.86060	0.8
335.44315	0.9
351.20200	76.5
352.20551	8.0
375.12860	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	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01713	0.9
62.07895	0.3
70.74232	0.7
135.43094	0.3
200.67245	0.4
273.70691	0.3
290.30066	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88963	0.4
53.74949	0.4
56.81239	0.4
59.01376	100.0
60.01727	1.2
61.98832	0.9
71.52169	0.5
73.60189	0.5
124.42891	0.5
147.34872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.1
59.01377	28.5
60.01709	0.4
61.98828	100.0
69.12599	0.5
71.01382	1.9
71.52034	0.6
73.02930	1.1
77.20594	0.5
85.02948	0.9
86.26247	0.5
89.02456	0.6
96.96011	6.0
97.42321	0.4
98.29730	0.4
101.02448	1.9
107.05010	2.9
113.02473	1.3
126.10926	0.4
137.20346	0.5
161.04567	0.9
169.52010	0.5
227.62743	0.5
233.33008	0.5
263.15005	2.6
305.16074	1.2
412.21567	0.7
413.22079	4.1
422.37656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00568	0.3
57.03459	0.4
59.01373	3.1
61.98825	100.0
69.50182	2.3
71.01367	3.5
72.99304	0.7
75.00852	2.0
85.02934	4.1
87.00886	1.6
89.02441	1.8
95.01449	0.5
99.00894	1.3
101.02444	0.5
113.02426	5.2
117.03459	0.6
119.05035	4.5
129.01907	0.4
145.02945	3.5
153.43570	0.4
161.02448	0.5
163.04002	4.4
237.07791	0.6
249.06253	1.8
267.07178	18.7
352.19522	0.4
413.10831	8.7
437.40714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00600	0.9
57.03422	3.0
59.01375	15.3
61.98831	1.1
67.01885	2.0
68.99801	1.3
69.03446	1.5
69.61586	2.7
69.62002	3.1
71.01374	20.6
72.99291	5.4
73.02956	1.2
75.00871	15.6
85.02949	21.1
87.00865	9.8
89.02425	5.6
89.52394	0.8
92.35059	0.9
93.03444	1.4
95.01390	6.4
99.00877	10.4
103.00383	2.3
113.02448	31.2
115.00351	1.9
117.01933	2.8
117.03450	3.8
119.05025	40.0
120.05327	1.5
124.20844	1.1
129.01900	1.6
132.73735	0.8
137.54324	0.9
145.02945	19.6
145.39381	0.9
157.01421	1.1
163.04001	42.8
164.04327	2.5
175.02480	2.4
193.05807	0.9
207.05048	1.9
231.04999	1.7
237.07625	4.0
237.81470	1.0
249.06145	23.6
267.07184	100.0
268.07535	4.7
337.39981	0.9
349.21478	1.0
351.10724	1.1
413.10867	42.5
414.11108	6.8
434.04520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
55.26002	0.9
57.03431	3.0
59.01376	18.9
61.98805	2.2
68.99806	0.9
69.03465	1.3
69.17131	2.7
69.17546	6.6
71.01377	22.4
72.99313	4.4
73.02921	1.6
75.00862	17.0
83.01400	1.2
85.02943	22.1
87.00867	10.2
89.02426	7.1
91.04030	1.6
93.03465	1.6
95.01370	3.8
99.00881	9.5
101.02386	1.0
103.00376	3.2
113.02446	26.7
115.00340	1.9
117.01936	2.5
117.03483	4.8
119.05019	45.4
120.05331	2.1
129.01962	1.9
145.01900	1.4
145.02956	18.8
146.03253	0.9
157.01414	0.9
163.03996	34.6
164.04314	1.3
170.17281	0.9
175.02498	2.3
185.13071	0.8
207.04988	1.9
237.07622	2.8
249.06152	20.5
250.06654	1.1
267.07190	100.0
268.07559	7.0
344.34958	1.0
395.10190	1.2
413.10855	66.4
414.11182	8.4
436.33499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35102	0.8
52.65872	0.9
54.32399	0.9
56.44197	0.9
59.01376	100.0
60.01707	1.6
71.01051	0.8
71.01382	5.7
71.53777	1.3
73.02935	2.9
73.33472	0.8
78.61341	0.9
85.02950	2.0
85.82330	0.9
89.02434	2.6
101.02445	3.9
102.28196	0.9
111.16882	1.0
113.02448	2.5
148.88132	0.8
149.09729	1.1
160.56810	0.9
161.04533	1.8
189.76901	0.9
191.14430	3.3
261.29889	1.1
363.96857	1.0
371.20630	2.0
413.16788	1.3
413.21826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34172	0.4
54.96260	0.4
55.01871	0.6
57.03440	1.3
59.01376	100.0
60.01715	1.5
69.23663	2.1
69.24087	1.4
70.02765	0.3
71.01376	9.5
72.99304	0.7
73.02944	5.2
74.88720	0.3
83.01376	2.3
83.16484	0.4
85.02953	4.6
89.02450	1.9
95.01411	0.3
96.43855	0.4
98.20609	0.8
99.00859	0.7
101.02438	8.2
113.02429	4.5
119.03511	0.6
125.02467	0.5
131.03487	0.5
143.03543	0.4
161.02455	0.5
161.04564	2.5
176.72084	0.4
208.95917	0.8
209.15469	1.1
213.84048	0.3
353.19757	1.3
371.20685	7.6
371.25006	0.7
372.21362	1.0
413.21985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13456	0.2
59.01373	100.0
60.01714	0.9
61.98825	1.0
68.28337	0.3
69.35007	1.6
69.35419	0.5
69.47887	0.2
71.01369	2.3
73.02944	0.5
76.58006	0.3
83.01368	0.3
85.02958	0.9
89.02429	1.4
89.73730	0.3
101.02414	1.3
113.02464	1.1
119.03510	0.7
161.04482	0.5
371.20657	0.6
386.39999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40974	0.3
52.87713	0.2
53.40521	0.2
55.01864	0.4
59.01376	100.0
60.01715	1.2
69.43982	1.6
69.44406	0.5
71.01379	5.6
71.05039	0.6
73.02938	2.1
83.01399	0.6
85.02944	2.1
89.02444	1.1
95.01390	0.5
98.03800	0.3
99.00896	0.6
101.02430	2.8
113.02447	2.4
119.03532	0.3
137.08836	0.4
137.09732	2.2
139.11299	3.2
159.03046	0.6
161.04553	2.7
191.14441	0.7
209.15465	4.4
210.15868	0.5
353.20084	0.4
371.20688	2.3
398.86765	0.3
413.12234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.03443	0.5
58.00619	0.1
59.01374	100.0
60.01711	1.0
67.15488	0.1
69.20924	0.6
69.21349	0.6
71.01376	4.3
72.99298	0.2
73.02941	1.9
75.97548	0.1
83.01364	0.9
84.06400	0.2
85.02943	2.2
87.00905	0.2
89.02451	0.4
95.01354	0.3
98.20748	0.2
98.66795	0.1
99.00881	0.5
101.02434	3.1
108.15413	0.1
113.02447	1.8
117.75878	0.1
129.01949	0.1
159.02975	0.4
161.04527	2.3
162.05003	0.1
209.15509	0.4
277.54620	0.1
353.19763	0.4
371.20685	2.8
371.25049	0.2
372.21191	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01377	100.0
60.01701	0.7
71.01369	3.4
73.02934	1.2
85.02959	1.2
89.02454	0.6
96.37083	0.4
98.19900	1.9
101.02448	1.9
102.33852	0.5
102.47872	0.4
113.02459	0.9
161.04546	1.1
182.11446	0.5
185.65247	0.5
203.31853	0.5
229.42323	0.5
239.76993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25256	0.4
59.01377	100.0
60.01715	0.9
61.98860	0.6
70.60236	1.4
71.01379	7.2
71.88631	0.5
73.02932	2.9
85.02943	2.8
89.02449	2.1
95.01382	0.7
99.00883	0.7
101.02440	4.7
109.96182	0.5
113.02461	3.0
119.03494	1.0
122.31951	0.5
161.04585	1.3
190.38541	0.5
209.15459	0.8
272.29861	0.5
309.43835	0.6
353.19833	1.2
371.20673	5.2
413.21951	0.9
432.72107	0.5
439.32507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91611	0.3
54.01361	0.4
59.01377	100.0
60.01717	1.3
60.25289	0.3
70.39706	0.3
71.01389	2.4
71.06892	0.6
71.67748	0.3
73.02953	1.2
75.45759	0.3
83.01418	0.5
85.02952	0.9
89.02474	0.4
91.30338	0.3
101.02470	1.7
113.02457	0.9
142.39214	0.3
147.58038	0.4
149.59581	0.4
152.59131	0.3
156.38910	0.4
161.04581	1.2
284.63495	0.4
288.32532	0.4
293.52359	0.4
366.51242	0.4
371.20712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
59.01376	100.0
60.01709	1.1
61.23186	0.3
61.98829	3.5
69.66489	0.9
69.66885	0.6
71.01380	4.1
72.99313	0.5
73.02949	1.4
83.01385	0.9
85.02959	1.0
87.00876	0.5
89.02428	2.5
96.28734	0.3
96.96004	3.2
99.04522	1.5
101.02460	2.7
107.05016	7.1
113.02448	1.8
119.03514	1.0
125.02463	1.0
136.06281	0.3
161.04575	0.7
163.03949	0.3
179.05414	0.4
191.05632	0.5
310.97766	0.3
399.22699	0.3
413.22339	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98820	0.9
75.26224	0.7
77.78312	0.5
98.20677	1.5
153.78520	0.6
172.55740	0.6
194.07169	0.6
204.86360	0.7
398.03790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01715	0.9
61.98831	0.5
67.26121	0.4
71.35342	0.7
76.03715	0.3
77.29617	0.4
97.14866	0.3
102.38847	0.3
106.65850	0.3
134.53214	0.4
138.70610	0.4
209.41196	0.4
237.91551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1396
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
57.03454	0.2
57.47079	0.1
58.00599	0.1
59.01375	28.5
60.01717	0.3
61.01818	0.1
61.98828	0.2
68.78172	0.1
68.88243	0.1
69.40843	0.3
69.41264	0.4
71.01378	2.2
73.02937	0.5
83.01392	0.4
83.45265	0.1
85.02949	0.9
87.00890	0.2
89.02441	0.9
93.03455	0.7
95.01367	0.2
95.05054	0.1
96.61691	0.1
99.00915	0.2
101.02441	1.3
102.30077	0.1
110.25468	0.1
111.92211	0.1
113.02438	0.9
117.03455	0.3
119.03510	0.3
121.02956	0.3
123.04505	0.5
125.02451	0.1
133.02950	0.7
134.03767	0.1
135.04512	1.1
137.02460	0.1
143.03421	0.1
161.02425	2.4
161.04468	0.5
169.06497	0.2
173.06044	0.3
179.03464	1.0
182.07425	0.2
183.08073	0.7
187.03999	0.1
193.06577	0.2
196.05280	0.2
201.05634	0.1
202.06300	0.4
203.03238	0.1
209.06129	0.6
210.06844	12.8
211.07613	100.0
212.07951	8.0
310.59280	0.1
337.51709	0.1
355.11942	0.9
371.21701	0.1
373.12866	0.2
373.22250	1.0
389.85751	0.1
407.15424	0.5
415.13742	0.3
416.15802	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.161
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01870	1.1
55.60835	0.3
57.02334	0.2
57.03450	1.5
57.26840	0.3
58.00589	3.1
59.01376	81.3
59.84291	0.2
60.01717	0.6
61.98827	2.7
62.24385	0.3
67.16530	0.3
69.03455	0.8
69.28735	1.1
69.29162	1.0
71.01378	67.2
72.01717	1.0
72.99298	3.0
73.02941	13.5
74.03272	0.3
75.00863	0.3
78.60521	0.2
81.03454	0.5
83.01382	2.7
85.02947	11.7
86.91782	0.2
87.00876	3.2
89.02439	100.0
89.56316	0.2
90.02774	1.3
95.01394	1.7
97.02956	1.2
99.00874	8.3
99.04537	0.3
101.02437	36.3
101.30522	0.2
102.02797	0.8
108.56911	0.2
111.00907	0.5
111.04594	0.2
113.02446	14.2
114.02670	0.3
115.00314	0.3
119.03493	12.0
124.01669	0.3
125.02444	3.3
131.03497	22.8
132.03801	0.4
143.03481	2.5
145.02979	0.4
149.04547	51.7
150.04912	1.3
161.04552	3.0
179.05588	7.0
180.05978	0.4
183.47473	0.3
191.05608	11.5
192.05940	0.5
209.19725	0.3
221.06638	0.6
251.07761	1.5
283.11874	1.2
293.08832	0.4
415.16034	4.7
415.21222	0.6
416.16318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	1.3
61.98820	1.1
63.03959	0.8
63.14999	0.9
67.05965	0.9
71.52034	1.0
74.99091	7.1
77.00661	72.1
78.00983	0.9
87.25309	1.0
98.04623	0.8
112.98516	0.9
120.45889	0.8
133.89188	0.8
139.23106	0.7
145.53981	0.8
147.08116	1.5
163.11279	1.8
180.90721	0.8
187.11244	2.8
191.05588	1.3
280.14697	1.4
307.16956	0.8
309.22180	1.5
337.21698	100.0
338.22058	11.8
415.23114	17.7
416.23410	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03454	0.5
58.00591	0.6
59.01376	100.0
60.01712	1.6
61.01788	0.7
61.90060	0.4
66.26393	0.3
71.01373	10.7
71.53424	0.7
72.99304	0.6
73.02928	4.0
83.01382	2.2
83.05016	0.6
85.02943	4.6
87.00883	0.7
89.02444	5.7
95.01378	0.8
99.00864	0.6
101.02432	8.9
113.02451	4.7
119.03509	2.5
143.03468	0.6
156.76659	0.4
161.02461	0.4
161.04553	3.6
179.05684	0.7
182.33649	0.4
212.95995	0.4
263.61951	0.4
311.77667	0.4
316.52686	0.4
373.22330	3.0
415.23807	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	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77192	0.2
54.18868	0.2
55.01871	0.7
57.03438	0.4
58.00565	0.2
59.01376	100.0
60.01722	1.3
60.01980	0.2
62.65167	0.2
66.22941	0.2
69.66971	0.8
69.67406	0.5
71.01377	6.9
73.02951	2.2
79.52921	0.2
82.23283	0.2
83.01400	1.1
85.02951	3.3
87.00867	0.6
89.02450	2.3
95.01405	0.7
98.20557	0.5
99.00878	0.6
101.02436	4.5
105.48955	0.2
107.78375	0.2
113.02452	3.3
119.03502	1.0
159.02971	0.4
161.04546	2.6
179.05696	0.3
197.33559	0.2
211.16982	0.5
309.41794	0.2
355.21170	1.2
373.22263	6.6
374.22650	0.7
415.23462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.5
59.01375	100.0
60.01722	0.6
65.66331	0.5
69.30588	3.2
71.01379	4.3
71.05202	0.4
73.02947	2.3
74.60753	0.5
83.01390	0.9
85.02949	2.5
85.87318	0.4
89.02451	1.4
99.00871	0.5
101.02441	4.0
113.02437	1.6
114.89710	0.4
119.03511	0.6
161.04556	1.5
173.13324	0.4
174.62556	0.4
256.81042	0.4
373.22253	6.3
374.22888	0.6
384.95447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
58.00575	0.7
59.01376	100.0
60.01709	1.3
68.78059	0.4
69.03449	1.0
69.65689	2.7
71.01375	15.4
73.02940	16.8
79.25246	0.4
79.79828	0.4
83.01379	3.7
84.91986	0.4
85.02928	2.2
87.00933	0.7
87.72115	0.5
89.02439	7.3
89.19829	0.5
92.16193	0.5
93.96811	0.5
95.01393	1.3
97.82844	0.5
98.20628	1.0
101.02435	15.5
113.02448	5.9
119.03534	2.1
125.02431	0.6
131.03499	1.5
143.03500	1.3
145.03009	1.4
146.34093	0.5
147.77716	0.5
149.04581	0.9
155.03568	0.9
161.04530	2.5
179.05574	0.6
201.00900	0.5
265.50195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26764	0.3
52.49902	0.3
55.01867	0.6
57.03439	0.5
59.01375	100.0
59.85400	0.3
60.01713	1.2
69.41573	2.2
71.01379	5.3
73.02951	1.3
83.01374	0.7
85.02943	2.1
89.02434	2.6
99.00883	0.6
101.02435	4.2
110.77001	0.3
113.02431	2.3
114.69207	0.3
119.03472	1.7
129.80197	0.3
140.43056	0.3
161.04550	1.4
173.13347	0.6
236.99304	0.3
248.54614	0.3
296.85504	0.3
355.21521	0.4
373.22287	3.1
382.84134	0.4
415.23349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93568	2.0
59.01378	100.0
61.75499	1.6
61.98796	2.2
71.51819	1.7
81.65563	2.3
91.12542	1.9
92.80539	1.7
121.17812	1.9
364.85645	1.8
396.02728	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	416.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06950	0.3
59.01366	1.8
60.87366	0.3
61.98825	11.0
67.01899	0.4
70.94412	0.8
71.01368	0.8
85.02946	5.1
87.00858	0.9
87.53325	0.4
89.02406	0.4
93.03444	2.2
101.02402	0.6
108.94576	0.4
111.04507	0.7
113.02387	0.3
127.04015	1.2
135.04550	0.5
161.02397	1.3
171.02989	0.4
172.46262	0.3
173.04518	0.9
175.61751	0.4
179.03377	0.6
191.05592	100.0
192.05933	3.9
267.65204	0.4
353.08746	12.3
354.09036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.8
61.98824	4.1
71.01379	8.9
71.52801	2.6
72.99313	4.1
73.02975	1.7
73.04399	1.4
75.00890	1.6
80.20683	1.3
85.02958	7.3
87.00869	3.5
88.04040	3.6
88.98788	2.0
89.02460	4.0
93.03437	1.5
96.95997	3.6
99.00890	2.3
99.58311	1.4
101.02427	4.7
105.01956	1.6
109.02934	2.0
111.04576	1.6
113.02431	4.6
125.02397	2.4
127.04018	2.8
130.05067	1.6
133.02942	10.1
134.03267	8.2
135.04523	7.9
136.04875	2.9
161.01122	2.6
161.02429	36.6
162.02762	30.2
165.05521	1.9
166.05960	1.4
179.03488	4.6
180.03867	3.3
191.05603	100.0
192.05934	3.4
210.00749	2.9
269.07675	1.8
353.08713	14.1
354.08939	2.3
377.74683	1.4
381.18811	2.4
383.09998	2.3
384.10110	33.3
385.10178	3.3
416.12009	8.6
417.13132	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	416.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
61.98825	9.6
65.09969	0.4
65.54905	0.4
70.94427	0.7
71.01375	0.6
76.36680	0.5
80.33300	0.4
82.08446	0.4
85.02937	4.9
87.00880	1.0
93.03450	1.5
99.71344	0.4
99.90085	0.4
110.27155	0.4
111.04528	0.9
127.03983	1.6
129.49831	0.4
135.04523	0.5
159.23184	0.4
159.36311	0.4
161.02440	1.5
169.04370	0.4
179.03476	0.5
191.05603	100.0
192.05956	3.8
206.60623	0.4
223.19719	0.5
232.67731	0.5
238.85422	0.5
259.50781	0.4
353.08759	11.7
354.09122	0.6
417.13681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	3.0
59.01377	100.0
61.98828	22.9
63.04785	2.2
64.39452	1.9
65.85960	2.0
68.05095	2.5
68.38310	2.2
71.01381	54.7
71.50964	2.4
71.51361	2.3
72.99308	3.3
73.02552	4.3
73.02941	54.3
75.00864	5.3
83.01384	15.9
85.02935	11.3
87.00866	4.8
88.98798	5.2
89.02446	16.8
89.80753	2.3
93.03455	3.6
96.96001	12.4
96.96956	3.5
99.02647	2.3
101.02437	55.1
102.02740	2.1
105.01940	3.8
107.05001	3.9
108.02165	37.6
111.00850	3.2
113.02434	14.8
119.03502	6.0
123.04527	9.4
125.02459	3.3
125.06084	3.6
131.03516	2.5
133.92094	2.3
134.03719	2.5
135.04520	40.2
143.03479	5.0
145.02986	3.4
149.02438	6.6
150.03206	8.3
153.05562	3.1
155.03586	3.3
161.02478	4.9
161.04530	14.5
162.03120	4.8
164.04764	4.1
165.05592	18.5
166.02664	11.4
177.05574	2.5
179.05571	3.3
179.07150	5.8
180.04333	2.3
181.05048	18.4
191.05592	52.1
192.05923	34.0
195.06618	7.1
202.48476	2.2
227.06662	3.0
248.64241	2.3
255.08736	5.4
257.02658	2.8
297.09818	3.1
315.10730	2.5
322.90421	2.4
354.09113	8.2
357.11880	5.6
417.14203	25.2
418.14471	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	417.1401
Annotation	7-O-Acetyl-8-epi-loganic acid
Peak:m/z	Relative Intensity
51.30796	1.6
51.51291	1.6
53.96235	1.6
55.01867	1.9
58.00563	2.5
59.01378	85.2
61.10802	1.7
61.98823	17.2
62.55017	1.7
65.03944	4.0
69.03445	2.9
71.01375	47.8
71.51607	2.2
72.99275	6.4
73.02940	33.5
75.00879	2.6
83.01406	8.1
85.02959	9.8
87.00892	10.8
89.01938	2.8
89.02442	32.5
93.03458	15.5
95.01346	2.6
95.04999	2.2
96.95922	1.6
99.00870	3.0
101.01817	2.2
101.02438	39.9
103.84774	1.7
111.04495	1.7
113.02452	18.5
113.03568	1.7
119.03475	13.8
119.04979	2.6
121.06598	14.6
122.82035	1.6
125.06078	100.0
126.06411	2.4
131.03476	2.0
135.04539	3.1
137.02393	6.6
143.03384	2.3
149.04526	2.4
151.03941	2.0
151.07639	29.7
157.42683	2.2
161.04491	2.9
169.08676	16.8
176.04686	2.0
177.05469	1.8
179.03407	2.3
179.05582	2.7
183.06509	1.8
191.05600	19.8
192.05948	14.8
193.08604	2.5
211.09843	2.0
213.07672	73.0
213.33356	1.7
214.07919	4.6
222.05141	6.1
228.10197	1.8
237.07669	13.1
238.97054	2.0
255.08705	3.4
255.12225	2.2
354.08856	5.8
357.11859	20.1
358.11948	2.1
375.12671	4.1
381.07605	1.7
399.16623	2.1
417.13705	65.6
418.13947	6.3
440.03085	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30796	1.6
51.51291	1.6
53.96235	1.6
55.01867	1.9
58.00563	2.5
59.01378	85.2
61.10802	1.7
61.98823	17.2
62.55017	1.7
65.03944	4.0
69.03445	2.9
71.01375	47.8
71.51607	2.2
72.99275	6.4
73.02940	33.5
75.00879	2.6
83.01406	8.1
85.02959	9.8
87.00892	10.8
89.01938	2.8
89.02442	32.5
93.03458	15.5
95.01346	2.6
95.04999	2.2
96.95922	1.6
99.00870	3.0
101.01817	2.2
101.02438	39.9
103.84774	1.7
111.04495	1.7
113.02452	18.5
113.03568	1.7
119.03475	13.8
119.04979	2.6
121.06598	14.6
122.82035	1.6
125.06078	100.0
126.06411	2.4
131.03476	2.0
135.04539	3.1
137.02393	6.6
143.03384	2.3
149.04526	2.4
151.03941	2.0
151.07639	29.7
157.42683	2.2
161.04491	2.9
169.08676	16.8
176.04686	2.0
177.05469	1.8
179.03407	2.3
179.05582	2.7
183.06509	1.8
191.05600	19.8
192.05948	14.8
193.08604	2.5
211.09843	2.0
213.07672	73.0
213.33356	1.7
214.07919	4.6
222.05141	6.1
228.10197	1.8
237.07669	13.1
238.97054	2.0
255.08705	3.4
255.12225	2.2
354.08856	5.8
357.11859	20.1
358.11948	2.1
375.12671	4.1
381.07605	1.7
399.16623	2.1
417.13705	65.6
418.13947	6.3
440.03085	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03474	0.7
58.00587	1.0
59.01376	100.0
61.98825	11.9
71.01377	27.3
72.99337	1.8
73.02934	3.9
74.36764	0.7
83.01395	2.3
85.02951	6.7
87.00869	1.8
89.02440	22.7
95.01424	1.2
99.00894	2.3
101.02442	17.8
111.00888	0.8
113.02441	11.1
118.98060	0.8
119.03509	10.9
123.04543	2.9
125.02451	1.0
143.03503	2.7
146.17329	0.7
149.04587	0.8
159.02986	1.2
161.04541	19.1
177.09178	4.8
179.05609	6.5
191.05609	1.3
195.10281	1.6
295.07681	1.1
357.15533	31.7
358.15912	2.7
417.10367	0.9
417.17743	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	417.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01701	1.0
69.60565	4.5
71.01386	8.0
73.02953	2.0
73.73383	1.0
85.02943	3.1
89.02440	1.4
101.02408	5.3
113.02434	3.4
117.95991	0.9
119.03494	1.6
145.02896	1.7
150.11604	0.9
187.47142	1.0
195.42619	1.0
196.13040	1.0
294.27179	0.9
331.17560	3.1
337.76715	1.1
386.44449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01701	1.3
61.98828	9.6
69.15504	11.4
71.01374	12.8
73.02949	8.9
78.46932	1.0
83.01408	1.4
85.02955	2.7
87.00909	1.2
89.02432	6.4
101.02439	11.4
107.04998	6.7
113.02463	6.5
119.03484	3.5
131.03526	1.7
135.04530	1.3
150.03160	1.1
161.04559	2.2
165.05511	1.7
194.14185	1.0
204.71793	1.1
204.99448	1.1
298.08441	1.4
313.10721	2.1
373.18695	1.5
412.33414	1.4
417.11771	8.4
418.12003	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01712	1.2
61.98840	3.8
71.01376	1.1
71.19213	0.7
71.19556	0.6
83.01388	0.8
90.56726	0.5
92.96291	0.4
105.94042	0.5
121.02959	0.7
215.15961	0.4
232.41759	0.5
307.18665	0.5
343.24826	1.0
371.15146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01710	1.0
69.52230	1.9
69.52611	0.7
78.57819	0.3
98.20644	0.7
136.79736	0.3
183.28093	0.3
227.80672	0.3
357.13504	0.4
407.34747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58642	1.3
59.01376	100.0
68.95397	1.2
69.15105	6.4
69.15541	5.6
70.55756	1.3
89.99571	1.3
93.28565	1.3
99.50053	1.2
102.32947	1.2
103.00803	1.3
116.54253	1.3
124.75150	1.2
194.84418	1.3
275.00876	1.4
417.33655	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	418.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01071	1.1
59.01377	29.3
61.98827	100.0
69.54166	4.7
71.01376	0.8
83.01382	2.7
83.25845	0.9
83.56755	0.8
87.04512	4.3
88.75692	0.7
98.20569	1.4
101.02465	0.8
136.05382	0.7
159.04532	0.8
161.02591	0.8
222.07350	0.7
325.89514	0.7
347.89279	0.8
355.11938	1.1
357.13196	0.8
371.15146	0.9
372.15402	0.8
388.14990	2.1
394.37317	0.7
403.17279	0.9
418.19620	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	419.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67703	0.9
52.99603	0.8
56.41536	0.8
57.11939	0.7
59.01375	38.8
60.01692	1.2
61.98541	1.3
61.98830	20.2
71.01375	2.2
71.52156	1.1
71.52528	1.0
83.01391	0.9
84.65976	1.0
85.27180	0.8
92.05054	1.5
100.59479	0.8
108.04559	1.2
120.04533	4.0
122.06113	3.2
132.04478	1.3
133.01622	0.9
142.39949	0.9
146.02478	1.0
147.03258	10.4
148.04037	8.5
150.05600	2.3
175.02705	4.7
176.03542	11.2
177.03925	1.0
179.05795	2.1
184.06374	1.8
187.08853	1.5
190.05028	1.2
197.07179	1.3
198.05617	2.3
199.08707	2.4
206.04588	2.6
207.05304	1.0
210.07625	1.0
210.66501	1.0
212.05771	1.0
212.10789	2.1
213.10222	1.4
215.08339	1.7
215.11876	10.1
225.06653	3.1
225.10278	3.5
226.07385	1.7
227.04659	3.2
227.08252	3.0
227.11855	2.7
228.05371	4.0
237.10287	1.5
238.07414	2.7
239.08284	1.0
240.09030	3.9
241.07603	1.5
241.09732	4.9
242.07040	1.7
243.07733	7.7
243.11441	2.1
253.09819	6.3
254.08154	1.2
255.07640	1.4
255.08838	1.0
255.11366	7.8
256.09735	3.7
263.08228	1.3
265.06180	2.4
266.06885	16.1
267.07425	1.9
269.05676	3.1
269.09250	2.4
271.07339	1.5
271.10760	7.2
280.08374	1.1
281.09283	45.6
282.09619	3.4
283.07266	1.9
284.08029	2.2
297.08685	1.7
298.06094	1.1
299.10367	15.7
300.10690	2.4
303.09534	1.4
307.06998	1.4
310.27228	0.9
313.12003	1.9
325.08264	3.1
331.12906	1.6
343.09302	3.0
357.10870	3.1
359.08377	1.1
369.07455	1.2
375.11887	5.2
387.08401	6.8
401.09848	2.4
419.10913	100.0
420.11322	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	419.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26851	0.7
59.01377	5.2
61.19100	0.7
61.98825	4.1
70.76959	2.2
71.01365	1.1
74.76455	0.8
87.00871	0.8
100.27315	0.7
108.04502	0.7
115.00373	0.8
147.03270	1.5
148.04027	1.2
149.06123	0.8
149.59215	0.7
150.05576	1.7
160.04065	1.3
174.05632	1.5
175.02560	1.0
176.03601	1.1
182.06107	1.6
183.06831	2.8
192.06583	0.7
195.06851	1.3
195.40686	0.7
198.05605	24.8
199.06183	2.2
208.68086	0.8
208.77782	0.7
210.09225	6.3
212.10774	3.0
213.02972	3.9
213.07947	1.6
215.11865	0.9
225.06709	2.1
226.05119	10.3
227.05946	9.6
228.05368	50.5
228.10072	3.6
229.05704	3.7
236.05563	2.1
238.07381	3.5
238.09183	1.2
240.06889	1.3
240.09009	1.8
241.07410	2.5
242.06944	1.5
243.07712	37.1
244.08037	3.2
253.09795	10.0
255.08931	4.6
255.11362	5.2
256.09769	19.5
257.09741	2.8
265.06110	4.3
266.06921	22.3
267.07224	2.5
271.10867	9.3
275.91550	0.8
281.09286	21.4
282.09833	1.3
298.05957	2.3
299.10349	100.0
300.10641	9.5
331.77957	0.8
343.09305	15.9
344.09607	1.4
375.11813	1.5
387.08334	12.5
388.08646	1.4
419.10886	10.6
420.11551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01822	0.8
59.01376	14.7
61.98817	0.9
71.01376	2.0
74.55891	0.9
75.73043	0.9
81.84604	0.8
87.00844	0.9
89.02454	1.0
92.05050	1.9
95.81322	0.9
98.19946	2.2
114.44650	0.9
114.84387	0.9
120.04531	2.7
122.06104	2.8
132.04494	1.4
134.53317	0.9
147.03267	9.2
148.04045	6.5
148.07660	0.9
149.34071	1.0
150.05644	1.2
163.45573	0.9
164.03456	1.0
175.02695	3.1
176.03558	7.3
179.05859	1.5
181.18045	0.8
195.06601	1.3
198.05756	2.0
198.07971	1.5
199.08725	2.9
200.10805	1.3
203.23238	0.9
206.04536	2.4
210.07791	1.0
211.08813	0.9
212.05843	1.4
212.10942	1.7
213.10272	1.7
215.08331	1.4
215.11894	7.9
225.06662	2.6
225.10274	2.8
226.05162	1.3
226.07321	1.6
227.04652	2.8
227.08244	2.7
227.11946	2.8
228.05334	2.3
237.10229	1.2
238.07391	2.2
239.08160	1.2
240.08997	3.9
241.09731	4.4
242.06996	1.4
243.07678	6.6
243.11377	2.3
251.04649	1.0
252.13930	1.1
253.09827	4.7
255.07674	1.8
255.11368	6.2
256.09805	2.0
265.06155	2.4
266.06924	11.8
267.07458	1.7
269.05634	3.3
269.09088	1.2
271.10968	6.3
281.06271	1.8
281.09286	30.9
282.09653	3.1
283.07275	1.4
284.08072	1.9
299.10349	13.9
313.11893	2.8
325.08224	3.2
331.12885	1.5
333.14957	0.9
343.09299	5.0
357.10779	2.0
375.12015	5.2
383.17285	1.4
387.08313	5.3
401.09750	1.4
419.10910	100.0
420.11273	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.8
58.25412	1.4
59.01379	100.0
61.98815	6.6
62.94791	1.2
64.79262	1.5
69.63580	9.5
71.01379	33.9
72.99288	2.5
73.02941	4.0
85.02946	11.1
87.00872	5.0
89.02448	22.1
89.75084	1.5
91.34982	1.4
99.00890	2.7
101.02446	19.5
109.70953	1.4
113.02441	12.8
119.03516	9.1
121.06602	2.1
122.03751	2.5
132.30782	1.5
135.04535	7.8
139.07603	2.9
153.05550	1.7
161.04663	1.9
161.06062	4.5
163.07628	2.3
165.05580	3.4
169.03360	1.5
179.03381	1.7
179.05626	2.7
179.07132	2.5
182.05823	6.3
183.06516	2.8
184.10719	1.3
191.05559	10.0
192.05902	5.2
193.06059	4.3
194.06299	5.2
197.08200	17.3
213.61809	1.5
279.15091	1.6
327.10812	47.7
328.11136	4.2
359.13419	48.7
360.13593	4.9
372.57947	1.5
419.15616	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56170	1.5
57.03423	1.7
58.00585	3.1
59.01377	100.0
61.98837	11.7
71.01379	51.8
71.17708	3.1
72.99304	3.4
73.02930	2.0
83.01377	2.7
85.02946	7.9
87.00846	5.7
88.98775	2.1
89.02438	75.9
95.01387	3.5
96.96020	1.5
101.02431	28.7
102.98576	5.3
113.02444	23.5
119.03490	38.4
120.99654	3.1
131.03471	4.7
135.04524	1.8
143.03453	5.4
149.02409	6.1
149.04498	4.9
153.44627	1.6
161.04605	7.6
164.04774	30.6
179.05560	17.2
179.07097	43.3
197.08141	3.8
214.29578	1.7
225.53844	1.5
283.04816	6.4
306.07770	2.0
359.13507	15.2
360.13907	2.4
374.91516	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95819	0.2
59.01376	100.0
60.01709	1.0
61.85995	0.2
61.98824	0.3
62.25912	0.2
69.41930	1.8
71.01379	1.0
72.31488	0.3
73.02939	0.6
85.02940	0.6
89.02422	0.3
93.74895	0.2
95.01428	0.3
98.20742	0.3
101.02468	1.0
110.87286	0.2
111.42477	0.2
113.02432	0.4
135.04543	0.2
137.02467	0.9
266.07068	0.2
281.09418	0.7
291.37381	0.2
298.67218	0.2
299.10623	0.3
317.16055	0.5
334.00204	0.3
349.97183	0.3
378.42038	0.3
419.19302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01702	0.9
61.98829	1.0
71.01394	1.0
85.02962	0.6
86.34505	0.3
90.43887	0.3
93.03477	0.8
93.84488	0.3
98.19911	0.6
101.02443	0.7
113.02466	0.7
137.02377	1.8
187.51558	0.3
214.93176	0.3
295.13980	0.4
317.16116	0.7
359.17474	0.4
403.97540	0.3
417.69360	0.4
419.13885	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75554	1.2
53.84350	1.2
59.01377	100.0
61.98820	4.1
69.83146	5.3
71.01377	5.4
73.02933	2.7
75.60517	1.2
85.02911	2.7
89.02442	2.6
91.32338	1.1
98.19967	2.0
101.02434	5.7
105.83354	1.3
109.17133	1.2
113.02460	1.6
154.73534	1.2
161.04535	1.8
274.32700	1.3
315.21149	1.4
333.19110	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	419.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	94.0
60.01706	1.2
61.34252	0.4
61.98825	47.2
63.30309	0.4
71.01379	1.7
71.36652	0.4
71.53164	0.5
73.02925	0.5
78.67857	0.4
79.95657	0.5
83.01382	1.1
85.02964	0.4
87.04507	100.0
88.04844	2.4
89.94723	0.4
96.11555	0.4
96.96014	0.5
101.02424	1.1
113.02457	0.7
278.76617	0.4
356.12189	0.5
377.25311	0.8
410.58310	0.5
430.55115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	94.0
60.01706	1.2
61.34252	0.4
61.98825	47.2
63.30309	0.4
71.01379	1.7
71.36652	0.4
71.53164	0.5
73.02925	0.5
78.67857	0.4
79.95657	0.5
83.01382	1.1
85.02964	0.4
87.04507	100.0
88.04844	2.4
89.94723	0.4
96.11555	0.4
96.96014	0.5
101.02424	1.1
113.02457	0.7
278.76617	0.4
356.12189	0.5
377.25311	0.8
410.58310	0.5
430.55115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	94.0
60.01706	1.2
61.34252	0.4
61.98825	47.2
63.30309	0.4
71.01379	1.7
71.36652	0.4
71.53164	0.5
73.02925	0.5
78.67857	0.4
79.95657	0.5
83.01382	1.1
85.02964	0.4
87.04507	100.0
88.04844	2.4
89.94723	0.4
96.11555	0.4
96.96014	0.5
101.02424	1.1
113.02457	0.7
278.76617	0.4
356.12189	0.5
377.25311	0.8
410.58310	0.5
430.55115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38241	0.3
57.67442	0.4
59.01376	100.0
60.01706	0.9
61.98825	7.5
64.10870	0.4
69.60406	0.4
71.01379	1.4
71.51965	0.5
71.52412	0.5
73.02927	0.5
85.02947	0.8
86.03398	0.4
90.61007	0.4
96.96044	0.5
101.02460	0.7
101.22897	0.3
105.68018	0.4
112.66584	0.4
113.02429	0.5
218.51807	0.5
329.13843	0.4
354.14786	0.4
377.25577	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68198	1.0
59.01348	1.2
61.04926	1.0
61.98828	100.0
68.48673	1.1
90.72226	1.1
91.36657	1.3
106.12659	1.0
122.81408	1.1
135.82199	1.4
199.41382	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56932	0.3
55.41153	0.3
59.01382	4.6
60.01715	0.4
61.98828	100.0
70.69934	0.6
70.70291	0.6
71.12150	0.3
83.98549	0.3
87.04515	1.8
88.04845	0.7
93.99565	0.3
114.90315	0.3
152.04929	0.3
152.74529	0.3
207.09944	0.3
434.52832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.8
60.01706	2.1
61.98826	100.0
62.24816	0.3
71.52272	0.3
90.45428	0.3
100.00400	1.5
121.03008	0.3
384.07632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49292	6.9
59.01373	100.0
61.98830	57.5
65.03953	25.1
69.01897	7.3
69.03445	23.0
69.54849	15.7
69.55257	29.7
71.01378	54.1
72.99291	16.8
73.02927	10.5
75.08614	6.9
81.03448	20.3
83.01364	12.0
85.02943	8.7
89.02432	20.4
91.05518	10.8
93.03442	75.3
95.05011	18.6
96.95998	6.8
97.02943	14.3
101.02433	23.8
107.05003	55.7
108.02170	9.5
109.02953	49.2
109.06588	20.6
112.13337	7.0
113.02420	15.6
119.03483	6.9
119.04999	33.1
121.02957	9.2
121.06548	8.4
123.04505	18.4
125.06105	37.6
133.02896	8.4
135.04488	47.9
137.06088	35.6
139.04001	10.6
139.07541	8.7
141.05566	8.7
151.03961	26.8
153.05515	22.4
163.07605	7.9
165.05403	10.7
169.04979	14.3
179.03482	16.2
181.05019	24.9
195.02864	16.4
197.04576	46.7
199.05969	15.9
207.06511	9.9
257.69366	7.5
264.10092	7.6
305.12903	7.8
344.10828	7.7
344.71979	8.3
375.09299	18.4
386.70334	7.8
401.06046	8.2
421.09839	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73615	1.3
57.03434	5.9
58.02952	2.7
59.01377	31.1
60.52342	1.3
61.98835	8.3
62.19738	1.2
69.60107	7.2
70.02972	11.2
71.01388	9.9
71.05006	13.2
71.37763	1.5
73.02940	2.6
74.09642	1.3
83.01389	1.5
83.05011	4.1
85.02949	4.0
87.05616	4.7
87.17198	1.4
89.02445	7.9
99.04505	5.4
101.02440	10.0
108.02178	2.5
113.02437	4.3
115.10297	1.3
116.07121	2.5
119.98686	1.5
122.02467	6.5
123.02826	2.5
125.09732	1.4
129.05565	2.2
130.03317	8.6
130.78268	1.4
137.09756	6.6
146.08220	78.9
147.06009	2.9
147.08549	1.8
161.02509	1.9
161.04520	5.0
179.05579	2.3
181.08691	32.1
182.08969	1.5
191.05476	2.3
199.09714	8.0
217.11914	15.6
218.36794	1.3
277.12231	100.0
278.12424	6.2
306.07306	1.9
314.89520	1.5
361.14993	29.2
361.19458	1.5
362.15039	3.2
385.11264	2.0
421.12070	3.2
421.16650	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	421.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79457	4.6
55.77938	5.7
59.01376	100.0
59.85084	4.7
61.98811	38.6
62.22245	5.2
69.49538	43.8
71.01382	20.1
72.99291	16.9
73.02946	13.6
75.00879	15.6
85.02906	12.9
85.85868	5.1
87.00882	10.8
89.02435	13.2
93.03468	5.8
93.22200	5.0
100.09890	4.9
101.02438	13.1
105.01934	32.5
113.02438	11.5
115.00246	5.1
123.04530	5.2
123.05514	5.7
133.02991	8.8
135.04494	15.2
139.94395	5.6
140.23499	5.8
149.02451	5.5
150.03165	7.7
161.02470	13.1
161.04601	4.9
165.05524	16.0
167.03461	14.4
174.73264	5.7
175.13911	6.4
179.03448	7.4
229.08919	5.9
281.09293	6.6
283.09674	6.7
309.36481	6.8
361.18454	9.0
400.12616	6.7
421.16260	49.1
421.21014	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	421.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81620	1.9
59.01375	100.0
60.01720	1.6
63.30315	1.5
69.41253	11.1
71.01379	6.8
71.30626	1.8
73.02913	2.6
85.02942	4.4
93.87493	1.7
98.20567	4.3
101.02425	5.5
105.85628	1.9
113.02442	2.3
151.54739	1.7
161.04558	2.8
161.98676	1.8
317.19598	2.0
335.20685	7.5
344.64099	2.0
367.98929	2.0
377.22171	2.1
448.92496	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	421.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20138	0.6
55.01874	5.8
57.03446	5.2
57.33052	0.6
58.00586	1.7
59.01377	45.7
59.44593	0.6
60.01698	0.8
60.22355	0.6
61.98822	3.5
68.99793	0.7
69.03439	2.1
71.01379	91.9
71.52284	0.9
72.01717	1.2
72.99290	3.2
73.02944	36.1
75.00870	3.0
81.03462	1.3
83.01381	13.5
85.02946	41.6
86.03262	1.1
87.00877	4.4
89.02439	18.4
90.02799	0.6
92.54956	0.7
95.01378	5.3
96.13004	0.7
97.02926	5.4
98.85772	0.9
99.00879	18.4
99.04500	1.1
101.02435	57.9
102.02757	1.1
103.97378	0.7
111.00871	1.9
113.02444	33.8
114.02764	0.9
114.70168	0.8
115.04004	2.3
119.03523	1.2
125.02447	6.8
127.11294	2.2
129.01901	2.0
131.03510	4.6
143.03468	4.7
149.04567	3.5
159.02975	5.9
161.04547	33.2
162.04883	1.4
176.03995	0.7
188.64409	0.7
191.05615	6.0
205.03600	1.1
233.06647	7.3
263.46573	0.7
289.16556	76.2
290.16898	5.7
293.08713	2.4
421.20743	100.0
422.21094	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	421.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01722	1.1
61.98840	1.0
68.48721	0.4
69.57166	0.4
71.01384	1.7
73.02950	0.7
82.57963	0.4
83.01394	0.6
85.02949	1.0
85.29940	0.5
89.02467	0.7
90.66999	0.5
93.03467	0.6
95.01424	0.5
101.02460	1.9
109.02924	0.8
113.02443	1.0
121.02940	0.5
161.04565	1.3
164.07202	0.5
301.16571	1.1
318.44125	0.6
319.17532	3.9
361.18619	7.1
362.19073	0.9
421.11502	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.7
68.95257	0.7
69.03426	0.8
70.78202	1.9
76.71867	0.8
80.91667	3.1
92.55135	0.6
133.50922	0.7
163.11276	100.0
164.11583	5.9
170.53336	0.8
182.85887	0.7
212.88852	0.8
303.47708	0.7
339.23254	77.1
340.23477	7.0
421.22400	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58899	0.3
57.45906	0.3
59.01372	5.4
59.58653	0.3
60.01698	0.4
61.98828	100.0
71.01405	0.9
71.51002	0.5
73.02953	0.4
87.00877	0.5
88.98827	1.3
89.02461	1.0
96.96039	0.6
101.02462	0.9
113.02395	0.5
128.03535	0.5
136.89302	0.3
143.04655	0.4
161.04672	0.4
164.13876	0.3
223.07805	0.4
254.08165	0.4
308.07608	0.6
362.15521	0.6
363.16629	0.4
426.62991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98833	24.5
71.01380	30.8
73.02951	9.8
75.00868	12.3
85.02943	8.7
87.00871	5.2
89.02441	38.1
99.75700	5.5
101.02438	22.5
111.15259	5.1
113.02442	14.2
118.98077	20.0
119.03493	12.0
122.02409	6.0
154.73740	5.0
165.05591	9.3
166.06616	5.6
171.10266	8.8
179.05533	6.7
195.06598	9.1
207.10277	8.9
243.12311	10.6
247.14653	6.1
274.99518	4.5
277.05658	11.8
286.23557	4.8
363.16534	30.2
387.16653	86.1
423.12692	13.6
423.18060	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	423.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67822	4.2
59.01376	100.0
61.98824	8.0
65.30756	4.5
67.01885	4.1
69.53120	30.7
71.01377	19.5
75.52663	3.8
78.31144	4.1
85.02959	4.0
89.02441	19.7
101.02430	6.9
113.02425	8.9
119.03480	9.0
149.02368	9.0
150.03204	11.4
151.00392	4.9
153.05592	5.3
157.36932	4.5
163.11266	5.8
165.05518	11.0
195.06665	6.4
201.11395	5.2
207.06456	5.1
208.52643	4.1
218.26343	4.3
225.11270	8.2
331.11768	5.6
363.16574	8.2
381.75211	4.8
387.16687	10.3
423.09439	7.2
423.18127	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	423.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24698	15.1
52.10052	14.0
52.99584	13.7
59.01369	31.4
61.98824	23.7
69.60571	22.9
69.60979	59.1
73.88198	13.5
78.05841	11.7
82.78789	13.6
118.98124	14.8
173.08083	15.9
222.72946	15.6
243.12207	25.1
323.52444	13.1
358.39856	13.9
423.17923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76318	9.8
59.01378	100.0
61.98801	17.4
64.07363	12.2
69.76585	48.4
71.01382	35.2
86.79683	10.7
89.02455	34.1
98.20695	19.8
101.02464	19.4
111.55576	9.9
113.02431	21.2
118.98111	27.9
171.61371	12.0
179.05473	11.4
363.16492	46.2
387.16602	40.7
410.63898	10.7
423.12280	21.8
423.17883	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82352	1.2
59.01391	13.2
61.98842	1.6
62.40643	1.3
65.03957	27.5
68.99815	2.4
69.03455	6.9
71.01375	13.5
71.27941	2.5
73.02941	3.0
73.04486	1.2
83.01399	1.9
85.02940	3.2
89.02432	4.8
90.23485	1.3
93.03465	4.3
95.05023	3.4
99.00845	1.6
101.02422	6.9
113.02455	5.0
119.03544	1.9
119.05008	3.3
121.06583	17.2
129.48169	1.2
139.04005	40.9
154.27852	1.3
165.05568	24.5
183.06607	24.2
209.04533	5.2
227.05547	2.9
311.33295	1.4
345.11887	24.7
389.10880	100.0
390.11179	10.0
399.61575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
57.03445	2.3
57.23094	1.7
58.00596	2.1
59.01072	2.4
59.01375	51.2
61.98824	22.7
62.42452	1.8
70.10116	1.6
71.01379	50.2
71.52080	2.1
71.76549	1.6
73.02943	20.3
83.01387	7.9
85.02943	26.6
87.00882	4.0
89.02460	10.2
93.03457	2.4
95.01418	4.5
96.96014	3.8
97.02979	3.0
99.00879	7.9
100.00423	2.0
101.02435	45.5
113.02443	20.6
116.92916	2.3
120.99612	1.8
125.02485	2.0
147.03008	1.6
147.97214	1.8
149.04555	2.1
156.71243	1.8
159.03038	4.6
161.04532	26.5
169.55995	1.7
179.05612	2.6
191.05551	3.5
199.54472	1.7
212.01355	1.7
233.10278	100.0
234.10655	3.3
365.14432	85.2
365.17892	4.2
366.14960	8.8
389.10678	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	425.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13429	0.7
53.27116	0.8
54.78368	0.6
59.01374	100.0
60.01696	1.1
61.98822	5.7
66.97614	0.6
70.93884	1.1
70.94196	0.8
71.01378	10.4
72.26672	0.6
73.02941	3.0
83.01389	0.8
85.02930	4.3
85.73589	0.6
87.00867	1.5
89.02463	4.9
95.01408	1.5
99.00896	1.6
101.02448	10.0
113.02449	4.3
119.03465	1.6
143.03529	0.9
159.02979	1.6
161.04523	12.6
161.05734	1.1
365.18118	27.6
366.18591	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	426.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96666	0.2
59.01374	1.9
61.98828	100.0
73.02965	0.2
76.21922	0.2
84.12312	0.2
84.88499	0.2
85.35548	0.2
87.59138	0.2
93.03460	2.2
98.20713	0.7
116.03251	0.2
135.34932	0.2
137.02443	3.8
161.02492	0.5
187.29190	0.2
203.03569	0.5
223.18059	0.2
229.82059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57061	1.0
59.01106	1.8
59.01376	20.4
60.99311	9.2
61.98825	3.2
62.91094	1.0
70.64366	1.1
70.64677	2.2
71.01382	5.1
72.99305	2.1
73.02951	1.3
80.21247	1.2
85.02956	8.0
87.00872	2.5
88.98800	62.8
89.02459	3.0
93.03458	2.3
101.02441	4.0
113.02443	3.6
117.03483	1.1
119.03517	2.1
119.05022	6.2
127.04020	1.4
128.89224	1.2
135.04483	1.3
135.39513	1.1
145.02936	6.8
161.02417	4.6
161.06001	1.2
163.03964	8.1
177.05571	1.8
179.03448	2.3
186.94916	1.2
191.05602	100.0
192.05927	3.9
203.10663	1.2
205.04955	1.1
223.33360	1.3
281.08856	5.7
337.09256	24.8
338.09561	2.8
352.29260	1.2
375.36874	1.2
381.17459	2.1
398.26968	1.1
427.11707	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19452	1.4
55.01850	1.2
56.58516	1.4
57.03432	3.2
59.01371	50.4
61.98546	1.3
61.98829	18.1
67.01872	3.4
68.99795	4.3
69.03434	2.8
71.01375	27.7
72.99297	3.1
73.02940	6.4
73.71988	1.3
78.36251	1.5
83.01363	3.0
85.02940	23.9
87.00845	6.0
88.98772	3.2
89.02422	7.0
91.03987	2.4
93.03432	2.4
95.01353	5.3
98.19882	3.2
99.00865	2.1
101.02441	7.8
111.00838	3.9
113.01732	1.9
113.02447	28.2
117.03420	7.6
119.03577	3.3
119.05011	83.9
120.05369	3.1
121.02942	1.9
129.01863	2.2
133.02917	3.0
135.04478	4.1
137.02426	2.3
139.00317	2.1
143.03444	1.6
145.02942	45.2
161.02417	2.4
163.03995	100.0
164.04288	4.1
167.73190	1.6
174.21686	1.5
179.03477	1.6
183.06470	1.7
191.05528	3.9
193.12267	1.9
203.10680	1.5
205.05051	1.5
205.07051	3.2
205.12267	1.8
237.07541	4.3
249.06157	11.0
263.07657	16.3
281.08740	74.4
282.09027	4.0
309.33832	1.5
311.75906	1.4
351.10825	7.6
365.17969	5.1
367.17349	2.9
389.17908	4.0
395.09586	5.2
396.09818	1.6
427.06720	2.9
427.12189	53.8
428.12357	4.9
454.37219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03435	2.1
58.00590	1.9
58.81844	1.0
59.01376	100.0
60.92170	1.2
61.98805	3.4
69.48343	5.8
69.48754	2.6
71.01380	48.6
72.99299	4.1
73.02935	4.4
76.61333	1.1
76.82413	1.0
79.05523	1.7
83.01382	4.0
85.02937	8.5
87.00883	1.2
89.02442	54.7
89.77432	1.2
91.05507	1.1
95.01363	3.3
97.02930	4.8
99.04517	37.9
101.02431	26.4
104.85164	1.1
106.98491	1.0
111.04482	1.1
113.02439	18.3
113.14816	1.0
117.03392	1.1
119.03499	23.3
123.04488	1.5
128.83893	0.9
129.07065	2.4
129.66208	0.9
129.70686	0.9
131.03494	1.7
134.03693	1.4
143.03464	3.0
143.08682	1.2
145.03006	2.6
149.04478	2.1
159.10471	1.6
159.11780	33.6
160.12094	2.4
161.04521	4.1
161.09737	2.8
170.61108	1.2
179.05606	9.2
198.32498	1.1
203.10768	58.5
204.11084	2.3
247.09727	61.0
248.10037	4.6
324.97668	1.3
427.15973	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	427.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.8
57.03436	2.4
59.01373	29.2
61.98823	2.0
64.88438	0.9
69.36364	0.9
69.36847	3.1
69.37272	4.0
71.01377	26.6
73.02938	12.4
83.01370	7.6
84.73681	0.9
85.02937	14.7
87.00874	2.2
88.98797	3.2
89.02451	5.2
95.01377	1.8
98.20689	2.1
99.00855	4.2
101.02435	37.6
113.02446	13.6
119.02143	0.9
131.03484	1.5
159.02963	2.7
161.04562	12.8
161.86348	0.9
162.06833	0.9
199.89191	0.8
220.03751	1.6
235.11833	100.0
236.12225	5.4
265.07187	1.9
328.62766	1.0
367.16046	70.1
368.16354	5.4
423.62863	1.0
427.11819	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42831	1.1
55.01878	2.0
57.03442	2.9
58.00585	1.1
59.01072	2.3
59.01372	46.5
59.82742	1.0
60.99308	5.2
61.98824	30.2
67.68443	1.0
69.03437	2.0
69.36932	7.9
71.01381	36.1
72.99301	1.5
73.02945	13.9
83.01381	7.6
85.02946	19.2
87.00871	3.8
88.98803	38.6
89.02422	6.6
95.01395	3.1
96.97499	1.1
97.02953	1.7
98.19984	2.4
99.00885	7.1
100.53156	0.9
101.02435	45.0
101.03104	2.2
106.76917	1.1
113.02439	17.5
119.03490	1.2
119.05016	12.6
120.72788	1.0
125.02461	2.0
129.01967	1.4
131.03397	1.2
133.02928	2.6
135.04532	3.0
143.03477	2.6
145.02948	3.3
159.02942	3.3
161.02394	3.4
161.04544	18.1
162.06813	4.1
163.03986	15.0
164.04483	1.6
176.04726	2.4
177.09132	1.6
179.03572	1.4
191.05437	1.6
203.03380	1.9
203.07108	1.6
205.05093	1.4
206.05824	1.8
211.00899	1.2
220.03728	13.0
221.04507	1.3
221.08116	2.3
229.01343	1.2
235.06166	7.3
235.11833	100.0
236.12192	6.1
250.04909	2.4
265.07150	22.8
266.07568	1.7
281.08698	1.4
367.16031	85.4
368.16428	7.6
427.12000	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	427.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
57.03442	1.1
58.00584	0.9
59.01375	100.0
60.01702	0.7
61.98824	3.6
65.49946	0.3
69.03465	0.5
69.19856	0.3
69.20147	3.2
71.00959	0.4
71.01054	0.3
71.01378	23.3
72.99308	2.5
73.02941	25.1
75.00880	0.5
83.01381	7.2
85.02938	4.9
87.00891	1.0
89.02437	11.4
95.01398	1.6
97.02945	0.4
99.00916	0.7
99.04539	0.4
101.02435	21.0
105.01944	0.6
105.39931	0.3
111.00900	0.4
113.02439	11.2
117.03493	0.3
119.03495	4.4
119.05104	0.3
123.08169	0.8
125.02457	0.9
127.16572	0.3
131.03487	2.0
134.03716	0.4
135.04535	0.5
137.02356	0.4
140.71022	0.3
143.03470	1.9
143.51321	0.3
145.02953	2.1
147.02980	0.7
149.04597	1.5
153.09163	0.7
155.03577	0.6
161.01111	0.4
161.02461	1.5
161.04552	5.6
163.04024	0.8
165.09207	1.0
169.42522	0.3
175.03937	0.5
175.11256	0.4
179.03520	0.6
179.05588	1.7
193.05112	0.5
203.03638	0.4
203.05750	0.4
205.12401	1.2
223.13455	1.2
235.06094	0.7
247.13409	0.5
265.07199	0.4
295.08295	0.5
334.53265	0.3
337.14636	0.3
367.17569	5.2
367.21899	0.4
368.17822	0.5
385.18604	5.5
386.19305	0.6
427.15585	1.0
427.20850	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1968
Annotation	Dentatin A
Peak:m/z	Relative Intensity
53.11210	0.4
55.01863	0.6
57.03439	1.3
59.01375	100.0
60.01699	0.7
61.98827	1.6
71.01376	14.9
71.47771	0.7
73.02936	6.1
73.32298	0.5
83.00970	0.4
83.01368	2.2
85.02941	5.3
85.03402	0.5
87.00852	0.6
89.02454	3.4
95.01411	1.2
97.02964	1.2
99.00877	0.8
101.02431	6.1
108.05815	0.5
113.02442	9.5
118.76595	0.4
119.03527	1.1
119.05041	1.1
123.08171	1.1
125.06068	1.0
136.05312	1.3
137.02443	1.1
137.06027	0.5
138.06871	5.2
139.07648	1.9
143.03574	0.6
145.02940	2.9
151.07622	4.9
151.92485	0.4
152.04845	0.7
152.08408	15.0
153.09200	28.6
154.09518	1.1
161.04562	3.9
161.06027	0.8
161.09647	0.4
163.04059	1.2
163.11259	1.1
165.09245	0.9
177.05519	0.5
179.03574	0.5
190.10066	0.5
205.12297	12.3
206.12640	0.5
223.13379	3.8
281.08847	1.7
365.17990	0.5
367.17551	13.7
367.21979	0.8
368.18063	1.5
385.18741	1.7
407.40802	0.4
427.12305	1.5
427.19815	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52164	0.9
55.92205	0.9
59.01377	100.0
69.36587	3.2
69.36996	3.3
71.01372	14.7
72.99304	1.3
73.02943	20.6
83.01374	4.4
85.02943	3.7
89.02441	5.9
99.01723	1.1
100.22775	1.1
101.02432	16.6
113.02439	8.4
118.57896	1.1
119.03522	1.7
119.29128	1.0
128.00926	0.9
131.03503	1.7
135.04524	1.7
149.04581	2.5
153.09189	3.0
161.02443	3.1
161.04536	5.5
165.09142	2.6
165.80237	1.3
179.03464	1.1
179.05598	1.4
193.12349	1.9
203.03362	1.3
203.05190	1.0
230.89127	1.0
232.89317	1.1
242.67433	0.9
326.29578	1.0
358.22726	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40133	0.4
55.01873	0.5
57.03430	1.0
58.00608	0.5
59.01376	100.0
59.86913	0.4
60.01715	1.2
60.47433	0.3
61.08794	0.3
61.98829	2.9
66.37652	0.4
69.13905	4.3
71.01374	14.2
72.99308	1.3
73.02941	5.7
75.00875	0.6
83.01398	1.7
85.02945	4.4
87.00877	0.8
89.02441	4.1
95.01392	1.8
95.04984	0.7
97.02959	1.1
97.53075	0.4
98.20667	1.0
99.00871	1.2
101.02431	7.6
108.05797	0.5
113.02436	10.0
113.03161	0.7
113.06123	0.7
115.78615	0.4
117.03441	0.6
119.03516	0.9
119.05047	1.4
121.02896	0.4
125.02526	0.5
125.06081	1.2
135.04541	0.6
136.05345	1.2
137.06172	0.5
138.06860	5.7
139.07652	1.4
143.03497	1.1
145.02983	3.3
149.06050	0.5
151.07620	4.9
152.08424	15.2
153.09206	29.3
154.09532	1.4
159.02953	0.5
161.02432	0.7
161.04578	3.5
163.04037	1.5
163.11308	0.7
165.09213	1.3
179.03517	0.8
189.09261	0.5
205.12306	12.0
206.12708	1.0
223.13368	3.8
224.17673	0.5
226.25307	0.4
247.09874	0.5
270.10275	0.5
281.08948	1.4
302.95248	0.4
365.18314	0.6
367.17575	14.1
368.17960	1.6
385.18692	3.0
427.12512	1.8
427.19977	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
59.01375	100.0
60.01714	1.2
61.98831	0.7
69.03445	1.2
69.35627	0.4
69.35946	3.6
71.01376	15.4
72.99303	1.2
73.02937	8.5
83.01408	3.0
83.05016	0.5
85.02946	4.2
87.00877	1.9
89.02428	3.5
95.01385	1.0
97.02974	0.6
99.00897	2.0
101.02432	8.3
107.05046	0.8
108.29962	0.5
111.00896	0.6
111.08192	0.8
113.02421	5.2
114.97343	0.5
119.03518	1.7
119.85162	0.5
131.03561	0.7
135.04547	1.4
137.09761	0.7
143.03523	0.7
149.04546	0.7
151.11292	0.8
153.09239	0.6
161.02397	0.7
161.04597	1.5
161.09717	0.6
163.11272	10.6
165.09216	1.0
179.03526	0.6
181.12318	24.5
182.12656	0.7
187.11256	3.4
189.12807	3.4
190.09987	4.0
203.05461	0.6
204.11577	0.6
205.12328	7.6
223.13475	1.6
229.12282	0.6
247.13405	1.7
351.81946	0.6
367.17691	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01698	1.0
61.98817	0.7
66.07413	0.4
91.03996	3.6
195.13907	0.8
208.56018	0.4
219.45880	0.6
275.20203	1.8
293.21198	11.7
294.21652	1.0
296.44669	0.6
429.39377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71292	0.8
59.01376	100.0
61.98824	1.7
66.66268	0.8
66.92408	0.7
70.34541	1.1
70.34888	2.5
70.86510	0.7
96.46392	0.7
136.07053	0.8
293.21268	6.3
300.61795	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03444	2.8
59.01375	18.8
59.22400	0.6
61.85234	0.7
61.98821	3.0
68.99844	0.8
69.03434	0.9
69.94560	2.9
71.01376	22.5
72.99311	3.2
73.02924	1.4
74.36019	0.6
75.00872	11.4
77.54234	0.7
83.01400	1.0
85.02943	19.4
87.00873	9.8
89.02438	9.7
89.02939	0.8
91.04006	1.0
95.01385	4.4
98.20569	0.8
99.00872	7.0
101.02429	3.2
103.00340	1.5
105.01888	0.7
107.05057	1.1
113.02442	32.9
115.00380	2.9
117.01921	2.4
118.98053	4.2
119.03496	0.9
129.01907	1.5
131.03531	1.2
133.02943	8.4
134.03731	2.4
135.03500	1.3
135.04517	21.0
148.61501	0.7
149.04585	1.2
157.01492	0.8
161.02428	29.5
161.09686	1.5
162.02870	0.8
165.05537	0.7
175.02473	5.2
179.03477	10.1
205.08714	1.7
207.05061	1.2
249.06093	5.3
253.07121	2.2
267.07181	100.0
268.07565	4.2
309.09848	0.8
385.15057	8.1
386.15195	1.0
411.09219	1.4
414.51263	0.8
429.10278	51.5
430.10779	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	429.1397
Annotation	Shermilamine C
Peak:m/z	Relative Intensity
54.52315	0.6
58.00595	0.6
59.01378	11.3
61.98825	1.6
65.30568	0.5
70.99709	1.3
71.01380	6.9
73.02947	1.6
75.00887	0.9
76.20085	0.5
85.02956	2.1
87.00927	0.5
89.02438	4.3
95.01375	0.9
99.00895	0.7
101.02436	3.8
113.02463	2.2
117.03458	22.6
118.98072	1.1
119.03481	0.9
119.05009	12.7
120.05392	1.0
121.05061	1.5
133.02951	4.9
134.00687	0.5
135.04512	1.5
145.02942	100.0
146.03297	4.8
161.01126	1.1
161.02429	16.3
161.04500	0.8
161.06042	1.5
162.02820	0.7
163.03992	25.5
164.04306	1.1
177.05557	0.6
205.04959	1.2
265.07077	0.9
393.61539	0.5
429.13828	65.9
430.14117	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	429.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
55.29813	0.7
57.03448	1.3
58.00592	3.5
59.01376	100.0
61.98823	0.8
64.18953	0.8
71.01377	44.3
71.24147	1.0
72.01730	1.3
72.99318	3.3
73.02962	1.8
81.07113	1.4
83.01380	1.5
85.02955	9.0
87.00893	1.9
89.02441	55.5
89.19935	0.9
95.01392	2.7
99.02100	0.7
99.04522	7.1
101.02438	23.2
109.02985	1.7
111.04501	1.1
113.02438	18.6
116.22521	0.7
119.03488	21.9
120.03883	1.0
123.04523	3.0
131.03513	2.3
135.11772	1.2
143.03482	3.9
149.04509	1.6
153.01956	2.5
159.50688	0.8
161.04552	4.0
161.09587	0.8
161.13353	15.4
179.05605	8.1
187.11310	1.9
205.12309	41.5
206.12729	2.6
213.64139	0.7
249.11295	56.8
250.11710	3.5
264.54028	0.8
301.42770	0.7
369.19818	1.0
387.95901	0.8
426.84799	0.7
429.17474	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	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29637	0.6
57.03439	0.9
58.00596	1.6
59.01374	100.0
60.01715	0.9
63.47878	0.5
64.83878	0.6
67.01250	0.7
69.28609	0.5
69.28953	5.1
71.01379	23.0
71.94852	0.6
72.99319	1.5
73.02937	6.8
78.81593	0.5
81.07117	0.8
83.01381	3.3
85.02941	5.7
87.00884	1.2
89.02439	23.5
90.30495	0.6
92.65617	0.5
93.37659	0.5
95.01398	1.4
98.19850	0.6
99.04490	3.5
101.02430	14.9
113.02437	10.0
119.03491	9.8
131.03523	1.9
143.03484	1.6
149.01233	0.6
149.04567	1.0
161.04546	3.8
161.13339	7.7
161.14429	0.6
162.13644	0.8
179.05605	3.7
187.11316	1.6
205.12311	20.4
206.12845	0.7
207.13884	1.0
211.06505	0.6
239.84518	0.6
249.08679	1.5
249.11290	31.9
250.11734	2.4
267.12320	1.0
309.57486	0.7
385.13293	0.8
429.17462	9.8
430.17993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42094	0.1
56.25020	0.1
59.01377	0.3
61.98821	0.2
70.73617	0.3
70.73938	0.2
88.11662	0.1
99.00896	0.3
99.91908	0.3
99.92574	5.2
100.92664	0.4
100.93352	4.6
115.92067	100.0
116.92081	4.7
116.92862	6.0
117.92910	0.2
132.92340	1.1
133.28737	0.1
142.94415	0.4
155.95247	0.2
159.27734	0.1
163.77213	0.1
172.95439	6.0
173.95529	0.3
211.94858	0.1
255.23286	0.7
355.15887	0.6
371.15448	0.3
381.17334	0.9
382.17880	0.2
411.18393	0.3
429.19434	6.6
430.19818	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03452	2.3
59.01376	100.0
60.01719	1.4
71.01380	18.1
72.99309	1.4
73.02942	6.6
82.61745	0.4
83.01373	3.4
85.02946	7.7
85.42815	0.4
87.00881	1.8
89.02444	3.2
95.01391	1.6
97.02948	0.6
99.00872	2.3
101.02441	11.3
108.91750	0.4
111.00875	1.0
113.02446	7.0
119.03519	1.2
125.02490	0.6
129.01959	0.7
137.09758	1.2
138.18983	0.5
143.03441	0.6
151.11324	0.8
153.09132	0.5
159.03062	1.3
161.04552	7.7
163.11328	0.8
179.05617	0.7
181.12405	0.9
189.12816	1.1
191.10849	0.7
207.13867	2.6
225.14929	6.5
369.19061	6.3
370.19412	0.6
387.20239	19.8
388.20825	1.8
429.21378	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	429.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.7
58.00575	0.6
59.01376	100.0
60.01711	1.2
61.98831	3.0
71.01377	15.2
71.51999	0.5
72.99326	0.9
73.02943	13.6
75.00877	1.2
83.01371	3.6
85.02936	4.3
87.00885	0.8
87.34935	0.5
89.02431	5.4
91.42699	0.5
93.03478	0.6
95.01395	1.6
95.05030	0.4
96.96004	4.2
97.02967	0.5
97.75824	0.5
99.00914	0.8
101.02431	13.6
113.02437	9.5
114.77667	0.5
119.03512	2.7
121.91005	0.5
125.02425	0.6
131.03517	2.2
133.02927	1.0
134.41348	0.5
135.04564	0.8
143.03526	0.9
145.02963	2.4
149.04567	0.9
151.04024	1.1
161.02409	3.8
161.04561	2.6
163.04025	1.4
163.11284	6.5
165.05626	0.7
179.05632	0.6
183.81453	0.4
191.05612	1.0
193.04964	0.7
205.12366	0.9
249.11392	1.6
267.07230	3.7
367.10452	0.6
369.15741	1.2
429.17764	12.9
429.22189	1.4
430.18115	1.4
430.75278	0.6
447.55075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66476	0.4
56.97688	0.4
58.63075	0.4
59.01376	100.0
60.01706	1.2
61.98827	5.9
69.22085	3.5
71.01374	2.4
73.02946	2.0
76.96341	0.4
80.72254	0.4
85.02966	0.7
89.02455	0.7
98.20727	0.7
100.33489	0.3
101.02473	1.5
104.58678	0.4
113.02470	0.8
119.03532	0.4
123.08144	0.6
135.02777	0.7
161.04622	1.2
179.01779	0.7
189.12790	0.9
204.13251	0.6
207.13910	1.2
292.46744	0.4
366.18713	1.6
429.18237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55722	0.2
55.01866	0.3
57.03453	0.3
59.01376	100.0
60.01718	1.0
61.13750	0.2
61.98826	0.5
69.22577	2.2
71.01376	7.4
73.02952	1.0
74.23450	0.2
83.01372	0.4
83.50841	0.2
85.02964	2.0
87.00878	0.5
89.02440	7.9
89.87513	0.2
95.01391	0.5
95.46126	0.2
96.06734	0.3
99.00868	0.4
101.02444	4.3
113.02447	3.7
119.03497	3.1
127.03122	0.2
131.03488	0.3
137.09738	1.1
143.03511	0.8
149.04533	0.3
151.20135	0.3
161.04556	1.9
179.05602	1.6
225.15057	0.4
260.75024	0.2
369.19266	0.8
387.20258	1.2
429.21835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20909	0.4
56.48161	0.5
57.03450	1.1
58.00604	0.8
59.01377	100.0
60.01714	1.2
66.00851	0.5
69.03462	0.6
69.41380	1.0
69.41793	2.9
71.01377	20.2
72.99326	1.5
73.02942	18.6
75.00886	0.6
75.96570	0.5
76.60865	0.5
83.01378	5.4
85.02940	5.4
87.00883	0.7
89.02441	9.8
95.01378	1.9
97.02959	0.8
101.02436	16.2
111.04401	0.5
113.02449	10.1
119.03491	4.4
122.01608	0.5
131.03525	1.7
139.06328	0.5
143.03513	1.5
147.04550	0.6
149.04558	0.9
155.03587	0.8
161.04529	3.2
161.13374	1.9
168.78911	0.7
179.05655	1.4
205.12338	4.4
249.11287	11.9
250.11751	0.6
265.59509	0.6
385.13043	1.3
429.12198	1.0
429.17236	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	429.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
57.03438	1.5
59.01376	100.0
60.01725	0.8
61.98827	3.4
69.03458	0.7
71.01376	15.9
71.53127	0.7
71.53528	0.7
72.99303	0.7
73.02939	9.7
83.01396	2.6
85.02945	9.0
85.03406	0.8
86.10114	0.6
87.00876	1.1
89.02423	3.0
95.01416	1.5
98.03737	0.7
99.00883	1.7
101.02441	10.0
105.92978	0.6
111.00910	0.7
113.02440	8.5
125.02438	0.5
131.03369	0.5
134.03923	0.6
143.03503	1.2
159.02948	0.8
159.11833	1.4
161.04597	3.6
189.12927	1.0
195.13866	1.3
197.15395	0.8
197.64676	0.5
207.13919	5.0
225.14937	10.2
226.15189	0.8
267.12457	1.8
267.16132	0.7
369.19119	23.5
369.23654	1.3
370.19583	2.2
387.20209	18.2
388.20651	1.3
411.20386	2.6
429.21402	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	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42439	1.2
59.01376	100.0
61.98831	2.2
70.13328	1.2
70.41585	2.9
70.41969	2.3
76.16961	1.2
91.03984	1.6
96.00302	1.1
98.69620	1.1
101.40029	1.1
102.07536	1.1
129.01346	1.0
130.96950	1.1
138.64304	1.4
160.97786	1.1
221.08174	1.9
295.22742	7.4
429.26321	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	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38233	0.5
59.01376	100.0
60.01702	1.0
61.98827	1.0
70.86092	0.6
71.52403	0.6
89.02424	0.7
91.04011	2.0
177.19029	0.5
184.72478	0.5
195.14014	0.9
274.96548	0.5
277.21738	1.1
286.73004	0.6
295.22748	14.6
296.23441	0.9
422.77090	0.6
429.30389	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
57.11818	0.4
59.01382	6.4
61.98826	100.0
69.19579	2.3
69.20016	2.0
71.01379	2.7
72.99303	0.7
73.02956	1.1
83.01324	0.6
85.02951	0.9
86.90632	0.5
87.00866	0.7
88.98849	0.9
89.02441	2.1
99.04519	0.8
101.02469	1.5
102.40575	0.5
108.17659	0.5
113.02408	0.9
117.01939	0.5
125.02477	1.4
135.04489	0.6
136.04008	0.7
146.03197	0.8
162.02797	0.7
183.06699	0.5
191.05569	0.7
209.08318	0.7
302.91269	0.5
380.29221	0.5
381.35895	0.5
431.15701	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	5.8
61.98826	100.0
64.83990	1.4
69.31876	3.4
69.32288	9.9
76.81132	1.6
93.60927	1.5
94.80417	1.8
98.20605	2.8
98.92783	1.5
114.50951	1.6
121.07105	1.6
125.86471	1.7
146.31560	1.4
161.44026	1.8
194.80498	1.8
374.59195	2.0
430.30734	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	431.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86314	0.4
59.01378	2.8
60.99304	13.2
61.09661	0.5
65.03954	1.7
68.55819	0.5
69.03447	0.5
70.51060	0.8
70.51368	0.8
70.93182	0.5
71.01403	1.4
73.02941	0.8
79.63317	0.5
79.63773	0.5
87.00873	1.0
88.98801	100.0
89.02452	1.7
89.99147	1.5
96.96042	0.8
99.00849	0.6
101.02459	1.3
113.02481	1.1
117.39746	0.5
121.06585	0.6
133.01433	0.7
134.13701	0.5
137.02448	1.1
139.03995	3.1
165.05525	1.3
183.06570	2.4
191.05618	1.2
193.75513	0.5
247.62766	0.6
259.10315	0.6
387.12863	1.6
431.12064	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01384	2.6
61.98824	0.7
65.03963	1.9
69.03445	0.6
71.01374	1.5
73.02956	0.6
73.11385	0.2
81.03454	0.5
83.01395	0.4
88.98805	0.5
89.02438	1.0
93.03472	0.6
96.58078	0.2
98.19869	0.5
101.02447	1.2
108.02160	0.8
109.02952	0.6
113.02444	0.9
119.03542	0.4
121.06584	0.8
125.02441	0.6
135.04497	0.3
136.01649	2.0
137.02438	100.0
138.02773	3.6
139.04002	2.0
151.03998	0.4
165.05557	1.5
183.06645	1.9
209.04524	0.5
241.84689	0.2
327.10724	0.5
345.11771	0.4
371.09915	0.4
387.12839	0.6
389.10590	0.4
431.11810	20.9
432.12204	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	431.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	77.9
59.01376	22.7
61.98797	1.1
65.03934	2.0
69.03455	3.9
71.01379	11.4
73.02937	3.6
73.27953	0.8
83.01357	2.5
85.02948	4.9
87.00862	0.9
89.02436	6.0
93.03470	0.9
95.01382	1.9
97.02940	15.6
99.00850	0.9
99.04513	49.3
101.01801	1.2
101.02435	17.6
108.02169	1.0
111.00844	2.7
113.02462	4.8
119.03493	1.7
121.06583	1.9
125.02440	100.0
126.02763	4.2
131.03476	0.9
138.01993	4.4
138.05618	6.3
139.04007	5.1
143.03439	2.6
143.33427	0.8
145.02950	3.1
146.03256	2.0
146.08171	1.0
159.02896	1.0
161.04539	7.6
163.04022	1.2
165.05553	3.2
179.03540	1.1
179.05595	1.0
183.06586	5.0
203.05516	2.1
209.08043	1.6
215.09235	1.3
227.09438	0.8
243.08701	2.2
277.12228	1.0
299.11267	1.1
344.46918	1.1
371.09619	1.0
387.12756	1.9
389.10773	1.1
431.10934	1.8
431.15530	2.6
431.24234	1.0
432.15030	1.1
438.63766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00570	3.7
59.01377	100.0
60.63484	2.7
60.99292	6.9
65.03960	77.1
68.33813	2.6
68.99812	5.2
69.03448	28.0
69.22118	11.7
69.22543	11.8
71.01379	49.6
72.99301	5.1
73.02947	36.8
75.00882	4.9
83.01373	9.3
85.02947	13.8
87.00852	8.9
88.98804	67.1
89.02441	37.6
91.05535	3.2
93.03462	16.2
95.01395	3.7
95.05009	10.4
96.95995	4.4
98.20635	4.2
99.00871	18.5
101.02428	38.6
103.05530	4.3
106.04223	7.2
107.05018	6.7
108.02142	3.8
108.70436	2.3
113.02435	18.2
119.03498	3.9
119.05005	13.3
121.02928	3.1
121.06590	55.6
123.04514	8.8
129.01927	4.1
135.04515	3.1
137.02441	63.2
137.06111	2.8
139.04002	97.9
139.07664	3.9
140.04317	4.7
143.03488	3.4
149.04536	3.9
150.03212	9.8
151.04034	24.2
161.04521	6.8
163.07605	3.0
165.05565	73.7
165.31772	2.8
166.05891	2.8
183.06616	85.1
184.06941	3.1
193.05029	4.7
194.05823	4.6
209.04550	22.3
209.08258	5.6
225.07591	3.7
227.05556	4.1
301.12854	4.2
327.10837	14.8
345.11853	23.8
355.10291	8.8
371.09778	8.4
387.12946	49.0
388.13300	4.7
389.10925	9.3
426.88940	2.9
429.77393	2.6
431.11581	70.1
432.11618	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	431.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
57.03431	2.9
59.01375	100.0
61.98823	12.6
65.03959	73.2
66.04272	1.7
68.99822	3.5
69.03454	24.7
70.94855	2.4
71.01379	47.1
72.99302	2.1
73.02941	29.3
75.00831	2.5
75.70263	1.5
83.01377	8.1
84.02142	1.4
84.19040	1.4
85.02940	9.2
87.00868	3.7
89.01933	2.5
89.02443	33.9
91.05469	2.0
93.03447	13.5
95.01360	2.6
95.05019	11.2
97.02938	2.5
99.00877	14.9
101.02444	34.8
103.05529	3.5
106.04218	3.2
107.05003	3.0
113.02448	15.0
119.03477	5.4
119.05019	18.3
121.02937	2.5
121.06589	42.3
123.04506	4.2
125.02401	3.5
131.03444	4.7
137.02385	2.3
137.06062	3.1
139.04002	90.0
139.07594	4.6
140.04329	4.5
143.03499	1.8
149.04564	12.7
150.03217	7.7
151.02876	2.1
151.03996	18.9
161.04503	6.6
163.07637	2.9
165.05557	62.8
166.05814	2.7
173.09775	1.4
175.02477	1.6
181.05005	1.6
183.06604	81.2
184.06937	2.8
191.05586	4.3
207.06657	3.8
209.04536	18.1
218.81535	1.5
219.97960	1.5
227.05510	6.2
299.11237	2.7
301.12979	5.9
327.10910	11.4
345.11859	21.3
355.10199	3.0
371.09674	3.3
387.12915	49.7
388.13123	2.9
389.10818	4.6
431.11560	34.7
431.15753	31.9
432.16040	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	431.1554
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
54.12061	0.8
55.19510	1.0
56.12951	0.8
57.03423	1.0
58.00576	2.1
58.85091	0.9
59.01377	55.2
61.50225	0.8
61.98824	11.8
62.57627	0.8
71.01380	38.2
71.43069	1.1
72.10934	0.8
72.99299	1.7
73.02941	12.7
75.39528	0.9
75.78436	0.8
83.01367	1.0
85.02952	5.8
87.00871	1.2
89.02441	63.6
90.02716	1.0
95.01371	1.9
96.44315	0.9
97.02944	1.5
99.00874	25.1
101.02436	23.8
113.02444	8.8
115.04027	1.3
119.03526	7.8
119.05017	19.8
121.46259	1.0
121.98138	0.9
125.02443	3.5
131.03497	8.9
137.06047	1.1
143.03407	0.9
149.04544	20.8
161.04544	2.1
175.02403	1.4
191.05586	8.2
221.06621	1.2
233.06790	1.4
246.57085	1.0
299.11374	7.4
323.86188	0.9
431.15546	100.0
432.15952	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	431.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	77.8
67.33315	15.3
67.38088	18.3
69.55362	100.0
76.01747	15.8
83.01385	33.4
125.09679	38.1
133.11241	16.0
187.09732	33.5
272.35367	18.2
287.20071	32.5
371.15253	35.0
431.23495	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	431.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
56.09010	0.8
57.03439	0.8
58.00566	1.8
59.01376	93.2
61.98826	5.7
71.01015	1.6
71.01381	27.0
72.99284	1.3
73.02934	1.8
75.27509	0.9
79.95748	0.8
83.01365	2.4
85.02953	5.7
87.00851	1.1
89.02438	26.8
95.01370	1.3
99.04514	18.4
101.02441	14.3
113.02443	10.5
119.03493	8.6
121.06492	1.1
128.97383	1.0
135.04430	1.1
137.08920	0.8
143.03439	2.1
161.02432	1.4
161.04562	2.6
163.14857	1.3
179.03500	2.4
179.05562	4.8
189.12807	3.5
207.12045	1.5
207.13875	19.6
227.06953	1.2
251.12852	100.0
252.13217	7.7
284.03244	1.4
371.20682	3.1
389.21677	1.5
431.19101	30.8
432.14554	6.4
432.19769	3.3
456.89093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	1.1
61.98830	2.2
69.69925	1.3
71.01382	5.9
72.99301	0.6
73.02953	1.3
74.34746	0.2
77.84045	0.3
83.01427	0.4
85.02947	1.4
87.00886	0.6
89.02438	4.4
93.03467	0.3
95.01389	0.4
98.19839	0.3
101.02434	3.6
106.14034	0.3
113.02470	2.0
113.05476	0.3
117.03476	0.8
119.03496	2.0
119.05067	0.3
124.46293	0.3
135.42126	0.3
143.03526	0.7
145.02934	3.2
146.03264	0.3
161.04512	1.8
179.05650	1.2
179.13654	0.3
191.05661	1.1
206.22054	0.2
251.12883	0.3
257.08264	0.6
371.21036	0.4
392.28027	0.3
431.13733	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
56.88923	0.3
57.03440	0.9
57.45306	0.3
59.01376	100.0
60.01712	0.8
60.16948	0.3
61.98823	1.8
69.03446	0.4
71.01378	11.1
71.05009	0.4
71.53053	0.5
72.99310	0.7
73.02940	4.2
75.00858	0.3
80.29442	0.3
82.14172	0.3
83.01395	2.0
83.05048	0.3
85.02936	5.1
87.00876	1.4
89.02445	3.3
95.01404	1.2
97.02900	0.4
99.00896	1.3
101.02438	7.6
102.02796	0.4
106.82390	0.3
107.03465	0.3
109.06609	0.4
113.02441	5.2
119.03512	1.3
122.75312	0.3
125.02476	0.3
137.93318	0.3
139.07681	0.3
143.03529	0.9
147.11839	0.6
159.03008	0.7
161.04535	3.6
166.02718	0.4
177.12849	0.3
179.05573	0.5
191.05571	0.6
202.48172	0.3
209.11708	0.4
227.16476	0.5
371.20709	3.0
389.21799	11.7
390.22430	0.9
431.18665	0.8
431.23260	1.1
432.19391	0.3
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
59.01377	100.0
60.01719	0.8
61.62871	0.4
61.98819	2.5
69.66309	2.7
71.01382	4.6
73.02945	0.8
79.49793	0.4
83.01350	0.4
85.02959	1.2
87.00881	0.4
89.02442	4.8
92.02341	0.4
93.03461	1.0
101.02458	1.8
113.02439	2.3
117.03478	1.0
119.03493	2.3
123.04543	0.6
145.02910	3.6
148.27240	0.5
161.02512	0.6
161.04597	0.6
173.04568	1.3
179.05627	1.1
191.05577	3.3
257.08231	0.8
431.13327	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.89608	0.3
59.01377	100.0
60.01714	1.0
61.07134	0.4
61.98835	1.5
69.03461	0.5
71.01382	8.5
71.53570	0.5
73.02946	2.6
75.00897	0.4
79.78345	0.4
83.01389	1.0
85.02956	3.2
88.98808	0.5
89.02445	2.5
99.00899	0.7
101.02436	5.5
113.02452	3.6
119.03533	1.1
126.78620	0.4
133.02983	0.5
135.04509	0.8
139.11301	0.6
143.03508	0.4
150.03194	0.4
159.03014	0.8
161.02499	0.7
161.04549	7.1
161.05730	0.6
173.93253	0.4
179.03551	0.6
179.05620	1.2
209.15533	1.2
371.20728	9.4
389.21832	1.0
431.22186	0.5
431.27063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37706	0.3
59.01377	100.0
60.01724	0.6
61.98830	0.7
71.01381	4.9
72.99297	0.4
73.02938	1.7
83.01398	0.7
85.02944	1.9
89.02448	5.2
98.20637	0.6
99.00880	0.7
99.04529	0.4
101.02441	4.4
109.39619	0.3
113.02448	3.1
119.03492	3.1
131.03532	0.4
143.03493	0.5
149.04588	0.4
161.04538	2.9
166.70241	0.3
179.05577	2.0
207.13795	0.5
209.11807	0.6
210.67374	0.4
225.69122	0.3
227.03448	2.4
251.12849	0.7
255.02980	2.8
256.03690	0.6
269.14017	1.5
284.03271	2.7
285.04080	0.5
322.37561	0.3
371.20740	4.4
389.21820	0.7
431.09647	3.6
432.09827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69041	0.2
57.03450	0.3
59.01376	11.7
60.01711	0.9
61.98827	100.0
69.17218	1.6
69.17644	0.9
71.01382	7.9
72.01726	0.8
72.99316	0.8
73.02940	1.3
77.86384	0.2
78.14821	0.3
83.01398	0.5
85.02955	1.5
86.03299	0.3
87.00877	2.0
88.98817	0.4
89.02447	6.8
90.02782	1.0
95.01395	0.4
99.00864	0.5
101.02445	3.7
101.15762	0.2
102.02796	0.4
104.09044	0.2
113.02454	2.4
114.02793	0.6
115.00351	2.4
118.98056	0.5
119.03484	1.8
119.05016	1.8
120.05367	0.6
125.02438	0.4
126.02793	0.3
131.03471	1.3
134.01831	0.2
134.72887	0.2
135.04538	0.3
143.03467	0.4
149.04567	2.0
150.04878	0.6
160.17120	0.3
161.04555	0.5
175.02461	9.8
176.02924	0.3
178.12680	0.2
179.03493	0.4
179.05641	0.4
180.03841	0.5
191.05521	0.5
191.12657	0.3
193.05104	0.3
194.05797	0.3
195.06235	0.3
200.29918	0.2
209.08107	0.6
210.08536	1.1
253.08760	0.3
299.11307	1.3
300.11533	1.6
431.15512	1.0
432.15933	8.5
433.16257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.7
60.01706	0.4
61.98827	100.0
63.35377	0.3
69.72771	1.1
69.73164	0.5
71.01385	2.4
73.02946	0.7
77.28664	0.3
85.02950	0.9
87.00887	1.2
89.02448	0.7
95.94781	0.4
101.02453	1.4
113.02465	0.7
113.44656	0.3
115.00375	2.2
159.72807	0.4
161.04530	0.6
175.02472	10.2
175.04010	0.6
176.02763	0.5
179.03528	0.5
194.05827	0.5
209.08214	0.8
210.08588	0.6
229.96448	0.4
269.10434	0.6
382.12891	0.3
432.07318	0.4
432.16290	0.5
457.81747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	41.1
60.01716	1.3
60.47619	0.4
60.75303	0.4
61.98827	100.0
69.60135	2.5
71.01385	1.7
73.02954	0.8
75.30963	0.4
83.01379	0.5
85.02972	0.5
89.02462	1.2
101.02463	1.4
113.02453	0.6
161.04562	0.5
198.18684	0.4
279.32599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46038	1.0
59.01365	4.2
61.98826	100.0
71.34580	1.7
71.86452	1.0
83.40137	0.9
131.16089	1.1
271.94147	1.0
338.22086	2.3
433.32889	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	433.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
57.03436	1.3
59.01377	24.7
61.98824	2.2
65.19835	1.5
69.73696	1.2
71.01382	14.7
71.05041	1.8
71.51454	1.6
72.99269	2.8
73.02938	68.5
74.99085	18.1
75.00857	3.0
76.57301	1.2
85.02969	1.9
87.00857	4.2
89.02445	18.9
96.27647	1.3
99.00861	8.7
101.02427	10.6
108.02155	8.5
111.00872	1.6
113.02425	7.4
116.92873	9.4
117.01934	100.0
117.05569	11.0
118.02301	1.9
118.05087	5.3
118.98051	2.0
119.03499	7.8
122.03736	1.4
123.04541	2.7
125.06046	2.9
129.01880	1.7
135.04501	10.8
137.06055	5.0
147.04535	2.8
151.55502	1.4
153.05542	2.5
155.07152	1.7
165.05545	5.2
169.03221	2.4
181.03227	4.2
181.04871	1.5
181.58542	1.3
194.25435	1.3
199.04253	2.6
200.69069	1.3
201.05963	1.7
229.05374	6.3
270.87396	1.3
273.04349	35.3
274.04584	2.5
315.11243	1.6
340.18408	1.4
376.60034	1.4
433.08054	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.82833	0.5
60.01712	1.2
61.98825	2.5
68.87743	0.5
71.01394	5.3
73.02943	3.1
76.51968	0.5
76.92085	0.5
81.98109	0.6
83.01375	1.0
84.83519	0.5
85.02955	1.4
85.97873	0.5
86.37809	0.5
87.04537	0.6
89.02443	4.1
90.17811	0.5
92.03094	0.5
101.02438	2.8
104.84444	0.5
113.02417	2.7
119.03460	1.3
132.31456	0.6
151.00415	0.7
161.04576	2.0
179.05664	0.9
185.11812	41.0
186.12222	2.5
199.13417	1.1
271.06125	2.2
373.22375	3.4
433.20468	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	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01725	1.5
61.98806	0.5
65.99920	0.5
67.05060	0.4
69.36038	3.8
71.01378	1.9
73.02956	0.7
89.02462	1.2
101.02441	1.5
113.02445	0.7
119.03514	0.6
135.94582	0.5
141.07654	0.5
161.04561	0.6
162.61221	0.5
198.28810	0.4
201.48505	0.4
206.98145	0.4
260.27884	0.4
331.17822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08435	0.5
59.01374	100.0
60.01721	1.2
61.98824	17.5
64.97433	0.5
66.22255	0.5
69.48353	3.1
71.01376	6.2
73.02937	2.5
83.01400	1.1
85.02940	2.3
89.02438	3.6
95.40193	0.5
101.02441	4.3
113.02473	2.2
117.11633	0.4
119.03508	1.4
133.02933	2.4
135.04544	4.0
136.04776	0.6
143.03523	0.8
153.74680	0.5
161.02428	5.2
161.04472	2.6
162.02779	1.6
179.03464	4.5
180.03865	1.3
187.03938	0.7
202.06325	1.2
203.05685	1.4
252.13287	0.7
271.18967	0.6
373.18243	0.6
389.18225	0.8
395.07202	0.5
418.13544	1.6
432.59512	0.8
432.65427	15.1
433.15646	4.4
433.24356	2.5
433.66122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01376	100.0
60.01709	1.5
61.98832	1.8
64.94847	0.3
65.00320	0.5
71.01377	4.0
71.52284	0.3
71.52678	0.4
73.02957	1.2
75.15456	0.4
83.01400	1.0
85.02972	0.6
89.02455	1.3
91.01639	0.3
99.00917	0.5
101.02451	1.8
101.26858	0.3
107.01385	0.7
113.02467	1.0
119.03512	0.9
119.05016	1.8
122.83326	0.3
133.02969	0.9
135.04488	0.8
136.04836	0.5
139.11252	0.4
145.03117	0.4
151.00377	3.2
161.02567	0.7
161.04570	1.8
169.12386	1.2
179.03600	0.6
180.03827	0.5
203.05629	1.4
232.10564	0.4
261.01843	0.4
271.06094	5.3
373.18130	0.6
373.22223	3.2
432.65442	3.6
433.10809	0.6
433.15750	0.9
433.20743	0.5
433.28140	0.5
433.65836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01704	1.1
69.82942	1.7
71.01389	2.2
73.02953	0.6
77.11741	0.3
82.51681	0.4
85.02949	0.8
86.46539	0.3
87.63292	0.3
89.02425	2.7
94.70688	0.3
101.02451	1.7
110.73136	0.3
113.02455	1.0
119.03524	1.0
129.15413	0.3
136.63205	0.3
161.04573	0.7
179.05736	0.4
356.27014	0.4
357.75372	0.4
373.22482	1.3
453.03268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01709	1.5
61.98830	8.9
63.02349	0.5
64.21497	0.4
69.66885	1.6
69.67297	1.4
71.01382	4.0
73.02957	2.2
74.18723	0.4
83.01385	0.8
85.02974	1.5
89.02450	2.1
98.19981	0.6
101.02428	2.8
113.02475	1.6
119.03513	1.5
119.05036	1.0
133.02977	0.6
137.02368	0.4
151.00385	1.4
160.04282	0.4
161.04555	2.1
185.11807	18.4
186.12111	0.6
271.06107	3.0
273.32599	0.5
300.18771	0.5
373.22278	3.9
428.92917	0.5
433.11310	0.9
433.24866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01722	1.4
61.98831	10.7
71.01382	3.3
71.53249	0.5
73.02938	1.2
83.01408	0.6
84.32913	0.5
85.02961	1.4
89.02430	2.8
101.02432	3.1
106.97894	0.4
113.02477	1.7
119.03532	1.2
119.05031	0.7
137.02470	1.7
148.45082	0.5
151.00340	1.0
161.04610	1.6
185.11845	8.0
191.05679	0.5
198.08235	0.5
271.06143	2.2
373.22375	3.2
458.14938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77422	0.2
57.03427	0.3
59.01376	9.0
61.98825	100.0
62.68209	0.3
62.98534	0.3
71.01381	0.8
71.52137	0.4
73.02956	0.4
83.01379	0.3
85.02991	0.4
89.02422	0.3
91.21506	0.3
101.02448	0.9
113.02448	0.6
117.03466	1.0
119.05016	0.3
123.00913	0.3
124.01647	0.3
133.02979	0.4
135.04536	0.5
145.02939	3.7
150.09361	0.3
161.02464	1.1
161.04520	0.4
163.03963	0.3
173.02225	0.3
175.03976	0.4
179.03600	0.4
205.05042	0.5
302.17859	0.3
346.20313	1.4
347.20627	0.3
356.09137	0.3
371.11258	2.2
390.19238	0.8
416.15958	1.1
416.65903	0.3
435.10135	0.3
435.16577	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	6.1
61.98826	100.0
62.77797	3.1
71.52747	4.1
79.42393	2.5
126.19799	2.6
157.49660	2.5
160.76329	2.3
285.85526	2.7
293.53659	2.5
442.10797	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64442	0.5
54.82043	0.6
59.01376	23.8
60.01707	1.9
61.98827	100.0
69.55746	3.7
71.01384	2.5
85.02962	1.1
89.02448	2.1
101.02455	1.0
111.40536	0.6
113.02486	1.1
119.41402	0.5
154.34514	0.5
192.16025	0.6
245.08630	0.6
267.06769	0.8
272.02869	0.9
297.11508	1.0
301.03381	2.3
302.03787	0.8
327.12387	3.3
345.13330	0.6
434.07681	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28591	0.5
59.01376	100.0
60.01710	2.3
61.98826	99.9
62.16621	0.5
62.30836	0.5
69.44306	2.8
71.01384	3.1
73.02935	1.0
85.02934	0.7
87.04506	1.3
89.02442	0.9
98.16447	0.5
98.19875	0.5
101.02409	2.0
107.04981	2.0
113.02390	0.8
114.13863	0.5
115.00287	0.5
121.02881	1.8
122.03709	1.1
125.02448	0.7
127.88631	0.6
133.01378	0.6
161.02301	0.7
161.04491	0.6
229.08652	3.2
234.55159	0.5
249.26515	0.4
249.58937	0.5
255.78780	0.5
273.07370	1.4
333.18744	1.1
374.18082	0.6
375.19485	1.6
434.20206	0.6
435.07239	0.8
435.12064	4.0
451.12738	0.5
457.69409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
58.00582	2.3
59.01376	60.5
61.37037	1.0
66.16783	0.9
69.03437	1.3
69.99808	3.5
71.01376	33.3
72.99276	1.9
73.02911	1.7
73.76659	0.8
74.99090	32.4
75.65641	0.9
78.91296	0.8
79.85709	0.9
80.12988	0.8
81.03445	1.1
83.01393	1.1
85.02969	6.1
87.00864	1.7
89.02438	36.6
89.31100	1.0
95.01392	3.7
101.02437	18.6
107.05016	2.0
108.02161	3.9
113.02446	11.4
118.98058	8.7
119.03500	16.1
119.05003	4.0
120.01238	1.4
121.02994	1.1
123.04543	1.4
131.03461	1.2
133.06575	7.9
134.03722	1.5
135.04529	7.8
137.06125	1.3
143.03482	3.1
147.04506	6.8
149.06059	3.6
151.02312	1.1
151.07593	1.3
159.04503	0.9
161.04535	2.3
165.03694	1.2
165.05460	1.2
177.05513	7.3
179.05605	7.1
181.03239	2.8
191.05612	2.3
193.03261	8.8
201.05902	1.0
211.04367	7.8
212.04712	1.1
216.05496	0.9
315.10767	5.9
354.07892	0.9
363.11276	1.0
391.10712	6.9
407.92307	1.0
417.08508	2.5
435.09595	100.0
436.10150	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	435.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	3.0
59.01377	67.3
59.54749	1.5
68.74043	1.1
68.99553	2.8
69.80639	5.3
69.81021	2.9
71.01381	30.7
72.99255	1.5
74.20474	1.2
74.98687	2.1
74.99093	32.5
83.01405	1.6
85.02950	5.2
86.99041	1.5
87.00862	1.6
89.02445	40.2
90.98589	1.2
95.01348	3.0
98.20621	1.7
101.00661	1.7
101.01801	2.4
101.02434	35.2
107.05052	2.5
108.02171	5.3
108.81173	1.3
112.98586	5.1
113.02453	13.7
118.98050	5.7
119.03510	20.7
119.04987	4.1
120.01211	7.0
122.03763	1.4
123.99869	1.6
131.03444	1.6
133.06584	8.8
134.41577	1.3
135.04503	8.3
143.03542	2.6
147.04474	6.5
149.04553	1.6
149.06047	4.2
150.03203	3.3
153.05612	2.2
159.04451	1.5
161.04527	1.6
165.05560	9.4
177.05583	8.2
179.05583	9.6
181.03181	2.2
191.05571	4.8
193.03288	9.4
211.04283	7.2
285.83899	1.5
315.10956	7.9
357.11676	1.5
391.10660	5.5
410.53241	1.3
435.09604	100.0
436.09674	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	435.1293
Annotation	Monnieraside III
Peak:m/z	Relative Intensity
56.22896	1.0
59.01112	1.4
59.01374	16.8
61.98822	1.3
71.01377	8.0
80.21092	1.5
83.01359	1.2
85.02934	2.5
89.02422	4.3
93.03455	32.5
95.01359	2.5
96.96011	2.3
101.02418	4.0
107.05037	2.0
108.02168	100.0
109.02431	2.3
113.02414	3.4
113.25179	1.3
119.03459	1.5
123.00893	1.2
123.04494	1.6
134.03740	2.6
135.04524	12.5
136.01634	13.2
137.02431	83.5
147.04529	1.5
149.02374	2.0
149.06030	1.4
151.03938	5.2
179.03481	49.2
191.05582	3.1
209.04552	13.4
220.39320	1.3
239.05569	39.6
240.06030	2.1
281.06552	1.4
297.11243	1.5
299.07544	2.5
327.12305	2.3
381.05847	1.6
403.86633	1.5
435.13162	35.8
435.18582	1.4
436.07037	2.6
436.13239	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19527	3.6
59.01376	100.0
71.01382	57.0
71.51067	5.7
71.51431	3.7
72.99291	5.6
73.02926	5.3
74.99088	21.3
75.00901	3.8
78.77291	4.0
85.02947	11.7
87.00885	13.5
89.02440	85.7
94.04679	3.5
95.01368	4.9
96.96957	5.4
101.02438	36.6
113.02438	25.9
115.03976	24.8
117.03391	4.1
118.98077	76.4
119.03490	32.5
121.03003	5.5
132.65115	4.2
133.06523	4.4
135.04482	4.8
135.99350	3.6
143.03545	7.8
145.02960	23.7
146.03741	8.9
147.04485	8.3
149.02435	10.4
150.03162	18.1
159.04506	6.8
161.02440	21.2
161.04553	13.5
162.03270	25.0
164.04779	4.8
165.05545	38.3
177.05536	19.7
179.05635	29.0
180.04204	8.0
193.03185	8.4
195.06606	21.6
211.04305	6.0
240.13353	3.7
243.69524	4.1
247.56021	4.0
301.85379	3.6
327.10919	7.4
357.11819	26.1
375.12866	5.6
417.08707	9.3
435.09610	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07897	1.0
58.00594	2.4
58.41999	1.0
59.01376	7.8
69.89223	5.0
71.01385	6.6
74.99094	2.0
79.10210	0.9
85.02952	2.2
87.00884	3.8
89.02440	2.7
101.02431	2.8
107.02374	1.0
108.02299	0.9
113.02463	1.5
118.98080	5.1
119.03494	1.4
120.99664	2.9
121.02922	1.8
122.03709	1.4
124.20500	1.2
135.04512	1.7
142.84456	1.0
145.02933	1.6
149.02440	27.3
150.03226	41.7
151.03522	1.3
161.02443	3.0
161.04543	4.1
162.03210	3.9
163.04033	1.3
164.04787	16.3
165.05560	100.0
166.05936	4.3
174.84445	1.2
177.05602	1.6
180.04280	3.5
195.06610	27.9
195.08359	1.9
196.06992	2.5
327.10822	28.7
328.11127	1.9
357.12021	2.0
435.09695	7.0
436.64038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
62.30264	1.9
70.67611	5.7
71.01372	28.4
71.54003	2.2
73.02940	35.5
83.01382	9.3
85.02949	3.8
89.02438	9.8
101.01790	3.4
101.02427	32.9
113.02448	21.0
119.03468	4.4
131.03543	3.6
149.04529	2.3
161.04538	9.7
246.65100	2.4
391.19635	3.1
435.09314	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	435.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01375	87.5
60.01727	0.9
61.98824	21.5
70.61940	1.6
71.01367	3.8
73.02949	1.3
74.65853	0.5
75.00900	0.8
75.48615	0.5
79.11542	0.5
79.43671	0.5
80.12865	0.5
85.02950	2.0
87.00801	0.5
87.04506	28.3
89.02429	1.8
98.20021	0.6
101.02418	3.0
103.03997	6.3
109.19597	0.6
113.02414	3.1
119.03483	1.6
138.49780	0.6
161.04543	1.2
183.13844	7.4
184.14134	0.6
187.71799	0.5
195.13878	7.5
201.14876	0.6
213.14931	100.0
214.15268	5.7
227.16455	0.9
231.13499	0.6
237.14731	0.7
255.16006	1.5
375.19681	0.6
393.25171	0.7
435.09427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03666	0.4
59.01374	100.0
60.01706	1.3
61.98824	1.4
65.80558	0.4
71.01397	0.8
83.73177	0.4
85.79075	0.4
89.02443	1.3
98.19768	0.5
101.02475	0.9
113.02483	0.5
113.24659	0.4
164.55153	0.4
176.41716	0.4
200.08986	0.4
222.35960	0.4
229.08748	0.4
261.76315	0.5
333.18994	0.5
375.20224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01706	1.1
61.98840	0.6
70.27978	1.0
71.01398	0.4
85.02940	0.5
101.02470	0.6
113.53173	0.3
305.27570	0.3
315.18069	0.6
333.19360	1.0
344.64560	0.4
375.20389	1.0
381.80289	0.3
424.11786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01720	0.9
60.36258	0.5
61.98828	19.9
68.27811	0.5
68.75262	0.6
69.24870	3.2
69.25288	2.1
71.01388	1.8
73.02958	1.1
83.24791	0.6
85.02952	1.0
89.02467	1.0
101.02453	1.2
124.01688	0.8
125.02439	1.8
142.60591	0.9
149.99600	1.3
153.19376	0.6
168.00648	1.0
176.77980	0.6
187.13365	3.2
229.08736	0.7
331.17752	1.7
333.19257	1.1
349.18634	5.0
375.20239	1.8
391.19730	7.4
420.91644	0.7
435.09665	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	435.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01710	0.9
61.98825	0.7
69.65634	0.6
69.66042	0.6
71.01379	1.1
73.02945	0.5
83.01399	0.2
84.24572	0.2
85.02962	0.6
88.28722	0.2
98.20621	0.4
99.86606	0.2
101.02460	0.9
103.24498	0.2
113.02449	0.6
151.47476	0.2
161.04559	0.6
239.01283	0.2
315.18210	0.4
333.19208	1.8
375.20068	2.5
376.20599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01375	87.5
60.01727	0.9
61.98824	21.5
70.61940	1.6
71.01367	3.8
73.02949	1.3
74.65853	0.5
75.00900	0.8
75.48615	0.5
79.11542	0.5
79.43671	0.5
80.12865	0.5
85.02950	2.0
87.00801	0.5
87.04506	28.3
89.02429	1.8
98.20021	0.6
101.02418	3.0
103.03997	6.3
109.19597	0.6
113.02414	3.1
119.03483	1.6
138.49780	0.6
161.04543	1.2
183.13844	7.4
184.14134	0.6
187.71799	0.5
195.13878	7.5
201.14876	0.6
213.14931	100.0
214.15268	5.7
227.16455	0.9
231.13499	0.6
237.14731	0.7
255.16006	1.5
375.19681	0.6
393.25171	0.7
435.09427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
59.01376	88.0
60.01706	0.5
61.98827	20.9
63.13152	0.4
68.39890	0.5
71.01378	3.8
73.02940	1.7
75.00851	0.7
75.04419	0.4
82.77563	0.5
83.01385	0.9
84.03535	0.4
85.02934	1.3
86.59354	0.4
87.04509	25.5
88.98815	0.4
89.02446	2.0
90.02893	0.4
99.00875	0.8
100.53061	0.5
101.02453	3.2
103.04004	4.8
112.27391	0.5
113.02453	4.6
119.03517	1.0
161.04539	1.5
183.13898	7.4
195.13895	7.8
196.14160	0.7
213.14951	100.0
214.15273	6.5
219.09366	0.5
227.16487	0.9
249.14861	0.7
255.15968	1.2
265.55859	0.4
267.15875	0.7
301.81793	0.5
363.58566	0.5
435.09778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01714	1.1
61.98827	6.9
65.17030	0.4
69.54876	2.8
71.01393	2.0
72.67521	0.4
73.02948	0.5
75.27610	0.5
83.01394	0.6
85.02958	1.3
85.89114	0.4
87.00898	0.5
89.02448	1.5
93.03417	1.1
101.02444	1.8
113.02479	0.6
119.03487	1.1
128.27316	0.5
135.04578	0.7
145.45978	0.5
149.02489	0.5
161.04559	0.5
163.94116	0.4
173.04675	0.5
185.11856	0.5
191.05696	0.4
236.14035	0.5
240.11215	0.5
284.84805	0.4
315.18005	0.4
318.63293	0.5
331.12073	0.7
333.19174	1.0
354.10233	2.2
354.60580	1.0
366.84116	0.5
368.53168	0.5
375.20248	1.1
394.67340	0.5
422.27188	0.4
435.09830	1.4
435.22324	1.4
435.29764	4.1
436.29858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.0704
Annotation	Cladoniamide A
Peak:m/z	Relative Intensity
59.01381	7.7
61.98819	1.3
71.01384	2.0
71.51927	0.9
72.00902	2.7
79.95734	15.9
80.70389	0.6
80.96514	4.3
89.02445	1.2
93.03441	0.8
99.21314	0.7
100.00398	7.4
101.02429	1.3
107.05001	2.3
113.02460	1.1
119.03607	0.8
119.05020	20.6
120.05400	0.6
132.02191	1.3
133.05341	1.2
134.03735	28.4
134.06096	8.7
135.04561	3.8
143.03531	0.9
147.04550	0.7
148.05298	9.4
149.06068	19.9
160.01645	14.0
161.02370	2.3
161.04620	1.1
162.03233	0.7
163.03998	15.1
163.06154	1.0
164.04329	0.7
173.04852	0.7
175.03990	22.4
176.03444	0.7
177.05551	1.0
178.05109	5.6
179.05504	1.4
179.07101	0.7
180.06653	5.4
190.05075	2.6
199.00618	0.8
206.04581	15.5
206.08336	0.8
214.01778	7.7
250.07210	0.7
250.37323	0.6
267.22879	0.6
271.55060	0.6
297.09979	4.3
312.12387	10.9
313.12772	1.2
356.11371	4.3
392.08023	8.2
436.07040	100.0
437.07339	10.3
437.23819	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	436.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61620	0.3
59.01376	9.6
60.01714	0.8
61.98828	100.0
69.35110	1.3
69.35528	1.0
71.01385	0.8
73.02933	0.5
85.02969	0.3
87.00871	0.4
87.63161	0.3
89.02458	0.5
93.63727	0.3
98.19903	0.6
100.13592	0.3
101.02463	0.8
125.64163	0.3
145.02995	0.4
145.66147	0.3
161.78072	0.3
186.12033	0.4
187.07713	0.5
187.13402	0.9
191.05699	0.3
201.15007	1.0
213.83900	0.4
226.47906	0.3
258.80063	0.4
435.29745	1.1
436.22748	0.5
436.30124	0.7
437.14984	0.4
437.20502	1.0
443.84085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43297	0.5
59.01375	59.1
60.01719	3.5
61.98824	100.0
63.99233	0.6
71.01373	1.4
72.58613	0.5
72.62694	0.5
73.02933	0.6
74.14075	0.5
84.84362	0.5
88.04052	0.9
98.20638	1.5
100.23974	0.5
101.02454	0.8
145.02922	0.7
156.08940	0.4
167.03476	0.6
174.55623	0.4
187.13377	6.7
188.13680	4.2
216.46062	0.5
274.07980	0.7
334.19437	0.7
376.20764	0.7
376.65417	0.5
436.21280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	25.2
60.01708	1.2
60.53727	0.3
61.29266	0.3
61.98826	100.0
71.01381	3.7
73.02940	4.8
83.01388	1.5
85.02980	0.6
87.04501	2.1
88.04826	0.4
89.02475	0.8
98.19765	0.8
101.02432	5.5
113.02466	1.9
119.03526	0.6
125.02480	0.5
131.03502	0.6
149.04552	0.6
161.04460	1.6
229.78883	0.3
235.30673	0.4
372.23209	0.4
417.80927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39174	0.4
57.03448	0.4
59.01375	16.6
60.01730	0.5
61.98827	100.0
63.66326	0.4
71.01379	3.9
71.52397	0.5
71.94569	0.4
73.02947	5.7
83.01395	1.6
85.02914	0.5
85.92222	0.4
89.02460	1.6
93.97140	0.4
101.02438	6.1
103.03999	2.8
104.04321	0.6
113.02454	1.7
119.03487	0.5
125.21529	0.4
131.03458	0.6
149.04541	0.7
161.04591	1.1
192.78554	0.4
237.17213	0.4
261.77820	0.4
370.47528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97889	0.4
59.01375	11.5
60.01712	1.1
61.01812	0.9
61.98827	100.0
69.25897	1.7
69.26332	1.7
71.01378	0.5
87.00898	0.5
89.02484	0.5
178.30083	0.4
187.13499	0.7
312.13007	0.5
345.79163	0.4
346.20261	0.5
436.19202	1.8
437.14850	1.2
437.20068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19050	7.3
57.18467	8.1
58.19328	7.1
59.01375	73.7
59.33744	7.9
61.98812	25.6
69.54880	29.3
69.55289	20.7
71.01379	32.4
73.02952	12.1
85.02943	20.2
87.53051	7.0
89.02454	22.1
93.03436	16.8
100.40340	7.4
101.02444	28.3
108.02175	14.1
113.02437	14.7
121.86558	7.5
137.02405	27.0
149.15298	9.0
161.04524	13.6
181.09132	7.7
191.05556	19.2
217.03870	8.1
269.10318	10.0
273.23566	7.3
280.16989	7.2
393.18472	8.9
401.14590	99.6
437.11896	100.0
437.20187	7.8
438.13242	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	437.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01710	1.0
61.98835	2.2
69.33678	1.7
71.01390	0.3
73.20158	0.2
85.03001	0.3
98.19810	0.3
101.02445	0.6
101.55717	0.2
113.02454	0.3
117.51151	0.2
151.04105	0.3
161.04630	0.3
205.48537	0.3
218.52385	0.2
222.25650	0.3
317.19760	0.6
335.20633	1.3
377.21817	1.5
437.09396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03461	0.6
58.00597	0.4
59.01377	64.6
60.01718	0.7
61.98825	6.7
69.32781	2.2
69.33185	1.0
71.01379	11.6
71.86407	0.5
72.99312	0.4
73.02940	5.6
73.72428	0.5
75.41555	0.4
82.16071	0.4
83.01384	3.0
85.02945	9.0
85.03405	0.7
86.00080	0.5
87.00891	1.1
89.02454	1.4
91.98021	0.6
95.01402	0.6
97.02946	0.5
98.19937	0.8
99.00880	2.7
101.02435	13.7
111.00848	2.1
113.02438	4.1
125.02493	0.5
129.02014	0.8
136.69221	0.5
142.74217	0.5
143.03548	0.4
159.02998	1.3
161.04535	1.2
193.53482	0.5
215.16521	2.0
321.06674	0.5
357.92413	0.5
377.21802	7.1
419.22916	3.7
437.23874	100.0
438.24207	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	438.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08888	0.3
51.30822	0.3
61.98825	100.0
68.23100	0.3
69.34652	1.2
69.35090	1.3
80.92820	0.3
96.68980	0.3
108.65155	0.3
109.37838	0.3
125.06077	0.4
131.38104	0.3
147.41821	0.3
153.71336	0.3
169.05040	0.7
197.79594	0.3
214.25365	0.4
398.45950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
59.01078	0.7
59.01378	16.4
61.98825	100.0
69.55036	3.9
71.01379	9.6
71.83322	0.6
72.99300	0.6
73.02946	2.1
73.83820	0.6
83.01388	1.1
85.02952	5.6
87.00863	1.2
89.02427	4.7
90.02773	0.8
93.03452	30.2
94.03791	3.7
95.01405	1.8
96.99303	1.0
99.00901	1.1
99.79877	0.6
101.02428	8.0
108.02183	2.6
109.02415	0.9
109.06564	0.9
111.04530	1.2
113.02444	5.4
114.85529	0.6
116.63857	0.6
117.03461	1.1
119.03533	1.6
119.05014	3.5
121.02960	1.1
125.06092	0.9
136.01657	2.9
137.02437	78.0
138.02769	11.1
145.02924	4.3
151.03947	0.7
157.08675	2.1
161.04643	0.7
161.06058	0.7
163.03992	2.3
179.03474	6.4
180.03831	3.6
181.82861	0.6
191.05588	3.6
205.05064	1.0
209.04512	0.7
210.86409	0.5
221.04585	0.6
239.05615	2.8
240.05891	1.3
241.06104	0.6
279.28665	0.7
281.06802	0.9
293.08771	11.9
437.62784	1.5
438.14740	33.8
438.63370	1.0
439.16153	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	438.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28140	0.3
53.67113	0.3
59.01365	1.1
60.90974	0.3
61.98827	100.0
62.98531	0.3
79.96144	0.4
162.45615	0.3
324.14905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.7
61.98826	100.0
63.83231	0.6
69.82981	2.7
71.01385	1.8
79.39230	0.6
101.02435	1.0
105.24595	0.7
110.80748	0.6
113.02432	0.7
134.94728	0.7
198.87439	0.6
252.10555	0.7
260.13293	0.7
289.16641	2.0
382.82431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00845	0.2
59.01378	6.8
61.64931	0.2
61.98827	100.0
62.98548	0.3
71.01387	1.0
75.03062	0.2
83.47861	0.2
89.02453	0.5
98.20670	0.3
99.01003	0.2
101.02442	0.6
101.08213	0.2
107.37453	0.2
112.29470	0.2
113.02499	0.5
148.36618	0.2
195.13919	0.3
201.99420	0.2
375.20181	5.0
376.20642	0.5
378.19077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
71.12708	3.0
81.70654	3.1
88.28075	2.8
113.84197	3.1
121.54338	3.2
144.27751	3.2
336.21585	3.5
438.14899	3.1
449.66003	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	438.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28846	0.5
54.25521	0.5
55.74037	0.6
59.01376	2.1
60.16392	0.6
61.98827	100.0
71.00214	0.7
71.00541	0.8
71.01363	1.0
80.16682	0.5
89.02504	0.6
97.41959	0.6
110.15802	0.6
130.72241	0.6
146.56885	0.6
154.35277	0.6
228.45351	0.5
375.20218	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	439.1605
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
52.14647	0.5
53.24932	0.5
55.56211	0.5
59.01377	10.1
60.77958	0.7
61.98824	1.1
68.99843	0.5
69.68534	1.9
71.01373	11.0
73.02934	2.8
83.01375	1.6
84.99902	0.5
85.02946	4.7
87.00878	0.9
88.39597	0.6
89.02444	2.9
93.03451	33.1
94.03800	0.9
95.01380	1.3
96.99314	0.6
99.00873	1.2
100.35279	0.6
101.02435	7.2
107.05039	0.6
109.06683	0.7
111.04528	1.5
113.02449	4.7
115.83721	0.5
119.03468	1.1
121.02930	0.7
125.02429	0.9
136.01669	2.4
137.02443	96.7
138.02747	3.6
145.98726	0.5
157.08694	3.8
161.04518	1.4
163.03964	0.7
179.03442	3.5
209.11597	0.5
221.04559	1.3
239.05547	1.4
281.06595	2.4
428.93698	0.7
438.63733	0.9
439.16049	100.0
440.16464	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	439.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.7
61.98828	4.7
71.01382	3.6
71.51481	0.6
72.99318	1.0
73.02929	0.9
73.04625	0.6
75.00857	1.4
85.02952	1.3
87.00880	1.5
88.98806	3.4
89.02453	2.2
91.19038	0.6
93.03471	3.9
96.95991	3.9
101.02434	1.5
105.03422	0.7
109.02950	2.0
110.29189	0.6
113.02449	1.2
121.02908	3.1
122.02480	6.4
122.03742	6.0
123.04465	1.1
135.04507	3.5
136.04044	2.1
137.02426	4.5
146.10597	0.6
149.02428	19.1
150.03215	49.1
151.03749	2.0
153.05489	0.8
155.07043	0.8
162.72916	0.7
164.03572	1.2
164.04744	4.5
165.01915	27.3
165.05554	58.7
166.02211	1.4
166.05876	2.6
179.03545	0.9
180.04256	24.9
181.04839	1.5
191.05560	3.2
193.04604	0.7
195.06604	100.0
196.06953	4.7
210.11659	0.7
211.47046	0.7
233.06607	1.2
240.80568	0.6
243.08690	8.0
267.91678	0.7
283.04883	1.8
301.07172	1.9
316.09531	2.0
331.11850	8.8
332.12146	1.1
341.08862	1.1
391.13959	14.1
392.14490	2.0
438.63431	4.6
439.16812	6.1
440.16135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.5
61.98838	2.6
69.47860	2.8
71.01368	1.6
80.78007	0.5
85.02976	0.6
89.02422	0.7
93.03426	2.7
93.64243	0.5
96.22970	0.5
96.96017	0.9
97.02960	0.5
98.19913	1.1
101.02406	0.9
104.19579	0.5
109.02950	1.8
113.02409	0.6
118.98035	0.8
121.02940	2.1
122.03724	6.3
133.02914	0.8
135.04533	0.7
136.01627	1.1
137.02457	6.1
137.06026	1.3
144.41934	0.5
149.02431	18.5
150.03220	49.0
151.03555	2.6
161.02341	0.8
164.04774	5.7
165.01913	24.9
165.05556	54.6
166.02299	0.9
166.05859	2.2
171.51755	0.5
179.03453	0.5
179.05606	0.6
180.04259	23.0
181.04814	1.5
191.05594	1.4
193.18922	0.5
193.96207	0.5
195.06602	100.0
196.06972	4.6
229.01373	0.5
233.06699	1.6
243.08633	4.1
269.61728	0.5
301.07245	2.7
301.10303	0.6
316.09573	1.4
331.11871	7.5
391.13928	16.0
392.14294	1.5
403.11993	0.7
438.63245	1.0
439.16217	6.8
440.16898	0.6
444.89304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03399	0.7
58.00605	0.9
59.01379	27.7
61.98837	4.8
68.76935	0.8
71.01378	17.8
71.52034	1.0
72.99309	0.9
73.02969	4.1
83.01388	1.8
85.02943	6.7
87.00885	1.8
89.02444	14.9
93.03464	2.6
95.01369	1.2
99.00892	1.4
101.02433	14.5
113.02442	8.4
119.03474	4.8
121.02939	2.1
122.03730	7.0
131.03502	2.6
133.02933	1.7
137.02455	2.9
143.03458	1.2
149.02451	9.1
149.04494	3.7
150.03218	56.6
151.03601	2.0
159.02898	0.9
161.04527	4.0
164.04738	2.6
165.01913	22.1
165.05554	69.9
166.05890	3.8
179.03456	0.8
179.05560	3.8
180.04269	21.1
181.04559	0.7
191.05602	6.9
195.06610	100.0
196.06943	4.5
243.08763	2.2
247.11836	27.6
363.44833	0.9
379.16071	28.2
379.20975	1.3
380.16428	1.7
438.63373	2.2
439.15616	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	439.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49742	1.0
57.62545	1.1
59.01376	59.7
61.98824	15.2
62.79557	1.0
63.22929	1.1
69.38528	7.8
71.01375	10.3
73.02934	2.0
85.02938	2.4
89.02441	7.4
93.03443	4.3
95.01398	1.2
95.99313	1.0
96.95981	1.2
98.00300	1.1
101.02437	7.8
113.02416	7.0
113.06093	10.7
117.03467	13.5
119.03598	2.6
119.05019	79.7
120.05354	3.4
121.02965	3.7
123.04537	1.7
125.02473	1.3
131.05016	2.9
132.05792	4.3
133.06593	23.7
134.06895	1.5
145.02945	94.6
146.03317	3.5
147.04491	3.9
149.06058	1.2
159.04541	2.9
161.06065	59.2
162.03166	2.7
162.06407	3.0
163.03998	99.2
164.04315	4.1
164.95323	1.2
174.64153	1.3
177.04105	2.0
177.05557	29.4
177.07111	1.6
178.05823	1.2
187.04002	4.0
191.05627	1.4
201.93404	1.1
205.05048	73.4
206.05394	4.2
206.34460	1.0
235.06105	54.5
236.06485	2.8
265.07150	100.0
266.07440	7.6
293.12354	4.5
307.08157	1.9
325.09229	26.3
326.09683	2.0
439.16034	33.5
440.16467	3.7
440.30893	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38876	1.1
57.03427	1.3
57.23387	1.1
58.00602	1.2
59.01373	66.4
60.01701	1.3
61.98822	15.7
71.01378	14.0
71.53677	1.1
72.98883	1.1
72.99298	2.8
73.02923	4.1
80.48609	1.2
80.99950	1.7
82.78656	1.1
85.02940	3.8
89.02441	8.7
93.03432	4.3
101.02431	6.7
106.04271	1.4
113.02419	5.5
113.06074	13.7
117.03457	15.2
119.03587	2.3
119.05016	69.1
120.05338	2.2
121.02939	6.1
131.05060	2.7
132.05760	4.7
132.16060	1.2
133.06580	19.0
145.02936	93.2
146.03290	3.5
147.04478	4.7
149.06018	1.7
159.04468	1.9
161.04663	3.0
161.06058	58.3
162.03194	1.6
162.06314	1.5
163.03990	93.9
164.04295	4.1
177.04095	2.1
177.05556	30.0
179.05595	2.6
187.03932	4.8
205.05031	74.9
206.05345	3.3
210.70744	1.3
217.12334	3.7
234.07120	1.3
235.06079	51.5
236.06375	4.5
265.07138	100.0
266.07538	7.3
278.46149	1.2
293.12320	4.7
307.08017	1.9
325.09280	27.5
439.15979	31.4
440.16287	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	439.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.3
58.00589	2.6
59.01377	100.0
71.01375	65.0
71.01774	2.0
72.99329	2.8
73.02942	6.3
83.01379	3.6
85.02943	11.9
87.00879	5.2
89.02441	92.4
90.02769	2.7
95.01385	2.0
101.02436	35.0
105.90286	1.7
109.10483	1.9
113.02439	22.7
119.03485	24.8
122.03800	2.1
125.02443	2.1
128.92897	1.7
131.03485	13.7
143.03496	7.5
149.02509	1.7
149.04546	43.2
150.03195	13.9
161.04625	8.8
165.01889	4.7
165.05554	20.1
176.76010	1.9
179.05605	29.5
180.04228	6.2
191.05637	9.9
195.06573	27.7
213.30098	1.8
247.11852	30.6
255.66615	1.8
379.16037	86.3
380.16409	7.9
384.39191	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	439.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	4.5
59.01375	19.2
61.98816	6.0
68.80052	1.7
71.01385	27.6
71.52449	2.5
73.02956	9.1
75.00871	3.2
83.01379	2.4
85.02948	7.3
89.02451	4.8
95.01334	1.5
101.02435	9.9
106.55608	1.7
113.02453	15.4
119.03471	2.8
125.06152	1.6
273.22269	5.7
277.21704	100.0
278.22043	6.8
289.22098	1.8
291.23291	31.0
292.23618	3.4
301.21744	5.5
303.23090	1.7
319.22647	13.5
331.22672	5.1
436.88226	1.5
439.32132	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	440.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97147	0.6
59.01069	1.3
59.01377	39.4
61.98827	100.0
71.01381	5.3
71.51981	0.7
73.02940	1.5
79.46209	0.5
83.01404	0.6
85.02943	1.4
89.02448	1.1
96.96030	1.0
101.02446	2.2
113.02471	1.9
119.05030	2.6
125.02415	0.7
161.04572	2.6
163.03972	3.2
165.05675	0.8
166.05936	0.6
176.03961	0.6
179.03641	0.6
195.06630	1.3
196.06975	1.3
203.05655	2.6
218.10373	0.7
265.11331	0.7
310.98990	0.6
314.62271	0.6
333.11926	7.9
440.12311	0.8
441.19034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45992	0.7
53.90629	0.8
57.41700	0.7
59.01377	100.0
60.01706	2.9
61.98827	87.6
69.24171	7.3
71.01376	11.6
73.02938	10.2
74.03288	1.0
83.01381	2.9
85.02946	3.5
87.00834	0.9
89.02444	2.4
94.68021	0.9
95.01391	0.9
98.19931	1.5
99.00891	0.8
101.02436	8.8
102.02782	1.4
113.02444	3.7
119.33613	0.8
132.38380	0.8
136.01686	1.1
137.02501	1.3
143.03471	1.0
161.04597	1.7
177.12868	0.9
183.26733	0.7
257.26505	0.9
291.18228	1.3
318.86414	0.8
398.22495	0.7
399.23895	1.3
403.00012	0.7
414.30194	0.8
426.12799	0.9
441.15451	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	441.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.2
61.98822	2.7
68.49538	0.4
71.01379	6.4
71.51544	0.4
71.51908	0.6
72.99303	0.5
73.02950	1.9
78.06306	0.5
80.56758	0.5
85.02944	4.3
87.00849	1.4
88.98803	1.6
89.02451	2.4
91.99648	0.5
93.03461	1.1
101.02423	4.2
113.02436	2.2
115.04003	2.0
116.53381	0.5
117.03460	16.5
118.98077	1.6
119.03625	0.7
119.05018	17.7
131.03526	0.9
133.06595	1.6
135.04504	0.9
145.02943	100.0
146.03285	3.7
148.95880	0.5
151.97101	0.5
161.02452	1.2
161.04572	1.4
161.06071	5.0
163.03993	19.9
164.04298	0.7
175.04022	1.0
177.05573	2.4
179.03461	0.7
186.29276	0.5
187.03973	0.5
205.05057	5.6
206.05418	0.7
235.06189	4.9
235.08426	0.7
265.07144	11.1
277.09134	0.4
295.10300	11.7
307.08026	0.5
325.09274	2.3
367.10291	50.3
368.10651	4.9
375.61761	0.5
381.11923	5.8
382.12296	1.0
403.10089	0.5
441.13565	8.2
442.14423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1761
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
55.01886	1.4
57.03437	3.1
58.00583	3.1
59.01377	92.0
61.98824	3.6
65.59900	0.8
68.13502	0.8
71.01379	55.7
71.52280	1.0
72.99297	4.6
73.02948	5.2
78.23931	1.0
83.01392	4.2
85.02946	11.7
87.00868	2.6
89.02440	57.2
93.03477	1.0
93.07655	1.0
95.01403	4.3
97.02957	1.6
99.00871	1.2
101.02438	38.6
107.05042	0.9
109.02942	8.3
113.02451	23.1
114.02740	1.2
118.98149	1.2
119.03497	29.2
119.05017	3.8
122.03761	2.1
124.05281	1.8
131.03491	3.3
133.06599	12.8
135.04543	2.5
135.08061	1.2
137.06111	2.7
139.07648	15.9
143.03500	3.9
143.07172	1.2
145.02917	5.4
147.04541	3.0
149.04610	1.9
149.06081	2.9
150.06914	1.0
157.08682	1.3
161.02481	1.3
161.04555	7.7
161.05992	2.0
163.03984	4.6
163.07622	1.1
169.08740	1.8
177.05589	1.7
179.04222	1.2
179.05551	6.1
187.11256	1.3
201.09248	1.5
202.10013	2.1
204.11621	1.5
205.05135	2.6
205.12254	4.4
206.12778	1.0
217.12318	6.7
235.13490	3.0
261.11334	1.7
264.78784	1.0
295.07532	1.3
295.10287	6.5
315.10910	1.4
330.13171	25.1
330.16934	1.5
331.13934	15.2
332.14044	1.3
381.31647	1.0
397.18524	5.3
423.16513	1.5
441.17715	100.0
442.17953	10.8
459.18436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01786	4.0
55.80080	3.5
59.01381	21.6
60.32349	3.7
61.98829	43.3
69.28606	26.7
69.29016	7.4
71.01361	13.1
73.02947	4.4
75.00863	5.9
83.05003	3.5
85.02945	6.3
87.00864	3.5
88.98817	6.3
89.02446	5.9
93.03438	4.1
93.58746	3.5
100.42192	4.6
101.02435	5.5
109.02922	5.2
113.02419	5.5
115.03978	5.9
119.05009	37.0
137.02428	9.9
150.03049	3.8
153.05521	3.8
163.03979	44.0
191.05513	6.2
198.71490	3.7
403.12149	6.5
441.14111	9.8
441.19043	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	441.1892
Annotation	Go 6983 6983
Peak:m/z	Relative Intensity
59.01369	6.7
61.98814	4.7
65.22509	3.1
70.76919	7.2
71.01369	4.7
87.83074	3.0
109.02953	3.8
119.05038	10.4
163.03972	10.3
441.13333	6.8
441.18982	100.0
442.19073	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	441.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63638	5.2
54.65734	4.9
54.69531	5.6
55.92265	4.8
58.28794	5.1
59.01373	24.3
61.98822	46.0
69.04965	5.1
71.01379	14.8
75.00865	7.2
81.94640	5.3
85.02956	9.5
85.31432	5.4
89.02409	5.8
93.03439	8.2
101.02431	8.2
113.02425	8.1
119.05031	50.3
122.80242	5.5
123.04501	6.7
137.02449	6.8
163.03999	64.7
168.99724	6.4
191.05646	6.8
199.00287	5.4
241.52718	5.9
423.37595	6.5
441.19159	100.0
442.19067	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	441.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.4
57.03426	2.2
59.01377	28.3
61.98823	1.5
69.48819	2.7
69.49211	6.9
71.01376	31.8
73.02950	13.1
75.00896	1.3
83.01377	7.2
83.55960	1.1
85.02949	18.6
87.00868	2.9
87.08148	1.3
89.02432	3.8
95.01369	1.6
97.02958	2.3
98.19858	1.1
99.00870	7.4
101.01802	2.2
101.02440	41.0
113.02444	12.3
117.03432	3.6
119.05025	5.8
125.02448	2.0
133.02965	2.6
133.05070	2.3
139.03918	1.6
143.03447	1.6
145.02959	12.6
146.03262	1.2
152.22337	1.2
159.02931	3.2
159.45694	1.3
160.28232	1.4
161.02425	2.7
161.04605	12.6
161.05927	2.8
163.04001	8.0
177.05444	1.5
179.30713	1.1
192.40057	1.2
205.04976	5.0
235.06096	3.4
249.13405	100.0
250.13693	5.0
265.07217	8.9
281.10284	1.1
289.88910	1.3
295.10251	2.6
343.28549	1.4
367.10358	2.6
381.17606	76.8
382.18076	6.5
403.12241	2.6
404.12894	1.3
441.13977	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	441.2484
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01883	0.5
57.03466	0.5
57.18997	0.3
58.00576	0.6
59.01376	100.0
60.01717	0.8
61.98822	0.4
69.86602	1.7
71.01379	11.5
72.99319	0.7
73.02942	9.3
77.35278	0.3
83.01379	2.6
85.02947	4.2
87.00840	0.6
88.90607	0.3
89.02430	3.8
89.88383	0.4
95.01397	1.1
97.02956	0.5
99.00886	0.8
101.02436	11.0
101.03108	0.6
113.02440	5.4
119.03520	1.2
124.08452	0.3
125.02449	0.5
131.03574	0.6
143.03540	0.8
149.04538	0.3
159.03004	0.5
161.04570	3.4
179.05637	0.5
237.18608	0.9
381.22998	0.8
399.23895	7.0
399.28809	0.6
400.24170	0.8
425.96866	0.4
441.24988	2.8
449.46838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03446	0.9
58.00581	0.3
59.01376	100.0
60.01710	1.0
61.98812	0.6
68.47399	0.2
69.03449	0.2
70.94972	0.5
71.01379	16.5
72.99313	0.8
73.02943	6.7
75.00867	0.7
83.01387	3.3
85.02946	8.5
87.00887	1.0
89.02442	2.1
95.01368	1.3
97.02955	0.3
99.00874	2.3
101.02438	13.4
109.82536	0.2
113.02448	5.9
119.03546	0.6
123.83298	0.2
125.02456	0.8
129.01982	0.3
143.03552	0.9
157.86664	0.2
159.03014	1.2
161.04546	5.7
184.50200	0.2
221.15494	0.4
235.17140	0.3
237.18617	0.5
279.19778	0.7
281.17477	0.3
333.20932	0.4
381.22781	2.2
399.23828	22.9
400.24274	2.5
434.95633	0.2
441.25089	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01864	0.3
57.70891	0.2
59.01376	100.0
60.01718	1.0
66.28438	0.2
71.01378	4.7
71.53536	0.4
73.02922	1.5
73.17297	0.2
83.01386	0.5
85.02937	1.9
89.02457	1.8
95.01404	0.3
99.00884	0.4
101.02446	2.6
113.02437	2.1
119.03513	0.7
142.54491	0.2
153.51027	0.2
161.04562	1.3
179.05562	0.3
216.37085	0.2
399.24036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.3
59.01377	100.0
60.01705	0.8
70.26521	0.5
70.26913	0.4
71.01382	4.6
71.01770	0.3
73.02946	2.0
83.01397	0.5
85.02952	1.3
89.02436	3.5
89.02932	0.3
95.01392	0.3
101.02446	2.7
113.02446	3.6
119.03486	1.5
137.73836	0.2
143.03558	0.3
161.04588	1.0
178.46130	0.2
179.05568	0.4
193.55275	0.2
351.21017	0.2
381.23166	0.6
399.23831	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	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78988	0.5
55.01868	0.6
57.03444	0.5
58.00595	1.1
59.01377	100.0
60.01687	0.6
60.47247	0.5
61.98841	0.9
64.04866	0.4
65.05521	0.5
69.03472	0.8
70.37024	1.9
71.01379	22.5
72.99305	0.7
73.02944	33.0
83.01382	7.3
85.02948	4.0
89.02442	6.0
95.01357	1.0
97.02944	0.8
101.02440	28.0
113.02445	8.7
119.03514	2.1
125.02473	1.0
130.12781	0.4
131.03510	1.5
140.33269	0.4
143.03546	1.7
149.04536	1.1
155.03575	0.6
161.04532	4.1
399.23932	1.1
419.62552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03292	0.4
59.01376	100.0
60.01701	0.9
61.98830	4.2
68.05422	0.5
69.03454	0.6
71.01376	10.9
72.99336	0.5
73.02946	13.9
83.01389	3.2
85.02959	2.5
85.25754	0.4
89.02447	4.3
92.45014	0.4
95.01385	1.1
101.02444	11.9
113.02446	6.4
117.74441	0.4
119.03513	1.5
125.02445	0.5
131.03500	1.8
143.03514	0.6
149.04642	0.8
149.07309	0.4
161.04526	2.0
179.05740	0.6
323.83447	0.4
399.24084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2489
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
57.03430	0.3
59.01373	100.0
60.01707	0.9
70.83381	0.6
71.01378	5.4
73.02938	1.7
83.01395	0.8
85.02937	2.0
85.22187	0.3
89.02433	2.8
95.01376	0.3
99.00902	0.3
101.02437	2.7
113.02443	3.4
119.03522	1.0
132.44463	0.2
137.02467	0.3
161.04549	1.0
179.05603	0.3
352.92456	0.2
381.22867	1.1
398.11060	0.2
399.23764	2.8
413.81534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.9
61.98827	100.0
70.08660	0.7
70.09053	1.4
71.01365	2.8
72.99307	1.5
73.02921	0.6
75.00864	2.8
79.44328	0.4
85.02962	1.9
87.00867	0.7
89.02425	3.0
93.03475	0.8
99.00894	0.5
101.02444	1.9
113.02483	1.6
115.81247	0.4
119.03513	0.9
119.05037	3.9
120.05379	0.4
133.06569	0.9
134.03763	0.5
135.03075	0.6
137.02435	1.6
137.63298	0.4
138.02809	0.8
145.02948	2.9
149.02071	0.4
149.06071	0.5
153.09216	0.6
161.02499	0.8
161.04736	0.6
161.06023	2.7
163.04021	5.0
164.04399	0.7
176.66574	0.4
177.05580	1.4
191.05632	1.7
193.04996	0.6
205.05060	2.1
220.78668	0.4
221.11743	0.5
235.06316	0.6
249.05844	0.5
253.04610	0.5
265.07217	1.4
267.07291	1.4
276.88654	0.4
297.08258	8.9
325.09149	0.4
442.18231	3.3
443.11823	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.5
60.99008	1.0
60.99302	15.5
61.98829	0.8
71.01373	1.9
75.00854	1.3
79.26104	0.6
82.62653	0.6
85.02935	4.1
88.73226	0.7
88.98799	100.0
89.02461	0.9
89.99110	1.1
93.03451	1.5
101.02434	1.4
103.70480	0.7
113.02399	1.0
119.05008	3.3
124.11203	0.8
135.04485	1.3
149.06050	0.7
161.02443	1.9
163.03973	3.0
171.06708	0.7
179.03522	1.4
190.97914	0.7
191.05597	69.7
192.05949	2.7
209.67548	0.7
221.04482	1.0
244.53354	0.6
281.13934	1.2
297.08252	2.4
317.76151	0.9
353.08673	10.3
353.12564	1.1
354.09326	0.9
383.09888	0.8
443.12054	2.5
443.19333	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	443.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	35.6
61.98826	25.2
69.70249	2.1
69.70654	5.0
71.01376	16.6
72.99309	6.3
73.02940	3.2
75.00871	23.9
81.95570	1.1
85.02941	6.7
85.48108	1.2
87.00851	2.5
87.97607	1.2
89.02438	20.7
93.03428	2.0
95.01369	1.8
99.00903	2.7
101.02431	11.8
113.02445	10.7
117.01880	1.6
117.03443	3.9
119.03516	7.9
119.05013	23.8
120.05341	1.6
121.02953	1.3
132.05788	1.9
133.02922	1.2
133.06593	7.7
134.03732	4.7
135.03024	2.6
135.04504	1.9
137.02425	2.4
145.02936	32.2
161.02449	6.4
161.04720	1.0
161.06059	22.8
162.06345	1.6
163.03998	31.1
164.04353	2.5
175.03996	2.0
177.05544	9.6
179.03453	1.5
191.05421	1.1
193.05055	2.9
205.05040	19.2
206.05478	1.5
235.06100	3.6
263.12955	1.3
265.07153	11.1
267.07187	11.3
281.06287	1.3
281.08972	1.3
297.08231	61.2
298.08514	3.6
325.09250	1.7
367.10397	2.0
426.66330	1.0
443.11862	100.0
443.17346	4.2
444.12140	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	443.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15364	1.3
55.01867	1.6
57.03444	2.6
59.01377	35.4
61.78215	1.1
61.98817	2.1
66.52753	1.3
68.99820	2.0
69.03437	1.4
69.64532	6.9
71.01379	31.4
71.01778	1.6
71.12087	1.1
72.99294	3.4
73.02265	1.2
73.02940	4.0
75.00864	14.2
85.02949	18.0
87.00880	7.9
89.02435	11.9
89.03929	1.3
93.03450	1.8
95.01401	3.9
98.20611	2.8
99.00867	9.5
101.02461	8.5
111.00889	1.3
113.02443	26.6
117.01991	1.6
117.03465	28.2
119.03509	3.5
119.05011	13.7
120.05264	1.3
129.01932	2.5
131.67767	1.2
133.02977	2.2
133.03943	1.2
133.06592	1.3
134.03735	56.8
135.04527	3.4
137.02444	2.6
137.83018	1.3
145.02943	100.0
146.03290	3.1
149.06082	4.4
160.01640	4.9
161.02409	4.1
161.04611	1.9
161.06049	3.0
163.03998	21.3
175.02565	2.7
175.03990	6.4
177.05460	2.2
178.02513	1.4
179.03519	2.2
193.05043	30.4
205.05083	1.9
214.97736	1.2
249.06105	22.5
252.06274	1.4
253.07243	1.4
260.61740	1.4
265.07156	1.8
267.07141	57.9
268.07455	1.9
336.16263	1.6
353.17523	1.4
425.10669	3.1
443.11609	42.0
443.16724	31.4
444.11484	2.7
444.16348	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	443.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
59.01376	43.9
61.98826	71.8
62.98520	1.4
63.78782	1.3
63.99243	1.5
67.62370	1.4
70.23499	1.3
71.01375	22.2
71.80018	1.7
72.99301	16.1
73.02921	4.7
75.00867	30.1
76.61065	1.2
77.97074	1.3
83.01376	2.2
85.02950	8.1
87.00853	5.6
89.02438	18.6
92.99330	1.6
93.03401	3.0
93.75507	1.4
97.02866	1.5
99.00883	7.3
101.02435	19.0
113.02428	11.8
113.58629	1.6
117.01907	2.1
117.03436	5.6
117.59038	1.5
119.03560	7.7
119.05015	39.3
121.02958	2.5
133.02922	2.8
133.06599	9.9
134.03712	11.3
135.02998	3.5
135.04552	2.9
145.02937	30.2
147.04448	1.8
153.09166	5.7
161.01015	2.6
161.02428	5.1
161.04695	1.4
161.06053	23.0
163.03996	43.3
175.03955	2.3
177.05492	9.1
179.03462	2.5
179.05547	1.8
191.05595	20.3
193.05022	5.9
203.10728	1.7
205.05049	22.7
206.05423	1.7
206.35643	1.4
221.11784	2.9
235.06020	5.4
249.06067	2.9
261.06085	1.5
265.07138	13.7
267.07169	15.1
297.08237	85.3
298.08557	2.4
353.08603	3.3
367.10156	3.6
443.11816	100.0
444.12207	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	443.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	26.2
61.98813	3.6
62.06634	3.0
65.03966	30.7
71.01378	31.2
71.50972	4.0
71.51341	4.5
72.99342	7.8
73.02965	6.6
85.02974	4.9
87.00848	8.4
88.98810	8.0
89.02428	31.5
98.95585	4.2
101.02446	51.4
111.01998	7.1
113.02459	8.8
119.03483	7.0
120.32207	3.9
121.06615	16.4
129.01996	3.6
131.03452	4.7
133.01489	3.8
139.03987	41.9
142.99887	4.5
147.02899	4.5
165.05508	14.7
177.58003	3.3
179.05545	15.1
183.06607	100.0
184.06900	7.3
188.36334	3.2
189.01251	3.3
205.03543	3.4
242.30496	3.4
250.45915	3.2
251.07565	8.4
268.05069	3.2
295.01196	4.1
319.62482	3.5
341.10880	44.1
342.11255	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	443.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.1
60.99293	6.9
61.98812	16.9
65.03958	39.4
65.78970	3.8
70.00385	16.0
71.01373	21.5
73.02940	4.2
85.02940	6.6
88.98787	50.5
89.02448	9.4
96.95981	21.5
101.02444	17.5
113.02446	7.7
114.27609	3.7
119.05026	9.3
121.06560	14.0
135.04503	9.1
139.03998	42.3
139.22517	3.9
161.04564	3.7
163.03969	7.3
165.05502	19.0
166.77594	3.4
183.06613	100.0
191.05629	28.0
194.37041	3.9
219.06480	4.5
251.11325	11.3
353.08203	4.5
380.15482	6.3
383.15439	9.6
443.11618	11.6
443.19312	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	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44069	0.1
55.68155	0.2
59.01377	5.2
60.01713	0.2
61.98812	0.9
64.45200	0.2
67.06989	0.2
69.00983	0.1
69.53820	0.3
69.54227	0.9
71.01379	2.8
72.99293	0.2
73.02943	0.6
83.01391	0.2
85.02956	0.5
89.02439	3.3
97.02937	0.3
99.00909	0.3
101.02422	1.3
108.02182	0.5
111.00878	0.5
113.02417	0.7
119.03497	0.3
120.56264	0.2
122.03798	0.9
125.02439	0.9
130.04218	0.2
131.03468	0.5
131.04987	0.2
134.03709	0.2
135.04524	0.2
139.04002	0.3
145.02980	0.3
147.04492	1.0
148.05292	1.9
149.06065	100.0
150.06409	4.2
161.04514	0.2
163.03957	0.2
191.05641	0.5
219.96075	0.2
231.53679	0.2
233.06609	0.6
240.07671	0.2
246.54774	0.1
249.64195	0.2
293.08713	1.7
308.51782	0.2
339.48883	0.2
384.08270	0.6
407.13876	0.2
443.14517	2.1
444.15689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.7
59.01379	10.2
71.01377	6.4
72.99296	0.9
73.02943	1.3
73.27491	0.5
75.00858	1.2
76.17031	0.4
77.85470	0.4
83.01368	0.6
85.02946	3.1
87.00866	1.5
89.02454	5.4
93.03450	0.6
95.01373	0.6
98.19913	1.7
99.00851	1.5
101.02428	3.3
113.02447	5.3
117.03460	23.9
118.03778	0.5
119.03491	1.5
119.05020	16.2
120.05343	0.7
121.02983	0.6
133.06538	0.6
134.03731	5.9
135.06627	1.5
145.02945	100.0
146.03291	4.8
160.01591	0.7
161.02426	2.3
161.04631	0.4
161.06058	1.3
163.03999	24.8
164.04343	1.3
175.04007	0.5
177.05624	1.2
179.03439	0.5
193.05042	2.6
205.05061	3.1
225.12694	0.5
229.07182	0.5
235.06174	1.0
249.06058	2.4
265.07147	1.6
267.07166	6.7
410.25595	0.5
443.15668	63.8
444.15945	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	443.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45752	0.4
57.03447	1.4
59.01377	12.4
61.98822	2.8
70.76578	0.6
70.76906	0.6
71.01372	8.9
72.99302	0.9
73.02944	1.7
74.58350	0.5
75.00861	1.5
77.97212	0.4
83.01370	0.7
85.02946	4.3
87.00868	1.5
89.02438	5.8
93.03452	0.4
95.01395	1.1
99.00866	1.1
99.04530	0.8
101.02428	5.0
103.00316	0.5
113.02459	5.7
117.03457	22.3
118.03794	0.5
119.03574	2.6
119.05014	14.8
120.05353	0.5
125.02382	0.6
133.02928	0.6
133.06618	0.8
134.03722	7.7
135.06630	1.7
137.02472	0.8
139.07658	0.6
141.81053	0.5
145.02942	100.0
146.03275	4.6
149.06067	0.8
150.39322	0.4
160.01611	0.4
161.02425	1.2
161.04636	1.0
161.06056	2.4
163.03998	23.5
164.04272	0.7
175.03947	0.9
177.05533	0.9
179.05542	0.5
193.05046	3.6
205.05104	2.4
222.88553	0.5
235.06120	0.7
249.06009	2.3
260.35904	0.6
265.07050	1.5
267.07132	9.0
268.07306	0.5
281.13828	0.6
307.08240	0.5
383.09210	0.5
443.15533	56.5
444.15829	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	443.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92907	0.6
55.01873	0.9
55.54121	0.6
57.03433	1.0
58.00590	3.1
59.01376	100.0
59.98525	0.8
60.01704	1.3
68.18724	0.6
71.01379	57.7
72.01744	1.3
72.99313	3.6
73.02958	2.4
73.78774	0.6
79.05536	2.6
80.02687	0.7
81.03448	3.6
83.01373	2.3
85.02944	11.0
87.00903	1.7
89.02439	83.0
90.02763	0.8
93.03476	0.9
93.07096	0.8
95.01371	4.0
95.05020	3.4
98.20767	1.1
99.04518	6.4
101.02437	32.2
105.07114	0.8
106.04252	1.6
107.05044	6.0
113.02442	26.3
113.06098	3.1
114.02789	0.8
119.03493	34.7
120.03893	0.8
131.03513	3.9
139.07674	3.5
143.03503	5.6
143.08702	0.8
149.04564	2.3
157.06619	1.1
159.11815	3.0
161.04597	4.3
169.10262	1.8
172.08992	1.6
179.05594	10.5
185.09747	1.6
187.11270	44.7
188.11624	3.0
219.13847	15.2
220.14288	1.1
231.10233	5.5
249.11356	1.5
263.12842	44.6
264.13220	3.9
273.79242	0.7
424.75839	0.8
443.19302	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
56.57063	0.9
57.03431	0.9
58.00588	3.5
59.01376	100.0
59.98516	1.2
60.01706	0.9
67.34007	0.8
69.46455	0.8
71.01377	56.7
72.99299	3.0
73.02936	2.9
79.05524	3.2
81.03451	2.5
83.01367	2.3
85.02950	8.7
87.00891	3.0
89.02439	69.7
93.07113	1.0
95.01402	4.1
95.05032	2.5
98.20762	1.8
98.65703	0.8
99.04505	11.5
101.02437	30.9
101.03108	1.7
106.04236	1.7
107.05041	5.1
113.02439	21.8
113.06068	3.1
119.03496	29.7
120.05820	1.1
131.03499	3.4
134.18279	0.9
139.07675	3.7
143.03493	3.8
149.04529	2.5
149.84557	0.9
157.06622	1.8
159.11795	2.0
161.04559	3.5
169.10266	1.1
172.08916	1.5
179.05592	9.3
187.11272	41.1
188.11652	2.1
219.13881	9.4
229.32407	0.8
231.10361	4.1
241.26331	0.9
249.11316	1.5
263.12848	49.6
264.13110	2.6
443.19116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.4
58.00584	3.7
59.01376	100.0
60.01705	1.0
61.98811	1.7
64.80157	0.9
70.71174	2.1
71.01379	56.5
71.34789	0.8
72.01690	0.8
72.99286	2.6
73.02936	3.0
79.05515	2.5
81.03449	5.7
83.01347	1.6
85.02950	9.7
87.00867	3.0
89.02440	72.9
93.07059	1.1
95.01378	3.4
95.05033	4.7
99.04527	6.1
101.01805	1.8
101.02437	27.9
106.04227	1.4
106.53722	0.9
107.05013	5.0
113.02441	22.8
113.06072	4.6
119.03499	30.2
120.03928	0.8
121.93686	0.8
131.03502	4.2
139.07642	3.4
143.03459	3.9
149.04547	2.1
157.06522	1.0
159.11717	2.1
160.69234	1.0
161.04530	3.6
161.09715	1.4
169.10147	1.5
171.08125	1.2
172.08876	1.6
179.05571	8.7
185.09741	1.5
187.11269	38.0
188.11549	2.3
219.13884	9.5
224.48997	0.9
231.10152	5.8
249.11307	1.6
263.12860	36.0
264.13098	2.0
294.28122	0.9
297.54419	0.9
316.72687	1.1
443.19330	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	443.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57008	0.4
55.01865	2.2
57.03434	1.9
57.03682	0.4
58.00579	1.2
59.01376	34.6
60.99291	1.7
61.98832	3.1
69.03452	0.5
69.23528	4.0
71.01377	25.4
72.99303	3.5
73.02933	3.8
73.86520	0.4
75.00873	1.7
78.26984	0.4
82.38222	0.5
83.01380	4.1
83.05008	0.7
85.02943	9.8
87.00869	2.6
88.98801	9.0
89.02436	17.0
93.03435	0.5
95.01393	2.4
96.95977	0.5
99.00877	2.9
101.02436	18.3
101.99559	0.4
111.04494	0.9
113.02440	10.2
115.00395	0.5
116.07074	0.4
116.92869	0.5
119.03493	7.3
119.04963	3.2
121.06575	0.6
125.02465	0.5
131.03505	1.1
133.02942	0.8
134.03712	1.0
135.04477	1.9
143.03462	1.2
145.02919	1.3
149.04500	0.5
161.02437	4.4
161.04552	1.6
161.06081	1.5
163.04039	2.4
171.06602	1.9
171.11769	0.5
177.05589	1.1
179.03458	2.0
179.05627	0.7
179.07054	0.6
189.12845	1.1
191.05598	7.5
193.05022	0.9
205.05083	1.0
219.13858	1.0
221.04550	0.6
221.06612	0.4
237.14986	0.9
265.07181	0.8
267.07034	0.7
281.06546	1.0
297.08264	3.6
353.08722	1.7
383.09760	2.2
443.12384	6.5
443.19150	100.0
444.13522	1.0
444.19604	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01706	1.0
61.98832	8.2
70.06592	1.3
70.06873	5.1
76.96110	1.1
78.85570	1.0
91.04005	4.8
111.08148	2.2
117.92923	1.2
121.02901	1.0
197.11807	4.7
291.19510	3.8
292.19528	1.1
309.20599	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	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49368	0.5
59.01375	100.0
60.01718	0.8
61.98833	1.4
64.23219	0.5
69.27766	5.2
71.26998	0.5
83.01478	0.7
89.02418	0.9
90.70100	0.6
91.04019	2.6
100.18809	0.6
111.08168	1.4
127.48772	0.6
150.72086	0.6
163.97939	0.7
176.77095	0.6
197.11836	5.1
212.04260	0.6
291.19785	3.2
309.20639	8.5
330.00500	0.7
443.31659	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1138
Annotation	5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate
Peak:m/z	Relative Intensity
58.00586	0.7
59.01376	12.3
61.98820	1.8
69.03465	1.1
69.48167	3.4
71.01371	3.7
71.05013	1.5
73.02923	0.8
76.64108	0.4
81.03463	1.9
82.39854	0.5
83.01414	0.5
85.02944	2.1
89.02452	1.4
91.36375	0.5
92.21168	0.5
93.03455	1.1
95.01373	1.5
95.91472	0.4
101.02444	1.1
101.06061	0.7
108.02169	100.0
109.02974	27.0
110.03307	0.5
113.02420	0.9
113.06028	0.6
117.05582	5.7
119.05028	0.5
121.02968	1.3
123.00877	1.1
123.04495	0.7
125.02407	0.6
133.02960	5.8
135.00844	1.4
135.04520	1.1
135.08092	0.5
137.06046	0.6
147.04515	1.9
151.04001	1.4
152.01143	71.9
153.01938	25.7
154.02196	0.7
161.02428	15.7
161.04478	0.8
162.09825	0.5
163.04012	1.4
165.01949	1.2
165.09200	0.5
167.08725	0.7
169.06577	0.5
179.03477	0.9
183.08121	2.0
183.10231	1.0
189.35248	0.6
193.06468	0.8
195.08090	0.9
197.06058	0.8
209.11797	1.7
210.06900	1.0
211.07581	3.9
213.09055	0.7
225.11302	0.7
226.06294	0.7
238.06267	0.6
239.07112	8.4
241.08694	0.8
279.10684	1.4
297.06345	0.5
314.28094	0.5
397.69873	0.5
426.58118	0.5
445.11212	89.3
445.20087	14.8
446.11511	9.2
446.21060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.5
60.82578	1.0
66.18272	1.0
70.87044	2.1
70.87384	1.1
71.01371	5.0
75.00867	80.9
85.02914	1.2
89.02443	8.6
101.02443	3.0
103.00366	100.0
104.00703	1.4
104.03516	2.6
113.02435	3.6
119.03490	3.3
131.03548	1.2
149.04520	3.4
179.05609	2.8
191.05608	2.0
203.13908	1.0
253.11591	1.1
341.10873	10.0
386.72995	1.1
445.15729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03458	0.6
58.00616	0.5
58.36814	0.3
59.01376	12.4
59.54113	0.3
61.98826	7.2
69.88313	0.2
71.01377	8.6
71.51468	0.3
71.51873	0.4
72.99313	1.0
73.02969	1.1
83.01411	0.7
85.02941	5.6
87.00893	1.1
89.02444	6.1
89.02946	0.4
90.85162	0.3
95.01382	1.9
96.96023	0.6
97.02941	0.4
99.00881	0.4
101.02435	4.8
105.03500	0.3
107.05058	1.4
108.02185	0.7
109.02953	0.3
113.02442	8.6
115.01971	0.3
116.70909	0.3
117.03471	1.0
119.03519	2.5
119.05008	2.1
120.10768	0.3
121.02946	0.5
121.05082	1.3
123.04528	0.4
131.03490	0.5
132.02161	1.1
133.02950	28.8
134.03746	0.8
135.04514	9.0
136.04880	0.3
137.02417	0.5
143.03510	0.5
147.02980	0.4
147.04533	0.3
149.02490	0.3
149.06116	0.5
151.03992	3.7
161.02429	100.0
162.02753	4.3
165.05557	0.8
175.04028	0.3
177.05544	0.5
179.03484	5.9
179.05525	0.8
179.06978	0.4
181.08751	0.5
191.05638	0.3
221.04507	0.5
223.06079	0.6
241.14420	0.4
251.78722	0.3
265.10556	0.5
281.06668	0.3
281.10400	0.3
299.11212	1.2
323.07361	0.4
433.45898	0.3
445.13239	68.4
446.13528	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	445.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71297	1.6
53.45770	1.4
59.01376	100.0
61.98822	3.0
69.30877	3.3
69.31285	8.6
71.01376	22.6
73.02938	21.0
75.00859	2.1
76.23479	1.6
76.65566	1.6
83.01407	3.9
85.02937	4.5
87.00883	5.5
89.02429	7.8
93.03436	3.0
93.39035	1.4
95.01402	1.7
98.20691	2.9
101.02434	14.5
109.06574	14.3
113.02454	7.5
119.03483	2.2
135.08148	48.8
136.08501	1.7
149.06113	1.5
153.09192	33.5
161.04529	2.8
179.05545	1.7
179.07097	1.6
181.08681	6.7
188.97989	1.5
197.08180	74.8
198.08542	2.6
205.12067	1.7
209.11891	2.4
325.63760	1.5
338.87848	1.3
341.12314	6.5
359.13513	4.0
385.18832	1.8
401.14529	26.4
402.14508	2.0
411.37799	1.6
445.20651	2.8
461.71063	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03417	2.6
58.00578	3.3
59.01376	100.0
60.01690	1.8
60.99274	2.1
61.98817	5.9
68.99807	6.0
69.03449	3.3
71.01377	58.3
71.51873	2.2
72.99305	9.6
73.02937	10.0
75.00879	7.5
83.01389	7.7
83.05028	2.4
85.02951	14.2
87.00873	16.4
87.55605	1.4
88.98800	3.7
89.02438	48.8
93.03432	4.8
95.01372	5.8
95.05018	1.7
97.02923	2.3
97.91727	1.7
99.00880	15.6
99.04524	2.7
101.02438	42.1
103.00356	3.4
107.04993	5.1
108.02161	3.8
109.02913	6.2
110.02430	1.4
111.00896	4.8
111.04508	1.9
113.02444	20.3
119.03483	22.7
119.04990	6.7
121.02932	5.5
123.00880	2.2
123.04483	3.7
125.02397	6.2
127.00375	26.9
127.03980	2.3
129.01956	8.1
131.03464	2.1
133.02895	2.2
133.06560	9.0
134.03690	1.8
135.04495	12.8
135.71867	1.3
137.02406	5.0
137.06049	2.0
139.03986	2.6
143.03456	2.3
143.04967	3.0
147.04533	7.2
149.02423	2.1
149.06027	3.7
149.07161	1.7
150.03139	1.9
151.04016	9.8
155.03444	1.9
157.06561	2.5
158.03700	2.3
159.04472	5.0
161.02406	3.5
161.04605	4.0
161.06036	13.2
162.04663	1.6
163.03990	5.8
163.07613	1.6
165.05539	3.5
173.06047	7.0
174.06479	1.6
175.03955	4.4
175.07619	4.2
177.01817	2.0
177.05522	12.7
179.03447	4.1
179.05560	6.8
179.07031	2.5
181.04999	4.1
185.06018	3.0
187.04028	2.1
191.05661	2.8
191.07103	10.4
195.06537	2.0
201.05499	11.4
203.07101	4.3
203.14714	1.5
205.04999	4.8
219.02766	1.6
219.06621	14.6
223.06059	3.6
229.04958	4.9
232.52098	1.5
235.09889	2.3
237.07758	3.0
247.06096	26.1
248.06239	2.1
265.07211	7.3
339.10501	1.6
357.11774	2.9
381.11722	1.9
385.11325	5.0
399.12860	18.0
400.13040	2.2
400.69373	1.5
409.11273	2.6
417.14056	11.8
427.12390	74.7
428.12677	5.5
445.13336	56.3
445.19556	2.7
446.13565	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	445.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84272	0.2
59.01375	5.7
61.98816	0.4
64.40717	0.3
69.29227	1.2
69.29649	1.0
71.01375	2.2
71.22610	0.2
85.02950	0.7
89.02422	1.4
91.26777	0.2
101.02429	0.8
111.00835	0.7
113.02440	0.7
117.03455	28.2
118.03818	0.8
119.03598	0.5
119.05017	13.0
119.15937	0.3
121.02921	0.3
131.47836	0.3
133.06558	0.6
137.02417	3.0
137.06073	0.5
145.02943	100.0
146.03275	4.0
161.06065	1.5
163.03996	12.7
164.04373	0.6
177.05516	0.3
187.34544	0.2
200.40367	0.3
205.05060	1.8
235.06093	0.4
265.07193	1.4
271.76392	0.3
300.02780	0.6
301.03452	0.6
319.51862	0.3
384.66824	0.3
445.14993	59.0
446.15298	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	445.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.1
60.38140	0.3
61.98819	1.1
69.48541	0.7
69.48957	1.1
71.01379	3.0
72.99287	0.5
73.02927	0.4
83.01381	0.6
85.02939	0.7
87.00848	0.3
89.02429	1.7
93.03434	0.4
98.20650	0.3
99.35085	0.3
101.02445	1.2
109.02988	0.3
111.00866	0.4
113.02451	1.0
117.03458	27.1
118.03786	0.9
119.03530	0.9
119.05015	12.7
120.05340	0.3
133.06577	0.6
135.04543	0.4
136.01657	0.4
137.02431	17.2
137.06007	0.6
138.02771	0.3
145.02942	100.0
146.03281	4.1
161.02425	0.3
161.04883	0.4
161.06056	1.9
163.03989	12.7
164.04323	0.6
177.05536	0.6
179.03442	0.2
188.01314	0.2
193.04984	0.3
205.05049	1.4
223.13379	0.4
235.06140	0.6
238.53101	0.3
265.07159	0.9
299.07776	1.7
353.82056	0.3
385.18484	0.4
445.15018	55.4
446.15363	6.7
449.35187	0.3
450.23969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72501	0.4
59.01376	100.0
60.01724	1.2
61.98835	0.7
64.91573	0.4
71.01379	22.1
72.99298	1.0
73.02937	0.9
75.00885	1.4
84.68421	0.4
89.02456	1.2
93.55342	0.5
98.90742	0.4
101.02489	0.5
105.01960	0.7
113.02484	0.6
135.04631	0.5
137.02504	0.5
145.02974	1.2
147.03029	0.8
149.06108	1.8
150.06422	1.0
161.04520	0.5
170.85222	0.4
173.82982	0.5
181.08688	31.5
182.09006	0.9
255.32542	0.4
301.03650	1.0
340.14230	0.4
385.09036	0.6
385.18811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00956	0.4
51.06207	0.4
55.01875	0.4
57.03452	1.1
58.00584	1.2
59.01376	100.0
60.01710	1.0
61.98830	2.7
71.01379	24.5
72.99295	2.4
73.02939	3.2
75.00878	1.5
83.01398	1.5
85.02952	4.3
87.00870	2.7
88.98818	1.6
89.02440	34.9
93.03448	0.6
95.01398	1.4
97.02940	0.8
97.75699	0.4
101.02432	14.4
108.02172	1.1
109.24306	0.4
111.00890	0.5
113.02444	11.0
119.03493	13.4
123.04504	3.0
124.92637	0.4
131.03517	1.8
133.02989	0.6
135.04565	0.4
143.03477	3.1
149.03551	0.4
149.04504	2.3
151.03981	4.4
151.07652	1.1
153.05542	0.4
161.02499	2.0
161.04546	6.1
161.05913	0.7
163.04092	0.4
163.07643	0.8
165.05690	0.4
179.05603	14.4
180.07976	1.2
181.08742	1.7
191.05646	1.2
193.05026	0.5
204.94437	0.4
205.04916	0.4
205.12392	0.7
223.09991	0.4
223.13245	0.4
255.77467	0.4
265.10767	4.8
266.11325	0.7
276.02866	0.4
308.22546	0.4
313.12839	0.7
325.12753	0.5
367.17569	15.6
368.17911	1.4
382.50348	0.4
383.09726	0.6
385.18890	1.1
436.11472	0.6
442.09314	0.5
445.12643	1.8
445.17154	3.9
446.17719	0.8
467.22015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80860	0.5
59.01379	14.8
61.98835	1.8
65.00314	0.5
69.17998	4.8
70.98630	0.5
73.02932	1.8
79.12998	0.5
83.01379	0.8
85.02946	1.1
89.02429	1.0
93.03433	0.8
98.20606	1.0
101.02429	1.7
107.01380	0.8
113.02457	1.0
125.02390	0.6
151.00325	3.2
151.04039	0.5
161.04538	0.6
163.00340	0.9
169.48874	0.5
179.03581	0.5
181.12361	0.6
183.04489	1.3
191.05580	3.0
199.03886	0.6
211.03951	0.7
216.75804	0.7
227.03474	65.2
228.03856	4.2
229.04947	1.8
239.03397	0.7
255.02959	88.5
256.03595	11.1
257.04410	1.6
267.63837	0.5
284.03241	71.1
285.03934	28.2
286.04468	1.4
307.29370	0.6
328.05350	0.5
387.20120	1.5
405.21494	0.9
447.09271	100.0
448.09616	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	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.7
59.03781	0.5
61.98817	1.5
68.93768	0.4
69.22346	0.9
69.22752	2.8
71.01366	3.5
73.02937	1.3
83.01375	0.7
85.02952	0.9
89.02440	1.6
93.03438	0.5
101.02447	1.5
104.74367	0.4
107.01340	0.5
113.02454	0.9
125.02480	0.5
151.00351	1.8
161.02452	0.9
161.04565	1.1
169.01353	0.5
178.99867	0.6
183.04478	0.9
185.06036	0.6
191.05553	2.1
211.03998	1.8
225.08644	0.5
227.03473	61.2
228.03896	2.8
229.05028	0.8
255.02965	79.8
256.03586	11.5
257.04391	1.4
284.03232	65.5
285.03958	26.0
286.04401	1.7
327.05078	1.3
373.15988	0.5
387.20227	1.0
398.02921	0.5
434.02017	0.4
447.09259	100.0
448.09647	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	447.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.8
57.03445	30.2
59.01378	9.2
61.98824	1.4
68.99816	1.1
69.79350	0.5
71.01384	3.3
71.48837	0.6
73.02959	1.4
83.01382	4.0
85.02955	3.2
87.00861	0.5
89.02424	2.9
95.01387	6.1
96.95969	0.6
99.00828	0.6
99.04514	15.2
101.02437	7.6
102.89516	0.6
111.00875	38.9
112.01228	0.9
113.02436	3.8
118.98080	2.0
119.03481	1.2
123.00885	1.7
123.04532	1.9
125.02435	6.8
127.82561	0.6
141.01933	100.0
142.02249	2.8
143.03493	1.3
153.05533	1.6
161.04552	7.3
179.05576	1.7
221.06671	1.3
225.07707	0.8
258.42175	0.5
263.07834	1.8
303.07126	3.1
305.08920	0.7
323.09708	2.7
443.48560	0.6
447.11450	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	447.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03442	0.7
59.01371	8.5
61.98820	0.8
65.03972	0.7
69.03439	0.6
71.01372	9.3
72.24001	0.5
73.02938	2.1
74.99075	0.9
81.03436	1.0
83.01376	1.5
85.02940	5.0
86.70179	0.6
87.00865	1.1
87.74348	0.6
89.02441	6.2
95.01373	1.9
97.02928	1.5
98.20649	1.7
101.02443	2.5
108.02166	38.7
109.02951	25.7
113.02415	2.1
118.98073	8.1
123.00916	1.1
123.04494	1.7
125.02419	1.2
131.03499	0.9
134.03714	0.7
138.41542	0.5
139.03967	0.9
141.01968	0.7
143.03481	0.7
151.03934	0.6
152.01140	56.6
153.01933	17.1
161.04556	0.6
163.03993	1.7
165.01968	1.3
219.06483	0.7
225.03992	0.8
414.26505	0.8
429.10641	0.6
447.11368	100.0
448.11859	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	447.1293
Annotation	Siebolside A
Peak:m/z	Relative Intensity
51.02383	1.2
58.00652	0.7
59.01381	6.1
61.98826	1.7
67.01872	0.8
69.03458	50.1
69.46621	5.9
76.00032	0.8
79.01892	48.0
81.03482	2.0
85.02943	2.1
88.98818	1.3
89.02470	1.9
95.01402	9.7
97.02947	31.5
98.03281	1.3
107.01389	86.2
108.02188	32.7
108.86527	0.9
109.02940	2.5
121.02930	2.5
123.00883	14.5
125.02447	46.2
126.02797	1.4
133.02963	1.4
135.00887	72.1
136.01643	2.6
137.02461	1.7
145.02931	1.0
146.92648	0.8
149.02390	1.5
151.00368	64.6
151.04018	1.4
152.01151	74.4
153.01860	4.7
163.03972	3.5
167.44980	0.8
177.01918	7.9
191.90569	0.8
197.06039	1.2
225.05533	1.6
235.06097	0.9
242.05843	75.8
243.06589	100.0
244.06892	6.3
273.54077	0.9
285.07648	3.1
309.77005	0.7
333.69739	0.8
339.07166	3.4
386.94821	0.8
387.10812	2.1
447.12936	37.9
448.13464	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	447.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19099	0.1
59.01371	1.9
65.00317	0.6
70.97504	0.3
71.01374	0.2
72.39171	0.2
73.93956	0.2
79.73351	0.1
80.02679	0.4
81.03440	0.3
89.15302	0.2
89.36531	0.2
91.01888	13.2
92.02226	0.5
93.03440	1.5
95.01382	0.8
95.55495	0.2
107.01357	0.3
107.05018	0.5
108.02164	18.0
109.02969	3.8
111.00882	0.2
121.02930	0.8
123.00001	0.3
123.00875	5.8
124.01655	0.8
135.00876	13.9
136.01222	0.3
137.02432	6.3
138.02785	0.2
142.28583	0.2
149.02419	0.4
152.01138	18.2
153.01555	0.6
169.06552	0.4
177.01915	0.3
197.06073	1.5
199.07507	0.4
208.27594	0.2
213.05502	1.2
215.07086	0.8
218.14671	0.2
225.05583	0.3
241.04982	0.5
243.06586	100.0
244.06927	6.5
275.80341	0.2
285.20627	0.2
330.39307	0.1
387.10782	1.1
405.12051	0.3
447.12869	4.7
447.26056	0.5
448.13431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31259	0.3
59.01379	3.9
61.98820	1.1
62.96398	0.9
64.32551	0.2
69.28591	1.7
71.01370	1.1
78.95899	35.3
85.02952	1.0
88.03195	0.2
88.72184	0.3
89.02433	0.7
96.96941	2.3
101.02435	0.9
113.02462	0.4
119.03513	0.3
142.17604	0.2
149.00081	17.7
158.91370	0.3
158.92499	1.4
179.01161	2.4
190.34270	0.2
205.15950	1.9
240.96672	0.3
262.34982	0.2
267.11526	0.3
267.19708	0.4
285.20618	1.8
300.02515	0.3
339.21521	0.3
347.08209	0.5
350.21918	0.3
417.12628	0.6
431.10303	2.2
447.13397	100.0
447.25943	7.9
448.13745	9.8
448.26025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92348	0.2
55.12098	0.2
59.01368	0.6
60.30595	0.2
62.96395	1.0
64.96767	0.2
71.38863	0.3
71.39204	0.3
78.95898	36.0
96.96962	2.4
103.94446	0.2
122.52382	0.2
123.26152	0.2
149.00079	17.4
150.00432	0.4
158.92511	1.7
179.01143	2.9
205.15919	1.2
240.96655	0.3
267.11609	0.5
347.08234	0.6
389.22693	0.3
417.12347	0.7
431.10156	2.9
447.13373	100.0
448.13718	9.0
452.86896	0.2
464.09866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22486	0.3
58.84206	0.3
59.01376	2.0
69.36108	2.4
72.99310	6.4
75.00870	3.1
89.02418	0.5
94.27570	0.3
97.25670	0.3
98.20602	0.6
103.00367	1.7
104.03562	0.7
105.01931	100.0
106.02245	1.6
136.18462	0.3
149.04543	0.3
181.67162	0.3
195.40907	0.3
298.12549	0.3
391.99814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24995	0.4
59.01376	100.0
60.01703	1.1
61.98816	0.4
69.74311	1.9
71.01379	7.7
85.02962	0.8
89.02441	14.8
101.02446	3.8
113.02435	3.7
119.03481	6.2
124.68307	0.4
125.02444	0.5
131.03505	0.8
143.03432	1.9
156.62354	0.4
161.04518	2.5
165.08817	0.4
179.05606	12.4
228.29283	0.4
262.66074	0.4
280.69443	0.4
447.22385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91270	0.5
59.01376	100.0
60.01701	0.6
61.98827	13.8
69.62439	2.6
69.62765	0.5
71.01374	3.0
71.03487	0.4
72.89965	0.4
73.02930	0.8
83.01358	0.5
85.02941	1.0
87.00888	0.5
89.02428	2.6
101.02445	2.3
113.02431	1.5
119.03515	0.7
123.08172	1.8
157.83339	0.4
159.03029	0.7
161.04518	3.2
163.11331	1.3
179.05644	1.6
189.12872	2.4
207.13905	5.1
207.55341	0.5
225.14880	1.0
378.56625	0.5
379.06500	0.4
387.20059	2.6
447.22354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51203	0.5
59.01377	100.0
60.01717	1.0
61.98828	22.3
64.68521	0.5
65.56336	0.5
69.42997	3.4
71.01379	6.2
71.01737	0.7
73.02934	0.6
85.02965	1.9
89.02440	9.2
89.02951	0.7
98.19939	1.0
101.02438	4.1
102.39740	0.6
112.03659	0.5
113.02460	3.3
119.03476	3.5
120.96127	0.5
131.45480	0.5
143.03510	0.9
161.04550	3.7
179.05629	3.0
189.12924	1.4
207.13985	0.5
387.20163	5.3
410.66528	0.5
447.22635	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2231
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01875	1.8
55.60912	0.6
57.03444	1.1
58.00605	0.6
59.01376	100.0
60.01719	1.2
61.98838	0.7
69.31211	1.5
69.31618	2.7
69.47327	0.5
71.01376	26.6
71.78287	0.5
72.99310	0.9
73.02938	10.4
75.00877	0.8
83.01383	3.6
85.02946	11.3
87.00881	1.1
89.02434	8.2
89.02934	0.6
95.01400	1.8
97.02938	0.9
99.00877	4.8
101.02435	17.7
113.02435	10.3
119.03496	1.6
125.02467	1.6
131.03514	0.9
143.03491	1.1
147.04517	1.9
149.04547	1.3
159.02948	3.0
161.04546	12.4
161.05872	0.8
165.12851	1.1
175.53091	0.6
180.45326	0.5
220.28027	0.5
233.06635	0.9
294.29126	0.5
312.10046	1.8
315.18091	8.9
315.35675	0.6
316.18359	1.0
327.12411	2.2
327.18127	2.7
345.19165	9.0
346.19516	0.7
357.13431	2.9
387.20142	6.0
447.22293	30.6
448.22998	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	447.2231
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
52.88005	0.3
55.01878	1.9
56.57461	0.3
56.99834	0.3
57.03443	1.5
58.00590	3.5
59.01373	92.7
60.01716	0.8
61.21094	0.3
69.03461	0.9
71.01376	68.8
72.01727	0.6
72.99300	3.9
73.02939	18.5
73.76314	0.2
75.00859	0.6
79.01890	0.4
80.84904	0.3
81.03442	0.5
83.01379	3.2
85.02945	9.3
85.32890	0.3
87.00900	2.2
89.02436	100.0
90.02769	1.4
95.01373	2.6
97.02942	1.7
99.00872	25.0
99.04521	0.6
100.01173	0.3
101.02432	44.8
102.02758	0.7
113.02439	17.5
115.04006	1.1
116.48087	0.3
119.03486	16.9
125.02442	4.8
131.03490	19.2
132.03824	0.3
138.99300	0.3
143.03487	3.6
147.04048	0.3
149.04538	57.0
150.04893	1.4
161.04546	5.4
179.05597	6.6
191.05583	14.5
193.53535	0.3
199.13387	0.7
212.86211	0.3
221.06589	2.0
233.06593	1.6
251.07672	3.8
252.97971	0.3
275.07730	0.4
293.08722	0.9
298.65717	0.3
315.17999	0.7
315.87506	0.3
387.20258	0.5
403.30429	0.5
405.21167	1.0
447.22281	41.5
448.22656	4.0
467.61349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2597
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
55.01867	0.8
57.03444	0.6
58.00585	1.0
59.01377	24.3
61.98827	1.8
71.00330	0.9
71.01376	12.1
72.99297	2.6
73.02942	1.8
83.01380	1.1
83.05019	2.3
85.02932	3.2
87.00878	1.4
89.02444	9.7
93.03429	0.6
95.01370	1.3
99.00787	0.5
99.98973	0.4
101.02438	9.0
108.05791	0.5
111.04523	3.9
113.02455	3.9
119.03475	3.7
155.14432	0.9
203.18169	0.6
205.19638	2.7
205.65685	0.4
209.19012	0.8
221.19086	12.2
222.19365	0.8
239.20049	0.5
249.18564	1.7
267.19635	1.3
281.21240	0.7
285.20685	27.6
286.21164	2.0
300.02893	0.6
327.21793	1.1
447.25949	100.0
448.26331	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	447.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03440	1.1
58.00581	0.9
59.01376	29.1
61.98811	1.2
71.01379	13.3
71.05015	0.5
72.99300	1.6
73.02937	1.5
78.43314	0.3
83.01379	1.3
84.02124	0.4
85.02954	3.0
87.00877	1.5
89.02437	10.5
91.01888	3.3
94.52267	0.4
95.01386	0.9
95.64801	0.4
101.02438	8.2
108.02181	3.9
109.02943	0.7
110.35580	0.3
113.02434	5.2
119.03497	4.4
119.47580	0.3
123.00838	0.6
129.01895	0.4
135.00876	2.8
137.02411	1.3
151.75984	0.4
152.01108	4.2
161.04643	0.5
181.16017	1.4
209.19156	0.4
219.17491	0.3
221.19110	0.8
229.12863	0.5
239.20140	2.9
241.13443	1.0
243.06598	22.8
244.06940	1.5
267.19589	1.4
269.21268	0.7
281.21115	0.5
285.12381	1.2
285.20700	32.0
286.21106	2.1
299.36935	0.4
301.03384	0.4
309.21353	0.4
327.21817	0.6
359.28159	0.5
365.03644	0.5
447.25952	100.0
448.26257	9.6
458.12390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2594
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
53.91174	0.3
54.49544	0.4
55.01872	0.7
57.03430	1.0
58.00581	1.0
59.01377	28.8
61.98811	0.8
69.59270	0.9
69.59684	1.3
71.01379	12.6
71.05012	0.5
72.99303	0.9
73.02941	1.6
73.87540	0.3
83.01381	1.4
84.02190	0.4
85.02951	3.6
87.00874	1.1
89.02439	11.7
91.01868	0.5
95.01385	1.1
98.20634	0.5
99.00858	0.4
101.02442	9.0
107.77016	0.3
108.02181	0.6
113.02437	4.7
119.03511	4.1
123.60606	0.3
135.00891	0.7
137.02376	0.3
143.03429	0.4
152.01181	0.5
153.70380	0.4
161.04613	0.5
179.05571	0.5
181.15953	2.1
202.11655	0.3
221.19072	1.1
239.20155	2.9
242.09335	0.3
243.06622	3.3
253.21729	0.4
267.19614	1.5
269.21091	0.9
281.21118	0.6
285.20679	31.3
286.21066	2.6
327.21744	0.8
372.91135	0.4
447.25943	100.0
448.26324	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	448.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	45.7
60.01711	2.1
61.98826	100.0
71.01374	8.7
72.99322	1.0
73.02939	5.6
83.01396	1.7
85.02955	2.3
87.00886	0.9
89.02445	8.6
101.02435	8.4
108.53394	0.7
113.02439	4.7
113.64636	0.7
119.03522	2.4
119.05033	5.5
135.04546	2.1
149.04594	1.3
154.01456	16.0
161.04565	3.2
179.05627	2.3
195.06517	0.7
200.16327	0.7
261.36130	0.7
274.58636	0.6
275.57257	0.7
281.10312	8.5
282.10760	0.9
299.11407	2.4
341.12433	6.4
342.12686	1.0
388.20895	1.2
448.10910	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	448.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.4
60.01719	0.4
61.98826	100.0
69.60815	0.9
69.61230	0.5
84.16933	0.2
94.07538	0.2
104.31306	0.2
124.04521	0.2
164.45386	0.2
278.59732	0.2
359.52423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43535	0.6
51.62413	0.5
57.03428	0.6
59.01371	7.8
60.99303	2.1
61.98822	1.9
67.01883	5.5
69.03447	1.7
69.23975	5.3
71.01371	2.9
72.99272	0.6
81.03445	1.3
83.01386	0.6
83.05020	0.9
85.02956	1.7
87.00873	7.4
89.02439	0.6
93.03452	34.6
94.03777	1.5
99.00883	0.9
99.04510	0.7
107.05030	0.6
107.41576	0.5
108.02174	2.5
109.02985	1.5
111.00890	0.7
111.04509	4.4
113.02412	1.1
121.02960	3.4
122.03741	1.8
124.01655	7.6
125.02447	4.4
126.03197	1.7
127.70873	0.5
129.01924	1.2
132.02132	0.8
133.02931	4.8
134.03738	16.6
135.04514	100.0
136.04959	2.3
137.02434	3.1
150.03201	4.1
151.04002	14.2
155.03432	0.8
157.06892	0.6
160.01669	1.8
161.02451	2.8
162.03238	1.2
173.04533	14.5
177.01941	1.5
178.02679	1.3
179.01892	1.1
179.03479	22.6
180.04243	3.8
191.05588	18.8
194.02216	0.8
200.04718	0.8
215.05620	0.8
257.08130	2.4
275.09219	2.7
290.07919	2.5
306.07690	1.0
307.08231	7.6
308.08969	28.5
309.09399	1.6
323.07678	1.0
351.07077	1.4
352.03534	1.1
352.07938	21.2
353.08289	2.0
449.14478	16.5
450.14728	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28184	0.2
55.35952	0.2
57.03424	0.3
59.01376	5.2
61.37285	0.2
61.83212	0.2
61.98825	2.0
65.00313	0.2
67.01861	0.7
69.03455	0.3
71.01371	1.8
71.53539	0.2
72.99289	0.2
73.02905	0.7
73.03264	0.2
75.00851	0.2
81.03445	0.2
83.01360	0.3
83.05002	0.5
85.02946	8.4
85.03464	0.4
86.03258	0.2
87.00874	2.2
89.02432	0.5
93.03455	5.1
99.04464	0.4
101.02427	1.0
101.57076	0.2
107.01372	0.3
109.02937	0.8
110.12187	0.2
111.00847	0.3
111.04505	1.2
113.02418	0.4
119.03505	0.2
119.04887	0.2
123.04481	0.6
125.02389	0.2
125.97500	0.2
127.04012	2.4
135.04517	1.6
137.02412	0.4
143.03415	0.3
145.02925	0.2
151.00357	1.8
155.03491	0.4
159.04507	0.2
161.02409	0.2
161.04533	0.3
165.01894	0.2
167.03488	1.1
171.02988	0.7
172.05260	1.5
173.04527	2.7
173.05981	0.2
179.03543	0.2
183.04474	0.6
185.11794	0.5
187.07626	11.4
188.07935	0.6
191.05594	100.0
192.05934	3.7
195.03027	0.2
199.04030	1.3
199.13271	0.2
200.04744	0.6
201.05644	0.2
204.04205	0.3
209.04518	0.3
211.03975	0.3
211.07730	0.2
213.09238	1.3
214.06377	0.2
215.07100	2.1
216.07442	0.2
223.06039	0.3
227.03455	1.8
228.04269	1.7
229.08670	0.4
231.10310	0.9
257.08167	13.5
258.08539	1.1
275.09256	1.2
287.05646	1.5
389.21832	0.3
449.14706	6.6
449.19739	0.4
450.15060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
59.01376	4.6
60.99287	0.3
61.98827	1.8
65.30819	0.2
67.01875	0.4
69.03454	0.3
69.40720	0.7
69.41142	0.8
71.01373	1.2
73.02933	0.4
81.03422	0.2
83.05041	0.3
85.02941	9.7
87.00855	2.1
92.25559	0.2
93.03450	4.1
94.02064	0.2
95.01364	0.2
98.20601	0.4
99.04472	0.5
101.02422	0.3
109.02939	0.8
111.04516	1.3
113.02439	0.3
116.92838	0.4
117.03461	0.3
127.03985	2.2
136.55084	0.2
140.78163	0.2
145.02899	0.8
153.02026	0.2
155.03401	0.3
163.03987	0.2
171.02943	0.6
172.05325	1.6
173.04533	2.1
175.68585	0.2
183.04489	0.6
185.11812	1.6
187.07625	10.3
188.07959	0.4
191.05588	100.0
192.05928	3.1
199.03925	1.2
200.04759	0.6
202.06322	0.3
204.04337	0.3
211.03973	0.3
211.07712	0.2
213.09230	1.0
215.07097	2.4
216.07283	0.3
227.03461	1.7
228.04147	1.5
229.08609	0.6
231.10181	1.0
257.08160	14.2
258.08484	0.8
275.09140	1.1
449.14172	5.7
450.14777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1449
Annotation	TERNSTROSIDE B
Peak:m/z	Relative Intensity
55.01878	1.2
57.01204	0.9
57.03447	1.2
58.00582	4.0
58.43484	0.9
59.01376	100.0
60.01731	1.4
60.44308	0.9
61.98823	31.5
66.67144	0.8
67.01893	1.1
69.29778	4.8
69.30203	2.9
71.01376	35.6
71.18750	0.9
72.19244	0.9
72.99308	2.7
73.02943	8.0
75.00878	1.0
83.01378	3.3
85.02939	12.5
87.00894	4.4
89.02437	27.9
93.03454	6.7
95.01389	3.4
95.04993	1.1
98.20677	2.0
99.00875	3.8
101.02434	25.9
102.02769	1.1
106.04237	12.1
107.05028	7.5
108.02170	42.6
113.02445	16.9
119.03495	14.6
119.04959	4.7
121.02955	2.7
123.04514	12.8
125.02428	2.2
131.03513	1.2
131.04993	2.0
132.02158	1.3
133.02945	37.4
134.03683	2.1
135.04521	19.2
136.04863	1.7
137.02402	1.7
138.43332	1.0
143.03471	2.4
145.02924	5.1
147.04526	7.4
150.20691	0.9
150.40405	0.9
151.03999	21.0
153.05560	3.9
159.02986	2.8
161.04532	13.6
161.06053	6.3
163.04063	1.2
165.05554	29.0
166.05928	1.4
173.04596	1.3
175.03981	92.3
176.04305	4.7
179.05597	5.6
187.07718	1.7
191.05586	25.0
193.05028	53.4
194.05385	2.0
205.05064	10.4
219.07935	0.9
223.06133	9.5
235.06065	3.8
248.12759	1.0
253.07138	15.6
254.07664	1.0
257.08148	2.9
297.09875	1.6
298.71677	1.0
315.10785	25.7
315.14233	1.5
316.11032	1.7
389.21805	39.6
390.22141	2.5
405.11890	1.7
405.17477	1.1
413.14447	2.6
449.14764	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	449.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72036	0.2
55.39482	0.2
57.03413	0.3
58.07530	0.2
59.01375	8.1
61.98832	2.8
63.25817	0.3
67.01876	0.7
69.03429	0.3
69.49482	1.4
71.01380	2.8
72.99290	0.3
73.02943	0.3
81.03465	0.3
81.52547	0.3
83.05000	0.3
85.02947	9.7
86.03321	0.2
87.00885	1.9
88.98795	0.9
89.02457	0.7
93.03462	3.5
99.04514	1.2
101.02441	0.9
106.67904	0.3
109.02932	0.7
111.04508	1.1
113.02417	0.7
117.27615	0.3
119.03494	0.3
127.03989	2.1
130.90858	0.2
131.38710	0.3
155.03464	0.3
165.12859	0.3
171.03027	0.4
172.05299	1.1
173.04556	2.1
183.04453	0.4
187.07631	7.4
188.07858	0.4
191.05598	100.0
192.05930	2.8
199.03979	1.0
200.04657	0.5
204.04449	0.3
207.13876	0.4
209.11783	1.6
211.07538	0.3
213.09206	1.0
215.07129	1.7
225.14944	0.6
227.03458	1.2
228.04195	0.9
229.08702	0.7
231.10266	0.8
251.12820	0.4
257.08167	10.8
258.08514	0.7
269.13904	6.3
275.09326	0.7
325.24612	0.3
333.19473	0.4
431.92719	0.2
440.31387	0.2
449.14420	1.5
449.20294	4.4
450.20483	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1497
Annotation	Suvorexant
Peak:m/z	Relative Intensity
54.95258	0.6
59.01373	3.2
61.98823	3.4
62.60423	0.5
62.96407	24.0
68.35876	0.5
68.92516	0.5
71.01374	1.4
74.11877	0.4
78.95901	57.3
80.97464	29.7
84.59701	0.5
85.58924	0.5
86.15121	0.6
93.03417	0.8
97.40527	0.5
101.02419	0.7
144.24353	0.5
149.00085	13.0
173.04475	0.7
179.01089	1.5
191.05658	0.7
193.65437	0.6
205.15929	7.5
242.98248	5.6
285.12476	1.9
287.20264	0.8
355.16776	16.1
356.17114	1.5
385.17816	21.4
386.18237	2.0
448.26147	1.5
449.14944	100.0
449.25989	3.2
450.15231	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.99309	0.6
61.98828	1.3
63.43956	0.6
65.03968	0.7
69.36543	4.9
71.01393	2.3
72.99316	1.2
73.88689	0.6
85.02944	1.5
87.00877	0.9
88.98804	7.5
89.02448	4.2
96.96019	1.6
101.02454	2.4
113.02454	1.8
115.00402	0.6
116.92844	0.8
118.98112	2.6
119.03509	0.6
120.97669	1.3
120.99657	1.6
133.01347	0.6
137.02432	2.0
153.05643	0.9
165.05623	0.9
179.03474	12.1
179.05083	0.9
179.05690	0.9
180.03925	1.0
194.05818	13.1
209.08168	14.5
209.10054	1.0
227.09222	12.1
228.09512	0.8
281.37021	0.6
319.57187	0.6
326.50363	0.6
333.11880	1.3
413.06018	0.6
449.12082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37646	1.4
58.77199	1.4
59.01377	49.7
60.81612	1.5
61.98825	10.3
67.01868	3.2
71.01373	8.3
71.52456	3.2
73.02927	2.1
76.59837	1.4
85.02952	5.0
87.00880	5.9
89.02449	4.1
89.61232	1.2
93.03450	27.3
97.06570	1.7
101.02431	4.0
108.04568	2.9
109.02883	2.2
111.04533	4.3
113.02435	2.5
114.02787	1.5
119.03459	1.9
121.02935	3.4
122.03756	5.9
123.00939	1.8
124.07654	2.7
133.03024	3.0
134.03731	3.7
135.04515	6.1
136.01695	1.9
136.07678	8.0
147.04514	6.5
148.05310	3.9
148.10365	1.7
149.02451	2.8
151.03958	3.9
158.03711	4.8
159.04482	5.6
160.01686	2.1
160.05293	19.7
161.02460	3.4
161.06029	2.5
162.03128	1.5
163.03989	3.2
163.07648	2.8
164.04765	4.3
169.12323	5.9
173.04538	17.0
173.06071	7.1
175.07628	20.1
177.05566	10.0
178.06357	16.4
179.03546	1.8
179.06888	1.8
187.07605	2.0
189.05524	2.3
190.06317	2.9
191.05602	46.1
192.05818	1.5
193.08621	9.1
231.10316	2.7
257.08319	3.4
257.12912	23.8
275.09280	3.4
301.11877	12.5
305.96494	1.5
314.11475	2.8
344.12543	2.1
359.14969	100.0
360.15329	7.9
389.16125	2.3
389.21524	3.1
449.14542	14.2
449.20401	5.2
449.27533	2.6
450.14899	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	449.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.6
57.34633	0.6
58.00589	0.9
59.01376	56.4
60.01704	0.9
61.98827	18.5
65.00311	3.3
69.03449	0.6
69.40423	4.3
71.01380	11.8
72.99304	1.0
73.02923	1.0
83.01376	2.7
85.02946	9.5
87.00873	3.0
89.02438	9.4
90.18812	0.7
93.03443	4.5
95.01405	0.8
98.20757	0.6
99.04519	5.0
101.02435	5.5
107.01386	5.8
109.02950	1.0
111.04527	1.2
113.02431	4.1
119.03490	4.0
123.04517	1.9
124.01677	0.7
125.02415	4.6
126.43232	0.7
127.04008	2.0
133.02924	1.0
135.04482	0.9
143.03322	0.7
150.03200	4.0
151.00363	21.4
151.03979	4.2
152.01160	3.0
161.04544	1.4
165.12804	3.3
171.02998	0.7
172.05222	1.0
173.04544	4.0
175.03908	0.9
178.99835	4.4
179.05614	1.5
187.07637	8.9
191.05592	100.0
192.05952	2.9
199.04042	1.1
207.13889	6.0
209.11807	16.6
210.12123	1.1
213.09222	1.8
215.07089	2.1
223.13567	0.7
225.14977	3.7
227.03429	1.3
228.04324	0.9
231.10143	2.0
251.12799	3.0
257.04468	0.8
257.05038	0.8
257.08163	12.0
269.13904	58.3
270.14236	3.4
275.09225	2.5
285.03995	12.1
303.05057	5.2
389.21768	2.6
449.10211	1.6
449.14941	2.6
449.20200	44.9
450.20483	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	449.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52610	0.5
59.01377	100.0
60.01711	0.9
61.98829	11.9
67.01897	0.6
71.01382	6.1
71.53378	0.6
73.02959	1.5
75.00881	1.1
83.01395	0.8
85.02946	4.3
87.00896	1.1
89.02425	1.2
90.45838	0.6
92.27456	0.6
93.03441	4.8
95.01326	0.5
99.00909	0.6
101.02467	2.5
111.04505	0.8
111.08195	2.3
113.02466	1.7
129.01874	0.8
130.59290	0.6
135.04546	1.0
137.09763	1.3
141.09222	2.4
147.04619	0.8
155.03539	0.6
157.08556	0.7
159.04527	1.0
161.04514	2.9
172.52258	0.5
173.04524	5.9
175.07680	0.9
178.06425	0.7
179.03473	0.6
184.94930	0.5
185.11819	21.9
186.12198	0.9
187.07607	4.9
191.05611	32.0
192.05997	0.9
198.53481	0.5
202.06499	0.8
203.05637	3.3
213.09334	1.1
231.06619	2.7
231.10356	1.9
257.08188	3.9
269.14041	0.6
275.09268	3.8
347.17319	0.7
359.14850	3.8
389.17810	3.3
449.14713	2.0
449.20187	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.9
58.00583	1.7
59.01377	100.0
61.98830	34.2
64.65657	1.0
64.98141	0.7
65.00319	3.2
67.01881	2.4
71.01381	22.7
71.52744	1.0
72.99309	2.0
73.02940	3.1
77.58567	0.8
83.01383	2.8
85.02945	5.7
87.00880	5.4
89.02435	25.4
93.03455	16.9
95.01393	1.4
99.00854	1.1
101.02433	12.9
107.01396	6.2
109.02957	1.1
111.04501	3.2
113.02450	8.3
119.03489	11.4
125.02443	1.8
131.03510	2.0
133.02922	1.3
135.04521	23.5
143.03476	3.0
145.02917	3.2
149.04501	1.6
151.00354	36.7
153.09224	3.2
155.03511	0.9
161.02397	2.2
161.04509	6.1
163.03957	1.0
167.53665	0.8
171.13872	2.4
173.04552	12.8
179.03479	1.8
179.05576	11.0
180.04202	0.9
185.11807	15.2
186.12151	1.1
187.07668	1.6
191.05600	32.1
199.13385	7.4
200.04726	1.2
209.11844	1.2
209.15407	2.5
213.09097	1.9
218.24901	0.9
223.06189	0.9
225.07700	1.1
227.12874	8.3
231.10298	2.6
257.08170	6.2
257.13809	0.9
269.04404	1.1
273.03021	0.9
275.09137	2.4
287.05600	31.3
288.05856	2.3
300.02625	1.0
302.03311	1.6
343.53049	0.9
389.21820	24.8
390.21991	2.1
440.14978	0.9
449.10144	5.6
449.14523	6.9
449.19647	14.5
449.26096	1.4
450.10580	1.1
450.20508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53313	0.4
59.01379	4.2
61.98828	100.0
67.01888	1.3
68.86378	0.4
69.03434	0.4
69.47169	2.1
69.47572	0.6
71.01392	0.8
84.13868	0.4
85.02994	0.5
87.00890	1.2
93.02862	0.7
93.03447	7.0
94.03798	2.9
111.04536	1.0
133.02960	0.6
134.03694	0.6
135.04533	2.0
136.04884	0.8
147.43047	0.4
172.99626	0.4
173.04553	3.5
174.04927	1.7
174.55173	0.4
191.05627	3.5
192.05960	2.0
204.82195	0.4
272.29971	0.4
276.09671	0.8
308.08902	0.6
419.38480	0.5
450.15002	5.5
451.14597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41244	0.3
50.48847	0.2
51.31252	0.2
59.01371	2.9
61.98825	100.0
62.23730	0.3
67.01890	0.8
71.01392	0.4
87.00895	0.8
88.23280	0.3
93.03455	3.3
94.03812	0.8
98.19938	0.7
111.04504	0.3
135.04576	0.3
162.03258	0.3
162.21671	0.3
173.04529	1.2
174.04901	0.6
191.05675	0.6
192.06020	0.3
234.29608	0.3
268.34695	0.3
449.27502	0.4
450.15045	1.7
450.21292	0.3
450.28033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33237	0.7
50.36836	0.7
55.55903	0.8
57.18592	0.7
59.01376	9.1
60.99306	1.0
61.98825	100.0
67.01895	1.6
71.01385	1.6
73.02972	0.8
76.47028	0.7
85.89140	0.7
87.00883	2.2
93.03442	12.3
93.03945	1.0
94.03778	4.0
98.19846	1.7
100.05147	0.7
101.02423	1.0
105.62141	0.8
111.04556	2.8
113.02446	1.1
134.03755	1.6
135.04491	1.4
162.03220	0.9
169.36670	0.7
173.04503	7.5
174.04909	3.1
191.05556	1.1
218.31168	0.8
234.14355	0.7
314.10254	0.9
340.55286	0.9
342.58194	0.7
450.14743	9.2
450.28036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29252	0.3
59.01370	4.7
61.98825	100.0
63.75632	0.3
67.01881	0.5
67.06383	0.4
68.32307	0.4
71.01389	1.2
71.52325	0.5
78.97880	0.3
84.09558	0.4
85.02931	0.7
85.18537	0.3
87.00859	0.6
89.02466	0.5
93.03437	4.1
94.03793	1.2
98.59176	0.3
100.46365	0.3
107.03799	0.7
111.04537	0.8
113.02454	0.6
122.06112	4.7
123.04530	0.9
131.03740	0.5
132.04561	0.8
133.02965	0.9
135.04478	1.3
136.04825	0.5
152.07164	11.0
158.02516	0.8
161.02411	1.6
162.05643	0.4
167.15128	0.4
173.04515	2.1
174.04965	1.5
179.03412	0.5
186.11125	0.4
187.07677	0.8
190.05090	6.2
191.05588	6.7
192.06001	1.6
222.07674	6.1
229.47491	0.3
231.10464	0.4
232.10686	0.4
258.08539	0.4
276.09637	0.7
355.12872	0.5
359.16211	0.4
387.15567	19.3
388.16174	1.6
450.14648	3.2
453.14810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	27.8
60.01691	0.8
61.98825	100.0
63.99248	0.5
65.48224	0.6
68.52105	0.5
69.55734	3.1
71.01375	5.8
72.99314	0.8
73.02951	1.3
83.01405	0.5
85.02962	1.4
87.00889	0.7
89.02440	5.4
101.02441	5.1
108.02160	2.6
109.02959	0.9
113.02441	2.7
119.03494	2.6
137.02527	0.4
148.11612	0.5
149.04514	0.5
153.01923	1.5
161.04556	1.0
163.11285	11.0
163.12326	0.5
164.11604	0.5
195.02965	2.8
201.57748	0.5
255.05104	4.4
387.16568	46.8
388.16791	4.6
391.19730	0.9
451.12643	2.0
465.80988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.3
61.98826	100.0
69.66982	1.8
71.01382	4.1
72.99325	0.7
73.02946	1.1
81.06513	0.3
83.01391	0.5
85.02969	0.6
89.02446	3.2
90.24710	0.3
95.01404	0.6
98.19876	0.4
101.02434	2.5
110.28516	0.3
113.02428	2.2
119.03500	1.6
121.25956	0.3
143.03418	0.3
161.04543	1.0
163.11298	0.4
165.05566	0.3
187.13474	0.4
190.82130	0.3
207.10303	1.5
225.50879	0.3
321.78452	0.4
331.17654	1.1
349.18713	0.8
387.16589	22.4
388.16858	2.0
391.19727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53449	0.3
59.01372	4.0
60.01702	0.3
61.98825	100.0
63.99254	0.7
69.49406	0.3
69.61005	2.1
100.06235	0.4
101.02428	0.6
105.13811	0.3
444.67319	0.3
457.52844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33183	0.3
57.33997	0.2
59.01368	1.7
61.98826	100.0
69.60829	0.7
69.61233	0.9
76.34002	0.3
85.89809	0.3
114.74554	0.3
150.31094	0.3
191.05653	0.5
192.05965	0.5
196.26270	0.3
232.41983	0.3
451.13696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45631	0.4
59.01375	3.8
61.98827	100.0
62.98518	0.4
63.99250	0.7
69.22287	3.1
88.43702	0.3
88.64759	0.3
113.33750	0.4
122.85495	0.3
124.80595	0.4
166.99306	0.3
234.78400	0.3
240.02078	0.4
350.95993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19508	0.3
59.01379	1.8
61.05883	0.3
61.98825	100.0
69.54421	1.6
86.33350	0.3
87.65911	0.3
89.02455	0.4
97.12312	0.2
98.19913	0.6
117.86189	0.3
127.91450	0.3
140.82744	0.3
169.30428	0.3
212.59857	0.3
227.09352	0.3
387.16486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67022	0.2
59.01376	2.9
61.98816	0.9
71.01382	1.3
71.52107	0.2
78.95863	0.4
79.95724	2.3
81.83966	0.2
85.02955	1.4
86.03329	0.2
87.00877	1.0
89.02432	1.2
93.03450	0.3
96.96003	100.0
97.72705	0.3
99.00906	0.2
101.02431	0.7
111.00822	0.2
111.04529	0.3
113.02425	0.3
113.92628	0.3
119.03519	0.3
127.04020	0.4
128.27618	0.2
128.97740	0.2
130.11948	0.3
133.02933	0.4
134.25824	0.2
135.04527	0.8
150.36574	0.2
161.02396	0.6
166.02625	0.3
173.04596	0.4
179.03470	0.4
187.16824	0.2
191.05594	28.8
192.05965	1.1
216.98094	0.4
238.06236	0.3
251.56065	0.3
253.08725	0.3
260.97089	0.6
303.69424	0.3
353.08759	5.3
354.09186	0.4
387.43866	0.2
389.01767	0.5
398.86322	0.3
451.16022	0.3
474.91751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20485	0.4
59.01376	20.0
60.01691	0.3
61.98826	100.0
62.98528	1.7
62.99255	0.4
63.99258	2.1
68.97370	0.3
71.01373	1.8
72.24889	0.3
72.99302	0.3
73.02928	1.7
77.08742	0.4
82.03030	0.3
83.01392	0.7
85.02950	0.9
87.00846	0.4
89.02454	1.1
99.00861	0.4
101.02404	1.6
113.02465	1.2
119.03489	0.6
125.02316	0.3
131.03535	0.4
149.04576	0.6
161.02434	0.6
161.04570	1.2
179.05659	0.4
198.21385	0.3
242.44699	0.3
249.53911	0.4
271.16135	0.5
331.17493	0.5
349.18674	0.4
389.18155	4.1
391.19611	0.6
440.99750	0.3
451.22342	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17916	11.3
59.01373	79.6
61.98822	70.9
63.59683	11.5
70.86855	11.8
71.01366	44.7
71.52228	16.9
85.02948	21.3
87.94754	9.7
95.99146	10.6
101.02457	11.1
105.27734	10.5
143.41113	10.4
145.02946	17.6
161.02521	12.0
191.05598	100.0
192.05913	55.8
193.06006	56.3
254.35736	11.5
259.08994	15.2
335.20914	13.2
386.27808	14.0
451.15598	24.8
451.20740	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
60.29053	0.3
60.95513	0.3
61.98824	100.0
65.03963	0.8
71.05326	0.7
78.84251	0.3
82.22100	0.3
90.77668	0.3
109.65078	0.3
121.06574	0.5
130.91025	0.3
139.04018	1.2
165.05571	0.5
183.06631	0.7
214.09439	0.3
261.69754	0.3
345.12042	1.0
389.10773	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	452.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91465	0.2
59.01375	4.0
59.17865	0.2
60.01726	0.2
61.98825	100.0
62.98559	0.3
64.69707	0.2
69.32655	1.2
69.33065	0.3
71.01368	0.7
72.99274	0.2
73.02929	0.3
79.11987	0.2
85.02943	0.3
89.02449	0.4
101.02455	0.6
103.98972	0.2
113.02420	0.3
114.17590	0.2
134.03697	0.3
149.72774	0.2
173.70625	0.2
184.42310	0.2
186.13531	0.2
330.14999	0.3
339.69397	0.2
389.16190	0.7
453.18021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.3
61.98825	100.0
62.76329	0.3
71.01392	0.7
71.47394	0.4
73.02950	0.3
85.02930	0.3
89.02422	0.4
101.02447	0.5
124.51806	0.2
149.86833	0.3
161.02383	0.3
267.57513	0.3
332.24524	0.3
333.19415	0.6
436.90723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2779
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
61.98820	0.2
62.96393	0.3
69.04084	0.2
71.43504	0.4
71.73863	0.2
78.95901	16.7
91.98806	0.2
98.91573	0.2
122.00114	0.9
122.98502	0.3
140.01180	4.5
152.99594	1.3
196.03781	9.1
200.97354	0.2
203.93269	0.2
214.04779	1.8
237.21985	0.3
255.23274	100.0
256.23654	7.1
271.74564	0.2
335.59622	0.2
340.03577	0.2
422.62476	0.3
452.27798	32.5
453.28088	2.8
465.33151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	30.1
61.98829	14.0
66.70213	0.8
69.97301	0.8
70.25967	0.9
70.26319	3.0
71.01380	14.5
72.99306	1.2
73.02937	2.6
73.09315	0.7
74.90984	0.7
83.01394	2.1
85.02956	5.1
87.00835	1.2
89.02438	16.3
95.01398	1.1
101.02443	15.2
102.83596	0.8
112.23165	1.1
113.02448	7.1
114.66401	0.8
116.20328	0.8
117.03465	11.7
119.03548	6.3
119.05024	21.9
127.04008	10.9
129.29774	0.8
133.06543	2.7
135.04553	1.0
145.02948	52.0
146.03325	2.3
149.04578	1.1
161.02431	1.0
161.04706	1.4
161.06047	5.9
163.04001	20.2
170.10300	0.9
177.05530	2.2
205.05009	5.0
231.10345	1.3
235.06042	2.0
242.08707	0.8
265.07123	2.2
307.10315	100.0
308.10736	4.9
308.87137	0.9
409.15085	4.0
410.34814	0.8
453.13922	53.0
454.14264	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	453.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
57.03444	0.8
58.00585	1.6
59.01378	98.1
61.98823	7.2
69.03454	2.5
71.01379	49.9
71.27054	0.7
71.53326	1.2
71.53684	0.8
72.01744	0.8
72.99303	2.7
73.02944	56.2
75.00867	1.0
81.03482	1.0
83.01385	14.6
85.02948	7.3
87.00886	2.6
89.02443	20.4
93.62167	0.7
95.01406	2.4
97.02919	1.3
99.00888	3.2
101.02441	41.6
102.02779	1.0
113.02438	14.6
119.03508	6.7
125.02428	0.8
131.03499	2.3
133.02943	2.5
134.03773	1.6
143.03455	1.0
145.02975	1.2
146.03717	2.3
147.04543	2.1
149.04510	0.9
158.03748	3.4
159.04515	5.8
159.08214	1.0
161.02423	2.7
161.04581	3.7
161.05775	0.7
172.05307	5.0
173.06061	13.3
174.03258	1.1
174.06732	2.1
175.03979	1.3
175.07648	1.0
177.05594	0.8
179.03508	1.5
179.05554	0.8
187.04057	6.6
187.07637	48.6
188.04549	0.7
188.08028	2.6
201.05548	13.4
201.09222	1.7
202.06345	70.1
203.06853	4.6
203.10759	2.4
204.04190	0.7
204.07936	0.9
213.09164	1.8
216.07883	5.6
219.10335	1.5
220.07343	1.3
225.27513	0.7
231.10239	80.1
232.10583	5.8
249.11342	2.5
307.10327	2.6
321.19104	1.0
333.13467	0.9
345.71957	0.8
351.19415	0.9
393.15533	28.1
393.20752	1.6
394.15674	1.4
404.95465	0.7
405.11942	0.9
411.16574	100.0
412.16901	9.3
431.59402	0.7
434.64865	0.8
453.17673	94.4
454.18094	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	453.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.4
56.05189	1.4
56.39424	1.7
57.03431	4.3
58.00591	3.7
59.01374	99.0
61.98825	27.9
69.14274	14.4
71.01377	73.5
72.35677	1.5
72.99317	3.2
73.02943	15.0
75.00873	1.6
77.03962	3.6
83.01386	9.5
85.02937	28.1
86.03277	1.6
87.00887	4.4
89.02440	57.1
90.02798	1.8
93.03461	3.5
95.01382	6.7
95.05031	12.1
95.37656	1.9
95.60428	1.6
96.96017	6.0
99.00865	7.3
101.02434	52.1
105.03456	3.4
106.04229	4.5
107.05022	16.8
108.02159	2.0
109.06544	1.5
111.04516	2.8
113.02441	33.1
119.03500	14.9
119.05010	4.9
121.02938	4.3
123.04512	97.0
124.04834	2.8
125.02410	3.0
131.03511	7.4
133.02951	86.7
134.03249	2.7
139.07712	1.9
143.03462	2.4
145.02995	1.9
149.02504	1.9
149.04543	19.5
151.03990	95.2
152.04341	4.5
157.08662	16.8
159.02982	3.0
161.04553	26.8
165.05424	2.1
172.88835	1.5
175.03986	5.6
179.05620	3.8
191.05647	5.1
193.05054	3.2
208.20421	1.7
253.07205	3.0
261.13507	3.1
281.10287	16.7
307.10291	4.1
319.13934	100.0
320.14438	7.7
333.19122	2.7
341.12323	2.7
393.17505	16.6
393.21448	1.7
453.17709	83.9
454.18301	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	453.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	3.9
59.01375	100.0
61.98824	2.2
64.82304	0.9
68.06667	1.0
69.59419	2.3
69.59823	4.9
71.01379	57.2
72.99309	1.9
73.02941	9.8
77.61810	0.9
83.01366	2.2
85.02937	11.3
87.00842	2.7
89.02439	96.7
90.02775	1.8
95.01364	2.3
97.02961	1.2
98.20677	1.0
99.00874	7.8
101.02435	34.4
104.20685	1.0
109.39307	1.1
109.50009	1.0
113.02444	17.3
119.03491	19.1
125.02396	1.7
131.03506	16.9
135.23238	1.1
139.49953	1.0
143.03481	3.6
149.04541	48.2
150.04793	1.3
161.04578	4.1
178.10403	0.9
179.05585	20.7
181.08066	1.0
191.05609	7.2
199.51764	0.9
221.06564	1.4
251.07652	2.6
261.13391	10.4
293.08569	1.3
351.20206	1.7
375.17050	1.1
393.17593	72.2
394.17905	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	453.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29803	1.4
55.01862	3.2
57.03428	3.1
57.47635	1.3
59.01376	100.0
60.01723	1.8
61.98825	21.5
67.96786	1.2
71.01373	37.4
71.10926	3.4
72.99294	1.2
73.02936	14.8
75.00848	1.5
83.01385	9.4
85.02457	2.1
85.02945	28.7
86.00096	1.2
87.00863	3.3
87.73029	1.4
89.02433	9.1
95.01387	2.5
95.39720	1.2
99.00871	6.4
101.02430	41.2
102.98589	1.5
107.89874	1.2
110.69169	1.2
113.02442	19.6
119.03506	1.7
119.54632	1.2
125.02443	1.9
129.01988	1.4
155.10815	6.6
159.02928	4.2
161.02419	1.9
161.04530	14.4
164.93895	1.2
171.10292	3.0
179.03447	1.6
187.13435	1.3
191.05692	2.3
203.10931	1.6
217.10753	3.6
261.13388	64.0
262.13779	3.5
291.14441	2.2
333.19125	5.6
349.18784	5.8
357.18903	2.2
361.15240	1.6
390.18433	2.6
393.17596	66.6
394.17795	3.6
417.21286	2.3
453.18207	8.0
453.24194	50.8
454.23749	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	453.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63612	1.8
58.00576	2.4
59.01378	100.0
61.37909	2.0
61.98834	19.7
69.40544	12.6
69.40957	3.8
71.01376	40.7
72.99281	2.5
73.02933	6.5
75.65491	2.0
83.01393	2.7
85.02945	9.7
89.02439	57.0
99.00857	2.6
101.02436	23.8
113.02482	12.6
117.03410	3.6
119.03510	11.4
119.05000	2.3
125.02407	2.4
128.20486	2.2
131.03542	9.9
145.02902	9.1
149.04552	24.4
161.02437	2.6
161.04500	6.5
163.03987	3.6
179.05603	12.8
191.05548	4.1
261.13382	8.5
305.24954	2.1
307.10278	6.4
333.19247	7.8
393.17526	29.2
394.17697	5.0
453.13531	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	453.2128
Annotation	[3aR-[3aalpha,5(S*),7aalpha]]-5-[4-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-1-methylbutyl]-3a,4,7,7a-tetrahydro-6-methyl-3-methylene-2(3H)-benzofuranone
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	0.9
60.03967	0.3
61.98829	2.0
70.99453	0.5
71.01392	1.1
72.39931	0.3
73.02955	0.4
89.02435	0.3
90.18659	0.3
101.02444	0.7
113.02479	0.4
146.48907	0.3
162.86343	0.3
189.19112	0.3
249.14815	0.4
458.49493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19486	0.4
57.49335	0.4
57.69070	0.3
71.43650	0.7
80.62070	0.4
311.11462	0.4
416.15744	1.0
453.33704	100.0
454.34030	13.1
454.40372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41955	0.8
61.98834	2.2
62.61566	0.8
69.35405	6.8
98.19856	1.7
133.02963	2.4
134.03777	1.6
135.04549	2.0
159.04471	1.4
161.02422	9.3
162.02780	1.1
179.03450	2.3
226.15244	1.1
407.15167	5.1
407.65128	1.1
416.15820	7.1
416.65729	1.8
441.33640	2.9
453.33743	100.0
454.34143	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	454.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
61.98824	100.0
71.52995	0.5
74.64696	0.4
74.85737	0.4
78.57089	0.4
85.12318	0.4
100.69595	0.4
134.83687	0.4
148.39838	0.4
176.93579	0.4
233.12157	0.4
358.34833	0.5
358.76096	0.4
398.95465	0.5
454.34283	1.3
455.35367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68228	0.3
53.84354	0.3
59.01373	1.0
61.98825	100.0
71.30060	0.3
79.75713	0.3
85.51537	0.4
98.20671	0.7
118.71770	0.3
125.46159	0.3
127.75506	0.3
137.24214	0.4
161.09009	0.3
176.34291	0.3
177.56514	0.3
183.24164	0.3
393.02271	0.3
455.26556	0.6
455.35532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03447	0.8
59.01376	10.8
61.98817	0.8
68.99791	0.5
69.16611	3.0
71.01372	6.9
71.09242	0.3
72.99273	0.7
73.02948	1.8
81.03460	1.0
83.01373	1.2
85.02945	3.9
87.00864	1.6
88.98826	0.4
89.02428	3.7
91.01911	0.7
93.03452	4.9
95.01380	1.3
99.00863	0.6
101.02447	6.2
103.48376	0.4
107.01391	2.6
107.05002	0.6
108.02159	1.0
109.02944	25.0
109.06577	0.7
110.03267	0.9
111.00889	1.6
111.04504	1.6
113.02440	4.1
119.03486	1.5
119.05032	0.4
123.00860	2.3
124.01635	1.3
125.02439	1.0
129.01927	0.5
133.02943	1.4
135.00902	1.7
135.04526	0.9
136.01649	1.3
137.02440	13.8
139.07625	0.6
145.02939	0.6
151.03993	1.4
152.01181	2.4
153.01926	48.2
154.02272	1.5
157.08702	2.3
157.09825	0.4
159.02991	1.0
161.02449	4.1
161.04538	0.4
163.04010	1.0
165.05478	0.5
179.03508	5.7
180.04002	0.5
191.05443	0.4
193.04915	0.5
195.02966	4.4
209.04633	0.8
237.03932	0.7
239.05560	2.9
255.05026	3.9
288.85309	0.4
293.08728	5.0
293.14612	0.4
297.06140	1.2
299.07892	0.5
320.24951	0.4
411.12665	0.6
437.14444	8.5
438.15039	0.8
438.88858	0.4
454.58493	0.4
455.15616	100.0
456.15933	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	455.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.3
59.01377	29.9
61.98826	18.2
70.60716	2.0
71.01373	13.8
72.99332	0.9
73.02940	4.1
75.09087	0.8
83.01381	1.9
85.02958	2.6
87.00872	1.1
89.02448	8.4
93.03444	5.5
98.88965	0.8
101.02428	7.6
101.91451	0.8
105.01911	1.0
113.02450	4.8
117.03475	5.3
119.03523	4.1
119.05020	47.1
120.05300	0.9
121.02956	4.4
123.04592	1.4
131.05020	1.5
132.05782	4.0
133.02945	2.7
133.06599	17.5
134.03720	1.1
135.04501	3.0
137.02448	5.5
145.02940	43.3
146.03288	1.5
147.03009	1.5
147.04504	2.5
147.06511	1.0
159.04549	1.5
161.02431	8.8
161.04675	1.8
161.06065	44.8
162.03154	1.2
162.06500	1.3
163.04001	61.7
164.04359	2.0
177.05557	24.3
179.03481	2.4
187.03996	1.8
190.35335	0.9
205.05042	53.3
206.05399	2.1
207.85059	0.9
235.06114	16.3
236.06456	0.8
265.07141	27.0
266.07614	2.1
271.73035	0.9
281.06546	0.9
286.76364	0.9
309.11868	27.7
310.12262	1.1
325.09299	2.1
344.35239	0.9
349.18805	0.9
396.88788	0.9
401.98016	1.0
419.13376	7.1
455.15558	100.0
456.15930	10.9
459.61621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26258	0.8
59.01376	26.8
61.98827	14.1
62.54712	0.7
66.46895	0.8
71.01380	12.9
72.99311	1.7
73.02935	4.3
79.98518	0.7
83.01394	1.3
85.02940	3.8
87.00867	1.1
89.02448	9.8
92.72503	0.9
93.03473	4.1
95.01392	1.0
98.20662	2.2
99.00846	1.1
101.02435	8.7
105.01923	1.7
111.00858	1.1
113.02470	5.5
115.07850	0.7
117.03460	6.3
118.04282	1.1
119.03521	4.4
119.05023	50.0
120.05412	1.5
121.02972	3.9
131.03539	0.9
131.05014	1.9
132.05807	3.2
133.02950	3.7
133.06595	17.1
134.06955	1.2
135.04491	1.5
137.02460	4.0
145.02942	40.4
146.03294	1.6
147.02956	2.7
147.04514	2.0
149.06113	1.5
159.04517	1.4
160.90446	0.8
161.02440	13.2
161.04678	2.0
161.06062	45.3
162.03133	1.3
162.06456	2.3
163.03998	66.9
164.04301	2.8
177.05563	23.5
179.03485	2.2
187.04013	2.8
201.09171	2.9
205.05042	49.8
206.05360	2.9
217.04893	1.0
229.52876	0.9
235.06100	15.0
265.07159	25.6
266.07538	1.9
309.11887	28.3
310.12253	1.3
325.09232	2.0
349.18338	0.8
350.88998	0.8
398.21030	0.9
419.13614	5.0
455.15540	100.0
456.15790	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	455.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.8
57.03424	2.7
58.00587	1.5
59.01374	33.2
61.98830	13.8
71.01376	57.8
71.52013	1.9
72.99281	2.5
73.02938	20.9
75.00844	1.9
76.95775	1.1
83.01372	7.9
85.02948	28.2
87.00867	26.3
88.98803	2.5
89.02435	21.4
89.02945	2.2
95.01385	4.9
96.95998	1.3
97.02905	2.2
99.00874	8.7
100.18032	1.3
101.02435	44.2
101.06071	2.3
109.02962	1.5
111.00860	2.3
113.02438	25.8
119.03506	3.6
119.05008	4.5
125.02406	5.2
128.07224	1.3
129.01926	6.9
131.03496	3.9
131.07135	2.3
133.02966	1.7
143.03476	3.7
149.04549	6.5
159.03038	8.8
161.02473	2.4
161.04539	28.8
163.04042	6.7
172.36545	1.4
173.08179	18.7
187.03943	1.3
191.05493	1.5
233.06517	1.5
250.19348	1.7
263.11322	73.6
264.11594	3.1
293.08841	2.7
325.09491	1.7
395.15536	100.0
396.15799	7.5
455.11755	2.0
455.17316	2.8
458.83902	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01706	1.4
61.98837	2.9
62.87031	0.5
63.47015	0.5
71.01389	2.5
71.51999	0.5
72.28960	0.6
81.37821	0.5
85.02966	1.0
89.02460	0.9
94.35017	0.6
95.05033	1.2
101.02452	1.0
113.02431	0.7
119.65682	0.6
133.02956	0.7
139.03993	7.7
145.02957	3.3
154.69904	0.5
236.38759	0.6
293.21298	0.7
405.60605	0.6
455.26352	5.1
455.35547	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80788	0.4
59.01375	100.0
60.01709	0.8
61.98828	1.5
70.43626	0.3
71.01389	0.6
71.19708	0.4
71.20058	0.5
73.02964	0.5
77.72109	0.3
79.09858	0.3
85.02982	0.3
101.02459	0.6
136.65155	0.3
346.39328	0.4
455.19550	0.5
455.35382	1.7
456.19226	0.9
456.35428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35553	0.3
59.01378	100.0
60.01706	0.7
61.98838	1.1
64.57789	0.4
67.42222	0.3
71.01409	0.4
71.75180	0.3
85.10098	0.3
96.89042	0.4
101.02464	0.7
110.46767	0.3
114.66064	0.3
116.56386	0.3
139.03995	1.0
140.44498	0.3
178.23514	0.3
413.62268	0.3
450.64615	0.3
455.26300	0.5
455.35605	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61333	0.7
59.01378	100.0
59.77622	0.5
60.01720	0.6
61.98830	1.9
62.31146	0.5
70.39616	0.8
71.01377	1.3
89.02493	0.7
101.02450	2.2
116.72426	0.6
283.17365	0.6
363.09134	0.6
455.35754	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	455.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01709	1.5
60.54988	0.7
61.98829	5.2
69.23399	1.7
69.23795	5.9
71.01385	3.3
85.02962	1.0
89.02466	1.7
89.68307	0.7
101.02450	1.9
104.04710	0.7
139.03999	4.5
161.11446	0.7
225.74022	0.7
228.60762	0.8
241.58376	0.8
278.30624	0.8
327.27188	0.8
358.06549	1.0
373.38297	0.8
455.26132	8.1
455.35541	3.9
456.27124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2647
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
51.63475	0.3
55.01866	1.0
57.03432	1.2
58.00589	0.9
59.01377	35.4
59.61506	0.3
61.98844	0.4
70.90262	0.7
71.01377	20.8
71.59059	0.3
72.99299	2.1
73.02927	1.1
83.01379	1.7
85.02943	5.7
87.00854	0.7
89.02439	15.9
95.01372	1.5
99.00878	0.7
100.56137	0.4
100.75204	0.3
101.02435	10.5
111.08162	0.7
113.02444	6.6
113.09653	0.4
114.02837	0.3
119.03493	5.5
121.02993	0.4
131.03482	0.3
133.14119	0.4
144.09267	0.3
150.44958	0.3
163.96407	0.3
169.01424	0.3
174.59331	0.3
179.05609	0.4
179.14363	0.5
195.13936	0.5
205.15990	0.8
223.13402	1.0
239.40240	0.3
275.20093	5.0
276.20471	0.5
277.21793	0.9
293.21176	21.9
294.21643	1.6
455.26443	100.0
456.26794	9.9
456.33179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3526
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
58.77504	0.3
68.50154	0.3
69.85247	1.4
129.84167	0.3
157.86330	0.3
160.94341	0.3
162.24881	0.3
181.22298	0.3
182.50989	0.3
310.69879	0.4
348.38898	0.3
455.35251	100.0
456.35599	13.1
478.25375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35730	0.2
69.66113	1.3
70.02457	0.2
91.63600	0.2
108.57973	0.2
146.00764	0.2
278.24338	0.3
289.92142	0.2
315.97980	0.3
338.15762	0.3
357.03171	0.3
407.33148	0.7
409.16934	0.2
455.35263	100.0
456.35605	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	456.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66419	0.1
59.01376	1.1
61.98825	100.0
65.46425	0.2
69.42454	0.6
69.42873	0.3
72.99304	4.1
75.00861	0.3
85.02964	0.1
86.51114	0.1
89.02393	0.1
98.19936	0.3
101.02455	0.1
111.83916	0.1
135.03001	1.2
191.02002	1.0
191.10930	0.2
263.81778	0.1
334.81668	0.2
439.15915	0.2
457.17514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15593	1.1
58.00571	1.5
58.87119	1.0
59.01376	39.9
61.98804	2.7
69.03461	5.7
69.90571	1.2
70.14748	1.2
71.01026	1.1
71.01383	20.3
71.51734	1.8
72.99298	6.6
73.02924	2.5
75.00866	4.3
83.01389	1.4
85.02943	4.4
87.00857	2.0
87.04460	1.3
89.02436	23.0
93.03423	3.4
95.01357	2.8
99.00809	1.7
101.02441	13.7
113.02444	10.8
117.03437	6.0
119.03548	11.5
119.05024	51.9
120.05325	2.0
121.02901	3.5
123.04557	1.8
131.03499	1.9
132.05785	3.1
133.02954	5.9
133.06601	18.3
134.03690	4.1
135.04541	10.9
137.02443	2.6
145.02957	38.0
147.04460	1.6
149.06075	2.9
159.04460	1.7
161.02461	19.0
161.06087	37.9
162.06427	1.5
163.04005	67.0
164.04279	1.2
177.05576	25.9
179.03455	9.9
187.04016	2.8
193.04964	3.2
203.03270	1.1
203.10724	3.5
205.05043	45.6
206.05447	2.0
221.04457	3.6
235.06122	11.3
238.00211	1.2
251.05525	2.1
265.07150	25.8
266.07336	1.5
268.50500	1.0
281.06396	1.9
295.10339	23.0
305.66629	1.2
311.09839	49.1
312.10052	2.1
325.09021	3.9
341.08676	2.2
381.12195	1.3
446.80463	1.3
457.13275	100.0
458.13297	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	457.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
56.48343	1.0
57.03442	1.3
58.00598	2.4
59.01376	48.3
60.99303	1.2
61.98820	3.1
69.03449	3.4
69.81923	5.7
71.01376	32.3
72.97519	1.1
72.99301	5.2
73.02937	2.5
83.01390	3.9
83.05017	1.7
85.02947	7.3
87.00869	3.6
88.98785	4.0
89.02434	29.7
89.02948	2.2
93.03459	1.2
94.68714	1.2
95.01373	2.8
95.05051	2.9
97.22853	1.1
99.00841	2.1
99.04523	1.6
101.02438	20.2
107.05009	1.6
109.02967	3.2
109.06589	2.8
111.00855	1.8
111.04529	3.5
112.48672	1.0
113.02448	12.9
113.06080	3.1
119.03510	12.6
119.04958	8.4
121.06590	3.1
123.04498	1.1
123.08169	4.5
131.03505	2.2
133.02936	2.0
133.06557	1.4
135.04529	7.6
137.06064	1.1
143.03438	1.4
145.02968	1.7
146.03612	1.1
149.06021	1.9
151.04120	1.3
161.02440	4.9
161.04535	2.9
161.05927	1.0
161.09888	1.1
163.03973	8.5
171.11783	4.4
179.03543	5.1
179.05626	1.9
189.09360	1.3
189.12848	14.4
215.10703	3.0
228.91193	1.5
233.11708	3.5
251.12869	8.2
252.13379	1.3
277.10779	6.9
295.11844	24.4
296.12173	2.5
311.09732	1.3
319.11862	4.2
337.12781	1.9
341.08826	3.0
352.32272	1.1
383.09827	1.9
397.11633	1.5
457.17191	100.0
458.17386	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	457.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57476	0.4
55.01868	0.6
57.03447	1.1
58.00595	0.9
59.01377	100.0
60.01709	1.3
61.98554	0.5
61.98825	3.3
66.91371	0.4
67.45370	0.4
69.03451	0.6
69.50864	1.2
69.51280	1.9
71.01377	18.8
72.99315	0.7
73.02943	14.4
73.81947	0.4
81.03472	0.5
83.01382	3.8
85.02946	4.7
85.06579	5.8
86.52579	0.4
87.00900	1.2
89.02438	9.7
92.34573	0.4
95.01407	1.2
99.00893	0.9
101.02441	15.2
112.98540	0.5
113.02452	9.8
119.03498	4.2
123.08186	0.8
125.02454	1.6
131.03519	1.2
143.03502	1.3
149.04579	1.2
161.04568	4.5
167.07135	2.0
179.05621	1.0
180.63078	0.4
181.01477	0.4
209.08176	0.9
235.13513	2.3
239.83397	0.5
267.23987	0.6
397.22415	1.9
415.23447	2.9
421.20868	4.2
422.21292	0.5
457.20050	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67496	0.1
51.70906	0.1
70.65783	0.2
70.66109	0.2
90.50217	0.1
99.92577	5.3
100.92687	0.3
100.93361	3.9
101.93320	0.2
109.28265	0.1
113.92630	0.2
115.92069	100.0
116.92080	4.2
116.92862	5.7
117.92523	0.2
130.77495	0.1
132.92360	1.2
142.94438	0.3
155.95166	0.3
172.95453	5.4
173.95526	0.3
229.35263	0.1
283.26480	0.8
383.18747	0.8
384.19626	0.2
399.18320	0.3
409.20532	1.0
439.21393	0.4
457.22556	7.3
458.22995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40890	0.2
55.01880	0.7
57.03446	0.8
58.00586	0.4
59.01377	100.0
60.01708	0.9
61.98829	0.5
69.03447	0.3
71.01377	12.2
72.99297	0.6
73.02940	4.8
81.03449	0.6
83.01369	1.6
83.05032	0.3
85.02951	4.2
87.00888	0.7
89.02440	9.4
95.01397	1.5
98.19838	0.4
99.00894	0.9
99.04475	0.6
101.02440	7.8
101.03109	0.4
109.39621	0.3
113.02444	10.3
114.02753	0.2
119.03503	3.5
120.63128	0.2
125.02466	0.3
131.03494	0.8
135.86238	0.3
143.03513	1.0
149.04634	0.5
154.40936	0.2
161.04529	2.7
179.05653	1.4
216.34671	0.2
253.18280	0.3
397.22208	3.8
397.26816	0.3
398.22360	0.4
415.23346	3.7
416.23917	0.3
457.24292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26837	0.2
55.01871	0.3
55.42626	0.2
56.96900	0.2
57.03454	0.3
58.00596	0.2
59.01376	100.0
59.12349	0.2
60.01709	0.8
68.60737	0.2
69.03461	0.4
71.01377	9.3
72.84470	0.1
72.99315	0.3
73.02942	8.2
83.01377	1.7
84.34258	0.2
85.02953	2.6
87.00885	0.4
89.02443	5.3
95.01385	0.9
95.73331	0.1
95.95860	0.2
97.02963	0.2
98.71928	0.2
99.00885	0.3
101.02433	7.2
113.02444	7.3
114.02847	0.2
119.03494	2.2
125.02438	0.3
128.51624	0.2
131.03474	0.8
143.03502	0.6
149.04573	0.6
161.04543	2.4
169.33134	0.2
179.05542	0.8
213.50842	0.2
397.22385	0.8
415.23340	1.8
457.24567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47623	0.2
54.28785	0.2
55.42640	0.2
57.03443	0.5
58.00595	0.6
59.01376	100.0
60.01711	0.9
69.03423	0.3
69.22848	1.9
71.01378	12.6
72.01718	0.2
72.99310	0.5
73.02944	11.9
75.00867	0.2
78.43378	0.2
81.38382	0.2
83.01377	2.7
83.01818	0.2
85.02944	3.4
85.03405	0.3
87.00878	0.5
89.02439	6.6
95.01412	0.7
99.00886	0.6
101.02438	10.4
113.02447	8.7
114.02790	0.3
119.03484	2.1
125.02403	0.3
131.03503	1.0
143.03490	1.1
149.04584	0.8
155.03572	0.3
161.04530	2.6
179.05661	0.8
397.22391	1.2
415.23529	1.0
422.99359	0.2
436.07031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94089	0.2
55.01880	0.5
57.03440	0.3
58.00584	0.3
59.01376	100.0
60.01718	0.7
69.29404	1.3
71.01377	8.1
72.01723	0.2
72.99296	0.3
73.02944	2.0
75.00864	0.4
83.01404	0.9
85.02951	2.7
87.00864	0.4
89.02438	5.2
95.01395	0.8
96.39570	0.2
97.06587	0.3
98.20641	0.4
99.00895	0.6
101.02439	5.4
108.40115	0.2
113.02450	4.7
119.03457	2.1
125.02444	0.3
131.03499	0.4
143.03546	0.7
149.09750	0.7
159.02975	0.5
161.04558	2.6
179.05670	0.6
217.16100	0.2
306.24911	0.2
377.03571	0.2
397.22534	0.8
415.23511	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39325	0.4
55.01870	0.6
57.03439	0.8
58.00567	0.4
59.01376	100.0
60.01718	1.4
61.98837	1.0
69.39874	3.0
69.96449	0.4
71.01380	11.3
71.01778	0.6
72.99303	0.7
73.02943	5.9
81.03477	0.4
81.86547	0.4
83.01376	2.1
85.02949	3.9
87.00864	0.8
89.02432	6.9
95.01392	1.0
99.00876	0.8
99.04516	0.6
101.02439	8.8
101.64298	0.4
113.02440	7.1
119.03485	2.8
131.03456	0.5
132.87798	0.4
143.03479	0.9
149.04478	0.7
155.62959	0.4
161.04584	2.6
179.05644	0.8
183.13925	0.5
209.36826	0.4
235.17035	0.6
262.34622	0.4
333.32736	0.4
335.20825	1.1
377.21985	1.5
397.22308	3.0
398.22888	0.7
415.23401	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55666	0.2
55.01880	0.5
56.25735	0.2
57.03423	0.3
58.00588	0.6
59.01376	100.0
60.01704	0.6
61.98827	0.7
64.81663	0.2
69.03467	0.7
71.01379	19.4
72.01739	0.3
72.99309	1.0
73.02941	14.8
74.03304	0.3
75.00890	0.2
83.01385	3.9
85.02937	4.1
87.00888	0.9
89.02442	14.2
91.06248	0.2
95.01403	1.2
97.02965	0.3
99.00888	0.4
101.02438	15.4
113.02443	9.5
119.03493	5.2
125.02450	0.8
131.03535	1.6
143.03508	1.7
149.04510	1.4
155.03487	0.4
159.03029	0.3
161.04526	3.8
179.05597	1.9
253.18079	0.2
286.45215	0.3
334.75787	0.2
371.88818	0.2
397.22443	0.9
415.23538	1.0
416.23676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.332
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
55.78615	0.3
57.03436	1.4
59.01365	0.9
61.98836	0.4
69.03441	1.0
72.86143	0.3
75.86380	0.2
78.81277	0.3
413.34262	2.8
457.33179	100.0
458.33521	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	459.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14231	0.3
50.89559	0.3
57.03421	0.4
59.01377	45.1
60.01704	0.8
61.98823	3.2
69.03440	0.6
71.01379	6.9
71.30019	0.5
73.02945	3.1
74.37746	0.3
83.01376	1.3
85.02949	2.3
86.78444	0.4
87.00884	0.7
89.02439	3.3
93.03452	0.7
95.01373	0.9
99.00880	0.9
101.02446	4.8
113.02443	3.7
117.03413	0.6
119.03493	1.1
123.04506	1.5
125.02408	1.1
143.03531	0.7
149.04507	0.4
151.03999	1.5
159.02989	0.5
161.04582	2.1
161.05721	0.4
165.12851	0.9
167.03484	0.9
172.18210	0.4
179.05690	0.4
183.08223	0.5
210.06842	9.7
211.07617	100.0
212.07965	5.5
233.06705	0.4
237.15034	1.1
255.19717	0.4
293.08868	0.4
355.11850	0.6
376.10471	0.4
399.23956	2.1
417.24918	1.9
459.13626	0.6
459.22488	2.0
459.29526	1.1
460.23004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	57.7
70.76035	4.4
71.01374	40.4
72.99321	2.3
73.02944	70.2
75.00863	4.7
83.01423	3.0
85.02959	8.2
85.34082	1.8
87.00874	5.5
88.09316	1.9
88.83309	2.0
89.02443	57.0
99.00861	5.0
99.04498	2.2
101.02444	22.3
102.64881	1.9
113.02436	20.5
116.92852	3.8
117.01940	100.0
117.05537	2.3
117.20493	1.9
118.05104	2.3
119.03488	15.9
123.04529	3.4
125.02443	2.4
131.03513	2.7
135.04504	1.9
143.03487	5.4
150.03244	2.9
151.03989	7.1
161.04486	6.7
179.05620	28.8
244.74112	2.1
279.10831	9.6
341.10849	78.5
342.11227	6.6
448.25497	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64945	0.6
54.42199	0.6
55.01881	0.8
59.01380	16.7
59.92788	0.7
69.35433	1.1
69.35836	3.5
71.01379	9.5
72.99316	1.9
73.02943	1.7
83.01398	1.2
85.02949	2.3
87.00871	1.5
89.02434	6.7
95.42558	0.6
98.20606	1.3
99.00822	0.7
101.02435	5.3
105.76642	0.6
113.02443	3.6
117.03440	3.3
119.03484	2.1
121.05087	4.2
132.01410	0.4
132.02161	16.7
133.02963	2.0
134.03735	33.1
135.04083	0.7
137.02420	1.0
139.04002	0.8
141.91939	0.7
145.02937	1.6
147.04524	0.6
149.06125	4.7
160.01649	83.6
161.02072	4.8
161.04585	1.2
163.03952	1.0
175.03986	100.0
176.04327	5.0
177.01822	0.7
178.02722	1.8
179.03500	1.1
180.08409	0.6
191.07149	1.6
193.05040	45.4
194.05434	1.5
207.06726	0.7
221.04414	0.7
235.06149	5.8
265.07202	1.1
337.09137	0.9
339.10641	0.9
448.37964	0.7
459.15021	91.8
460.15320	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	459.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36148	0.5
59.01376	7.4
59.84064	0.4
62.42034	0.5
69.61707	2.7
71.01376	5.0
75.52039	0.5
85.02943	1.6
89.02451	3.5
89.28957	0.5
98.19987	0.8
98.65869	0.4
98.73062	0.5
101.02439	3.2
113.02431	1.9
114.87529	0.5
117.03458	21.2
118.03794	0.8
119.03502	1.7
119.05015	19.2
120.05355	1.1
123.04484	0.5
133.02931	1.2
133.06598	1.8
135.04475	0.9
139.97507	0.6
145.02942	100.0
146.03253	3.7
151.06084	2.3
161.02432	6.3
161.06046	5.2
163.03998	32.9
164.04338	1.7
177.05566	3.3
179.03511	0.7
205.05040	7.9
235.06128	2.6
265.07144	4.5
307.08194	1.2
309.09927	0.5
325.09329	0.7
459.15033	76.7
460.15463	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	459.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.0
58.00586	3.1
59.01376	100.0
60.99312	4.0
61.98831	18.7
71.01378	56.7
72.99306	5.3
73.02949	5.2
79.05520	2.3
81.03436	2.4
83.01402	3.6
83.24707	1.6
85.02945	8.7
87.00886	2.3
88.98802	17.7
89.02440	71.6
93.03449	5.0
95.01397	5.1
99.04515	5.7
101.02440	28.3
101.03104	2.3
105.07110	1.8
107.05042	4.7
113.02447	22.2
119.03505	34.6
119.04966	2.0
130.04251	1.8
131.03548	4.4
134.03796	2.9
143.03477	7.3
143.08641	4.8
144.05696	1.8
147.04523	2.0
157.06577	1.8
157.10239	6.6
157.43689	1.5
159.08128	5.9
159.11786	4.5
161.04546	6.8
167.07117	2.8
169.06650	1.6
170.07378	7.4
173.09698	10.8
177.01917	3.7
179.04041	1.9
179.05592	15.9
183.08130	4.1
185.09702	64.7
186.10077	4.7
191.10658	2.2
203.10760	33.0
205.12418	4.4
216.73061	1.6
217.12314	63.2
218.12653	3.6
229.08701	2.4
229.43596	1.7
233.53934	1.7
235.13263	2.1
243.46066	1.6
247.09688	8.5
249.11267	5.4
261.11276	37.0
262.11551	2.4
279.12347	32.2
280.12711	2.4
323.20560	1.9
439.79007	1.7
441.17471	6.3
451.80768	2.0
459.18799	1.9
481.55612	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	459.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00560	1.6
59.01376	100.0
61.98819	3.5
69.03458	1.5
71.01378	28.2
71.52526	1.5
73.02941	30.2
78.76354	1.3
83.01389	6.9
85.02948	6.5
87.00878	2.1
87.02738	3.7
89.02441	12.1
95.01354	1.7
95.07040	1.3
99.00823	1.5
99.04516	4.4
101.02435	30.1
101.36546	1.4
107.05011	4.4
108.07509	1.4
109.09692	1.3
113.02460	9.3
117.03452	12.8
118.98126	2.6
119.03487	3.4
119.05006	3.6
120.99632	1.6
125.02510	1.5
131.03499	2.7
143.03528	2.5
145.02953	43.2
146.03296	1.4
149.04578	2.4
151.04013	3.2
161.04568	6.6
163.03972	5.5
164.26147	1.4
197.93190	1.5
211.07704	1.5
279.15976	14.3
285.35565	1.4
307.08194	5.5
337.11313	2.0
415.13950	7.9
417.24899	1.8
459.12921	4.2
459.21951	1.8
461.71298	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03441	0.5
59.01377	100.0
60.01711	1.7
61.01794	1.1
61.98837	2.1
62.03399	0.5
69.65334	1.1
69.65742	2.2
71.01379	10.7
71.87057	0.5
72.99309	0.8
73.02941	4.8
74.03304	0.7
78.19983	0.5
81.09493	0.5
83.01397	1.6
85.02947	3.9
87.00900	0.8
89.02441	4.0
91.85832	0.6
93.03432	0.7
95.01414	0.8
99.00924	0.7
101.02438	7.2
103.03946	0.6
107.05052	1.1
113.02443	6.6
114.02795	0.9
119.03500	1.3
119.05016	0.6
123.04581	1.0
125.02481	0.7
134.03783	0.6
141.05270	0.5
145.02843	0.7
147.04532	3.1
149.06075	3.1
151.04034	0.9
159.03033	0.7
161.04584	2.9
161.05988	0.7
195.65144	0.5
255.10413	1.9
255.19627	0.8
373.22211	3.7
399.23920	2.1
406.16452	0.6
415.23962	0.6
417.25079	1.6
459.13641	0.7
459.22638	1.1
460.32932	2.3
461.23700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03441	0.5
59.01377	100.0
60.01711	1.7
61.01794	1.1
61.98837	2.1
62.03399	0.5
69.65334	1.1
69.65742	2.2
71.01379	10.7
71.87057	0.5
72.99309	0.8
73.02941	4.8
74.03304	0.7
78.19983	0.5
81.09493	0.5
83.01397	1.6
85.02947	3.9
87.00900	0.8
89.02441	4.0
91.85832	0.6
93.03432	0.7
95.01414	0.8
99.00924	0.7
101.02438	7.2
103.03946	0.6
107.05052	1.1
113.02443	6.6
114.02795	0.9
119.03500	1.3
119.05016	0.6
123.04581	1.0
125.02481	0.7
134.03783	0.6
141.05270	0.5
145.02843	0.7
147.04532	3.1
149.06075	3.1
151.04034	0.9
159.03033	0.7
161.04584	2.9
161.05988	0.7
195.65144	0.5
255.10413	1.9
255.19627	0.8
373.22211	3.7
399.23920	2.1
406.16452	0.6
415.23962	0.6
417.25079	1.6
459.13641	0.7
459.22638	1.1
460.32932	2.3
461.23700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04364	0.2
51.15752	0.2
51.70515	0.2
55.01873	0.5
57.03440	0.6
58.00577	0.2
58.10733	0.2
59.01376	100.0
60.01712	1.0
61.98827	0.6
66.32706	0.2
69.32567	1.3
69.32970	0.4
70.29742	0.2
71.01379	7.3
73.02947	2.0
83.01382	1.0
85.02946	4.0
85.03458	0.2
86.17500	0.2
87.00869	0.3
87.04500	0.9
89.02436	1.9
95.01379	1.1
99.00883	1.2
101.02440	3.5
113.02448	7.4
119.03533	0.5
143.03510	0.5
149.06071	2.1
159.02966	0.3
161.04529	2.8
179.05687	0.2
255.19733	0.2
399.23846	7.9
400.24307	0.8
417.24918	3.2
418.25296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01729	0.6
61.98832	0.7
69.30849	2.1
70.20141	0.3
71.01375	0.4
92.86958	0.3
101.02461	0.4
102.53012	0.3
116.92850	0.5
125.09683	0.3
209.11882	0.4
221.34117	0.3
234.73959	0.2
244.71220	0.3
459.26111	0.3
472.13736	0.3
481.39438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
55.71778	0.6
57.03430	1.1
59.01378	100.0
59.61837	0.6
60.01724	0.8
61.98834	3.1
69.38873	0.6
71.01380	11.3
71.52172	1.0
72.99318	1.2
73.02950	1.9
85.02938	4.0
87.00893	1.4
89.02441	13.9
90.55695	0.8
101.02448	6.3
108.16698	0.6
113.02464	4.8
119.03515	5.1
121.02965	1.2
143.03596	1.2
151.04037	0.8
161.04568	2.5
168.75784	0.7
173.54773	0.7
179.05615	4.6
204.49374	0.6
255.19884	0.7
399.23837	5.0
401.08557	1.3
417.25027	1.9
459.25598	3.2
459.31433	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
54.80906	0.5
57.03437	0.6
58.00618	0.7
59.01379	100.0
60.01717	1.2
61.98848	1.0
71.01379	10.5
72.99320	0.5
73.02934	2.6
83.01396	1.4
85.02937	3.0
87.00882	0.5
89.02444	6.9
95.01403	1.1
99.00892	0.5
101.02444	8.8
113.02453	4.1
116.92932	0.5
119.03511	2.4
125.02429	0.7
131.03470	0.6
140.13712	0.5
143.03517	1.2
145.02966	0.6
149.04387	0.6
151.03986	0.6
159.03052	0.6
161.04581	4.9
168.53999	0.4
179.05518	1.0
218.36980	0.5
221.68312	0.5
279.19675	4.4
399.23834	10.9
399.28766	0.8
400.23874	0.8
417.25064	1.1
459.25687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2901
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
53.86859	0.3
61.95932	0.2
61.98838	0.3
70.74374	0.4
83.15608	0.2
107.05025	30.4
108.05372	0.6
127.74840	0.3
140.77071	0.2
142.21402	0.3
147.08192	0.5
163.11278	100.0
164.11606	3.9
183.86322	0.3
238.10025	0.6
280.14630	0.4
283.17004	26.6
284.17291	1.7
295.16998	15.0
296.17386	1.6
377.82867	0.2
396.28091	0.2
459.28992	77.6
460.29318	11.2
481.10770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1088
Annotation	Isoscoparine
Peak:m/z	Relative Intensity
57.03451	0.7
59.01375	31.9
60.01707	1.2
61.98821	6.6
69.03447	3.4
69.19881	2.8
69.20285	0.5
71.01378	4.8
72.99345	0.4
73.02938	2.4
74.22116	0.3
75.41539	0.3
79.01886	1.1
79.19878	0.3
81.03456	1.3
81.65483	0.4
82.25268	0.3
83.01379	2.8
85.02937	2.5
86.29208	0.4
87.00867	0.8
89.02443	1.7
95.01405	2.2
97.02937	3.7
97.06611	0.4
99.00814	0.4
99.81266	0.3
101.02427	3.2
102.35972	0.3
107.01396	1.8
107.04939	0.4
108.02177	0.9
109.02954	0.8
113.02448	2.3
119.03529	0.3
121.02900	0.5
123.00879	8.0
124.01657	20.7
125.02438	54.1
126.02782	1.8
128.14140	0.3
133.02960	0.8
135.04485	0.9
136.01697	0.7
137.02423	2.9
145.02982	0.5
147.04526	3.7
149.02519	0.4
149.99574	37.6
151.00352	3.5
153.12849	1.2
161.02406	1.5
161.04559	1.1
165.01892	0.4
167.03496	0.6
168.00623	63.4
169.01369	5.2
179.03493	0.8
179.10724	0.6
183.13730	0.5
193.01402	0.6
195.13867	0.9
197.11813	3.0
213.14902	3.2
231.13895	0.4
233.48949	0.4
234.29265	0.4
287.20172	0.8
299.20154	0.4
313.05652	1.9
327.21741	0.8
331.36246	0.4
401.25101	0.6
417.21432	0.4
419.26703	0.5
443.09766	3.0
461.10840	100.0
461.24615	6.2
461.31406	1.8
462.11172	10.4
462.24954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.2
61.98819	2.3
69.03468	0.6
71.01375	7.7
71.53536	0.6
72.99295	1.3
73.02954	1.4
73.06686	0.4
73.87192	0.4
74.82700	0.5
76.34875	0.4
81.03450	1.1
83.01376	1.1
85.02948	2.1
87.00854	1.5
88.30108	0.5
89.02443	7.6
90.02811	0.5
90.98592	0.4
93.03449	0.9
95.01396	1.2
99.04559	0.5
101.02433	4.7
105.03450	0.6
107.05029	0.7
108.02164	29.7
109.02956	14.3
109.03698	0.8
110.03272	0.7
113.02435	4.4
117.03455	11.6
119.03543	2.4
119.05020	6.4
120.05300	0.7
121.02924	0.7
122.97157	0.5
123.04498	1.0
125.37917	0.5
131.03490	0.5
132.02145	1.4
133.02950	37.0
134.03749	1.4
135.04523	8.9
136.01610	0.5
137.02435	20.9
137.06006	0.7
138.02754	0.7
145.02946	35.8
146.03233	1.1
147.04524	1.0
152.01143	39.1
153.01939	14.6
161.02431	100.0
162.02759	3.3
163.04031	4.1
165.05583	0.8
172.05754	0.5
177.05521	0.7
179.03485	5.5
179.05627	1.5
185.10175	0.6
185.11754	3.0
186.10031	0.7
203.10738	0.9
204.11160	0.6
213.05426	0.8
217.12241	0.8
221.04565	0.6
227.12961	0.6
257.11707	1.4
261.11270	0.6
281.13919	1.3
281.17468	0.6
299.07782	4.8
307.08304	0.9
315.07172	15.6
316.07642	1.1
323.07639	1.3
461.10239	28.1
461.14667	41.8
462.10846	3.2
462.15143	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	461.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.2
58.00568	0.3
59.01373	6.3
61.01751	0.1
61.98793	0.5
63.33337	0.1
71.01378	3.3
71.52480	0.2
72.99277	0.3
73.02911	0.5
79.52721	0.1
83.01351	0.3
85.02942	1.1
85.23309	0.1
87.00850	0.5
89.02441	2.7
89.03987	0.3
93.03431	0.7
95.01361	0.5
95.04995	0.2
101.02430	2.1
105.03425	0.6
108.02169	10.2
109.02956	5.2
113.02430	1.3
115.01881	0.2
116.10123	0.2
117.03457	5.0
119.03571	0.8
119.05016	3.2
121.02947	0.4
123.00842	0.2
123.04477	0.4
132.02167	1.8
133.02951	33.9
134.03206	0.8
135.04515	8.1
136.04831	0.2
137.02438	6.5
137.06076	0.5
143.03539	0.2
145.02948	13.2
146.03227	0.4
148.39073	0.1
149.06134	0.2
151.04025	0.3
152.01144	14.6
153.01929	4.3
154.02313	0.2
160.01706	0.3
161.02431	100.0
162.02783	3.8
163.03996	1.5
167.07153	0.2
177.05594	0.5
178.02791	0.2
179.03484	4.0
185.10056	0.2
185.11864	1.0
187.04036	0.2
213.05612	0.2
217.12419	0.2
221.04594	0.4
251.05754	0.2
273.76797	0.2
281.06772	0.4
281.14017	0.3
293.08920	0.2
294.44867	0.2
299.07764	1.4
307.08521	0.5
315.07172	6.0
316.07721	0.3
323.07941	0.4
389.68152	0.2
398.65341	0.2
417.12173	0.2
461.15115	57.7
462.15479	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.6
59.01375	14.9
61.98814	1.5
69.03437	0.6
69.33726	0.9
69.34133	2.8
71.01376	4.8
73.02949	1.0
74.67070	0.4
82.85011	0.4
85.02946	2.0
86.64555	0.4
88.98785	0.6
89.02433	6.7
93.03413	0.6
95.01336	0.6
101.02429	2.6
105.03510	0.6
107.05026	0.6
108.70560	0.4
113.02444	3.6
117.03468	1.9
119.03481	2.0
119.05029	2.4
123.04530	3.5
127.07626	1.0
132.02145	1.0
133.02953	32.7
134.03311	0.9
135.04530	9.3
137.02380	0.6
137.06061	1.0
141.05542	0.5
145.02954	7.5
153.05556	3.5
155.07147	0.6
161.02432	100.0
162.02788	4.2
163.03979	1.8
172.89111	0.5
179.03494	6.0
179.05066	0.7
183.10281	2.1
187.11221	0.8
197.11908	0.8
207.10280	1.6
225.11307	2.2
239.12976	0.6
245.94261	0.4
254.39642	0.5
255.02954	1.6
263.12897	1.6
281.14005	1.6
281.17560	1.1
283.02420	0.9
298.04654	0.6
307.08133	3.9
307.87503	0.5
316.22577	0.5
436.72531	0.4
457.71466	0.5
461.14621	56.6
461.20340	5.9
462.15082	6.6
462.21185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.2
61.98835	0.9
63.40162	0.2
69.18951	0.7
69.19381	1.0
71.01374	2.2
72.78645	0.2
73.02939	0.3
74.07638	0.2
83.01358	0.2
85.02934	0.6
89.02448	1.6
89.03956	0.3
93.03456	0.2
95.01394	0.2
95.05040	0.2
98.19756	0.3
101.02425	1.0
103.31400	0.2
105.03417	0.6
108.02168	4.0
109.02949	2.1
113.02438	0.9
117.03447	2.0
119.03486	0.4
119.05016	1.5
121.02969	0.2
122.02485	0.3
123.04541	0.3
132.02158	1.9
133.02948	34.4
134.03622	1.1
135.04520	8.4
136.04874	0.3
137.02411	0.6
137.06046	0.4
145.02939	4.5
150.03194	0.2
151.99995	0.3
152.01152	5.1
153.01952	1.6
160.01649	0.4
161.02428	100.0
162.02777	3.9
163.04018	0.5
166.16725	0.2
175.04024	0.2
178.02718	0.3
179.03484	5.7
180.03796	0.4
185.11821	0.2
207.10345	0.2
315.07233	2.4
323.07935	0.3
461.14731	52.0
462.15036	5.9
462.21167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.1
59.17961	0.3
63.53340	0.3
63.62251	0.4
69.14852	2.0
69.15273	1.6
71.01385	3.6
85.02946	0.9
89.02432	2.6
90.57043	0.4
98.20679	0.8
101.02445	2.4
105.03449	0.6
105.61340	0.3
107.05034	0.4
108.02190	0.7
113.02426	1.7
117.03496	1.7
119.03492	1.2
119.05001	1.6
132.02142	1.8
133.02953	35.8
134.03331	0.6
135.04526	8.0
137.02449	1.3
137.06075	0.8
145.02928	1.0
152.01134	0.5
161.02434	100.0
162.02791	3.5
164.41100	0.4
177.05481	0.6
179.03479	4.9
179.05089	0.5
185.11841	1.1
210.06160	0.4
210.08049	0.4
221.04594	0.6
263.12720	0.5
281.13977	0.5
303.61719	0.3
461.14529	80.8
461.19699	3.9
462.14893	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20922	0.4
58.00575	0.4
59.01377	5.8
61.98845	0.3
62.45592	0.3
69.86716	0.9
69.87115	0.5
71.01383	2.9
79.24953	0.3
85.02956	1.2
86.88094	0.3
89.02441	2.3
93.03459	1.1
101.02444	1.7
107.05021	0.6
108.02169	66.5
109.02515	1.2
113.02457	1.6
117.03458	25.9
118.03795	1.1
119.03585	0.7
119.05019	16.9
120.05372	1.0
121.02956	1.5
123.04523	0.9
132.05803	0.7
133.06592	4.1
134.03751	0.9
135.04517	5.1
145.02945	100.0
146.03305	3.6
147.04594	0.4
153.05582	0.4
161.06073	12.3
162.06406	0.5
163.03998	28.2
164.04369	0.9
177.05542	6.0
187.03963	0.4
205.05025	20.1
206.05392	0.9
235.06096	8.0
262.08261	0.4
265.07147	18.3
266.07489	1.1
299.02008	0.4
315.10794	1.0
325.09204	1.0
351.10675	0.4
425.03021	0.4
461.07999	0.8
461.14471	19.1
462.14938	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	461.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50595	0.3
59.01376	8.4
61.98833	1.5
69.64118	2.3
71.01379	4.3
73.02943	1.2
85.02946	1.1
87.00883	0.8
89.02437	2.8
93.03467	1.2
97.02950	0.6
98.20594	0.8
101.02451	2.0
107.03809	0.5
107.05021	0.9
108.02171	66.2
109.02402	0.7
109.03031	0.7
111.04543	0.4
113.02463	1.7
117.03461	23.4
119.03589	0.8
119.05019	20.1
120.05340	0.4
120.86114	0.4
121.02937	1.2
123.04524	1.1
125.06081	0.5
132.05795	1.3
133.02939	2.6
133.06601	4.2
134.03734	1.1
135.04517	7.5
139.07651	1.4
145.02945	100.0
146.03270	3.4
151.07646	1.9
152.08395	0.9
153.01974	0.5
153.05553	1.2
153.09219	0.8
159.04514	0.5
161.02419	6.1
161.04669	0.5
161.06061	11.6
163.04004	26.5
164.04314	1.3
177.05565	5.1
187.03995	1.2
192.82295	0.4
201.12801	0.6
204.11557	1.1
205.05037	21.7
206.05298	1.0
219.13950	1.6
235.06111	8.0
263.12845	6.5
264.13272	0.6
265.07150	18.9
266.07434	0.9
283.31317	0.5
285.04279	0.5
307.08142	0.8
315.10843	0.6
325.09344	1.1
461.14609	25.7
462.14725	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	461.1661
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
52.29225	0.4
55.01861	0.7
56.10868	0.4
58.00579	0.6
59.01377	23.5
67.98520	0.4
69.03448	0.7
70.26773	1.7
71.01376	15.2
71.41343	0.4
72.99297	1.6
73.02945	15.2
75.00839	0.5
75.82089	0.5
76.01325	0.4
83.01376	1.1
85.02951	5.2
86.00069	1.1
87.00870	8.0
87.04505	3.1
89.02441	8.3
92.21510	0.5
95.01437	0.5
97.02943	0.7
99.00867	0.5
101.01796	0.8
101.02442	11.3
102.02746	0.5
103.03986	4.2
107.04987	0.4
113.02432	2.6
115.03999	6.1
119.03480	2.7
123.04514	2.0
125.02459	0.8
131.03490	9.2
134.03760	0.6
135.04515	26.5
143.03490	10.5
145.05040	2.4
153.05556	2.0
156.43042	0.4
161.04482	0.5
163.06082	2.8
163.48842	0.4
167.03571	0.4
198.71469	0.4
205.07161	8.1
276.52890	0.4
315.10709	2.3
461.16611	100.0
462.16977	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	461.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.8
56.37601	1.3
57.03443	3.3
59.01376	29.0
69.03426	1.6
69.26886	10.7
71.01379	49.8
71.01783	2.4
73.02937	19.1
83.01389	7.9
85.02950	24.4
87.00862	1.8
89.02439	6.5
95.01373	4.6
99.00879	7.1
101.01804	2.5
101.02436	39.7
102.32928	1.2
113.02454	22.3
125.02396	1.8
125.10695	1.3
129.01938	1.3
143.03462	2.0
150.17033	1.2
159.02948	5.4
161.03267	2.2
161.04544	28.4
173.20615	1.2
189.02240	1.4
195.71010	1.3
269.10275	100.0
270.10663	4.0
288.79575	1.3
321.58151	1.4
401.14474	76.4
402.14728	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	461.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.5
57.03440	4.4
58.00589	3.6
59.01375	100.0
60.01727	1.8
61.98819	8.2
65.03963	4.6
65.77452	1.6
66.87794	1.5
68.60613	1.4
68.89666	1.6
69.03449	3.1
71.01377	73.5
72.99312	4.1
73.02941	14.9
75.00898	2.0
83.01392	6.9
85.02946	30.3
85.03404	2.3
87.00879	5.6
87.04545	1.6
88.98815	2.1
89.02438	69.2
93.03417	1.8
95.01379	8.0
95.05033	2.0
97.02952	3.4
99.00923	4.8
99.04575	2.2
101.02433	43.8
102.02804	2.5
108.02168	1.9
111.00897	1.8
113.02439	54.1
113.06090	2.3
114.02838	1.6
119.03499	26.0
119.05001	11.3
121.06580	3.5
123.04522	2.5
125.02452	3.2
125.06123	2.1
131.03548	4.7
133.03020	2.0
135.04500	3.8
137.02521	1.8
137.06099	3.3
138.06871	6.0
139.03998	8.6
139.07671	2.0
143.03505	9.6
145.02979	3.0
149.04562	1.9
151.04028	1.8
151.07632	8.8
152.08470	4.5
153.09201	45.9
161.02493	2.8
161.04541	29.2
161.05885	1.8
161.09593	1.8
163.04097	6.4
164.04817	6.7
165.05585	5.6
165.09201	9.2
167.03520	2.7
167.07213	2.4
178.06363	3.0
179.05640	13.8
179.07190	14.3
181.05093	2.0
183.06691	5.5
203.10831	4.6
206.09554	5.8
209.04604	2.1
221.11815	36.5
222.12383	2.0
239.12866	39.4
281.10513	1.7
299.08334	2.7
299.11359	19.0
383.17444	2.1
399.12863	2.6
401.18076	19.6
402.18356	2.0
443.12082	3.2
461.16797	53.5
462.17319	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	461.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.2
57.03436	4.0
58.00612	3.2
59.01376	90.3
60.01700	2.7
61.98824	13.5
68.99804	3.0
71.01375	46.0
71.53320	2.6
72.99297	3.5
73.02943	24.4
83.01373	15.7
85.02951	23.6
87.00871	3.5
89.02446	12.9
95.01381	3.9
97.02950	2.5
99.00871	3.7
101.02427	27.6
113.02445	24.7
117.43774	1.8
119.03479	4.2
124.01682	2.3
125.02439	6.8
131.03615	2.6
135.04410	1.9
143.03465	4.3
149.99620	5.1
161.02396	3.3
161.04581	3.9
168.00630	6.1
175.02446	2.2
185.03600	4.4
195.13919	15.0
199.06390	7.0
211.05092	11.1
213.14832	4.3
224.05861	2.4
225.06667	4.1
226.07454	24.6
228.10280	18.6
229.10750	2.7
239.08200	15.2
240.09035	8.2
252.85898	2.0
254.10355	1.9
255.11345	54.9
256.11655	3.8
272.08041	6.7
283.07202	3.8
286.09488	2.3
287.20105	12.5
299.10324	40.3
315.25305	5.3
317.27014	7.9
357.19101	9.8
375.20178	24.5
376.20645	2.4
417.16553	9.2
417.21304	100.0
418.21515	10.1
431.24210	11.3
461.10794	4.9
461.15762	82.7
461.25204	20.5
461.31335	29.5
462.16226	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	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30088	0.8
58.69674	0.8
59.01368	0.8
65.00310	1.1
71.01384	1.5
83.01384	0.8
95.33355	0.8
96.42922	0.8
97.51639	0.8
107.01354	3.4
108.02142	1.6
109.02950	1.8
121.02947	2.4
135.00790	1.0
148.01671	1.4
151.00359	14.0
163.00354	3.0
164.01122	1.5
178.99902	6.8
186.22462	0.8
195.30748	1.1
211.04022	1.4
226.02664	2.5
227.03546	4.1
243.02945	12.2
244.03383	1.2
245.04573	1.9
254.02197	3.4
255.02965	31.7
256.03290	2.5
271.02457	68.8
272.02899	7.8
273.03900	1.5
283.02414	1.9
299.02002	1.4
300.02728	100.0
301.03461	57.5
302.03952	4.4
347.16901	1.7
407.00311	0.9
463.08752	92.6
464.09042	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.3
58.45321	1.3
59.01379	9.3
62.70706	1.3
69.82037	1.4
69.82529	2.7
69.82896	6.2
71.01379	84.9
72.97520	2.2
72.99301	26.7
87.00867	37.8
89.02425	2.6
101.02428	1.8
110.50524	1.3
115.00359	28.3
129.01920	8.2
133.01474	1.8
145.06126	3.7
147.02980	100.0
147.06592	2.1
148.03304	3.0
149.04547	1.4
151.03914	1.6
169.01447	1.4
214.79605	1.4
223.70531	1.4
276.19797	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53764	0.6
59.01377	16.6
61.98537	0.9
61.98826	12.9
66.85647	0.7
69.77457	0.6
70.04202	2.2
70.04620	1.4
71.01376	6.1
72.99295	0.7
73.02938	2.1
74.73235	0.7
75.00871	7.0
83.01385	1.6
85.02930	2.6
85.80830	0.6
87.00849	1.9
89.02439	4.1
90.74689	0.6
93.03485	0.9
96.96022	1.2
98.20506	1.0
99.00861	1.0
101.02438	3.7
107.05046	0.8
111.00876	6.2
112.01173	0.8
113.02425	2.6
117.03455	9.5
119.03441	0.8
119.04391	0.7
119.05031	6.8
121.02914	0.9
127.51125	0.8
132.10986	0.6
133.02936	1.5
135.04507	4.3
145.02948	45.7
146.03302	1.9
149.02394	2.3
150.03270	0.9
151.04001	1.1
151.08635	0.8
161.02383	1.9
161.04567	1.4
163.03990	6.2
172.08765	2.3
179.03404	1.1
187.03970	0.8
191.05461	1.0
198.06676	9.4
209.11772	2.0
214.09831	1.7
241.07295	65.4
242.07883	17.0
243.08800	7.5
256.09705	2.5
257.10431	4.6
266.09326	0.8
269.10242	0.9
285.09933	9.4
299.11426	1.9
307.05466	0.7
307.08182	19.0
308.08731	1.3
311.11395	1.7
315.86020	0.8
353.12347	1.8
358.13110	0.9
359.13559	0.9
376.13809	2.8
377.14594	6.1
401.14465	4.2
403.19623	8.6
404.20023	0.9
419.09827	13.1
419.15604	100.0
420.10544	1.4
420.15915	7.2
463.17099	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.3
60.88712	0.3
61.98830	0.6
64.31078	0.3
69.16461	1.5
69.16897	1.3
71.01370	3.0
73.02953	0.4
83.01370	0.3
85.02959	1.0
89.02439	2.9
89.03939	0.3
95.01412	0.3
98.19920	0.6
101.02426	2.1
113.02444	1.0
117.03460	25.8
118.03822	0.8
119.03587	0.5
119.05021	12.3
121.02966	0.6
123.04527	0.3
125.02467	0.5
125.06065	0.7
133.06621	0.5
135.04536	0.3
145.02943	100.0
146.03290	3.2
147.04546	0.4
151.00365	0.6
161.02415	0.4
161.04860	0.3
161.06049	1.9
163.03998	19.2
164.04341	0.8
167.03525	0.3
177.05574	0.7
191.05571	0.6
205.05038	2.9
209.11896	1.9
235.06142	0.6
243.02916	0.6
255.02945	0.7
265.07083	1.2
269.50153	0.3
271.02435	1.9
274.43829	0.3
293.08752	0.6
300.02695	4.5
301.03506	2.0
307.08163	0.4
309.73300	0.3
311.07751	0.7
419.13263	0.4
463.09317	3.2
463.16034	56.4
464.09534	0.5
464.16309	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
58.00596	1.3
59.01376	100.0
60.01702	0.6
61.67965	0.5
61.98831	7.7
62.26223	0.6
69.76852	3.3
71.01376	16.6
72.99303	2.0
74.28909	0.5
75.00864	12.2
78.90076	0.5
83.01395	0.6
85.02929	3.1
87.00890	1.5
89.02438	26.8
93.73609	0.6
98.65388	0.6
99.00913	0.7
99.04542	0.7
101.02438	11.3
108.02151	0.8
109.02931	0.8
113.02449	8.4
119.03491	12.6
131.03502	1.3
135.04538	0.8
143.03485	3.7
145.02940	1.4
149.02446	0.6
149.04607	1.0
161.04555	4.0
165.09206	4.1
179.05606	11.1
211.13242	0.6
214.64615	0.6
241.14531	1.5
244.20670	0.6
375.12097	0.9
403.20084	1.9
403.52969	0.6
403.59677	0.6
463.17294	2.0
463.22983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2181
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
52.70123	0.4
55.01876	1.0
56.51274	0.5
57.03438	1.2
58.00596	3.0
59.01375	78.5
60.01724	0.9
61.98822	1.5
63.02387	0.6
67.82310	0.5
69.32433	3.9
71.01376	62.7
72.01717	0.9
72.99301	3.1
73.02943	20.5
73.03359	1.0
75.00868	1.4
80.02064	0.4
83.01375	2.6
84.94934	0.5
85.02944	10.1
87.00860	1.9
88.24682	0.5
89.02438	100.0
90.02745	1.1
93.96643	0.5
95.01375	2.6
97.02937	1.7
99.00872	31.7
100.01227	0.7
101.02434	46.3
102.02779	1.1
107.01413	0.5
113.02438	14.0
115.03985	1.6
119.03493	12.6
121.02957	1.5
125.02437	4.9
131.03493	18.8
131.04480	0.9
135.04520	1.7
143.03459	3.3
145.02951	2.0
149.04541	70.0
150.04869	1.3
151.00336	2.7
158.26074	0.5
161.02457	0.6
161.04558	4.3
178.99815	1.1
179.03490	0.9
179.05589	4.6
191.05594	15.5
221.06586	3.5
227.03465	0.7
233.06662	1.7
243.02827	2.5
251.07686	6.6
255.02962	7.1
256.03452	0.7
271.02444	15.0
272.02896	1.3
275.07697	0.5
293.08667	2.3
296.69397	0.6
300.02722	23.1
301.03433	11.6
302.03778	0.7
311.09857	0.5
331.17664	4.8
463.08786	18.4
463.21829	53.0
464.09036	2.1
464.22079	5.5
479.43542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66769	0.8
57.03426	1.8
58.00595	1.2
59.01377	100.0
61.98822	4.0
69.03465	1.1
71.01383	12.4
71.53113	1.1
72.99308	1.4
73.02943	1.3
83.01376	1.5
85.02940	3.3
87.00880	1.0
89.02431	6.1
95.01390	1.1
97.02936	2.5
97.46542	0.8
101.02439	7.2
107.17758	0.9
113.02426	3.2
115.04016	7.6
119.03481	3.2
125.09737	1.3
129.09203	2.9
133.02927	2.9
133.05083	1.8
141.12750	1.1
145.02986	1.6
161.02428	6.0
162.02768	2.4
163.02893	1.7
171.13879	3.3
185.11819	15.4
199.13411	8.2
209.11783	3.2
227.12868	8.3
240.03503	0.8
243.02948	1.2
255.02939	1.7
257.12933	1.1
271.02499	5.2
283.11758	1.3
283.19028	1.1
295.10349	9.8
300.02646	8.3
301.03415	5.1
301.20142	9.9
361.18607	1.4
362.00549	0.9
463.08582	5.9
463.15082	4.9
463.21732	42.6
463.26291	14.4
464.22012	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	463.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36653	0.2
54.58307	0.2
59.01376	100.0
60.01707	0.8
65.20517	0.3
69.21881	2.5
71.01388	1.6
85.02937	0.5
89.02441	1.4
98.20717	0.6
101.02466	1.2
113.02446	0.5
126.35653	0.3
129.09242	0.3
140.15620	0.3
148.75891	0.3
149.58495	0.4
151.00349	0.5
161.02449	0.4
167.29451	0.3
187.13477	0.7
229.61694	0.3
255.03090	0.4
271.02454	0.5
300.02850	1.2
301.03491	1.2
301.07010	0.4
301.20206	1.4
361.18622	0.9
403.19781	1.0
463.08835	1.3
463.25824	7.0
464.26016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03430	1.3
58.00579	1.3
59.01375	20.7
61.98822	0.7
62.07763	0.3
69.03455	0.8
69.24337	1.3
69.24766	1.6
71.01377	11.6
71.05014	1.0
72.99310	2.0
73.02936	1.5
83.01387	0.7
83.05011	1.7
85.02939	3.2
87.00870	1.2
89.01878	0.5
89.02438	8.9
93.03411	0.5
95.01403	1.0
96.57267	0.3
97.06567	0.4
99.00858	0.5
101.02428	7.2
107.05005	0.4
108.02197	0.7
111.04515	2.4
113.02439	4.5
119.03478	2.9
135.04500	0.8
147.04492	1.9
161.06073	1.5
163.14854	0.5
169.17271	0.3
171.13867	1.3
175.11276	0.3
185.11830	1.0
189.05539	0.5
199.13361	1.9
225.18649	0.4
227.12894	1.1
235.17290	0.3
237.18559	6.0
265.18048	1.5
283.19034	0.9
285.20746	0.6
301.03540	0.4
301.20172	26.3
302.20547	1.2
303.54770	0.3
339.44632	0.3
343.21329	0.5
344.41718	0.4
463.25519	100.0
464.25851	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56230	0.6
55.01863	0.8
57.03442	1.9
58.00585	1.5
59.01378	31.2
61.98815	0.7
64.29253	0.6
64.60988	0.5
69.03451	1.2
69.47382	1.3
69.47796	2.2
71.01378	16.8
71.15218	0.6
72.99306	2.7
73.02936	1.5
83.01353	1.3
83.05032	2.5
85.02937	4.2
87.00860	1.5
89.02444	12.1
95.01385	1.7
97.06559	0.7
99.00850	0.7
99.08122	1.0
101.02436	8.6
108.15836	0.5
111.04507	3.0
113.02438	5.5
119.03508	4.1
129.09184	1.3
135.11900	0.6
141.12862	1.8
161.04523	0.6
162.98805	0.5
169.12363	0.8
171.13875	4.6
185.11818	8.8
190.89467	0.7
191.05550	1.0
199.13393	9.6
209.11815	1.7
222.36646	0.6
227.12866	9.2
237.18573	5.4
238.18973	0.7
265.17990	1.5
283.19107	2.2
300.02695	1.1
301.03238	0.7
301.20160	30.3
302.20435	1.7
343.21378	0.7
393.58804	0.6
463.25916	100.0
464.26221	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	463.379
Annotation	Certonardosterol D3
Peak:m/z	Relative Intensity
54.21141	0.4
56.78894	0.4
61.98813	0.8
64.84193	0.4
71.51000	0.5
74.79379	0.4
78.04208	0.4
87.52963	0.4
99.89874	0.4
101.56666	0.5
120.05833	2.0
125.06064	2.7
130.65906	0.4
135.08151	12.9
136.08485	0.5
137.06090	1.5
138.06796	0.6
147.72411	0.5
151.07658	0.7
153.09195	0.7
160.04286	0.4
165.05565	1.1
170.05850	1.7
227.00217	0.5
259.08807	0.4
280.30173	0.5
326.63712	0.5
403.35672	1.6
405.33337	0.6
421.36893	22.6
422.37305	2.4
463.37906	100.0
464.38242	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	464.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81805	0.3
59.01381	0.5
61.31826	0.3
61.98826	100.0
64.30484	0.3
69.25766	1.7
69.26189	1.2
71.01392	0.7
102.51012	0.3
113.02470	0.3
140.21156	0.3
161.02472	0.5
191.05739	0.4
258.73090	0.4
300.75128	0.4
353.70120	0.4
394.68344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36761	0.3
52.76587	0.3
59.01375	15.2
61.98825	100.0
67.53351	0.3
69.45055	1.5
69.45463	0.6
71.01387	2.4
73.02938	2.7
75.50681	0.3
76.41696	0.3
83.01389	0.5
89.02443	1.2
101.02451	3.5
113.02448	1.5
119.03514	0.9
120.37371	0.3
125.02359	0.4
131.03560	0.4
143.03508	0.3
149.04543	0.4
151.64516	0.4
161.04594	1.0
180.51804	0.3
193.74414	0.3
195.19971	0.3
260.18741	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95662	0.3
59.01374	17.1
61.98824	100.0
69.45332	2.1
71.01381	2.0
73.02934	0.7
85.02955	0.7
88.97298	0.3
89.02425	0.4
101.02439	0.7
113.02449	0.4
115.40106	0.2
161.04573	0.9
189.69743	0.3
205.26160	0.3
300.02658	0.3
315.18015	1.7
357.19193	0.6
392.85501	0.3
437.88892	0.3
457.36053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77717	0.9
59.01376	19.9
60.99304	14.9
61.98821	10.5
65.03952	1.7
71.01375	5.3
71.50993	1.6
72.83819	0.8
72.99291	1.1
83.01463	1.0
85.02966	1.1
87.00886	2.7
88.98801	100.0
89.02446	11.5
89.99167	0.9
92.93822	0.9
101.02447	3.1
113.02425	2.5
119.03522	4.0
131.03493	0.9
135.08153	1.2
137.68828	1.1
139.03951	1.1
149.02374	1.1
149.09694	3.4
165.05568	1.1
167.10770	5.5
177.19467	0.9
179.05588	2.6
179.07086	1.2
183.06477	0.9
191.05605	1.5
225.15010	1.6
257.18924	0.9
285.06381	1.1
357.08667	0.9
375.12918	2.1
389.10849	2.6
405.21283	4.7
413.46756	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1397
Annotation	TERNSTROSIDE D
Peak:m/z	Relative Intensity
53.48288	0.5
55.55998	0.6
59.01375	10.1
61.98838	3.4
63.40107	0.6
64.00806	0.6
64.18672	0.6
65.00335	0.7
67.01890	2.6
69.03443	0.6
69.38389	4.3
71.01374	6.3
72.99289	1.0
73.02953	1.3
75.00875	1.7
81.03461	0.6
82.44755	0.5
83.01380	1.3
85.02951	2.3
87.00880	1.2
89.02443	3.6
91.01882	4.6
93.18925	0.6
95.01374	2.6
96.95975	1.0
101.02454	3.3
107.01378	2.2
107.05008	1.6
108.02168	100.0
109.03041	4.9
111.00833	3.1
113.02454	3.1
119.03495	1.6
122.03728	1.2
123.00899	3.9
123.04512	20.6
124.01653	1.0
124.04802	0.8
125.02396	3.0
134.03757	1.5
135.04518	11.0
138.03131	0.6
145.02931	1.1
150.03217	1.5
151.00368	8.2
152.01147	11.3
153.01971	3.9
153.05627	1.3
161.02409	0.7
164.01128	0.7
165.01941	0.6
166.02689	12.1
167.03482	71.3
168.03827	2.8
181.03467	1.0
181.05046	11.2
191.05606	2.9
194.02174	10.0
195.02946	2.4
209.04527	78.6
210.04916	4.7
213.08641	0.8
239.05556	11.3
255.05045	3.6
263.05600	0.8
268.96838	0.6
269.06631	23.5
270.06976	1.0
285.04074	1.1
311.07681	1.4
315.11075	0.6
319.06766	1.0
323.74448	0.7
465.13965	29.0
466.14215	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	465.1397
Annotation	Forsythenside B
Peak:m/z	Relative Intensity
56.92632	0.3
57.03452	0.6
58.00586	1.2
59.01377	43.3
60.01724	0.3
61.98827	5.3
62.14772	0.2
67.01920	0.2
71.01377	12.5
71.52121	0.3
72.99321	0.9
73.02947	3.7
73.03563	0.2
74.48245	0.2
75.00864	0.3
77.03971	1.3
83.01373	0.6
85.02947	3.0
87.00886	0.9
88.46649	0.2
89.02440	16.2
91.05560	0.3
93.03462	3.2
94.98100	0.6
95.01396	0.8
95.05022	6.2
96.96030	0.6
99.00897	0.3
99.04527	0.4
101.02435	8.3
101.03092	0.5
102.02840	0.2
103.04002	0.6
105.03468	2.4
107.05049	0.9
108.02168	6.8
109.02994	0.3
113.02444	5.3
115.84596	0.2
119.03490	8.3
121.02953	21.6
122.03272	0.6
123.04531	0.9
124.01546	0.3
125.02400	0.5
126.90410	0.3
127.87175	0.3
131.03488	0.8
134.03723	0.5
135.04515	7.4
136.04787	0.3
143.03497	1.4
145.02925	0.3
149.02431	100.0
150.02766	3.1
153.05571	1.4
159.63124	0.3
161.04562	1.4
167.10776	0.3
174.40379	0.3
179.05632	2.4
191.05661	0.6
192.74867	0.3
210.05531	0.3
273.08081	0.2
273.34674	0.2
285.04044	0.4
285.13470	0.3
301.13089	0.4
303.05136	0.3
303.18195	0.3
315.10831	1.5
375.16522	0.8
384.09677	0.2
405.21213	2.6
457.23990	0.3
465.23715	0.5
475.11694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1762
Annotation	Plagiochilin D
Peak:m/z	Relative Intensity
55.16191	0.5
59.01387	3.4
59.01645	0.5
59.82745	0.5
69.26491	4.0
71.01369	2.8
85.02955	1.6
89.02431	1.0
99.00892	0.8
101.02431	1.7
113.02470	1.1
117.03465	20.1
118.03787	0.6
119.05026	9.3
119.05811	0.7
145.02953	100.0
146.03323	2.8
157.08795	0.8
161.09383	0.6
163.04004	15.7
164.04378	0.6
194.25279	0.5
307.08298	0.8
465.17593	65.0
466.17975	6.3
494.01538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.0
67.64512	0.3
69.13754	2.3
69.14160	0.9
70.36932	0.3
70.53538	0.3
71.01377	2.6
73.02946	0.6
83.01364	0.3
85.02947	1.1
85.77144	0.3
89.02445	1.2
94.69189	0.3
98.19955	0.7
101.02444	1.9
111.04504	0.3
111.74626	0.3
113.02512	0.7
117.03459	24.5
118.03790	0.6
119.05015	10.2
136.07047	0.4
145.02946	100.0
146.03287	3.1
157.08713	0.7
161.04549	0.7
161.05989	0.3
163.03993	13.7
164.04315	0.4
173.75639	0.3
185.11702	1.4
204.87808	0.3
205.04930	0.3
207.55840	0.3
281.19101	0.3
309.13550	0.4
350.87250	0.3
381.73303	0.3
422.98694	0.3
465.17603	61.5
466.11450	0.4
466.17947	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	465.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91673	0.3
55.01873	4.2
57.03450	2.8
57.97755	0.4
58.00582	0.9
59.01377	32.1
60.07446	0.4
61.98823	0.7
69.03437	1.1
69.33025	3.1
71.01376	42.8
72.01721	0.6
72.99301	1.5
73.02943	23.8
75.00866	1.9
83.01377	8.3
85.02944	23.0
85.03472	0.8
86.00089	0.8
86.03275	0.6
86.92326	0.4
87.00871	3.3
89.02446	14.9
95.01388	3.2
97.02949	2.8
99.00880	9.8
99.04554	0.5
101.02438	41.7
102.02763	0.9
108.60329	0.4
109.54530	0.4
111.00875	3.2
113.02441	16.7
115.03997	1.4
117.03474	2.4
119.03483	1.8
119.05011	1.0
125.02448	3.8
129.01933	1.3
131.03503	3.4
133.02962	3.3
135.04567	2.0
141.01921	0.8
143.03467	1.5
145.02950	8.2
146.03299	0.6
149.04538	2.4
159.02991	3.0
161.02460	7.7
161.04533	12.4
161.05901	0.8
162.02765	0.5
163.03976	1.5
171.13927	0.7
179.03519	0.8
179.54631	0.4
185.11787	0.6
191.05589	2.9
203.03517	0.4
219.90982	0.5
226.69031	0.6
233.06728	2.6
234.89526	0.5
282.69528	0.4
293.08719	1.4
333.19159	50.1
334.19504	4.0
394.48987	0.4
405.21066	0.6
465.17590	10.9
465.23358	100.0
466.17731	1.0
466.23697	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	465.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.2
59.01377	100.0
61.98823	3.4
70.59109	2.3
71.01379	21.7
72.99316	1.7
73.02941	1.5
76.29377	0.8
83.01379	0.9
83.97913	0.7
85.02951	4.9
87.00867	0.9
89.02442	28.4
95.01387	1.5
99.00913	1.0
101.02433	12.3
105.93922	0.8
113.02441	9.6
114.96792	0.8
119.03497	12.9
131.03539	1.5
134.07365	1.5
137.09724	1.4
137.58055	0.7
139.07660	1.5
143.03490	3.6
149.02469	0.9
149.04544	1.3
149.09709	15.7
153.09200	8.9
159.02950	0.9
161.04543	10.2
167.10767	34.9
168.11107	1.4
179.05598	9.8
207.13914	1.4
209.11922	1.2
225.14926	5.8
243.16026	7.8
405.21271	41.3
406.21735	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	465.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.8
58.00578	2.8
59.01376	75.5
61.98825	20.6
69.44528	5.0
69.44953	4.2
71.01376	32.0
72.99308	1.7
73.02937	2.9
83.23960	1.3
85.02943	7.9
87.00866	2.6
89.01870	1.8
89.02438	33.7
90.02795	1.2
99.00871	2.1
101.02437	22.5
113.02452	16.6
116.92850	1.8
117.03461	18.9
119.03513	14.5
119.05018	10.8
121.02936	1.4
121.05085	1.8
122.02475	1.3
123.08183	1.4
125.06101	1.7
135.04501	3.0
143.03476	3.0
145.02946	100.0
146.03258	4.2
149.02388	1.7
157.16231	1.3
161.02400	3.8
161.04510	8.1
163.03998	23.2
164.04274	1.5
167.10765	3.1
172.91913	1.2
179.03448	1.4
179.05540	6.1
191.05643	4.2
197.08788	1.4
235.06187	1.6
243.15947	5.8
405.21262	82.1
406.21729	6.7
429.13971	86.5
430.14221	6.4
465.18021	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	465.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60524	1.0
55.01864	1.3
57.03441	7.1
58.00583	1.3
59.01375	100.0
61.98826	25.1
64.12859	1.1
69.90887	3.5
69.91292	1.9
71.01377	36.2
72.99310	5.1
73.02926	3.5
75.00854	1.5
80.31418	0.9
81.03436	2.2
83.01367	1.7
83.05019	1.8
84.10486	0.9
85.02940	9.3
86.79741	0.9
87.00854	5.4
88.41743	1.0
89.02436	40.7
95.01392	2.4
95.05006	1.7
96.96008	2.5
98.20619	2.2
99.00874	1.9
99.04515	4.5
100.46925	0.9
101.02438	20.2
108.02165	11.3
112.05323	1.0
113.02441	17.1
116.32725	0.9
119.03494	21.8
121.02917	2.5
123.04513	2.7
125.02431	3.1
127.00368	1.2
131.03474	2.4
135.04465	3.3
137.02463	1.1
139.74055	1.0
143.03484	5.9
143.74834	1.0
145.02951	2.3
149.02420	13.6
149.09691	20.8
151.03859	1.1
161.04555	10.2
167.03445	3.8
167.10759	33.8
171.10291	1.8
179.05595	14.8
191.05582	4.4
207.13896	1.9
225.14989	7.3
243.15991	5.7
253.07040	1.1
262.80942	1.1
267.68646	1.2
285.03854	1.6
303.04987	1.8
384.09943	2.0
405.21268	72.6
406.21600	6.9
465.19003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
61.79011	0.5
61.98825	100.0
66.60617	0.4
66.83490	0.4
71.01393	1.2
76.33798	0.6
77.69526	0.5
77.82534	0.5
79.25584	0.5
83.35574	0.5
83.41492	0.4
85.02972	0.5
87.00874	0.8
93.03430	2.5
96.96022	1.5
98.19864	1.3
101.02428	0.8
108.02197	0.4
113.70842	0.5
117.03455	0.6
125.02482	0.9
139.04021	0.8
145.02971	1.3
173.04572	1.7
187.07719	0.8
188.05222	0.5
191.05589	12.6
229.50774	0.7
257.08246	1.0
263.81665	0.6
286.04572	0.8
303.05139	0.5
304.05530	1.2
306.00851	0.6
403.12677	1.8
449.14648	1.7
466.10938	1.7
466.17612	1.0
467.15588	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	467.1209
Annotation	Leucodelphinidin 3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
55.01855	0.6
55.46300	0.5
57.03438	1.1
59.01372	4.9
61.98831	3.9
65.37440	0.4
67.01883	1.3
68.99815	3.6
69.03464	0.7
69.33179	3.4
71.01376	5.2
72.99297	0.9
73.02938	1.9
75.00864	3.1
75.78069	0.5
83.01369	1.8
85.02946	6.3
87.00855	4.2
89.02438	1.1
93.03462	5.3
95.01372	1.5
96.99334	0.5
97.02943	0.8
99.00869	6.2
99.04517	0.5
101.02434	2.8
103.05509	1.4
109.02947	1.1
111.00848	2.2
111.04506	1.4
113.02429	4.0
113.99586	13.2
114.00396	0.7
115.00373	5.8
117.03439	4.0
118.03771	2.4
119.04162	0.9
119.05013	2.3
120.05350	0.7
123.04389	0.5
125.02496	0.7
127.00371	3.2
129.01929	1.9
134.03740	1.3
137.02386	1.0
141.01918	0.5
141.12805	0.5
145.02950	17.5
146.03291	10.1
147.03476	3.8
147.04520	27.3
148.04828	1.2
157.01411	2.4
161.02396	0.6
161.06052	1.0
163.03970	2.0
164.04335	1.7
165.04419	1.2
169.01358	0.9
173.04549	3.6
174.01683	12.3
175.02438	1.4
179.03564	0.5
185.11795	1.3
186.12134	0.5
187.13414	6.2
191.05595	7.7
201.14989	3.0
253.95795	0.4
257.08231	1.1
259.04428	1.2
261.06622	0.5
267.49866	0.5
293.10187	0.6
319.06769	0.8
349.18640	2.0
407.09851	11.6
408.10284	0.7
449.14517	1.3
450.16333	2.2
466.17676	0.7
467.11896	100.0
467.18289	14.2
468.12265	9.7
468.18307	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	467.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57977	0.6
59.01372	4.9
61.98814	4.1
65.03955	0.7
67.47382	0.6
69.03443	0.5
70.42745	0.6
70.43077	1.7
71.01382	4.0
71.54797	0.7
72.99291	1.4
73.02930	1.9
75.00863	0.9
78.51416	0.5
79.63772	0.5
80.75881	0.6
82.02980	1.5
83.01370	0.9
84.04547	1.2
85.02937	3.9
87.00867	1.2
88.98773	3.7
89.02441	2.6
91.00394	1.0
92.05004	1.0
96.04491	0.6
96.96011	1.6
97.03026	0.9
99.00862	1.6
101.02455	2.0
108.02195	1.5
112.04039	0.9
113.02412	1.6
118.06606	2.1
118.97974	0.6
119.03524	0.6
120.08165	1.2
123.04481	1.0
130.83560	0.7
135.04529	1.0
151.04048	1.1
153.05615	0.9
159.02942	1.2
160.07732	0.8
161.04565	1.0
188.06979	0.6
191.05605	1.0
205.13422	2.4
218.08345	0.8
249.12407	9.3
252.67355	0.6
275.10367	1.0
293.11411	100.0
294.11703	6.4
339.77551	0.7
389.55322	0.7
405.13144	3.7
423.17587	0.7
431.15723	5.0
432.15656	0.8
467.15353	0.9
467.21298	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31372	1.7
53.77087	1.6
57.03422	2.6
59.01373	15.9
61.98827	15.7
69.66912	1.6
71.01377	99.0
72.99308	28.1
73.02927	2.4
85.02950	9.0
87.00872	34.3
89.02430	5.3
97.02929	2.1
101.02436	6.0
113.02416	3.6
115.00370	28.9
119.03493	2.3
125.25113	1.6
129.01949	10.8
145.06136	2.4
147.02979	100.0
147.06616	3.4
148.03310	1.9
149.04506	6.6
151.04002	3.5
159.02881	2.7
161.04575	2.3
186.59416	1.6
189.94539	1.6
236.58553	1.5
257.98892	1.5
277.26389	1.7
293.11441	4.2
305.15979	3.7
306.94089	1.7
431.15799	2.3
447.61575	1.8
467.21094	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	467.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
59.24744	0.3
59.81410	0.3
63.56827	0.3
66.08937	0.3
69.28753	2.4
71.01377	2.2
73.02954	0.5
85.02957	1.5
87.00875	0.4
89.02448	0.7
93.03455	1.0
99.00876	0.4
101.02438	1.5
112.48767	0.3
113.02461	0.8
117.03460	24.7
118.03790	1.2
119.05013	8.8
120.05381	0.3
135.04491	0.3
145.02942	100.0
146.03290	3.5
163.03998	11.4
164.04230	0.3
191.05605	3.2
208.60889	0.3
257.08032	0.3
440.61441	0.4
467.19177	63.1
468.19534	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	467.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.6
61.98805	0.7
67.01884	0.5
69.21638	0.6
69.22046	2.2
71.01012	0.3
71.01376	3.8
72.99283	0.9
73.02923	0.9
83.01357	0.4
85.02933	2.2
87.00865	1.0
89.02429	0.8
93.03447	4.1
95.01398	0.4
99.00835	0.4
99.93589	0.3
101.02434	1.8
102.86320	0.3
107.01379	0.4
108.02151	0.7
111.00851	0.3
111.04504	0.5
113.02425	1.2
117.03453	22.1
118.03826	0.6
119.05019	6.4
121.02967	0.3
123.04494	1.5
125.06102	0.4
133.02969	0.6
135.04439	0.4
137.02460	0.4
145.02942	100.0
146.03268	3.9
147.04514	0.3
151.00365	0.4
152.01114	0.6
153.05505	0.6
159.02957	0.5
161.04532	0.4
163.03995	8.3
165.05550	0.5
167.03506	4.5
168.03806	0.5
173.04573	1.8
173.05850	0.4
175.04007	1.3
187.04007	0.4
187.07632	0.8
191.05598	13.9
192.06000	0.6
193.05060	0.6
203.10759	0.7
209.04564	1.2
231.10283	1.0
253.07161	0.5
257.08304	1.0
275.09241	1.0
375.55731	0.4
449.14633	1.5
467.19461	60.5
468.19907	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2493
Annotation	Halisulfate 9
Peak:m/z	Relative Intensity
51.70186	0.5
55.01870	3.5
57.03447	2.3
58.00576	1.2
59.01375	28.8
60.01690	0.7
61.98825	15.7
65.25019	0.4
67.01880	2.0
69.03450	1.7
71.01379	37.3
72.01703	0.6
72.58546	0.5
72.99300	3.7
73.02942	20.1
73.03365	1.0
75.00858	1.9
81.03439	0.9
83.01384	9.3
85.02946	24.9
86.00094	0.8
87.00870	5.4
88.83623	0.5
89.02439	8.7
90.20802	0.5
93.03445	10.8
95.01373	2.4
97.02943	2.1
99.00873	9.7
99.04509	0.6
101.02436	41.4
102.02760	0.7
105.82029	0.6
111.00852	3.7
111.04542	2.5
113.02442	15.0
115.04008	1.5
119.03490	0.8
125.02460	2.3
129.01927	1.6
131.03523	2.9
133.02982	0.7
134.03708	3.4
135.04507	1.3
137.02406	2.2
141.01997	0.7
143.03493	2.0
145.02928	1.4
149.04575	1.6
151.04010	0.9
155.03476	0.7
159.02951	3.0
161.02498	1.2
161.04530	9.9
171.13901	0.8
173.04539	7.7
173.15427	1.1
178.02702	0.9
179.03366	0.6
187.13397	5.6
191.05583	14.0
191.07167	0.9
231.10144	0.9
233.06644	2.2
239.00204	0.5
239.42680	0.5
257.08215	2.3
263.12817	1.3
275.09183	0.7
275.15027	7.2
293.10672	1.1
335.20709	45.0
336.21140	2.7
407.19214	6.2
449.14282	3.2
450.14737	0.7
467.15842	5.1
467.24933	100.0
468.15491	1.0
468.18619	0.7
468.25241	9.5
469.71985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34854	0.2
59.01376	2.6
61.98828	100.0
69.44780	0.4
69.45181	1.4
71.01387	1.8
72.99306	0.4
73.02984	0.3
74.99059	0.3
85.02973	0.7
89.02433	1.7
96.96055	0.3
101.02459	1.5
108.02164	0.5
113.02450	0.6
119.03524	0.4
131.03485	0.4
135.04501	0.3
135.31938	0.2
149.02444	0.3
149.04568	0.9
153.05594	0.7
154.05997	0.3
156.05080	0.2
159.02971	0.8
161.04567	0.4
165.01920	0.5
165.05528	0.3
188.82362	0.3
191.05695	0.3
195.06657	0.7
307.13858	0.4
324.98138	0.2
408.22211	0.2
409.17322	0.7
468.15692	0.5
469.17346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
61.98826	100.0
69.54957	1.0
69.55376	0.3
71.01369	0.3
73.64243	0.2
75.23735	0.2
89.02483	0.3
96.96011	0.3
98.19913	0.4
139.08803	0.2
143.29875	0.2
165.01942	0.5
180.04385	0.4
195.06659	0.7
225.07578	0.2
232.06140	0.2
490.76434	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.7
59.03523	0.2
60.01716	0.3
61.70726	0.3
61.98826	100.0
62.98532	0.3
71.01382	1.3
71.52203	0.3
72.99298	0.6
73.02966	0.8
85.02930	0.6
87.00890	0.4
88.98813	0.6
89.02432	1.5
93.40611	0.2
96.95994	0.3
99.00864	0.7
101.02419	1.4
108.02179	0.8
111.00903	0.8
113.02446	0.7
119.03477	0.4
123.04525	0.5
127.00480	0.3
129.01913	0.6
131.03490	0.4
135.04497	0.6
136.04912	0.3
137.02457	1.0
142.95953	0.3
149.04559	0.7
153.05566	0.8
154.05913	0.6
157.96783	0.3
159.02983	2.3
160.03287	0.7
165.01959	0.3
167.10785	0.3
191.05556	0.4
194.69214	0.3
197.50958	0.3
201.05534	0.3
207.86829	0.2
258.30563	0.3
298.60361	0.3
359.92676	0.3
404.17499	0.3
409.16980	0.4
432.15881	0.3
433.13785	0.3
454.49307	0.2
468.15936	0.9
469.18130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60056	0.7
55.01874	1.3
57.03434	1.0
58.00586	0.7
59.01377	10.5
61.98817	1.2
65.00333	0.7
65.52229	0.8
67.01894	1.6
70.26249	0.6
71.01377	8.8
72.99321	0.8
73.02940	2.2
74.28658	0.7
80.10341	0.6
81.03454	1.3
83.01379	2.0
85.02959	3.3
87.00898	0.9
89.02439	4.0
91.01886	6.4
95.01366	1.8
99.00877	0.7
101.02433	6.6
107.01391	4.7
108.02200	4.1
109.02942	1.2
109.06561	1.2
111.00890	2.2
111.04499	1.9
113.02438	4.3
117.03452	1.4
119.03518	0.9
119.05039	1.0
123.00892	3.9
123.04513	28.6
125.02424	2.0
133.02950	0.7
134.03717	1.6
139.07600	0.9
145.02962	4.1
146.03270	2.1
151.00348	5.7
152.01154	8.1
153.01897	2.2
157.08661	2.8
159.20174	0.7
160.01637	1.5
160.38649	0.7
161.02467	1.2
161.04488	0.8
163.03972	1.3
164.04515	0.7
166.02652	1.8
167.03481	85.2
168.03821	2.5
175.04004	0.7
191.05620	0.8
193.04984	1.0
194.02110	0.7
195.02980	1.3
196.29662	0.7
204.13831	0.7
209.04558	2.8
251.05690	1.8
255.05046	1.0
293.08762	3.3
296.05215	1.0
311.07748	2.3
454.14893	0.7
469.17111	100.0
470.17429	9.6
491.02121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3318
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
57.03445	6.6
60.99295	0.3
61.98820	0.5
68.13583	0.3
71.52073	0.4
77.87428	0.2
97.06575	0.3
292.37640	0.3
293.12732	0.3
325.61002	0.3
365.28165	0.4
391.30215	0.4
405.31830	0.6
425.34207	4.6
426.34552	0.5
439.32349	0.7
451.32126	0.8
457.32861	0.3
469.33167	100.0
470.33514	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	469.3318
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.54055	0.1
54.27735	0.1
58.00603	0.2
59.01371	0.2
61.98798	0.2
71.51826	0.2
78.37966	0.1
98.48515	0.1
98.76461	0.1
195.01765	0.2
250.85370	0.2
303.32071	0.1
355.26306	0.2
369.28046	0.4
389.28836	0.2
394.63654	0.2
421.31073	0.4
423.32809	1.2
424.33066	0.2
425.34244	0.4
450.53009	0.1
469.33157	100.0
470.33517	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	469.3318
Annotation	Enoxolone
Peak:m/z	Relative Intensity
70.83479	0.8
95.45884	0.4
120.94352	0.4
157.69815	0.4
245.08688	0.4
250.05017	0.4
289.21689	1.7
393.27899	2.8
398.29898	0.4
407.29504	2.3
409.31232	2.2
423.32642	60.4
424.32867	6.0
425.34253	2.9
469.33167	100.0
470.33560	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	469.3318
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
61.59643	0.3
61.98841	0.3
71.15218	0.6
85.06554	0.4
94.84421	0.2
97.06582	0.7
103.79405	0.3
110.91523	0.2
126.81954	0.2
241.21706	0.2
303.36172	0.2
306.52850	0.2
307.51236	0.2
308.19904	0.2
375.26755	0.4
389.28461	0.5
391.30206	2.2
393.31589	3.9
394.31808	0.3
395.33389	0.3
407.29843	0.2
413.73636	0.3
423.33279	1.1
425.30414	1.2
437.30527	6.2
438.30850	0.8
439.32166	2.0
451.32086	0.4
469.33167	100.0
470.33508	12.2
470.40292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01072	1.2
59.01375	32.8
61.98825	100.0
70.26548	1.8
71.01377	2.6
73.02948	1.4
85.02972	0.7
87.00886	0.8
89.02444	0.8
101.02431	2.5
105.01947	0.8
113.02452	1.2
121.65271	0.5
141.09283	0.6
321.19281	2.2
363.20471	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01072	1.2
59.01375	32.8
61.98825	100.0
70.26548	1.8
71.01377	2.6
73.02948	1.4
85.02972	0.7
87.00886	0.8
89.02444	0.8
101.02431	2.5
105.01947	0.8
113.02452	1.2
121.65271	0.5
141.09283	0.6
321.19281	2.2
363.20471	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59705	1.4
55.01875	2.6
59.01381	5.6
61.98828	3.2
65.03966	1.9
67.01879	1.7
69.03431	2.9
71.01385	6.1
71.51543	2.6
72.99313	3.4
80.91686	3.7
81.03478	3.3
83.05021	5.9
84.67097	1.7
85.02940	6.1
87.00864	35.7
89.02452	5.8
91.05553	4.6
93.03447	27.9
95.01379	2.4
95.05002	9.6
96.96022	2.6
97.02985	4.1
99.00863	16.2
99.04482	1.9
103.90824	1.6
105.03421	1.5
107.05014	10.9
108.02168	100.0
109.02968	14.5
109.06583	3.6
111.00860	6.1
111.04518	30.0
113.02431	9.8
119.05035	20.9
121.02934	6.0
121.06607	4.0
122.03735	3.3
123.04525	25.4
125.02441	14.9
125.06063	4.7
127.04012	2.5
129.01892	1.8
134.03743	4.6
135.04512	45.7
136.04938	1.8
137.02435	9.4
137.06064	10.7
137.69258	1.8
139.00374	3.9
139.03992	5.8
149.06079	5.4
151.04057	2.6
153.05563	41.0
154.40404	1.6
155.03510	15.8
161.02322	2.2
162.54857	1.6
163.04034	8.1
165.05553	4.3
167.03481	2.8
167.07089	2.3
177.01942	7.6
179.03482	6.9
181.01428	2.1
181.05109	4.4
183.03004	2.0
183.06599	2.2
185.04599	2.8
191.05637	3.3
193.05052	4.4
197.04520	2.7
207.02986	23.1
209.04611	3.0
211.06111	2.5
249.03719	1.8
249.07680	2.8
254.42973	1.6
289.05582	1.7
297.71579	1.7
300.32999	2.0
302.80637	1.6
324.63220	1.9
361.09262	7.4
383.09732	10.4
453.10373	12.5
454.10843	2.4
471.11115	4.2
471.17346	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	471.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
59.01378	8.9
61.98833	3.5
62.55813	0.5
69.48562	2.2
69.48975	1.1
71.01377	5.0
73.02943	1.5
80.90225	0.7
82.95416	1.2
85.02951	2.1
87.00853	0.8
89.02449	1.5
101.02455	5.6
113.02470	1.8
117.03463	23.5
119.05019	16.9
123.04485	0.8
125.02447	0.6
125.53871	0.5
128.03543	0.7
129.01987	0.8
133.02963	0.7
133.06604	0.8
134.03745	1.2
135.04518	1.5
143.20921	0.6
145.02946	100.0
146.03281	4.2
149.06114	0.5
151.00351	0.7
161.02438	2.1
161.04547	1.3
161.06001	1.0
163.04001	27.0
163.05997	3.5
164.04361	0.8
167.03494	1.7
177.05521	0.7
179.03351	0.8
180.99644	0.6
193.05011	3.0
205.05002	1.1
243.57571	0.5
265.07162	1.2
279.14642	0.6
289.54150	0.6
325.11343	2.1
367.10260	0.7
381.12033	1.0
411.18860	1.2
427.12350	0.8
471.14862	67.6
472.15335	7.4
491.81549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
55.29163	0.6
58.00587	1.1
59.01377	100.0
59.98503	1.0
61.98820	1.7
69.03453	1.3
69.36398	3.2
69.36801	1.3
71.01380	30.4
71.98985	0.6
72.99304	0.8
73.02942	55.0
74.03297	0.9
75.00879	0.9
81.03448	0.8
81.07098	1.2
82.06490	0.7
83.01384	14.5
83.05013	0.7
85.02949	4.0
86.31614	0.6
87.00893	1.1
89.02430	5.7
95.01416	0.9
99.00916	0.6
99.04520	8.5
101.02442	41.9
108.02169	1.0
111.04518	1.4
113.02445	11.0
113.03162	0.9
119.03526	2.2
119.05022	1.7
125.02383	1.3
131.03506	3.2
143.03522	2.9
145.02966	1.4
149.04582	3.0
150.06888	1.5
155.03493	1.3
161.04561	8.8
161.13348	17.9
163.04045	1.3
187.11330	2.4
191.05643	0.7
200.24709	0.7
203.05627	0.7
205.12317	50.1
206.12631	3.1
221.06642	1.6
249.11305	60.0
250.11649	3.3
471.18521	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	471.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.3
59.01376	100.0
61.98820	4.5
65.03951	2.2
69.03427	1.4
69.42563	3.9
69.42983	6.2
71.01376	20.6
73.02940	13.1
75.00874	3.8
80.91646	1.5
80.96504	5.5
83.01394	4.3
84.49749	1.2
85.02951	6.7
87.00867	2.1
88.98808	1.4
89.02445	6.9
95.01349	2.0
99.00930	1.6
101.02458	11.2
113.02437	8.7
119.03505	2.9
119.05016	4.0
125.02425	2.3
125.06072	2.0
133.99210	1.3
134.03743	1.4
135.04466	2.6
136.05276	1.7
138.06847	7.3
139.04018	1.9
139.07623	2.6
145.02925	4.6
147.04482	6.4
151.07666	6.9
152.08430	22.6
153.09213	39.4
160.01659	1.8
161.02483	6.6
161.04553	5.5
161.05920	1.7
163.04001	5.2
163.11333	1.9
164.51393	1.2
164.98605	1.9
165.05528	1.8
175.03947	3.5
179.03481	2.9
179.05591	2.8
183.19252	1.3
190.09991	1.6
193.05002	2.1
205.12358	12.9
223.13322	5.3
235.06126	2.2
242.87027	1.4
253.87190	1.5
291.02884	1.4
309.11804	3.0
325.11340	4.7
345.12051	1.5
367.17557	27.2
368.18240	1.7
385.18646	4.8
389.10898	1.5
427.19705	6.0
471.15030	19.5
491.66180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.3
59.01376	100.0
61.98820	4.5
65.03951	2.2
69.03427	1.4
69.42563	3.9
69.42983	6.2
71.01376	20.6
73.02940	13.1
75.00874	3.8
80.91646	1.5
80.96504	5.5
83.01394	4.3
84.49749	1.2
85.02951	6.7
87.00867	2.1
88.98808	1.4
89.02445	6.9
95.01349	2.0
99.00930	1.6
101.02458	11.2
113.02437	8.7
119.03505	2.9
119.05016	4.0
125.02425	2.3
125.06072	2.0
133.99210	1.3
134.03743	1.4
135.04466	2.6
136.05276	1.7
138.06847	7.3
139.04018	1.9
139.07623	2.6
145.02925	4.6
147.04482	6.4
151.07666	6.9
152.08430	22.6
153.09213	39.4
160.01659	1.8
161.02483	6.6
161.04553	5.5
161.05920	1.7
163.04001	5.2
163.11333	1.9
164.51393	1.2
164.98605	1.9
165.05528	1.8
175.03947	3.5
179.03481	2.9
179.05591	2.8
183.19252	1.3
190.09991	1.6
193.05002	2.1
205.12358	12.9
223.13322	5.3
235.06126	2.2
242.87027	1.4
253.87190	1.5
291.02884	1.4
309.11804	3.0
325.11340	4.7
345.12051	1.5
367.17557	27.2
368.18240	1.7
385.18646	4.8
389.10898	1.5
427.19705	6.0
471.15030	19.5
491.66180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.9
57.03455	4.1
59.01377	48.7
61.98821	6.9
69.03439	2.7
71.01376	54.8
72.99277	2.5
73.02940	22.7
73.11437	1.7
75.00894	1.6
80.96517	4.6
83.01378	10.4
85.02954	23.4
87.00877	3.9
88.98749	1.9
89.02450	10.2
93.03446	5.1
94.98118	2.0
95.01409	4.1
99.00871	8.7
101.02431	48.9
108.02168	14.1
110.95502	1.6
113.02448	24.6
117.03380	2.3
119.03532	1.7
119.05022	2.7
121.06565	2.9
121.68690	1.6
122.10810	1.9
123.04480	2.0
125.02445	1.8
129.01923	3.2
131.03516	2.0
133.01395	2.3
134.03773	2.6
135.04482	3.3
137.02443	9.8
139.04030	4.8
143.03462	2.4
145.02989	10.9
149.06131	2.3
151.04053	2.2
152.01231	2.4
159.03020	3.2
161.02451	8.1
161.04549	21.1
163.03993	5.2
165.05550	2.3
167.03510	6.8
175.03970	3.7
179.03500	9.2
191.05559	2.6
193.04922	3.3
198.77052	1.8
203.75081	2.0
209.04547	2.7
218.45692	2.0
225.00536	2.4
231.10194	3.4
235.06108	2.0
239.05521	5.8
268.20102	1.7
279.14474	97.3
280.14694	4.5
309.11890	3.0
325.11414	3.7
399.53040	2.0
411.18680	100.0
412.18866	7.4
435.12961	14.5
471.14252	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	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07048	0.3
57.03442	1.0
59.01375	100.0
60.01711	0.9
61.98828	0.4
69.30221	1.9
69.30630	0.6
71.01373	1.8
73.02941	1.1
80.80988	0.4
83.01424	0.4
85.02964	0.3
95.41549	0.3
101.02455	0.7
113.02489	0.6
128.91156	0.4
161.04500	0.4
183.09996	0.3
192.11623	0.5
203.05637	1.7
207.13887	4.8
318.37747	0.3
437.21646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96430	0.3
59.01376	100.0
60.01712	0.8
69.59435	0.8
69.59853	0.7
70.78855	0.3
71.01382	0.9
73.02946	1.3
75.86646	0.3
81.33773	0.3
83.01373	0.6
89.02433	0.4
101.02455	1.8
113.02467	1.1
131.03574	0.3
147.20569	0.3
154.34937	0.3
161.04515	0.5
255.25522	0.3
297.20932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
57.03440	2.4
58.00584	1.1
59.01375	18.2
59.46278	0.4
61.98819	0.6
69.03452	0.6
70.90098	0.5
70.90417	0.6
71.01379	14.2
72.99306	0.9
73.02934	1.6
74.36453	0.3
81.76588	0.4
83.01380	0.9
83.05007	0.4
85.02951	3.0
87.00874	1.1
89.02436	6.2
95.01340	0.7
97.06574	1.0
99.00869	1.2
101.02437	6.0
111.08150	0.8
112.40417	0.4
113.02435	4.0
119.03509	2.1
123.43937	0.4
125.09708	0.4
139.11247	0.6
151.11285	2.9
153.09261	0.8
162.05312	0.5
165.12791	0.7
167.14383	0.5
169.12338	0.9
171.10231	0.4
177.12836	0.4
181.12349	0.7
183.13966	0.4
195.13930	0.4
197.11803	8.8
199.13406	3.1
211.13365	23.4
212.13702	1.3
223.13451	0.4
227.13008	0.4
247.20651	0.8
253.14333	0.5
263.20145	1.0
273.18576	0.9
291.19626	28.7
292.19952	1.9
293.21100	0.9
309.20688	2.6
361.18677	0.5
471.25919	100.0
472.26242	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	471.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
79.47336	0.1
118.80988	0.1
226.44305	0.1
230.27293	0.1
241.87816	0.1
263.05496	0.2
331.83255	0.1
407.62698	0.1
423.32666	0.3
471.34741	100.0
472.35114	11.6
472.42114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
59.01368	0.3
61.98819	0.1
76.11834	0.1
84.84223	0.1
85.02969	0.1
96.11214	0.1
123.59949	0.1
137.64896	0.1
208.18423	0.1
209.42009	0.1
299.81497	0.1
471.34741	100.0
472.35092	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	471.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00374	0.4
167.71565	0.2
185.00133	0.2
200.41039	0.2
214.52434	0.2
423.32474	0.2
471.34729	100.0
472.35083	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	471.3475
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
61.98820	0.8
69.30279	1.5
69.30707	0.8
85.05609	0.3
183.99252	0.3
206.44336	0.3
209.49391	0.3
228.26393	0.3
471.34760	100.0
472.35159	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	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55887	0.4
59.01378	0.7
61.98823	0.6
65.32288	0.4
71.51435	0.5
110.47044	0.4
114.95210	0.3
213.40221	0.4
332.57480	0.4
396.75330	0.4
398.38480	0.4
407.33203	1.4
425.33960	0.7
427.35785	20.4
428.36096	2.5
453.33694	2.2
471.34766	100.0
472.35107	12.3
499.45178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74290	0.3
57.79383	0.3
59.01369	0.5
61.98840	0.5
65.41189	0.3
69.18529	1.6
69.18949	1.2
97.26418	0.3
132.03775	0.3
407.33197	0.7
411.32861	0.7
427.35703	9.7
428.35916	1.4
453.33633	7.4
454.34314	0.9
471.34726	100.0
472.35089	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	471.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.2
59.01360	0.5
61.98819	0.1
63.04994	0.1
63.98236	0.1
69.43711	0.3
69.44123	0.4
83.97050	0.1
94.98264	0.1
129.17786	0.1
167.61052	0.1
185.43460	0.1
220.17258	0.1
222.56165	0.1
374.12717	0.3
377.28403	0.2
393.31659	0.5
423.32700	0.9
447.70679	0.1
471.34735	100.0
472.35098	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	471.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74250	0.2
71.06939	0.3
71.07276	0.2
72.42796	0.2
116.27925	0.2
119.10915	0.2
253.69731	0.2
260.54260	0.2
269.80072	0.2
317.88687	0.2
377.28781	0.2
393.31604	0.5
417.40790	0.2
423.32571	0.6
471.34741	100.0
472.35092	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	471.3476
Annotation	Triptotriterpenic acid B
Peak:m/z	Relative Intensity
59.01335	1.4
60.99304	7.7
61.52421	0.4
61.98799	0.5
69.03458	6.6
70.56136	0.7
71.04969	1.1
76.98748	0.7
80.02625	1.0
81.03394	0.3
88.42480	0.3
94.77805	0.4
137.09616	1.0
137.70033	0.4
149.09641	0.9
162.83833	0.4
185.54050	0.4
195.00841	0.4
289.48776	0.4
359.29575	0.7
365.28256	0.6
375.26813	1.1
377.28479	1.5
391.30060	8.4
392.30225	0.9
393.31467	1.6
405.31656	0.9
407.33154	55.6
408.33508	7.4
409.34714	9.9
410.34985	1.5
421.31168	0.8
423.32855	1.9
427.35934	4.7
428.36194	0.6
435.29016	0.4
437.30548	1.6
441.33691	3.8
442.33514	0.4
453.33780	11.8
454.34048	1.5
471.34766	100.0
472.35120	13.1
485.32794	1.3
486.33017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3475
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
60.99286	0.7
70.81830	0.8
71.05014	0.5
82.41800	0.3
83.05013	1.1
84.78628	0.2
87.16755	0.3
97.06557	0.5
98.20601	0.3
135.01547	0.2
143.96428	0.3
147.13705	0.3
154.20374	0.2
247.80710	0.3
298.85791	0.2
306.92258	0.3
391.29947	0.8
399.32404	0.3
407.33188	8.2
408.33490	0.8
409.30734	1.8
411.32602	2.5
423.32660	1.0
425.34335	2.3
426.34375	0.4
427.35666	2.3
428.36600	0.4
441.33505	0.4
451.32001	0.5
453.33734	0.8
471.34744	100.0
472.35086	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	471.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95102	0.3
70.53630	0.2
71.28703	0.3
71.29040	0.4
73.57005	0.2
243.30522	0.3
407.33194	4.0
408.33621	0.5
439.32257	0.6
444.71545	0.3
451.31964	0.3
453.33649	1.1
469.33176	1.3
471.34766	100.0
472.35098	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	471.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01231	1.3
71.04922	0.7
71.05266	0.3
73.41473	0.3
73.95258	0.3
85.52022	0.3
97.06421	3.8
115.55399	0.3
115.96889	0.3
151.72787	0.3
159.11761	0.3
176.97522	0.3
178.92320	0.3
206.86844	0.3
330.80310	0.3
373.25146	0.5
375.27292	0.4
389.28445	1.4
391.30029	5.3
392.30295	0.4
405.31647	4.8
406.31635	0.6
407.33145	13.1
408.33405	0.9
423.29056	1.0
437.30673	0.8
439.32150	1.3
441.33597	2.8
442.34033	0.5
451.32135	11.7
452.32559	1.6
453.33704	61.8
454.34103	8.5
471.34766	100.0
472.35092	12.0
497.32724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66940	0.2
60.99296	0.2
69.26356	0.4
69.26768	1.1
72.75329	0.2
79.07053	0.2
86.67348	0.2
97.06572	0.8
98.19916	0.3
116.14188	0.2
154.69722	0.2
389.28470	0.4
391.30069	1.0
405.31531	1.2
406.32169	0.2
407.33109	2.2
408.33572	0.2
423.28903	0.3
441.33884	0.4
451.32114	2.6
452.32797	0.2
453.33688	11.0
454.34122	1.3
469.33414	0.2
471.34735	100.0
472.35086	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	471.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76463	0.2
70.18209	0.8
101.65897	0.2
103.42030	0.2
108.55890	0.2
125.50700	0.2
125.54285	0.2
129.24144	0.2
326.96045	0.2
347.71671	0.2
393.31464	0.5
438.23227	0.2
471.34744	100.0
472.35117	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	473.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97723	0.7
55.01846	0.8
59.01379	19.7
61.98812	3.1
65.79802	0.7
68.45374	0.7
69.03447	0.7
71.01380	9.3
71.53090	0.9
72.99284	3.5
73.02937	2.1
74.83319	0.7
75.00867	4.0
78.07602	0.7
82.66125	0.7
85.02940	3.6
87.00840	2.3
88.98796	1.1
89.02437	8.1
93.03432	1.2
99.00845	1.1
101.02441	7.2
109.02954	1.7
113.02448	5.7
117.02660	1.6
117.03463	25.7
118.03763	1.5
119.03484	2.9
119.05007	19.0
131.03516	0.9
132.05765	1.1
133.02925	2.5
133.06592	2.1
134.03772	4.1
135.04501	4.5
145.02945	100.0
146.03265	3.3
149.04614	0.9
149.06038	1.5
150.45107	0.7
153.01901	1.9
160.01657	1.8
161.02463	5.9
161.04808	0.9
161.06036	4.6
163.03996	35.0
164.04373	1.5
165.07629	2.6
175.03989	2.5
177.02068	0.8
177.05569	3.3
179.03488	4.0
179.05685	1.0
191.05534	6.5
191.07108	1.6
192.05943	1.2
193.05023	2.3
205.05051	4.5
221.04558	1.2
235.06097	4.6
265.07108	3.5
297.08182	2.8
307.08121	1.2
311.09705	13.5
311.59579	1.5
314.78934	0.8
455.15762	3.7
473.17200	60.6
474.17477	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97723	0.7
55.01846	0.8
59.01379	19.7
61.98812	3.1
65.79802	0.7
68.45374	0.7
69.03447	0.7
71.01380	9.3
71.53090	0.9
72.99284	3.5
73.02937	2.1
74.83319	0.7
75.00867	4.0
78.07602	0.7
82.66125	0.7
85.02940	3.6
87.00840	2.3
88.98796	1.1
89.02437	8.1
93.03432	1.2
99.00845	1.1
101.02441	7.2
109.02954	1.7
113.02448	5.7
117.02660	1.6
117.03463	25.7
118.03763	1.5
119.03484	2.9
119.05007	19.0
131.03516	0.9
132.05765	1.1
133.02925	2.5
133.06592	2.1
134.03772	4.1
135.04501	4.5
145.02945	100.0
146.03265	3.3
149.04614	0.9
149.06038	1.5
150.45107	0.7
153.01901	1.9
160.01657	1.8
161.02463	5.9
161.04808	0.9
161.06036	4.6
163.03996	35.0
164.04373	1.5
165.07629	2.6
175.03989	2.5
177.02068	0.8
177.05569	3.3
179.03488	4.0
179.05685	1.0
191.05534	6.5
191.07108	1.6
192.05943	1.2
193.05023	2.3
205.05051	4.5
221.04558	1.2
235.06097	4.6
265.07108	3.5
297.08182	2.8
307.08121	1.2
311.09705	13.5
311.59579	1.5
314.78934	0.8
455.15762	3.7
473.17200	60.6
474.17477	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16829	1.8
57.03429	2.3
59.01379	100.0
61.98835	9.5
65.22408	1.7
71.01376	21.8
72.70930	1.6
72.99310	2.3
73.02946	24.1
80.34191	1.7
83.01396	8.0
85.02941	7.5
87.00861	12.8
88.98788	2.1
89.02453	12.6
99.00854	2.7
101.02435	20.4
102.22456	1.6
102.23186	1.7
103.29115	1.5
108.87251	1.6
111.00891	2.4
113.02454	7.2
119.03489	5.8
119.05004	4.0
127.00375	3.7
131.03477	1.9
132.02158	5.5
133.02974	2.3
134.03743	13.4
135.04483	7.0
140.94203	1.7
141.37885	1.7
145.02960	8.2
154.60374	1.7
159.02995	2.3
160.01656	31.5
161.02385	5.2
161.04535	3.3
163.04005	5.0
163.11282	42.4
175.04013	33.0
176.04601	1.8
179.03450	4.3
191.05640	8.2
193.05038	20.1
229.01315	2.1
235.06160	2.8
314.15005	1.8
387.16446	8.8
395.16840	2.2
413.18106	2.5
418.47839	1.9
429.17603	91.2
430.17838	6.5
473.16711	42.7
474.17560	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	473.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48512	1.3
59.01376	100.0
61.98824	2.6
64.73158	1.2
67.15459	1.5
69.32256	10.7
71.01379	15.5
72.99282	4.5
73.02943	9.3
83.01390	4.1
85.02917	6.4
87.00839	2.1
88.98776	2.4
89.02441	9.4
93.03446	11.8
95.82403	1.2
96.96004	3.7
101.02425	9.9
108.02197	6.1
113.02445	7.4
117.03505	3.3
119.03461	3.0
132.02180	6.4
133.02907	1.2
134.03740	21.1
135.04520	2.6
135.06622	1.7
136.01631	1.3
137.02441	22.1
137.09721	2.0
145.02963	1.6
149.06108	2.6
150.03221	1.6
151.03989	1.4
160.01646	40.6
161.02341	2.4
161.04556	4.2
175.03984	45.0
179.03474	8.5
186.08424	1.3
189.12816	5.5
189.14368	1.4
191.05559	4.8
191.07121	1.7
193.05060	22.2
198.86215	1.4
203.05531	2.7
205.05167	1.9
207.13902	4.7
229.79539	1.3
230.33580	1.4
235.06102	4.1
239.05542	3.0
240.04092	1.9
241.04938	2.1
243.02994	2.9
285.04086	3.2
310.08463	1.6
429.16705	1.7
435.12720	3.1
437.14511	27.2
438.14944	2.7
473.10669	11.3
473.16577	54.8
474.16800	4.0
497.35400	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70760	0.6
56.39756	0.6
57.03440	1.0
59.01377	100.0
60.01715	0.6
61.98832	9.5
69.03458	0.8
69.28028	5.1
71.01377	12.7
72.99288	0.9
73.02936	10.5
83.01403	2.6
85.02941	4.1
86.77710	0.7
89.02436	4.8
89.79036	0.6
95.01387	1.1
97.02934	0.7
101.02442	15.3
109.02944	1.2
113.02453	10.1
119.03529	2.6
123.08252	0.6
125.02474	0.8
131.03491	1.5
139.11333	0.9
143.03523	1.7
149.04622	2.0
161.02473	1.0
161.04559	3.1
179.05647	0.7
181.01410	0.7
183.10367	1.6
186.51875	0.6
225.11421	0.6
307.10559	0.9
351.25259	0.6
413.22079	1.1
473.20309	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	473.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43306	0.4
59.01377	100.0
60.01715	1.0
61.98838	1.0
71.08875	0.7
78.10006	0.4
107.47138	0.5
112.49909	0.4
134.04825	0.5
246.66624	0.4
265.33871	0.5
427.36502	0.7
455.32507	0.5
473.37268	17.2
474.37726	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36462	0.3
59.01377	100.0
60.01709	0.6
61.98832	1.3
65.40090	0.3
67.87704	0.3
68.11362	0.3
71.01390	0.6
80.64308	0.3
98.20702	1.3
101.02507	0.5
113.02482	0.4
140.42316	0.3
169.49075	0.3
175.57408	0.3
190.47272	0.3
201.31487	0.3
234.28085	0.4
271.24576	0.4
394.20010	0.3
413.21912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89511	0.2
59.01376	100.0
60.01710	0.9
61.98824	0.8
69.19781	1.6
69.20184	0.5
71.01372	1.8
73.02955	1.2
85.02936	0.5
87.00838	0.3
89.02463	1.0
89.72202	0.2
101.02444	1.6
107.93035	0.3
113.02473	1.0
119.03496	0.6
129.80629	0.3
133.02975	0.3
135.04570	0.8
136.52129	0.2
145.02953	0.7
161.02477	0.9
161.04558	0.6
173.04704	0.3
177.05577	0.3
179.03528	0.7
179.05693	0.3
236.53050	0.2
271.75443	0.3
413.21872	0.5
433.19922	0.3
473.10239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25418	0.2
59.01377	100.0
60.01711	0.7
69.42562	1.7
71.01401	0.8
73.02953	1.0
83.01426	0.3
85.44322	0.2
89.02441	0.3
98.20635	0.4
98.61620	0.2
99.38113	0.2
101.02451	0.9
102.35708	0.2
113.02464	0.5
161.04637	0.3
211.88399	0.2
274.82419	0.3
286.38617	0.2
362.28525	0.2
369.39429	0.2
463.18573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82407	0.2
53.83436	0.2
54.83469	0.2
56.03757	0.2
57.03438	0.2
58.69709	0.2
59.01376	100.0
60.01708	1.3
61.01801	0.6
61.98833	1.2
71.01380	2.5
73.02942	0.5
83.01414	0.4
85.02981	0.5
85.10167	0.2
89.02456	1.1
98.19864	0.5
101.02423	1.3
111.08183	0.8
113.02474	1.1
114.78844	0.3
119.03511	0.6
138.98874	0.3
149.02499	0.2
161.02406	0.4
161.04552	0.4
179.05571	0.3
188.86276	0.2
241.35617	0.2
242.21494	0.2
249.18626	0.5
293.17603	2.0
329.10355	0.2
329.18158	0.3
371.20654	0.5
413.21960	0.9
418.31522	0.2
436.35452	0.2
438.84384	0.2
473.24271	0.6
486.75851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19836	0.2
55.10869	0.3
59.01374	100.0
59.85658	0.2
60.01709	0.6
64.41458	0.2
69.54760	1.7
71.01381	1.1
73.02947	0.6
85.02930	0.5
89.02489	0.3
96.96019	1.2
101.02428	0.7
113.02432	0.5
114.93401	0.4
161.04567	0.6
193.85703	0.3
209.15485	0.6
212.61186	0.3
227.06644	0.6
261.05405	0.3
371.20816	0.7
413.21695	1.6
471.25992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56913	0.3
59.01377	100.0
60.01722	1.1
62.94646	0.3
71.01385	0.9
73.02955	0.4
82.12141	0.4
93.52712	0.4
98.20634	0.6
101.02496	0.6
113.02454	0.5
160.35629	0.4
161.04599	0.4
179.81609	0.4
253.71660	0.4
371.20789	0.9
385.42172	0.4
413.22299	0.6
483.20221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71483	0.3
55.97086	0.4
59.01377	100.0
60.01711	0.6
61.98829	2.1
63.58916	0.4
69.03461	0.6
71.01377	1.0
71.52264	0.5
71.52635	0.4
73.02967	0.4
78.95919	0.5
79.95738	0.6
89.02425	0.6
96.96007	13.2
99.00849	0.5
101.02418	1.8
113.02473	0.7
124.69719	0.4
129.96219	0.4
133.02806	0.5
161.04602	0.7
165.09953	0.4
179.03543	0.5
328.92694	0.4
332.25159	0.4
353.19717	0.8
371.20618	0.8
375.20425	0.4
394.96231	0.5
412.44543	0.5
413.21857	1.3
440.92926	0.4
473.23950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22723	0.3
59.01376	100.0
60.01698	0.7
60.69958	0.3
61.98830	1.2
68.67623	0.3
69.03446	0.5
69.49812	2.3
71.01374	3.9
73.02951	2.3
83.01385	0.5
85.02958	1.2
87.00945	0.4
89.02451	1.4
101.02428	3.1
113.02427	3.1
115.51969	0.4
119.03512	0.9
131.03477	0.6
161.04579	1.2
168.39098	0.4
177.01988	1.5
183.10345	0.7
239.88649	0.4
243.06561	0.4
253.80833	0.4
307.10287	0.6
413.21924	0.4
473.20139	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	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98827	1.5
69.94410	1.9
71.01379	4.1
72.99276	0.5
73.02947	1.6
74.67620	0.5
83.01369	1.0
83.18492	0.5
85.02962	1.7
87.00880	2.3
89.02428	0.7
99.00940	0.7
101.02449	3.8
113.02470	1.7
119.03488	1.0
120.62879	0.5
137.02534	0.5
144.56802	0.5
161.02422	0.7
161.04564	1.2
191.14520	0.6
209.15450	0.6
212.56264	0.5
235.17087	0.6
239.65167	0.5
275.16797	0.6
281.17599	0.9
353.19672	6.0
371.20755	5.4
413.21783	4.0
434.40555	0.5
473.26968	0.7
473.33344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61507	1.3
59.01373	20.7
61.10846	1.3
61.98822	4.4
62.10262	1.3
63.18060	1.2
69.32929	1.3
71.01384	17.2
71.51909	1.7
75.16631	1.2
78.95915	1.5
81.12621	1.1
85.02971	1.4
86.44023	1.1
89.02441	20.8
101.02460	4.9
113.02457	3.1
119.03523	2.5
119.88906	1.4
131.03505	1.5
131.85390	1.2
134.04799	2.9
147.11984	1.4
161.04512	2.0
170.12285	1.2
179.05637	4.5
179.07100	1.5
195.13951	2.4
208.26628	1.3
223.13362	2.5
293.21213	36.9
294.21594	2.5
302.61755	1.4
353.27887	1.3
409.34296	2.5
411.32944	1.4
472.35266	7.2
473.35840	100.0
474.37134	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	474.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	53.8
60.01708	2.3
61.98827	100.0
63.60613	0.5
70.65942	1.1
71.01402	0.6
94.39133	0.5
100.88718	0.4
133.02979	1.0
148.05289	23.3
149.05704	0.8
150.03236	0.5
161.02426	2.6
163.07634	33.9
164.07977	1.3
179.03531	0.7
273.39865	0.5
274.70166	0.5
332.73602	0.5
488.69052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01295	2.1
61.98751	2.3
71.51949	0.7
78.95815	6.6
133.02843	1.7
135.04385	1.2
140.01074	1.7
148.79716	0.4
151.03874	0.6
152.99480	1.3
161.02431	5.6
179.03389	1.3
196.03726	1.2
203.03354	0.8
214.04799	3.0
277.21698	100.0
278.22049	7.0
374.92245	0.4
413.35226	0.4
456.36169	0.5
457.26303	0.8
474.26495	14.0
474.33261	3.0
474.37112	1.9
475.12613	1.9
475.27032	3.0
475.34601	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.4
59.07515	0.3
61.98804	1.4
62.96402	0.3
63.10157	0.3
68.05782	0.3
69.17821	0.7
69.18224	2.6
71.01368	0.4
71.75014	0.3
78.95900	31.5
107.75555	0.3
122.00090	1.3
122.98440	0.3
133.02036	0.3
133.02925	1.4
134.98509	0.4
135.04510	1.0
137.15004	0.3
140.01180	6.5
152.99580	2.9
158.26904	0.4
161.02412	3.1
171.00615	1.3
179.03519	1.0
196.02074	0.7
196.03793	12.7
203.03491	0.7
214.04823	3.4
223.32828	0.3
259.20636	0.7
275.20081	0.5
277.21695	100.0
278.21991	7.7
401.38507	0.3
417.10507	0.4
474.26245	41.1
475.12387	1.7
475.26666	3.7
475.32855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51825	0.9
57.03410	0.8
59.01373	18.0
61.98822	1.0
65.03960	13.7
69.03457	5.1
69.72611	1.8
69.73021	2.7
71.01367	10.2
73.02938	8.1
79.95149	0.8
83.01380	2.6
85.02934	3.6
87.00866	1.8
89.02442	6.7
93.03426	1.8
95.05038	1.6
99.00890	4.0
101.02429	7.7
107.05010	0.9
109.02881	0.8
111.00862	5.9
113.02425	6.9
118.49454	0.9
119.03508	2.4
119.05019	1.6
121.06596	7.4
129.01947	3.5
132.02179	1.3
133.02942	26.7
135.04520	14.1
138.41376	0.8
139.04005	18.7
141.01900	0.8
145.67279	0.9
146.03693	0.8
151.03958	0.9
151.06094	1.6
159.02986	16.2
161.02425	100.0
162.02754	3.5
165.05565	9.9
165.62740	0.9
177.05566	2.0
179.03467	11.3
179.05107	1.3
179.05597	1.2
183.06598	13.6
209.04523	2.8
221.04468	1.1
227.05472	1.5
281.06500	1.1
341.10959	1.5
345.11819	4.6
387.12991	12.6
388.13058	1.1
389.10834	1.3
431.11832	11.9
432.12064	1.2
475.14502	88.1
476.14832	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	475.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17343	0.4
53.13092	0.4
59.01378	21.9
60.01710	0.9
61.01797	0.4
61.98819	2.4
71.01383	2.2
85.02942	0.7
85.72972	0.4
87.00870	0.6
89.02440	1.3
97.28197	0.4
98.19843	0.7
99.92574	1.6
101.02435	1.7
105.03447	1.0
109.02925	1.5
111.00823	0.4
113.02449	1.6
115.92058	2.9
116.92849	13.7
117.03449	1.0
121.02952	0.5
123.04516	5.5
132.02173	1.7
133.02946	30.7
134.03662	1.3
135.04515	25.3
136.04852	0.5
137.02422	0.7
147.04523	0.7
148.05319	0.5
149.02422	0.8
149.06090	2.0
150.03207	5.9
151.02890	0.6
151.04008	9.0
157.47090	0.4
161.02426	100.0
162.02780	2.5
175.03995	3.2
177.05510	3.8
179.03481	25.1
180.03825	0.7
189.05510	0.9
203.03468	13.7
203.05341	0.8
204.03857	0.7
221.04530	2.8
229.44174	0.5
233.04541	1.4
251.05530	1.8
281.06589	3.7
323.07645	4.4
341.08749	7.8
342.09036	0.6
364.28799	0.5
431.09561	0.5
475.12506	32.0
476.13004	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	475.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	26.3
60.01705	1.5
61.01795	1.4
61.46799	0.3
61.98802	0.5
62.07387	0.4
71.01375	2.7
71.53648	0.6
73.02939	0.5
85.02939	1.2
89.02438	1.2
93.03429	0.4
95.05004	0.4
99.46581	0.4
101.02441	1.2
105.03447	0.5
107.05022	0.5
109.02943	1.9
113.02453	1.5
119.03461	0.5
122.03707	0.4
123.04520	4.5
132.02153	1.3
133.02946	29.3
134.03665	1.4
135.01213	0.8
135.04515	27.3
136.04843	0.8
137.02379	1.3
147.04463	0.7
148.05226	0.5
149.02405	0.7
149.06052	2.0
150.03209	6.1
151.04001	8.5
161.02426	100.0
162.02762	3.9
167.07230	0.3
175.03989	3.1
177.05545	3.3
178.02632	0.5
179.03482	24.7
180.03824	1.4
189.05534	1.1
203.03462	13.1
204.03793	0.8
207.06580	0.7
221.04454	3.7
232.07538	0.4
233.04477	1.6
251.05708	2.8
281.06613	3.8
313.09262	0.5
323.07639	4.5
341.04468	0.5
341.08743	9.7
342.09079	0.7
475.12396	37.6
476.12625	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	475.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
57.75517	0.2
59.01375	18.0
60.01714	0.4
61.98832	2.0
62.35284	0.2
71.01374	2.5
71.53446	0.2
73.02939	0.6
74.99091	0.2
75.49612	0.2
83.01371	0.3
84.58372	0.2
85.02935	1.1
87.00863	0.7
89.02431	1.4
89.04004	0.2
89.78444	0.2
93.17070	0.2
95.01417	0.4
101.02405	1.6
105.03445	0.8
106.04259	0.2
107.05038	0.4
108.02232	0.3
109.02959	1.7
111.00914	0.5
113.02431	1.7
117.03439	0.6
118.98080	3.2
119.03463	0.3
121.02958	0.6
122.03725	0.7
123.04525	4.2
132.02129	1.5
133.02948	30.8
134.03827	1.3
134.06079	0.2
135.04514	26.3
136.04814	0.8
137.02426	1.4
139.03984	0.5
143.03503	0.3
147.04492	0.7
148.05263	0.4
149.02411	1.0
149.06070	2.6
150.03217	5.9
151.03998	8.7
159.04402	0.4
161.02425	100.0
162.02771	2.9
175.03996	3.2
177.05550	4.1
178.02692	0.3
179.03479	25.6
180.03838	1.0
189.05516	0.6
189.37804	0.2
203.03477	14.3
204.03783	0.6
205.05124	0.2
207.06517	0.4
221.04524	3.1
233.04474	2.2
251.05563	3.0
276.36206	0.2
281.06635	4.6
295.08093	0.4
295.17136	0.5
305.06793	0.2
323.07639	4.3
341.08722	8.5
342.09094	0.5
355.13019	1.2
359.27716	0.3
372.86481	0.2
373.22256	0.6
415.22531	0.4
415.27301	0.6
428.02176	0.3
433.27817	0.6
439.17676	0.5
457.69403	0.3
463.21036	0.3
475.12390	32.1
476.12686	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	475.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64343	0.4
59.01373	10.5
59.09234	0.4
59.53212	0.4
61.98826	1.3
71.01369	3.9
73.02927	2.6
81.54527	0.4
81.75043	0.5
82.95248	0.4
83.01389	0.8
85.02947	2.2
89.02441	2.1
92.82374	0.4
99.00872	0.7
101.02436	3.5
105.03466	0.9
107.05043	1.2
109.02944	1.6
113.02459	2.3
117.03464	9.4
118.03799	0.5
119.03482	0.5
119.05015	2.9
122.03720	3.0
123.04520	7.4
132.02132	2.0
133.02945	30.5
133.34602	0.4
134.03482	1.0
135.04515	18.7
137.02383	1.0
145.02939	34.5
146.03285	1.5
149.02466	0.8
149.06053	1.5
150.03200	6.4
151.03999	9.8
159.77029	0.4
161.02425	100.0
162.02762	3.8
163.03958	2.6
173.47006	0.4
175.03903	1.3
177.05537	1.5
179.01880	0.9
179.03476	17.8
180.03789	0.5
195.29076	0.4
203.03477	5.6
217.05379	0.4
221.04472	1.6
233.04457	1.0
251.05499	0.8
263.05783	0.4
281.06476	2.1
307.08136	2.8
313.09415	0.5
323.07669	3.3
329.08682	0.9
341.08789	5.6
415.23096	0.8
431.13422	15.7
432.13528	1.4
433.24435	0.5
457.11401	0.9
475.12381	57.6
476.12668	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	475.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
71.01374	16.2
72.99317	4.2
84.38915	0.8
85.29736	0.8
89.02427	4.1
115.00359	37.4
116.00711	1.0
116.24621	0.7
125.32577	0.8
132.03008	3.1
133.01419	100.0
133.05048	2.0
134.01697	1.3
143.46100	0.9
149.04530	2.8
165.65445	0.8
185.88766	0.8
191.05594	4.4
219.34949	0.8
295.10422	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94271	0.8
59.01372	3.0
59.78465	0.9
60.99057	0.9
71.01375	13.1
71.51268	1.4
72.99310	3.9
85.02963	1.1
87.00894	1.3
89.02430	2.5
91.41106	0.9
115.00366	41.5
132.03038	2.6
133.01421	100.0
133.05066	2.3
134.01752	2.0
139.03983	1.4
145.67984	1.0
161.02469	2.3
165.05542	1.0
165.63513	1.3
183.06464	1.5
341.14548	1.1
387.13000	1.3
437.57309	1.1
475.14697	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46638	1.8
55.01866	2.1
56.94265	1.7
57.03443	3.5
57.83271	1.7
59.01104	3.2
59.01377	32.4
60.99294	2.7
61.98825	20.6
65.03960	59.6
67.17089	1.6
68.99818	5.3
69.03459	20.6
69.15901	17.8
69.16312	2.5
71.01379	18.1
72.99303	5.4
73.02940	70.0
74.97075	1.6
75.00908	2.0
78.82586	1.6
79.21244	2.1
81.03432	3.5
83.01383	2.9
85.02947	40.2
85.03463	2.2
86.19392	1.6
86.96381	2.0
87.00877	6.1
87.04513	16.4
88.98797	23.1
89.02432	13.2
93.03447	12.1
95.05000	11.1
97.02965	4.3
99.00858	7.6
99.04510	4.3
101.02436	15.0
103.04000	31.0
103.05521	4.9
106.04229	4.5
107.05014	2.2
110.99110	4.9
111.00894	3.9
111.08105	2.0
113.02458	12.7
115.04021	9.6
117.05569	4.0
119.03493	3.1
119.05025	8.6
121.02946	3.2
121.06593	42.5
123.04525	2.2
127.03983	2.6
133.02936	8.5
135.04503	8.4
139.04002	100.0
139.07649	5.1
140.04395	3.0
145.02922	5.6
145.05055	4.5
147.04538	3.1
149.02440	2.1
150.03169	3.6
151.04013	4.0
159.03020	2.9
161.02420	29.8
161.04546	4.7
163.07602	2.1
165.05557	53.2
179.03481	7.6
183.06615	64.4
203.03525	3.3
207.06657	2.2
209.04524	36.1
227.05566	6.7
267.06680	2.2
276.32874	1.8
295.06445	2.5
323.07440	2.2
327.10861	32.7
328.11237	3.4
345.11774	5.9
346.12085	1.9
371.09860	20.0
389.10736	3.9
401.14395	16.4
413.14557	38.5
414.14862	3.4
426.13885	2.6
431.15485	23.8
445.13391	8.3
457.13354	20.1
475.13828	63.0
476.14240	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	475.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28190	0.3
51.08701	0.4
59.01379	10.0
61.98814	0.4
62.89954	0.4
64.32986	0.5
65.03947	2.0
66.65022	0.4
69.03453	0.4
69.78104	2.0
71.01375	5.2
73.02947	1.1
74.17322	0.4
78.34612	0.4
83.01376	0.6
85.02945	0.8
87.00854	0.6
89.02432	4.1
99.00855	0.7
101.02438	4.0
105.03399	0.5
111.00858	0.9
113.02437	2.9
117.03503	0.8
119.03495	1.6
121.06580	1.7
132.02129	0.9
133.02954	28.2
133.64516	0.4
134.03810	0.6
135.04512	14.9
139.04056	2.7
143.03564	0.5
149.06090	0.4
151.03976	0.5
151.06104	1.9
159.02969	2.2
161.02431	100.0
162.02750	3.5
165.05562	1.7
177.05524	1.0
179.03485	11.5
179.05330	0.5
179.05681	0.5
179.07013	0.6
180.03836	0.5
183.06613	2.5
184.03362	0.5
207.74046	0.4
209.04468	0.7
221.04535	1.9
236.38158	0.4
251.05707	1.1
281.06653	2.0
341.08603	0.6
345.12228	0.6
387.12988	1.5
431.12015	1.3
475.14529	88.6
476.14844	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	475.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55179	0.6
50.65004	0.6
55.01863	1.5
55.89024	0.6
57.03442	2.7
59.01382	8.6
61.98806	1.1
65.60767	0.6
66.94239	0.6
68.99803	2.3
69.03460	1.2
70.59678	2.1
71.01377	10.9
72.99297	1.1
73.02942	28.5
75.00843	1.5
83.01378	5.5
85.02939	4.8
87.00864	4.1
89.02442	5.2
94.31185	0.7
95.01389	3.2
97.02940	0.9
99.00877	18.1
101.02443	12.7
108.02135	0.9
111.00874	24.7
113.02444	20.0
115.95684	0.6
119.03471	2.3
123.00899	1.1
124.97958	0.7
125.02429	0.8
129.00974	1.2
129.01933	20.5
131.03514	1.6
133.03001	0.8
135.04547	1.8
137.02403	1.1
139.03996	0.7
141.01942	5.8
143.98752	0.7
158.02174	0.9
159.02982	100.0
160.03346	3.0
161.02435	5.2
162.02866	0.7
165.05577	0.7
175.03842	0.8
177.05566	1.5
179.05591	1.2
193.05103	0.8
207.06706	0.9
219.06706	0.9
223.06288	0.8
277.07306	1.0
295.08206	1.3
315.10733	0.9
326.79315	0.7
387.12814	0.9
427.12488	1.1
475.14447	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	475.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17371	0.4
55.01863	1.8
57.03455	3.6
58.00584	0.6
59.01379	13.4
60.11864	0.5
65.03950	1.9
67.01882	0.8
68.99825	2.7
69.03446	2.0
71.01379	16.0
71.27626	0.8
72.99323	1.2
73.02946	32.9
75.00867	0.7
83.01383	8.0
85.02954	8.4
87.00871	6.1
89.02446	5.8
93.03469	0.6
95.01380	4.0
96.96011	0.8
97.02933	1.0
99.00881	24.9
101.02440	19.7
101.03118	1.1
108.02142	1.2
111.00878	52.2
112.01220	1.1
113.02445	26.6
119.03481	3.7
119.05052	0.7
121.06591	0.6
123.00868	0.7
127.57671	0.6
129.01949	25.8
130.02216	0.9
131.03458	1.2
133.02983	4.1
135.04527	4.8
139.03995	1.5
141.01929	7.4
143.03493	1.0
147.04492	1.0
151.03951	0.5
159.02986	100.0
160.03328	2.2
161.02431	14.7
161.04570	1.1
161.05954	0.6
165.05548	1.4
177.05594	0.7
179.03487	1.7
179.05653	0.7
179.07129	0.8
183.06621	1.2
315.10822	2.0
387.12762	0.8
431.11676	1.0
447.14679	0.6
475.14542	15.4
476.14618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54853	0.4
57.03428	0.4
59.01376	100.0
60.01712	7.8
61.01803	5.4
61.98521	0.4
61.98818	2.2
71.01376	5.0
71.53374	0.4
73.02951	1.2
83.01422	0.4
85.02959	1.5
89.02431	4.1
101.02440	2.4
113.02424	2.4
115.34834	0.4
117.03481	1.3
119.03526	1.4
119.05038	1.4
123.04586	0.7
127.04085	0.4
132.02182	8.0
133.02953	5.0
134.03738	9.3
135.04555	3.6
137.02441	0.6
140.00533	0.4
143.03520	0.4
149.06096	1.3
150.03279	1.0
151.04016	1.2
158.31808	0.5
160.01651	31.9
161.02429	14.2
161.04536	0.7
162.02803	0.6
171.13905	0.6
175.03986	33.4
176.04547	0.9
177.02003	0.4
177.05586	0.9
178.02661	0.5
179.03474	4.0
179.05640	0.8
183.10262	0.6
183.25793	0.4
185.11827	4.4
186.12189	0.4
191.07272	0.8
193.05023	7.7
193.06561	0.6
199.13419	2.0
203.03461	0.9
207.06673	0.5
221.04588	0.8
225.11346	0.5
227.12981	2.5
235.06161	1.6
253.14450	1.2
281.06683	1.3
341.09012	0.7
415.23486	1.1
416.13104	0.4
475.16220	39.0
475.22137	5.3
476.16522	3.6
476.22266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78342	0.5
57.43272	0.4
59.01376	3.7
60.99300	13.2
61.98814	0.5
66.86054	0.5
71.01372	1.9
72.99300	0.4
85.02975	0.6
87.00875	1.3
88.98799	100.0
89.02437	5.9
89.99135	0.7
104.05980	0.4
109.02957	0.8
113.02422	0.7
133.02937	1.5
135.04530	1.4
147.04578	0.9
150.57422	0.5
151.04019	0.6
159.03001	0.7
161.02411	4.7
173.43217	0.5
179.03522	1.0
179.05666	0.5
262.78137	0.5
267.06577	0.8
269.08224	1.4
359.13522	0.5
402.36615	0.5
475.12292	10.3
476.12656	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
57.20519	0.3
59.01376	41.5
60.01689	0.5
61.98828	4.1
65.03954	1.3
68.99809	0.7
69.03446	0.7
71.01373	7.2
71.51735	0.6
72.40678	0.4
72.99303	0.9
73.02945	6.7
75.00867	0.8
75.22234	0.4
81.73170	0.4
83.01363	2.1
85.02950	2.7
87.00875	4.8
89.02438	4.2
93.03467	1.0
95.01376	1.0
99.00880	4.3
101.02437	5.1
103.04008	0.7
108.02163	0.7
109.02939	0.5
111.00871	8.0
113.02446	7.5
117.03335	0.4
119.03490	1.5
119.04963	0.4
121.02887	0.4
121.06591	1.2
123.04445	0.8
129.01927	4.4
130.87599	0.4
131.03526	0.6
133.02939	1.6
135.04529	2.4
139.03996	2.6
141.01912	1.1
143.03479	0.8
145.02934	0.8
146.03723	32.2
147.04272	1.3
149.02429	0.4
151.04025	0.8
159.02972	14.1
161.02432	4.0
161.04567	2.2
161.06070	11.0
162.06396	0.6
163.04024	0.7
163.07625	0.5
164.04776	21.7
165.05467	1.8
179.07123	100.0
180.07481	3.6
183.06599	1.7
191.82216	0.4
197.08154	0.6
203.03430	0.6
209.04501	0.6
217.22833	0.4
235.08142	0.4
235.13274	0.4
307.15384	0.6
345.11847	1.1
359.13425	1.1
389.10889	0.7
413.14697	0.8
415.16013	1.5
475.12396	2.6
476.13449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27739	1.7
57.03442	1.9
58.00594	2.5
59.01376	100.0
59.18037	1.5
61.98825	16.6
69.61947	9.4
71.01377	65.3
72.01707	1.6
72.99293	1.7
73.02944	16.8
73.90192	1.6
80.44592	1.9
83.01373	5.6
85.02951	18.9
87.00872	4.6
88.98811	1.8
89.02441	61.4
90.00936	1.8
95.01376	5.0
99.00876	3.1
101.02434	41.2
108.02163	2.1
109.02995	2.0
113.02435	29.3
119.03482	12.9
123.04484	2.3
125.02448	3.5
131.03502	14.6
133.02939	10.8
135.04535	11.1
143.03488	3.1
149.04544	40.5
151.04004	2.8
159.02977	6.8
161.02441	28.0
161.04509	8.5
163.03915	2.9
164.04805	2.5
179.03484	12.0
179.05563	6.6
179.06989	2.8
191.05563	7.3
194.04669	1.9
203.03502	2.2
208.41730	1.7
283.11911	4.8
413.14941	2.2
415.15933	24.3
475.12067	11.8
475.21912	12.3
476.13281	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.4
57.01611	1.2
57.03424	2.6
59.01376	100.0
61.98821	6.6
65.03949	2.1
69.92493	4.7
70.45949	1.2
71.01376	36.6
72.99290	2.1
73.02938	15.6
75.00858	2.4
83.01368	5.0
85.02947	19.7
87.00854	5.4
87.01334	1.3
88.98809	2.4
89.02445	18.1
93.03461	1.8
95.01346	3.1
97.02912	1.5
99.00873	7.2
101.02439	27.2
105.27007	1.3
105.50416	1.4
111.00883	6.7
111.61093	1.4
113.02451	19.9
119.03496	6.5
121.06583	1.9
121.86167	1.2
129.01917	5.3
133.02896	1.6
135.04512	2.9
139.03998	3.1
141.01950	1.5
141.36803	1.4
143.03464	2.4
145.02783	1.6
146.03714	11.2
149.02460	2.3
150.03259	2.2
159.03004	13.3
161.02489	7.1
161.04556	19.8
161.05991	3.7
164.04744	10.0
165.05548	7.1
179.05609	3.5
179.07118	33.9
180.04213	1.7
180.07474	1.7
183.06599	4.0
195.06650	7.6
195.10228	3.8
235.13411	6.7
253.14401	12.9
277.11020	1.3
300.24344	1.3
301.07211	1.7
304.40005	1.4
307.15549	4.4
345.12061	2.1
371.09891	1.8
389.10916	1.6
391.13861	1.9
397.18631	48.2
397.23782	3.2
398.18799	4.7
410.71240	1.3
415.19736	47.2
416.19733	3.3
439.16113	4.2
475.14148	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14555	0.3
54.19778	0.3
54.61210	0.3
59.01375	100.0
60.01716	1.0
61.01809	0.4
61.98832	0.4
68.67049	0.3
69.30856	0.2
69.31129	2.3
71.01382	1.5
73.02943	0.6
85.02956	0.6
89.02466	0.7
96.01633	0.2
96.57197	0.2
101.02467	1.0
113.02476	0.8
119.03471	0.3
129.72498	0.2
133.02974	1.6
135.04535	1.8
136.71338	0.3
150.03287	0.4
151.04025	0.5
161.02431	5.1
161.04495	0.4
179.03537	1.1
203.03494	0.7
323.07892	0.3
341.08774	0.5
355.21466	0.6
373.22308	1.8
415.23340	2.7
416.23978	0.3
440.86386	0.3
454.18515	0.3
475.12476	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59586	0.2
59.01377	100.0
60.01717	0.7
71.01388	0.9
72.16953	0.3
73.02951	0.9
79.66187	0.3
81.03462	0.3
83.01369	0.4
89.02431	0.6
101.02465	1.0
113.02475	0.6
133.02959	0.6
161.02454	1.0
161.04636	0.4
179.03572	0.3
179.05641	0.5
260.58563	0.3
380.68054	0.3
475.12650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85107	0.3
59.01376	100.0
60.01717	0.8
61.98836	0.4
69.40296	1.6
71.00505	0.2
71.01379	0.8
73.02950	0.6
73.45267	0.2
81.08884	0.2
89.02454	0.6
93.06429	0.2
101.02471	0.8
113.02471	0.4
119.03471	0.2
123.04583	0.2
133.02943	1.2
135.04515	1.3
137.02466	0.9
150.03209	0.2
151.03984	0.4
160.14085	0.2
161.02432	4.6
161.04570	0.4
177.05710	0.3
179.03468	1.3
203.03569	0.5
212.69981	0.2
341.08578	0.3
373.22507	0.3
415.23480	0.7
417.13287	0.2
475.12332	1.8
475.18210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01714	0.7
61.98822	4.0
65.05882	0.3
71.01384	4.2
71.53706	0.5
72.12384	0.3
72.99306	0.5
73.02955	1.0
76.37637	0.3
83.01369	0.6
85.02947	0.9
87.00874	1.0
87.04482	0.3
89.02441	2.6
95.01385	0.4
101.02435	2.4
105.03485	0.4
108.02166	0.4
109.02954	0.8
111.00908	0.4
113.01726	0.3
113.02431	2.1
118.98120	0.9
119.03495	0.9
121.02966	0.8
122.03796	0.4
123.04532	2.5
132.02168	0.7
133.02953	13.9
134.03700	1.3
135.03493	0.8
135.04518	12.6
137.02428	1.5
147.04549	0.7
149.06111	0.9
150.03247	2.6
151.04007	3.2
159.04475	0.5
161.02431	41.3
162.02759	1.1
175.03981	1.3
177.05563	1.8
178.02658	0.6
179.03488	11.4
188.01642	0.3
189.05704	0.4
203.03470	6.2
215.07106	0.4
221.04546	1.5
223.65465	0.4
233.04500	1.0
251.05606	1.3
270.64316	0.4
281.06577	2.1
290.20303	0.3
295.22739	0.4
301.11929	0.4
313.23550	0.4
323.07614	1.6
341.08755	4.8
355.21158	0.5
373.22128	2.9
410.13632	0.4
415.23062	1.7
428.30667	0.3
439.17621	6.5
440.17743	0.9
475.12378	13.2
475.28329	3.0
476.06516	0.4
476.12427	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	476.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.4
60.99268	1.5
61.98825	100.0
65.03956	3.6
69.03437	2.2
71.01379	11.0
72.99272	1.5
73.02939	6.6
74.13148	1.1
75.00867	6.3
75.80808	1.4
83.01363	2.2
85.02940	9.5
87.00873	4.1
88.98816	8.5
89.02439	5.5
92.42673	1.2
95.01363	2.2
96.95998	1.7
98.19863	3.4
99.00875	4.0
101.02416	3.6
103.00330	1.4
103.04003	2.0
107.39124	1.3
113.02435	17.3
117.03473	1.2
119.05020	14.7
122.06918	1.9
123.04519	1.6
133.02983	1.7
139.03992	5.2
140.04312	2.4
145.02977	9.0
154.64322	1.3
161.02425	4.8
161.04536	1.9
162.02798	2.7
163.03960	16.1
164.04362	1.7
165.05495	2.2
183.06577	2.4
184.06926	2.2
237.07634	1.5
249.06145	6.7
267.07178	40.2
268.07541	1.7
345.98840	1.4
359.05118	1.3
370.45700	1.5
372.10159	1.5
384.24353	1.5
402.14441	1.6
413.10846	62.9
414.11002	5.8
432.15598	1.9
466.24136	1.6
476.14752	7.2
477.13779	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	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47916	0.2
61.98818	0.5
78.95896	5.2
86.90981	0.3
133.02953	0.5
135.04498	0.3
140.01181	2.0
152.99570	0.7
161.02411	1.0
162.02811	0.3
196.03751	1.0
214.04819	3.3
261.22290	0.5
279.23251	100.0
280.23621	6.8
337.39557	0.3
476.13187	0.7
476.27798	12.4
476.34363	0.9
477.28119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35767	0.3
55.44220	0.3
57.58600	0.3
59.01357	0.5
60.97699	0.3
61.98830	1.3
69.73822	1.5
78.95899	22.5
87.00949	0.3
91.72352	0.3
96.96967	0.4
98.20673	0.3
104.97355	0.3
122.00086	0.7
122.91183	0.3
122.98540	0.3
133.49582	0.3
134.98552	0.4
140.01180	5.1
152.99536	2.0
156.77759	0.3
161.02402	0.3
171.00623	1.0
193.75810	0.3
196.03773	9.7
214.04805	2.1
226.85393	0.2
261.22208	0.5
279.23254	100.0
280.23575	6.5
365.24734	0.3
431.32233	0.3
476.27783	37.4
477.28049	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	477.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64968	0.6
57.03443	0.8
59.01375	14.9
61.98827	26.6
69.03440	1.7
71.01375	3.8
73.02946	3.1
75.27567	0.6
79.01875	0.9
81.03459	1.0
83.01382	1.3
85.02942	2.0
89.02425	1.8
95.01387	1.8
97.02929	1.8
101.02457	3.6
101.45644	0.6
107.01376	1.7
108.02132	2.3
109.02917	1.2
113.02423	2.3
117.03434	3.4
119.03487	0.9
119.04999	5.4
123.00861	8.5
123.04533	0.9
124.01662	18.9
125.02445	36.7
126.02699	0.8
133.02934	4.8
135.04474	2.9
137.02452	3.2
145.02948	20.2
146.03246	0.7
149.09700	2.1
149.99573	31.6
151.00238	2.9
151.03955	0.9
161.02441	14.7
161.04424	1.5
162.02779	1.8
163.04071	4.0
167.03470	1.1
168.00627	65.7
169.01387	6.2
179.03409	2.1
269.80746	0.6
307.07935	1.5
313.05737	3.5
331.02725	1.3
331.06653	23.0
332.06955	1.4
459.09229	0.8
477.10159	100.0
478.10605	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	477.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92635	0.2
56.55522	0.3
57.03456	0.4
59.01374	4.9
61.98835	0.6
68.18294	0.2
69.03474	0.3
70.19588	0.2
71.01380	3.4
73.02953	1.0
78.23849	0.2
79.01950	0.2
81.03486	0.2
83.01394	0.4
85.02950	1.8
87.00883	0.5
89.02448	1.9
89.03979	0.2
95.01392	0.6
97.02957	0.4
99.00894	0.6
100.82356	0.2
101.02438	1.8
105.03473	0.5
107.01363	0.3
107.05068	0.4
108.02169	15.8
108.22876	0.3
109.02958	7.6
109.03706	0.4
113.02445	1.6
117.03484	0.8
119.03531	0.6
119.05017	0.3
121.02962	0.5
123.00879	0.4
123.04530	1.3
125.02435	0.3
132.02148	1.7
133.02951	35.2
134.03455	1.1
135.04517	19.5
136.04857	0.7
137.02513	0.3
143.03317	0.2
149.06105	0.3
151.00375	0.2
151.04005	0.5
152.01143	22.6
153.01927	8.4
153.05571	0.4
159.02948	1.4
161.02429	100.0
162.02788	4.1
163.02814	0.3
163.03990	0.6
165.01936	0.4
173.64117	0.2
175.03880	0.2
177.05519	0.4
178.02698	0.3
179.03488	10.8
180.03839	0.6
181.03838	0.2
203.03505	0.3
221.04558	0.5
225.03983	0.2
229.85782	0.2
229.87962	0.3
263.24594	0.2
297.13251	0.2
315.07230	14.8
315.10742	1.0
316.07520	0.5
321.06302	0.3
323.07559	0.7
417.23871	0.3
433.11560	1.4
477.09628	22.5
477.13971	29.5
478.10104	2.6
478.14352	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	477.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40257	0.9
55.01866	1.6
56.81574	0.9
56.99477	0.9
57.03423	1.5
57.68764	0.9
58.00566	1.0
59.01376	18.0
65.03960	43.4
65.20617	0.9
68.99800	3.7
69.03450	8.6
69.63873	1.0
70.66637	0.9
71.01016	1.4
71.01379	19.6
71.42677	1.6
73.02925	4.1
83.01377	2.9
85.02952	5.7
87.00854	1.4
89.02435	9.1
93.03459	8.6
95.01374	1.5
95.05015	4.4
99.00880	3.5
101.02434	14.0
103.05547	1.2
105.01929	16.4
106.04214	3.6
113.02451	8.5
116.40214	1.0
119.03506	3.4
119.05001	4.9
121.05714	1.7
121.06587	32.5
122.06901	1.8
123.04478	1.0
131.03418	1.3
137.06064	1.1
139.03999	70.7
140.04352	2.6
149.04614	1.1
151.03970	3.1
153.05624	1.5
159.02966	1.0
161.04547	2.2
163.04015	1.5
163.07625	1.8
165.05559	41.0
166.05910	1.2
169.39807	1.0
183.06610	39.0
207.06570	1.4
207.69731	0.9
209.04520	14.2
227.05577	3.4
329.08792	1.1
343.30032	1.0
345.11871	40.3
346.12247	2.9
371.09662	6.6
371.20239	1.1
389.10852	100.0
390.11230	6.9
477.12427	69.4
478.12576	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	477.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63944	1.4
55.01864	1.9
57.03432	2.1
59.01376	27.9
60.39103	1.5
65.03961	51.6
68.99826	2.6
69.03455	11.1
70.34131	4.7
71.01383	29.4
72.99298	3.7
73.02936	6.5
75.00875	14.8
81.03453	2.1
81.48860	1.8
83.01385	3.6
85.02950	10.9
87.00843	2.4
89.02441	17.3
93.03436	7.7
95.05017	7.1
99.00895	4.2
101.02435	14.3
103.05527	2.8
105.01918	16.8
106.04218	2.8
107.04993	2.0
108.02153	5.6
113.02445	17.3
115.00359	2.7
116.77355	1.6
119.03485	4.9
119.05009	6.3
121.06596	33.9
123.04504	2.7
133.01404	4.2
135.02989	27.6
135.03964	2.6
135.04478	2.9
137.06194	1.8
139.04007	77.7
139.07607	3.4
140.04370	2.2
151.03964	4.0
161.04541	7.1
165.04166	3.3
165.05542	52.7
166.05801	2.0
183.06604	45.3
209.04523	16.3
227.05501	3.8
315.10785	2.1
317.00839	1.8
345.11890	43.1
371.09894	8.5
389.10876	100.0
390.11249	9.5
410.31705	1.8
477.12408	90.8
478.12653	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00557	0.9
59.01375	18.5
61.98828	6.4
70.01265	2.3
71.01377	8.9
72.99308	1.2
73.02935	1.6
85.02950	3.3
87.00884	1.1
89.02436	4.9
89.60097	0.8
99.00881	0.9
101.02437	6.0
108.02166	16.7
113.02444	4.3
117.03446	1.1
118.98228	0.7
119.03490	2.3
125.02469	1.4
133.02950	31.3
134.03648	3.0
135.04521	19.2
136.04813	1.0
137.02420	1.2
139.03992	1.3
145.02937	3.2
150.03178	2.1
161.02429	100.0
162.02773	3.5
163.03970	1.3
165.05597	1.5
169.01390	1.0
177.05586	3.2
179.03482	14.9
179.05673	0.8
199.09634	0.9
221.04494	4.2
248.28314	0.9
251.05528	4.0
281.06619	6.5
293.08771	0.8
297.13513	1.2
341.08823	1.3
389.11618	1.0
417.24887	3.1
477.14023	55.5
478.14175	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	477.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.6
64.42899	0.4
69.39999	3.0
71.01364	2.2
74.41303	0.4
85.02910	0.6
89.02422	2.1
101.02435	0.8
113.02420	1.2
117.03495	0.5
123.04541	0.8
123.26687	0.4
132.02141	1.7
133.02950	31.9
134.03642	1.3
135.04512	18.0
136.04831	1.1
137.02452	0.5
153.05566	0.6
161.02426	100.0
162.02769	3.9
179.03487	9.9
180.03871	0.5
202.18480	0.4
249.56676	0.4
280.19345	0.4
315.10773	0.8
477.13998	66.6
478.14310	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	477.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16250	0.4
55.94061	0.4
57.38650	0.4
58.00592	0.4
59.01378	6.4
64.42902	0.4
65.19751	0.4
70.19375	0.4
70.27796	1.3
70.56645	0.4
71.01379	3.3
82.92455	0.3
89.02431	2.9
98.20451	0.8
101.02454	2.3
113.02435	1.2
117.03493	1.0
119.03503	1.6
123.04530	1.0
132.02182	1.4
133.02948	26.2
134.03394	0.6
135.04521	11.8
136.53279	0.4
153.05577	0.7
157.62991	0.4
161.02429	100.0
162.02762	3.0
177.05583	1.0
179.03516	2.6
221.04536	0.8
238.36958	0.4
295.40405	0.4
315.10828	3.8
394.85568	0.4
477.13962	68.4
478.14328	5.1
495.48334	0.5
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	Unknow
Peak:m/z	Relative Intensity
52.16504	0.4
55.01884	0.5
59.01380	4.9
61.98825	1.4
69.52430	2.3
71.01377	3.3
73.02941	0.9
75.00853	1.3
83.01389	0.4
84.00603	0.4
85.02949	1.1
89.02438	2.1
89.03973	0.4
90.20903	0.4
101.02427	1.7
105.03454	0.9
108.02138	0.5
113.02455	1.1
117.03468	0.9
123.04506	0.6
132.02145	1.9
133.02950	34.5
134.03668	0.8
135.04517	20.2
136.04878	0.7
153.05595	0.7
161.02431	100.0
162.02765	4.2
179.03481	11.4
180.03886	0.6
190.82687	0.3
221.04596	0.5
297.09991	0.4
315.10760	1.0
341.08331	0.5
477.13962	68.5
477.19232	2.7
478.14279	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35353	0.4
59.01371	4.9
64.34979	0.4
69.17014	4.2
71.01371	2.9
85.02944	1.1
89.02442	2.5
101.02434	1.6
107.05030	0.7
108.02166	37.2
109.03004	0.6
113.02429	1.4
117.03462	1.1
119.03479	0.6
121.02975	0.5
123.04516	0.5
132.02171	1.3
133.02946	28.3
134.03770	2.7
135.04512	19.8
136.04817	0.6
137.02405	1.5
145.02911	0.7
148.05391	0.5
149.06068	1.6
160.01631	0.4
161.02425	100.0
162.02773	4.1
177.05501	3.7
178.02719	0.7
179.03485	17.0
180.03825	0.8
181.05058	2.8
203.03357	0.5
204.04071	0.5
205.53836	0.4
208.19205	0.4
221.02641	0.6
221.04564	6.1
223.05927	0.7
233.04654	0.4
251.05586	7.4
252.05998	0.5
277.79248	0.4
281.06628	11.3
339.07333	0.9
341.08771	2.3
348.24896	0.4
403.55466	0.4
477.13962	48.3
478.14310	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	477.1607
Annotation	Scroside D
Peak:m/z	Relative Intensity
55.01876	1.3
57.03441	3.8
57.90866	0.6
58.00592	1.3
59.01374	27.5
61.98815	0.6
65.03946	1.7
65.36082	0.5
67.01844	0.8
67.08857	0.5
68.99800	0.8
69.03439	0.9
70.91682	1.5
71.01378	39.1
72.99274	1.2
73.02941	1.7
81.25161	0.5
83.01373	1.6
84.02144	1.4
85.02945	35.6
87.00880	3.0
88.62779	0.6
89.02440	23.2
95.01379	15.1
99.00900	0.9
101.02431	10.1
108.02168	51.4
109.02940	2.0
113.02444	100.0
114.02753	1.9
119.03500	6.2
121.06577	1.6
122.03698	0.6
123.04505	6.3
125.02415	1.0
131.03505	2.1
134.03703	1.0
135.04514	3.6
139.03990	2.7
143.03497	5.7
149.04521	0.8
150.03224	3.7
151.03061	0.4
151.03995	13.2
153.05586	1.7
161.04535	18.9
163.06091	1.4
165.05576	1.2
179.05617	6.7
183.06621	1.5
191.31325	0.6
207.63832	0.7
239.99641	0.5
279.23337	0.7
315.10986	3.1
345.12091	1.3
389.10800	4.0
459.15024	4.4
477.16849	10.0
478.15814	0.7
504.02301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51595	1.0
59.01376	21.4
60.99303	14.5
61.98829	24.7
69.03456	1.4
69.94989	5.5
71.01379	11.1
71.50854	1.1
72.42696	1.2
72.99278	3.5
75.00874	4.0
83.01416	1.5
85.02954	2.1
87.00887	1.6
88.98801	100.0
89.02441	25.6
89.99108	1.5
95.04998	1.6
98.20663	1.2
99.04530	3.8
101.02433	6.4
101.86940	1.1
107.57763	1.6
108.02178	2.7
113.02442	3.7
119.03487	5.2
131.03505	1.1
133.02905	7.0
133.17252	1.3
135.04550	5.8
139.07600	1.9
153.09212	1.7
161.02428	18.0
161.04526	1.4
165.89337	1.1
179.03497	2.8
179.05626	2.3
197.08179	1.6
251.05908	1.4
279.12335	3.6
297.13342	3.2
388.48230	1.2
416.09164	1.2
477.13904	10.2
477.19879	6.1
486.67722	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
57.03441	2.9
59.01375	20.4
61.02886	0.4
61.79229	0.4
61.98820	1.9
65.49640	0.4
71.01373	10.9
72.99335	0.7
73.02945	1.3
83.01366	0.8
85.02944	2.9
87.00865	1.3
89.02448	9.8
95.01385	0.7
98.20763	1.0
101.02433	8.7
113.02435	5.0
119.03513	3.9
133.02928	0.9
135.04535	0.7
145.02905	1.7
149.06085	1.6
161.02454	4.7
161.04536	0.7
187.03958	0.7
225.22223	2.0
237.22205	1.6
253.21693	6.6
262.30936	0.5
264.75626	0.5
269.24838	7.2
270.25186	0.9
283.26526	0.7
297.24323	0.8
299.25821	1.4
311.26001	0.9
315.20096	2.3
315.25369	31.4
316.25626	2.6
375.94739	0.6
385.32925	0.5
477.14020	2.1
477.30646	100.0
478.30978	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	478.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.3
61.18598	0.4
61.98825	100.0
69.32786	3.9
71.01370	4.3
73.02937	7.6
83.01374	2.2
83.08366	0.4
85.02946	1.0
89.02450	2.3
98.19901	0.6
99.00847	0.5
101.02435	8.2
113.02441	3.6
119.03521	1.2
123.00873	0.5
124.01675	1.2
125.02492	2.2
126.02787	0.7
131.03534	1.2
143.03487	1.3
145.02968	1.3
146.03299	0.7
149.04575	1.8
149.06068	3.5
149.09705	9.4
149.99590	2.0
151.00017	0.5
161.02461	1.2
161.04507	3.9
162.27411	0.5
163.04019	0.5
168.00647	4.7
169.01056	1.0
191.05585	1.1
245.70909	0.5
329.16003	0.6
332.07117	0.9
339.02576	0.6
371.17001	1.3
443.15982	0.7
478.10486	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	478.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35029	0.2
59.01378	1.0
60.27328	0.2
61.67504	0.2
61.98826	100.0
66.85519	0.2
69.29839	1.4
69.30260	0.6
71.01379	0.8
88.98814	0.5
89.02425	0.5
91.93954	0.2
108.02164	2.1
113.02443	0.3
117.03471	0.9
119.05026	0.6
124.43356	0.2
133.02965	1.5
134.03270	0.5
135.04541	0.9
135.08112	0.2
136.04861	0.4
145.02954	2.7
161.02425	3.7
161.03621	0.4
161.06165	0.5
162.02782	1.7
163.04082	0.9
179.03534	0.7
205.05127	0.5
235.06090	0.3
265.07144	0.7
351.55246	0.2
355.71878	0.2
461.14801	0.8
478.14407	2.9
479.15485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38102	0.2
59.01377	2.5
61.98827	100.0
65.03973	0.2
69.16953	1.2
69.17387	1.1
71.01376	1.4
72.99305	0.8
73.02951	0.7
77.14522	0.2
85.02946	0.4
89.02448	0.9
101.02462	0.8
108.02174	0.5
113.02496	0.6
119.03503	0.5
123.00906	0.4
123.04482	0.6
133.06549	0.3
135.04536	0.3
155.63000	0.2
161.02457	1.2
164.80885	0.2
212.11467	0.3
215.03743	0.3
232.51999	0.3
272.06989	0.3
287.09332	0.8
317.10373	0.7
395.17136	0.3
415.12411	0.5
443.19376	0.5
478.14664	0.3
479.16220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.4
59.86533	0.2
59.96242	0.2
60.01701	0.5
61.01838	0.2
61.98825	100.0
63.71766	0.2
71.01373	1.0
71.52644	0.3
72.47545	0.2
73.02969	0.3
85.02973	0.4
89.02447	0.5
101.02438	0.5
107.05044	0.2
113.02399	0.2
123.00858	0.2
124.01648	0.4
125.02470	0.9
126.02751	0.4
133.02937	0.7
134.03322	0.5
135.04506	0.6
145.02884	0.3
146.03313	0.5
149.99597	0.6
150.99925	0.3
155.23643	0.2
161.02429	2.2
162.02802	1.4
168.00618	1.3
169.01021	0.4
179.03566	0.3
180.11124	0.2
185.11848	0.3
191.05635	0.3
199.13414	0.3
212.13866	0.2
227.13007	0.2
272.19711	0.3
326.67792	0.2
331.06702	0.3
434.21149	0.5
478.10645	1.8
478.15118	1.0
478.24240	0.2
479.20609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79066	0.3
59.01376	3.6
60.89539	0.4
61.98825	100.0
69.25502	3.1
71.01393	1.1
73.02974	0.4
74.53565	0.3
74.77987	0.3
76.97807	0.3
89.02460	0.7
101.02444	0.8
113.02472	0.4
133.03000	0.8
135.04475	0.8
136.04869	0.4
152.07208	0.7
152.25645	0.4
161.02463	3.4
162.02765	1.6
184.03947	0.4
186.40608	0.3
191.05707	0.3
197.27739	0.3
257.13013	0.5
259.50766	0.3
398.17734	0.4
478.14090	2.6
478.20029	0.9
478.25247	0.4
479.15500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01107	0.3
59.01379	4.1
60.01708	0.3
61.46015	0.2
61.98827	100.0
68.33836	0.2
69.03449	0.2
70.35916	0.2
70.54146	0.7
71.01383	1.3
73.02956	0.4
85.02956	0.5
89.02451	0.4
98.20677	0.2
101.02426	1.0
103.86212	0.2
107.05020	7.0
107.05730	0.4
107.20511	0.2
112.88733	0.2
113.02459	0.7
119.17425	0.2
125.02451	0.3
132.38995	0.2
133.02951	0.3
135.04539	0.7
137.60046	0.2
139.11298	1.0
151.04010	1.7
161.02495	1.2
161.04555	1.1
162.02783	0.4
163.04010	2.7
164.04367	0.6
166.41423	0.2
178.06329	2.5
179.03448	0.2
179.06735	1.0
183.10254	3.6
183.11852	0.3
191.05615	0.4
193.08687	3.9
194.09029	2.2
212.85541	0.2
213.14932	0.4
237.30734	0.2
418.25351	0.4
478.15152	0.6
478.24142	0.2
479.25180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.1
61.98827	100.0
71.01380	2.2
71.53317	0.6
73.02956	0.8
85.02959	1.4
89.02456	0.6
89.41562	0.3
96.10860	0.3
98.71336	0.3
101.02445	1.6
113.02432	0.8
115.78790	0.3
133.02940	0.5
135.04567	0.5
151.04044	0.5
161.02470	1.0
161.04544	0.7
162.02779	0.7
191.05626	0.5
238.07176	0.3
253.09764	1.2
254.10147	2.2
290.80188	0.4
297.09116	0.5
298.09207	1.4
317.27133	0.3
478.14651	0.8
479.32300	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	479.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40960	0.6
56.43539	0.5
56.70498	0.6
60.99010	1.0
60.99303	14.3
71.33247	1.4
80.29012	0.6
82.19550	0.5
88.98802	100.0
164.48927	0.6
389.11139	0.9
464.54108	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1553
Annotation	Paeonin B
Peak:m/z	Relative Intensity
59.01376	6.8
61.98825	10.6
67.01870	1.4
71.01373	3.3
71.07365	1.3
73.02950	2.5
75.00863	1.0
82.77388	0.8
83.01368	1.1
85.02954	0.9
88.98806	1.8
89.02447	2.2
95.01382	2.0
101.02419	1.4
108.02162	25.2
109.02936	3.5
111.00854	5.4
113.02378	1.2
116.92869	1.0
119.03504	0.7
121.02955	2.1
122.02483	4.7
123.00007	1.5
123.00876	27.7
123.04523	20.0
124.01666	18.5
133.02930	1.9
135.04486	2.7
136.01633	0.8
136.04019	1.3
137.02400	2.5
144.82504	0.8
147.00890	5.3
148.01628	2.9
149.02379	1.4
150.03136	0.9
153.05566	3.3
154.97626	0.8
161.02448	6.9
162.03183	4.2
163.04004	8.1
165.21425	0.9
167.03362	0.8
167.10890	0.8
177.52043	0.9
179.03444	2.3
181.05009	0.9
190.67946	0.7
191.05769	0.8
198.97736	0.9
208.09334	0.8
257.04535	3.9
271.06046	1.0
272.06857	24.4
273.07147	2.1
287.09235	70.4
288.09631	4.6
317.10266	100.0
318.10654	6.6
323.07794	0.8
389.00571	0.8
435.08801	1.8
441.17465	1.4
449.14325	1.4
479.15475	4.5
480.27972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01571	1.4
51.66468	1.6
52.54443	1.5
58.00584	4.5
59.01375	100.0
60.01711	1.8
61.98824	27.4
69.65488	5.7
69.65909	3.0
70.78599	1.5
71.01376	62.5
72.99290	4.3
73.02939	4.9
73.88741	1.4
77.93562	1.4
79.05538	1.9
79.71108	1.7
81.03456	6.0
83.01386	4.3
85.02938	11.9
87.00863	4.4
89.02439	78.7
95.01372	3.8
95.05022	4.0
99.00868	2.6
99.04528	10.3
101.02440	32.7
107.05004	4.3
108.78094	1.5
113.02438	23.2
113.06029	3.3
119.03492	32.2
131.03464	4.5
139.07677	2.8
143.03514	9.6
149.04495	3.2
159.11707	2.8
161.02365	1.9
161.04512	11.2
179.05600	30.5
187.11266	37.6
198.43932	1.7
219.13849	8.0
220.14314	1.7
231.10286	5.9
255.11668	1.6
263.12836	46.9
264.13290	2.5
287.20203	2.4
317.27063	1.8
363.17993	2.3
400.02716	1.8
443.19223	26.0
444.19681	1.9
479.26413	2.4
479.32300	21.7
480.33185	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79546	0.4
57.03452	2.2
59.01376	6.3
61.98826	23.8
69.03455	3.8
71.01377	10.5
71.05014	0.7
73.02938	2.8
77.19682	0.4
83.01410	1.0
85.02945	3.8
87.00887	0.5
88.98827	0.7
89.02461	1.3
93.03462	0.6
95.01383	0.6
95.05029	0.6
97.02898	0.4
99.00873	1.2
101.02435	6.5
106.04240	0.6
107.05024	100.0
108.05377	2.3
111.08154	0.4
113.02442	5.6
113.06067	1.3
121.02947	0.6
122.71216	0.4
123.04525	1.2
125.02417	1.0
135.04564	0.9
137.05977	0.5
139.11284	14.8
140.11578	0.7
140.90694	0.4
143.03477	0.7
151.04004	26.1
152.04317	0.5
159.03018	1.3
161.02417	0.6
161.04546	8.1
163.03981	2.8
165.09227	0.5
178.06326	2.4
183.10243	56.1
184.10623	2.1
191.05670	0.9
193.08701	3.8
194.09093	0.5
197.11777	0.5
213.14818	0.5
225.11143	0.6
229.38829	0.5
403.48962	0.5
419.26767	0.6
427.36743	0.5
449.68771	0.4
479.19189	0.8
479.24918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.1
59.01375	100.0
60.01707	0.8
61.98827	1.6
66.17020	0.1
69.85674	0.7
71.01355	1.0
71.38437	0.1
73.02948	0.4
79.41904	0.2
85.02956	0.4
87.04510	4.8
99.00875	0.2
101.02467	0.6
113.02431	0.3
161.02446	0.2
161.04485	0.2
164.99500	0.1
167.04817	0.1
179.03551	0.2
227.31789	0.1
275.05716	0.1
317.21167	2.0
377.21875	0.4
419.22900	0.2
479.26135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01707	0.6
61.98822	1.8
70.94653	0.4
70.94970	0.5
80.74364	0.3
87.04516	8.2
87.05064	0.4
87.95757	0.3
90.62302	0.3
101.02435	0.4
108.78551	0.4
324.58752	0.3
461.29230	0.3
479.26434	0.9
497.29025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.4
61.98826	13.7
71.01372	4.4
71.05069	1.0
72.94511	0.8
72.99306	0.9
75.00875	1.1
78.03489	2.5
85.02939	1.8
89.02436	1.9
101.02450	2.1
107.05033	1.5
108.02158	13.4
108.04581	0.9
109.02980	1.1
113.02438	2.8
119.03457	0.9
119.05010	8.0
122.02473	100.0
123.00876	1.1
123.02831	2.3
123.04536	2.7
133.03018	1.1
134.03688	1.0
135.04521	11.1
136.04027	36.3
139.03990	3.2
153.01797	0.8
153.05565	1.8
155.03462	1.1
161.02428	4.2
163.04004	9.3
164.03525	6.0
165.02061	0.7
168.00670	0.9
179.03441	1.7
191.05617	4.8
261.02612	0.9
273.07236	1.4
287.09192	3.2
288.09528	4.2
317.10251	2.4
318.10669	6.5
364.11844	0.8
420.12671	1.2
480.27823	1.2
481.17282	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	480.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38264	0.3
55.52751	0.3
59.01376	31.9
61.98827	100.0
69.27847	2.6
69.28249	0.6
71.01379	2.5
73.02940	1.2
85.02958	1.1
87.00882	0.4
89.02446	1.5
93.03460	0.4
93.57485	0.3
99.00873	0.4
101.02444	1.7
113.02431	1.6
116.12585	0.4
119.03500	0.7
125.84839	0.3
135.04543	0.4
143.03584	0.4
161.02472	1.0
161.04584	0.9
167.82423	0.3
170.07158	0.3
173.04591	0.5
187.07532	0.3
191.05602	10.8
214.41618	0.4
231.10159	0.4
331.17651	1.7
373.18686	1.5
449.14804	1.3
481.17371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00610	0.3
59.01377	48.2
60.01707	0.4
61.98827	100.0
63.06321	0.3
71.01386	3.8
71.52625	0.3
73.02938	1.8
83.01377	0.6
85.02956	1.6
89.02438	2.4
93.34014	0.3
99.00836	0.4
99.31466	0.3
101.02436	3.1
101.04072	0.3
113.01716	0.4
113.02414	2.1
119.03482	1.2
131.03542	0.4
133.02945	1.4
134.45673	0.3
135.04518	0.8
138.39499	0.3
146.03220	0.3
161.02425	2.8
161.04469	0.9
162.02682	0.8
166.36638	0.3
178.26822	0.3
179.03432	0.6
179.05507	0.4
191.05614	2.1
313.16309	0.7
331.17566	1.8
373.14624	0.3
373.18637	3.1
374.18509	0.4
480.14359	1.7
480.19876	1.7
481.16528	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23739	0.6
59.01070	1.4
59.01376	38.9
61.98827	100.0
71.01392	2.4
72.75937	0.5
73.02963	2.2
77.07329	0.5
85.02960	1.3
89.02449	1.9
98.20691	1.4
101.02448	2.8
111.48774	0.5
113.02451	2.5
115.41737	0.6
119.03497	1.0
149.49814	0.6
161.02472	1.9
191.05658	2.4
235.11217	0.7
313.16525	1.4
331.17697	1.8
373.18716	1.9
401.51566	0.6
401.57172	0.7
470.93781	0.6
480.25665	1.0
481.17532	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71226	0.3
59.01374	2.8
65.30473	0.3
69.60625	1.6
71.01377	2.7
73.02938	0.7
73.26202	0.3
82.82214	0.3
83.01374	0.6
85.02943	1.2
87.00858	0.3
88.45457	0.2
89.02446	0.6
94.33858	0.3
101.02441	1.5
109.06559	0.5
113.02444	0.8
117.03451	1.4
121.87020	0.3
123.04519	0.4
132.02170	1.3
133.02950	26.4
134.03374	0.8
135.04512	7.9
145.02951	0.6
157.08678	0.8
161.02426	100.0
162.02785	3.5
177.05557	0.3
179.03479	4.4
198.52963	0.3
200.61893	0.3
212.14546	0.2
216.29211	0.2
255.97523	0.3
271.96371	0.3
481.17087	58.8
482.17419	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	481.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.2
61.98825	0.4
70.60248	0.7
71.01379	3.0
72.99270	0.2
73.02936	0.7
77.43704	0.2
83.01392	0.4
85.02942	1.8
87.00851	0.5
89.02428	1.1
89.03958	0.3
93.03454	1.1
99.00860	0.3
101.02428	1.8
102.30269	0.2
105.03397	0.4
111.04532	0.5
113.02438	0.7
117.03497	1.6
117.16225	0.2
119.03510	0.3
119.05014	0.7
121.02893	0.2
124.43797	0.2
132.02150	1.5
133.02950	27.3
134.03856	0.5
135.04514	8.4
136.04814	0.4
137.02390	0.3
139.07649	0.3
145.02945	3.5
157.08696	0.9
161.02429	100.0
162.02769	3.7
163.03973	1.2
163.99879	0.2
173.04552	0.4
177.05585	0.3
179.03494	5.5
191.05609	6.5
205.04964	0.6
215.07176	0.3
221.04390	0.3
257.08212	0.5
275.09140	0.2
304.73233	0.2
449.14407	0.7
463.16141	1.9
481.17102	72.8
482.17447	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	481.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
60.90749	0.4
61.98812	1.4
69.63521	2.4
71.01382	0.9
75.00831	0.5
77.78043	0.4
88.98782	1.0
89.02438	0.8
108.02148	0.6
131.50737	0.4
134.03760	0.6
135.04523	0.6
136.01642	3.2
137.02426	0.7
139.03972	1.3
149.06073	0.7
151.03978	2.9
161.02365	0.9
167.03496	0.6
183.06593	0.5
185.06055	1.0
195.04501	1.4
196.04930	0.5
197.06056	0.5
212.04640	0.9
213.05556	9.9
214.06015	0.8
223.02121	0.4
223.04015	2.2
224.04689	1.1
239.03413	0.5
240.04343	0.8
241.05032	58.7
242.05367	2.9
255.06657	0.8
256.07385	43.9
257.07675	1.9
259.02460	0.8
271.09720	100.0
272.10052	5.7
319.11816	23.8
320.12070	1.5
481.09769	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01383	3.8
60.99306	5.3
61.98500	0.5
61.98827	12.5
67.01887	12.5
69.03457	4.0
69.47636	2.7
69.48043	0.8
71.01370	4.7
71.05009	0.5
73.02925	0.7
78.85777	0.5
81.03448	2.3
83.01353	0.6
83.05043	2.1
84.28963	0.4
85.02941	1.3
87.00332	1.0
87.00874	21.6
93.03453	100.0
94.03778	1.6
97.02958	0.4
97.06602	1.2
99.00877	2.0
99.04526	1.8
101.02448	1.1
108.02219	0.5
109.02948	1.5
111.03732	0.7
111.04512	13.9
113.02412	2.0
115.04019	1.2
129.01903	2.6
133.02937	1.6
134.03738	19.6
135.04489	1.8
136.48691	0.4
137.02435	4.6
140.70102	0.5
143.03433	0.7
153.05530	0.5
155.03496	2.6
161.02402	1.0
173.04536	62.1
174.04852	1.4
177.01935	0.8
178.02728	2.9
179.03445	0.6
179.39351	0.4
191.05528	2.1
208.39815	0.5
271.95847	0.5
275.09268	1.1
296.37164	0.5
307.11823	3.9
386.14606	0.6
449.14551	12.5
450.14954	1.5
481.17108	53.4
482.17477	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	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75000	0.3
57.03454	0.8
58.87627	0.3
59.01376	3.4
61.41859	0.3
61.98827	5.4
69.03455	0.8
69.47161	2.3
71.01379	3.7
73.02943	1.4
79.01858	0.4
81.03442	1.2
85.02944	3.2
93.03427	0.4
95.01377	2.3
99.00871	0.4
101.02452	1.9
108.02167	57.5
109.02951	40.6
110.03270	0.8
113.02425	1.9
121.02893	0.7
121.81246	0.4
123.00858	1.2
130.19730	0.3
133.02962	0.5
135.00919	0.7
139.11273	2.2
139.21819	0.4
145.02940	0.9
151.03976	0.7
152.01140	61.4
153.01932	14.8
161.02428	0.5
161.04601	0.4
163.03935	1.1
165.01907	0.8
168.48613	0.4
179.03397	0.4
183.10220	2.3
198.51845	0.4
279.11472	0.3
291.98648	0.4
315.07278	1.8
358.79306	0.4
445.15149	0.8
481.17090	100.0
482.17386	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	481.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.4
57.03447	1.6
58.00586	2.0
59.01377	39.4
61.98825	1.6
65.03957	1.1
71.01379	47.6
71.51072	1.0
72.99320	3.9
73.02950	7.9
75.00871	1.4
81.03446	0.9
83.01387	5.8
85.02943	20.0
87.00877	3.3
88.98806	1.5
89.02438	34.6
90.02794	0.6
90.56615	0.6
95.01370	3.8
96.96004	3.8
97.02934	1.7
99.00883	4.1
100.80795	0.7
101.02438	38.0
108.02173	1.4
111.04502	2.6
113.02446	27.7
114.02770	0.7
119.03492	14.4
121.02898	0.7
121.06602	0.7
125.02432	2.2
131.03456	2.1
136.01605	1.2
139.03973	1.7
139.07639	1.3
143.03479	5.2
143.50056	0.7
151.03998	1.6
157.08704	11.4
159.02977	2.4
161.02426	1.2
161.04539	16.8
161.08167	1.0
165.01897	1.0
179.05602	7.8
183.06549	1.1
191.05569	1.9
237.05713	1.1
241.04994	2.6
252.07761	1.2
253.05040	0.8
253.10855	0.8
256.07425	1.0
271.09738	4.6
283.09766	2.0
304.67587	0.9
319.13965	46.3
320.14383	2.9
323.09979	1.6
407.45407	0.7
481.19238	100.0
482.19516	8.7
494.66147	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46547	0.6
55.01880	0.8
57.03454	0.7
59.01370	5.6
60.99298	0.9
61.98830	15.8
67.01877	1.6
69.03452	0.7
69.63190	1.3
69.63610	2.7
70.89953	0.5
71.01376	11.3
72.99329	0.7
73.02939	2.6
74.29771	0.6
74.61135	0.5
81.03462	1.1
83.01374	1.5
83.04988	0.7
85.02953	4.3
87.00878	2.6
93.03459	11.0
99.00905	1.1
101.02444	6.8
106.00632	0.6
106.04238	1.2
107.05028	93.5
108.05346	1.9
109.02980	0.7
111.04520	1.7
112.47589	0.6
113.02445	6.1
121.02953	0.9
123.04533	0.9
125.02473	1.3
130.51337	0.6
133.02902	0.7
139.11278	0.9
141.12814	2.4
143.03552	1.1
145.02939	0.8
151.03999	33.2
156.95563	0.8
161.02432	1.3
161.04552	6.8
173.04530	6.3
185.11818	100.0
186.12201	3.4
199.13350	2.0
227.12901	3.3
269.13940	1.6
277.17938	0.7
281.13724	1.1
449.14548	5.2
481.17178	3.4
481.22168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03447	1.4
57.63816	0.5
58.00588	2.0
59.01376	20.5
61.98832	0.7
65.35874	0.4
69.03448	1.6
71.01379	20.4
71.05021	0.7
72.99271	0.8
73.02944	3.7
83.01387	2.2
83.05030	0.7
85.02941	9.4
86.03273	0.4
87.00867	2.4
87.04513	0.5
89.02439	16.9
93.03453	3.3
94.25576	0.5
95.01382	1.0
97.02931	1.5
98.20661	1.1
99.00867	1.1
101.02439	13.0
103.03971	0.5
109.02940	1.1
111.04497	0.5
113.02425	6.0
115.03968	0.6
119.03498	6.8
119.04971	1.0
123.00894	0.6
124.01688	0.9
125.02444	2.0
127.04001	1.3
131.03493	1.1
133.02962	1.5
133.05058	6.3
135.04541	0.9
137.02460	1.5
139.11269	1.1
141.12842	3.6
143.03485	1.6
145.02922	1.7
145.05029	1.2
149.04527	0.8
149.99573	1.3
151.06114	13.2
152.06389	0.4
153.12880	0.7
161.02446	4.3
161.04523	2.1
162.02864	0.5
163.04047	0.8
163.11447	0.4
165.12863	1.1
168.00600	3.0
171.13902	6.2
173.04446	0.5
175.06102	6.2
179.03497	0.8
179.05576	3.6
181.12288	1.1
185.11812	100.0
186.12154	3.4
191.05600	42.7
192.05927	1.1
199.13380	15.6
200.13757	0.6
205.07213	0.8
209.11827	3.6
217.07170	1.8
227.12875	15.8
228.13199	0.6
231.10345	1.0
239.12912	0.7
245.11850	0.5
257.13922	2.3
275.09113	0.5
287.14951	1.3
289.10764	0.6
295.10309	24.5
296.10718	1.4
313.11377	21.6
314.11749	0.9
449.14487	4.0
463.16226	0.6
481.09686	3.8
481.16617	3.1
481.22287	4.7
482.23145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.31271	0.5
57.03420	0.9
57.62735	0.6
58.00576	2.6
59.01374	68.0
60.01720	0.6
61.98822	5.7
69.03454	1.2
71.01376	56.7
71.06178	1.0
71.06535	0.8
72.99285	2.5
73.02943	16.6
75.00871	1.0
83.01379	2.0
85.02941	6.3
87.00874	2.2
89.02439	100.0
90.02759	1.0
90.98923	0.6
93.03463	1.3
95.01402	1.7
97.02948	2.0
99.00874	33.8
99.04490	0.8
101.02436	37.7
102.02787	1.0
102.31456	0.6
108.02138	0.8
109.02929	1.3
111.04510	0.7
113.02436	10.1
115.04015	0.8
119.03488	6.5
119.04956	2.8
121.02946	1.6
123.04548	0.7
125.02432	5.7
131.02539	1.2
131.03494	16.6
132.03821	0.5
132.12717	0.6
133.02960	1.1
135.04544	1.1
137.02452	1.4
139.04025	4.5
143.03508	2.8
149.04541	77.3
150.04895	1.5
153.01913	2.2
155.03511	0.7
161.02415	2.7
161.04504	3.8
163.03978	3.9
165.01929	0.7
179.05632	2.3
183.06558	0.7
191.05605	18.0
192.05972	1.0
221.06647	4.1
251.07660	7.9
293.08859	1.9
311.09943	2.1
319.08185	2.4
319.13715	0.8
345.08279	2.2
349.18677	0.9
421.20981	0.6
429.92456	0.6
481.13278	1.0
481.23059	37.5
482.23447	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.6
55.11230	1.4
57.03443	4.5
59.01376	80.8
61.84595	1.8
61.98826	49.1
69.38126	8.0
69.38539	3.9
71.01379	65.7
72.99320	2.2
73.02944	27.2
82.21380	1.5
83.01363	8.9
85.02943	33.3
87.00880	4.6
87.51327	1.6
89.02435	12.6
93.03465	9.6
95.01383	4.6
97.02946	2.6
98.08401	1.6
99.00871	11.9
101.02431	50.4
103.91209	1.4
107.05039	4.0
109.39697	1.5
111.00848	2.8
113.02445	27.8
125.02390	2.5
133.02939	5.5
135.04514	2.1
143.03484	3.8
145.02953	3.2
149.04529	1.6
151.11179	1.9
159.02989	5.0
161.02470	10.8
161.04532	29.9
173.04594	3.2
190.62473	1.7
191.05629	20.2
196.13910	1.6
197.68523	1.7
266.45447	1.7
277.18057	3.2
289.16553	94.4
290.16901	6.4
293.08823	2.1
353.10165	2.3
421.20740	100.0
422.21066	6.3
424.69730	1.9
466.13504	2.9
472.13770	3.6
479.77502	1.8
481.16891	13.3
481.26630	3.1
482.17679	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	481.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86134	1.2
78.95433	2.2
78.95894	43.0
95.91190	1.1
96.96954	3.5
98.20676	2.5
107.48539	1.1
137.17279	1.0
140.30016	1.2
152.99576	64.3
171.00635	16.2
184.72316	1.3
227.03220	3.9
245.04291	100.0
246.04723	1.9
253.21706	65.3
254.21979	3.2
280.71255	1.3
481.25668	53.1
482.26028	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	482.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71284	0.6
58.84288	0.6
59.01375	36.0
60.01707	0.9
61.98826	100.0
65.64381	0.6
69.41419	2.4
69.41848	2.6
71.01380	2.3
73.02936	1.1
83.26296	0.7
85.02951	0.7
85.23683	0.7
88.63965	0.6
89.02448	2.3
91.27728	0.6
101.02446	1.6
113.02441	1.3
119.03536	0.9
131.62170	0.6
143.03505	0.7
145.66054	0.7
183.10228	1.7
184.10638	1.0
191.05672	0.9
196.96916	0.7
198.10271	0.6
214.77150	0.6
292.27194	0.6
296.97647	0.6
315.18298	1.1
333.19275	1.8
368.66803	0.8
375.20114	3.5
468.33398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52751	0.9
59.01071	1.4
59.01377	33.6
61.98827	100.0
71.01362	1.1
73.02937	1.2
85.02934	1.0
98.19846	1.7
101.02408	1.4
137.22479	1.0
170.95433	0.8
191.05533	1.4
333.19196	3.5
336.09665	0.9
375.20197	2.7
458.39413	1.2
484.85559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	37.0
59.89527	0.5
60.64321	0.5
61.98827	100.0
67.80016	0.5
69.43212	0.8
69.43620	2.9
70.78268	0.6
71.01386	2.8
73.02945	1.3
73.35207	0.5
83.01395	0.8
85.02953	1.7
89.02449	0.6
89.72021	0.5
95.01392	0.7
101.02433	3.1
108.02168	3.1
109.02992	5.4
110.03265	2.6
113.02463	1.1
117.03481	1.5
119.05051	1.1
139.45322	0.6
143.65854	0.6
145.02940	8.2
146.03310	2.3
147.14030	0.5
152.01180	2.3
153.01932	3.6
154.02338	1.5
161.04573	1.5
163.04091	1.4
315.18213	1.2
333.19202	3.0
375.20242	8.2
376.20795	0.8
445.15277	3.3
446.15414	5.0
447.15964	0.7
482.17511	10.5
483.17584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	24.1
61.98828	100.0
70.94695	1.3
71.01385	10.3
73.02942	11.9
81.57064	0.6
83.01396	2.4
85.02948	1.7
87.00906	0.6
89.02436	4.0
99.00916	0.6
101.02441	10.7
102.02751	0.6
109.02935	0.9
113.02451	5.6
119.03517	1.6
125.02529	0.7
131.03508	1.5
133.03012	0.6
143.03484	1.0
149.04570	2.4
153.01950	1.5
155.03494	0.5
161.02466	1.6
161.04550	4.7
166.89908	0.6
179.03377	0.7
180.52246	0.5
221.06686	0.6
463.09192	0.6
482.18076	1.2
483.29727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05884	0.4
59.01376	42.4
60.01701	0.5
61.98825	100.0
71.01379	4.2
71.52420	0.8
73.02949	1.0
83.01417	0.8
85.02959	2.0
89.02453	1.8
97.81785	0.5
99.00869	0.6
101.02432	3.5
111.00897	0.7
113.02451	1.3
121.02859	0.6
153.05559	1.0
161.02429	0.7
161.04590	1.1
190.19121	0.5
315.18225	1.2
326.49927	0.5
328.07724	1.1
328.57916	0.7
333.19009	4.2
375.20157	7.2
376.20529	0.6
414.10617	0.6
422.21173	1.2
482.13229	1.4
482.63477	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.114
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
59.01365	2.4
60.97095	0.6
61.53382	0.6
61.98820	0.7
66.75306	0.7
68.99810	3.6
69.03436	1.1
69.47020	5.4
71.01376	4.9
72.99285	0.7
73.02944	2.1
83.01407	1.9
85.02956	6.1
87.00872	2.6
89.02441	1.0
95.01365	1.1
96.95996	2.1
97.02908	1.0
98.20608	1.6
99.00879	6.6
101.02431	2.9
110.09332	0.7
111.00867	3.1
113.02437	7.8
113.99576	19.4
115.00372	8.9
117.03471	0.9
119.05009	10.8
119.73844	0.8
127.00394	3.0
129.01926	3.4
130.55994	0.7
133.02957	13.2
135.04507	4.0
139.00349	1.6
141.01880	0.9
145.02896	2.1
157.01398	6.2
161.02431	44.3
162.02748	2.1
163.03979	9.5
169.01337	1.2
174.00233	1.4
174.01668	18.7
175.02414	2.1
179.03471	2.2
277.05630	39.0
278.05997	1.4
302.08084	0.8
337.07736	100.0
338.08231	4.8
412.04324	0.8
423.09314	2.3
483.11383	83.4
483.18704	36.2
484.11743	7.8
484.19186	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90955	0.8
59.01376	100.0
60.01721	1.0
61.98826	2.3
69.27425	2.9
69.27859	3.1
71.01380	6.7
73.02955	2.4
77.83710	0.7
83.01376	1.2
85.02986	1.0
89.02463	2.7
101.02466	2.1
113.02473	2.3
121.02992	0.9
122.06155	1.2
135.08177	1.0
165.52394	0.7
329.23642	1.5
423.13132	0.9
444.36578	0.8
483.33551	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	483.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97053	0.3
53.52905	0.2
55.01873	0.4
59.01386	2.1
61.37244	0.3
66.04553	0.3
69.86272	1.4
71.01375	2.3
72.74512	0.3
73.02944	1.0
77.03973	0.2
78.95890	0.7
79.95778	0.4
83.01382	0.6
85.02934	1.6
87.00888	0.3
89.02452	0.7
93.03424	0.3
95.01379	0.5
96.96008	10.0
96.97001	0.7
99.00877	0.8
101.02448	1.7
101.40594	0.3
105.03460	0.6
108.02162	0.3
113.02457	1.4
113.99595	1.1
115.00320	0.3
117.03443	0.9
119.05042	0.7
129.01990	0.3
132.02133	0.7
133.02954	25.1
134.03589	0.6
135.04527	6.5
137.02440	0.4
137.05936	0.4
153.87003	0.3
161.02432	100.0
162.02773	3.5
163.03998	0.9
163.82562	0.3
171.16769	0.3
174.01697	0.9
179.03502	4.6
209.04538	0.5
269.06952	0.3
277.05560	2.1
337.07715	5.1
341.84271	0.3
465.14005	0.3
481.64664	0.3
483.11740	5.4
483.18643	80.5
484.12363	0.4
484.19006	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	483.1868
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
55.01865	0.2
59.01373	2.2
61.98814	0.5
69.25820	1.8
69.26230	0.4
71.01063	0.3
71.01382	2.8
73.02944	0.8
77.34383	0.2
83.01365	0.4
85.02917	1.3
87.00861	0.5
89.02446	0.6
92.51508	0.2
99.00909	0.4
101.02439	1.6
105.03427	0.5
108.81404	0.2
109.02997	0.2
113.02434	1.0
116.30010	0.2
117.03468	2.3
119.04996	0.7
132.02141	1.4
133.02951	29.1
134.03751	0.7
135.04507	7.5
137.02443	0.6
145.02948	4.6
159.03021	0.4
159.10286	0.3
161.02431	100.0
162.02779	3.7
163.03987	1.0
177.01921	0.3
179.03490	3.8
180.03943	0.3
183.10199	0.3
191.05615	0.4
244.46300	0.3
271.80045	0.3
483.18689	77.6
484.19073	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	483.2022
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
59.01376	53.6
61.98819	3.0
69.03403	1.3
71.01366	1.2
71.67417	0.6
76.49627	0.8
79.12862	0.8
82.94874	0.8
88.70446	0.7
112.52403	0.8
113.02415	0.9
123.04504	0.7
137.02385	1.3
151.03970	3.0
161.02414	2.2
162.03174	3.1
163.03949	1.4
172.05333	0.8
173.06027	2.1
174.03194	1.4
175.03946	2.4
176.01161	1.0
176.04720	2.3
177.01909	2.9
177.05524	2.5
187.03935	1.3
188.04803	1.4
189.01869	1.2
189.05531	3.8
190.02687	12.1
190.06311	2.6
191.03479	6.7
191.07092	6.7
192.04144	1.7
201.05540	3.1
202.02560	1.1
202.06378	2.1
203.03519	5.0
203.07097	3.3
204.04222	3.5
205.05029	27.1
206.05353	1.2
210.01852	0.9
213.05278	0.9
215.07114	1.1
216.04242	1.0
217.05092	3.0
218.05766	4.9
219.06595	26.7
219.09973	1.3
220.07132	1.9
230.05742	2.1
231.06557	7.0
232.07216	1.3
233.08145	2.7
234.08986	1.0
245.08188	1.4
246.08916	1.5
247.05949	1.6
247.09787	1.2
257.08188	1.5
259.09769	2.9
275.09280	1.5
317.73199	0.8
371.11395	1.5
386.13708	1.2
397.12436	1.3
397.17242	0.9
410.13641	1.0
412.14981	1.3
421.16547	1.0
425.16043	12.9
426.16696	1.4
439.13229	1.1
440.18091	0.9
449.14914	1.0
450.16962	1.6
451.17816	1.0
454.16312	2.4
467.17532	4.0
468.17795	7.8
483.20206	100.0
484.20560	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	483.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	2.3
60.24969	1.3
61.98825	1.4
69.79510	6.4
70.12464	1.2
71.01373	2.2
72.32684	1.3
73.35329	1.3
76.78151	1.3
95.01377	1.9
97.06570	13.0
98.19988	1.7
121.06647	2.5
124.01664	3.7
126.26393	1.3
133.02818	1.5
139.69830	1.4
149.02415	1.8
149.06027	1.8
151.03970	2.9
177.05560	3.0
180.55963	1.3
219.06650	3.3
253.04967	2.3
269.08115	2.8
283.06317	2.0
283.09769	1.9
298.08575	3.8
313.10529	2.9
334.04099	1.4
343.11859	34.3
371.11328	93.0
372.11804	8.6
386.13681	100.0
387.14203	10.9
451.17307	2.3
483.31223	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	483.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59305	0.4
57.03448	1.9
58.00584	7.0
59.01376	32.1
61.98826	5.0
69.03452	2.0
71.01375	29.0
71.05025	1.5
72.06534	0.5
72.99313	1.9
73.02953	2.2
74.51043	0.6
75.00878	2.5
81.03474	0.9
83.01395	2.1
83.05033	1.6
85.02952	7.1
87.00854	1.0
87.04511	2.6
89.02440	16.3
91.05530	1.0
95.01389	1.9
97.02962	1.1
97.06566	0.6
99.00883	1.2
101.02435	11.7
107.05022	4.2
108.02168	25.6
109.02335	0.7
109.03062	2.9
113.02448	13.9
114.11735	0.5
119.03489	7.1
122.03727	1.5
123.04524	3.2
123.11805	1.2
125.02417	1.0
131.03490	0.6
134.03740	6.8
135.04517	43.2
135.11809	3.0
136.04765	0.5
139.03954	0.4
139.11284	1.9
141.12852	7.6
143.03494	1.3
143.38913	0.6
145.02951	0.8
149.04541	0.6
149.09669	0.9
151.11276	1.2
152.01128	2.7
153.01569	1.9
153.05554	6.1
153.12840	1.5
154.01660	0.7
161.04611	2.8
162.01521	0.5
163.11200	0.6
165.12834	4.7
167.10797	2.0
169.12331	1.6
171.13889	23.5
172.14241	1.4
179.05568	2.4
181.12334	2.8
183.13857	1.3
185.11807	100.0
186.12144	2.8
197.11836	1.2
199.13382	58.2
200.13725	2.3
209.11806	13.2
210.12242	0.7
221.11903	0.8
225.91472	0.7
227.12863	81.7
228.13127	3.4
229.50703	0.6
237.26207	0.5
239.12912	2.6
257.13922	5.0
281.13834	0.7
287.14920	2.1
297.09750	10.3
315.10846	15.7
316.11224	0.9
372.69968	0.5
483.16861	7.8
483.22717	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	483.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
59.01376	100.0
61.98824	4.1
69.03452	2.7
71.01379	18.4
73.02940	16.1
83.01374	4.4
83.05010	5.1
85.02959	4.2
89.02432	5.0
98.20670	2.7
101.02437	15.8
103.43957	1.1
113.02440	11.9
119.03519	3.1
125.76447	1.2
131.03496	2.5
134.78799	1.0
143.03490	1.4
145.02988	1.1
155.03564	1.8
161.04550	5.3
165.12828	1.2
181.46906	0.9
201.12819	1.7
235.17032	8.8
261.14926	2.2
332.67532	1.1
335.22202	2.2
336.83719	1.3
483.29126	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	483.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65462	0.5
59.01375	100.0
60.01725	0.6
61.98819	1.7
69.32035	4.8
76.44735	0.5
99.73136	0.5
102.32944	0.6
151.04041	0.6
153.11092	0.5
162.21071	0.5
282.71066	0.6
371.10873	0.6
431.68198	0.6
439.32333	1.7
451.17639	1.0
483.20068	1.6
483.31363	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	483.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61791	0.5
76.72323	0.5
78.95900	17.8
85.60496	0.5
96.96941	1.3
109.82940	0.6
132.06979	0.6
141.10371	0.5
150.97984	0.9
152.99577	32.1
171.00638	1.8
220.00476	0.5
227.03252	3.7
242.30118	0.5
255.23270	100.0
256.23608	7.0
292.82175	0.5
391.22546	0.7
483.27255	69.1
484.27615	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	484.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	38.2
61.38661	0.5
61.98827	100.0
64.04655	0.5
64.84428	0.5
68.35171	0.6
69.42003	3.3
69.42407	0.8
71.01379	1.3
85.02966	0.8
89.39954	0.5
99.28716	0.6
101.02455	1.6
226.30110	0.6
317.19815	0.7
335.20877	2.1
368.09985	0.7
377.21732	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	484.203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29592	0.7
59.01070	1.0
59.01374	38.0
61.98825	100.0
71.01373	0.9
79.01275	0.6
85.02950	1.3
89.37164	0.6
98.20775	1.2
101.02454	1.8
104.27567	0.7
110.26976	0.6
176.04402	0.7
281.00317	0.7
317.19708	1.4
335.20859	3.1
377.21786	3.6
441.74326	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59926	0.9
55.01876	1.4
56.56916	0.7
58.00599	1.1
59.01376	100.0
59.98490	1.0
69.03453	1.9
71.01376	39.7
72.99300	1.8
73.02941	68.3
74.40763	0.8
79.05518	2.8
81.03436	3.5
83.01379	18.0
83.97927	0.8
85.02947	5.2
89.02435	9.4
93.07094	1.8
94.89239	0.8
95.01376	2.2
95.05006	3.6
98.20693	2.0
99.04514	13.0
101.02435	54.0
106.04216	1.3
107.05024	6.0
113.02444	17.8
113.06053	3.1
119.03481	5.3
125.02425	1.6
131.03525	5.2
139.07631	3.5
143.03488	4.4
147.03004	0.9
149.04552	4.8
155.03479	2.5
159.08324	0.8
159.11757	3.8
161.04533	11.9
161.09697	1.1
169.10252	1.3
172.08893	1.2
185.09688	1.3
187.11270	48.5
188.11612	2.7
219.13846	15.8
221.06583	1.8
231.10176	5.2
249.11203	1.0
263.12842	53.1
264.13171	3.6
305.19470	0.9
336.37708	0.9
369.09381	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
59.01374	100.0
69.03448	1.8
69.42454	6.3
71.01373	33.5
72.01707	0.9
73.02939	69.3
74.03271	1.2
79.05520	2.1
81.03440	3.4
83.00922	1.2
83.01380	16.5
85.02940	4.1
89.02421	7.6
93.07063	1.2
93.58591	0.7
95.01411	2.3
95.05003	4.2
97.02931	1.2
99.04504	5.5
101.02431	43.3
106.04230	1.6
107.05048	4.1
113.02438	10.6
113.06072	3.2
119.03486	3.2
125.02446	1.6
131.03484	4.1
139.07634	2.9
143.03464	3.5
149.04543	4.2
155.03535	1.0
159.11766	2.8
161.04555	9.0
169.10257	1.1
171.08157	1.2
185.09613	1.6
187.11266	43.1
188.11501	1.3
188.29332	0.9
203.05695	1.1
219.13821	13.2
221.06638	0.9
231.10220	4.3
260.90143	0.8
263.12854	42.6
264.13260	1.7
294.92923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
59.01374	100.0
61.98819	1.9
63.18247	0.8
65.52453	0.8
69.03433	1.9
69.16850	3.9
69.17284	5.1
71.01377	30.4
73.02939	47.3
75.00838	1.1
80.02620	1.1
83.01379	12.3
85.02939	7.5
89.02449	7.7
93.03483	1.3
93.07085	1.5
95.01369	2.5
95.04996	1.5
97.02965	0.9
99.00837	1.0
99.04523	6.5
101.02434	40.6
107.04999	3.4
113.01714	1.6
113.02444	18.3
113.06044	1.5
119.03492	2.9
125.02401	2.9
131.03493	3.5
139.07663	2.3
143.03450	2.6
149.04507	3.2
155.03448	1.4
159.11769	1.4
161.04546	6.9
169.36539	1.1
187.11267	24.4
197.80344	1.1
219.13884	5.6
221.06471	1.3
231.10210	3.0
263.12830	29.7
264.13144	2.0
268.81009	1.0
280.07419	1.1
349.49976	1.1
369.09628	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	485.238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98818	0.7
68.28487	0.8
69.03450	0.9
69.98251	1.9
69.98643	1.1
71.01377	19.1
72.99317	1.1
73.02943	29.0
79.05565	1.3
80.35344	0.7
81.03480	1.1
83.01384	7.6
85.02971	4.0
89.02441	3.8
95.05042	1.8
99.00890	1.1
99.04535	2.6
101.02441	22.4
107.05026	1.7
113.02457	6.5
113.06075	1.3
119.03526	2.4
131.03506	1.3
139.07635	1.0
143.03578	1.3
149.04544	1.9
155.52037	0.9
161.04584	3.3
171.41719	0.7
187.11288	19.2
219.13852	6.2
221.06787	0.8
231.10399	1.8
243.96591	0.7
263.12863	19.2
264.13281	0.8
316.01563	0.8
479.35748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36578	0.7
59.01377	100.0
69.35977	0.8
71.01381	6.6
71.34392	1.2
73.02945	1.7
77.62778	0.7
83.01396	0.8
85.02973	2.6
89.02462	2.7
95.01365	0.8
95.92008	0.7
101.02441	4.0
113.02460	2.9
113.29958	0.8
121.72943	0.7
130.31995	0.6
151.87866	0.7
152.57895	0.6
161.04579	1.4
208.59738	0.7
350.34802	0.7
369.53320	0.8
381.23102	2.3
399.23907	4.1
485.32565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48196	0.6
59.01377	100.0
69.67233	2.9
71.01376	5.2
73.02956	2.7
83.01392	1.3
85.02940	3.3
89.02460	2.1
101.02438	4.8
110.20718	0.6
113.02476	2.8
161.04614	1.9
170.16762	0.6
181.68233	0.6
295.38904	0.6
359.69543	0.8
381.23038	2.2
399.23807	6.9
415.25726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3268
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
57.03430	0.5
59.01376	13.2
61.98827	0.7
66.08827	0.2
69.03458	0.2
69.53966	0.2
71.01374	5.8
71.53139	0.2
72.99303	0.4
73.02941	2.4
75.00854	0.2
78.81559	0.2
83.01384	0.9
83.33422	0.2
83.83994	0.1
85.02950	2.5
89.02439	4.2
95.01357	0.6
97.02898	0.2
99.00885	0.8
99.04503	0.3
101.02438	4.3
107.05028	0.3
109.02900	0.2
113.02441	4.3
119.03496	0.8
125.02422	0.6
131.03499	1.0
135.99202	0.2
139.07553	0.2
143.03467	0.7
149.04533	1.9
153.01904	0.3
161.02406	0.3
161.04529	1.2
179.05531	0.2
186.24652	0.2
187.11295	1.1
191.05623	0.6
200.12019	0.2
214.96455	0.2
216.22981	0.2
219.13889	0.5
233.06662	0.4
241.19681	0.2
263.12790	1.3
269.21259	0.4
293.08582	0.5
371.25616	0.2
377.28317	0.2
389.28845	0.2
407.29538	0.4
409.30954	0.3
417.85089	0.2
449.27414	0.4
485.32669	100.0
486.32990	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	485.3268
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
56.88319	0.1
59.01365	0.2
64.77353	0.1
69.28788	0.4
69.29215	0.6
73.02936	0.5
98.19750	0.2
105.05553	0.1
123.69972	0.1
196.67732	0.1
220.61864	0.1
241.19540	0.2
321.46765	0.1
371.26178	0.2
377.28494	0.2
393.27985	0.1
407.29483	0.5
409.31036	0.3
473.33014	0.3
485.32666	100.0
486.33023	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	485.3268
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
58.00579	0.7
59.01372	2.4
65.39293	0.3
69.98289	1.4
79.40924	0.3
83.05020	4.5
97.06583	0.7
98.15783	0.3
115.45842	0.3
146.58995	0.3
262.13620	0.3
323.23904	0.3
325.25262	0.6
355.26318	1.5
375.26965	0.5
391.30020	1.0
403.30344	0.4
405.28186	0.7
407.29523	0.5
413.30539	1.0
421.31183	2.0
425.30453	0.9
435.28906	0.4
437.30630	1.3
439.32147	13.1
440.32416	1.4
441.34067	1.5
455.31693	1.6
465.30112	1.9
467.31607	14.1
468.31561	1.5
485.32681	100.0
486.32993	11.3
511.30820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94737	0.3
57.67379	0.3
59.01345	0.8
64.74364	0.3
70.52394	0.2
71.34169	0.4
84.91357	0.3
114.58081	0.3
115.36867	0.3
157.28877	0.3
305.21194	2.3
326.46957	0.3
391.26376	0.3
392.71240	0.3
393.15015	0.3
397.31195	0.3
405.28006	0.4
409.27457	3.9
411.29013	0.6
421.31082	1.2
423.28690	1.9
425.30780	1.7
439.32117	60.8
440.32455	6.7
441.33728	3.3
485.32697	100.0
486.33087	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	485.3633
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
60.47394	0.3
60.99291	0.7
66.53661	0.3
71.05013	0.7
71.42672	0.7
85.06577	0.4
97.06586	6.3
101.43032	0.4
137.09683	0.4
191.14397	0.8
255.27191	0.3
259.00888	0.4
336.84113	0.4
373.25201	0.5
374.25888	0.5
375.26923	0.6
377.28140	0.4
389.28342	3.0
390.28870	0.4
391.30054	3.5
405.31586	8.9
406.31714	0.6
407.33130	11.8
408.33459	0.8
423.28378	0.8
437.30487	1.1
439.32202	1.9
441.33685	9.7
442.33896	1.0
451.32138	37.1
452.32394	3.8
453.33701	100.0
454.34061	9.8
471.34628	4.2
472.34756	0.4
485.36508	20.3
486.36703	2.6
497.32593	7.0
498.33276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.6
60.01716	0.2
61.98827	100.0
63.13210	0.2
71.01388	1.0
72.85701	0.2
73.02946	0.8
98.65527	0.3
99.00890	0.3
101.02477	0.8
108.51858	0.2
109.02955	0.2
124.14699	0.2
133.02953	1.9
135.04532	2.6
142.08652	0.3
147.04585	0.3
149.06261	0.2
157.24870	0.3
161.02411	4.0
161.03569	0.3
165.67847	0.3
175.04004	0.6
177.05603	0.8
179.03500	2.6
197.08337	0.3
203.03503	2.1
216.89388	0.2
219.31308	0.3
221.04559	0.3
233.04539	0.4
251.05724	0.3
277.54333	0.3
337.77298	0.3
381.47147	0.3
427.12518	0.5
428.76019	0.3
448.23383	0.3
487.14697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45051	0.5
56.99633	0.4
59.01376	33.0
59.98339	0.5
60.59076	0.5
61.98820	1.0
69.35994	3.6
71.01379	3.3
73.02942	2.0
83.01413	0.6
85.02965	0.7
89.02449	1.0
93.03441	1.3
96.81361	0.4
98.20706	0.8
100.63644	0.4
101.02431	2.9
111.00843	0.6
113.02443	1.7
117.03452	1.2
119.05019	57.8
120.05366	1.7
121.02943	0.6
121.73925	0.5
132.02162	1.8
133.02948	30.3
134.03693	1.7
135.04514	23.2
143.03503	0.6
145.02977	0.5
147.04459	0.5
149.06082	1.5
161.02429	100.0
162.02724	3.0
163.04002	20.3
164.04335	0.6
175.04025	0.9
177.05563	3.5
178.02733	0.9
179.03485	16.9
179.69882	0.5
180.03758	0.8
191.05617	0.6
203.03493	2.3
205.12323	1.4
221.04509	3.9
233.04535	0.7
263.05762	0.7
275.57669	0.5
280.05869	0.7
323.07666	33.0
324.07974	1.8
362.92709	0.5
427.12460	1.1
443.13342	4.4
444.13983	0.5
479.33133	0.6
487.12439	63.9
488.12704	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	487.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78542	0.5
57.29759	0.5
59.01376	9.9
61.98827	1.3
69.61124	0.5
70.26614	1.0
70.26979	1.1
71.01372	6.4
71.71207	0.6
73.02932	0.8
75.00887	0.5
81.04945	0.6
81.44853	0.5
83.01385	1.4
85.02962	2.1
87.00867	2.2
89.02439	5.2
93.03463	1.1
96.95990	0.5
99.00879	0.6
101.02428	3.8
113.02453	3.8
113.57298	0.5
115.00368	0.8
117.01987	1.1
117.03455	21.9
118.03793	1.0
119.03600	1.3
119.05019	31.6
120.05345	0.9
121.02949	1.1
125.02462	1.1
132.05832	1.3
133.01367	0.7
133.02946	1.4
133.06595	3.5
134.03734	0.5
135.04529	2.7
141.41718	0.5
143.03500	1.1
143.20877	0.6
145.02939	100.0
146.03246	3.2
147.04549	0.7
155.36276	0.6
159.04491	0.6
161.02441	4.5
161.04596	2.7
161.06075	9.8
162.03133	1.0
163.03990	45.4
164.04323	1.6
175.94637	0.5
177.05540	6.6
179.03511	3.0
179.05559	4.0
187.03993	0.9
203.03476	1.2
205.05052	14.9
206.05394	0.9
221.04480	0.8
235.06087	6.4
247.06181	0.6
265.07123	12.7
266.07443	0.6
274.26672	0.5
278.64630	0.5
307.08347	1.4
325.09143	4.2
341.10971	0.9
487.14517	80.3
488.14902	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	487.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35663	0.5
51.48686	0.3
59.01384	2.9
59.69742	0.4
70.34011	0.3
70.93751	0.8
71.01380	3.6
73.02938	0.9
85.02961	3.9
87.00867	0.6
89.02456	0.8
95.01393	1.1
101.02431	1.1
107.05045	0.6
113.02454	5.2
115.00364	1.7
117.03461	1.6
119.05028	2.2
131.03574	0.4
132.02203	0.5
133.01465	3.5
133.02946	9.8
133.06573	0.4
134.03767	3.5
135.04518	56.3
136.04868	1.3
143.03450	0.5
145.02959	2.8
148.05292	0.4
149.06107	0.4
161.02428	27.1
161.06049	1.0
162.02838	0.6
163.04005	3.0
175.03998	0.7
177.05569	1.4
179.03490	100.0
180.03841	3.0
191.05632	0.6
193.57603	0.3
203.03496	4.8
205.05022	0.7
221.04524	1.4
233.04588	1.0
245.04550	0.8
251.05623	0.8
265.07144	0.8
300.50632	0.4
427.12408	1.4
487.07990	0.2
487.14490	6.7
488.15005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95388	0.6
59.01376	12.2
67.11938	0.6
71.01379	4.9
73.02943	6.6
85.02962	2.9
87.00877	3.5
87.04488	0.8
89.02445	2.8
92.12180	0.7
97.02943	1.1
101.02426	5.7
103.04018	1.8
109.02944	5.9
111.00868	1.4
113.02464	0.9
115.03963	1.7
117.03442	3.2
119.03532	0.9
119.05037	4.6
123.04528	0.7
125.02431	0.9
131.03448	1.8
132.02159	1.3
133.01428	0.9
133.02948	32.5
134.03784	3.7
135.04512	53.8
136.04813	1.8
137.02441	1.3
143.03481	2.2
145.02942	12.2
145.05049	0.9
147.04520	2.4
148.05276	1.7
149.06076	9.2
158.02063	0.7
158.03647	0.7
161.02428	100.0
161.06097	2.1
162.02783	3.0
163.03995	6.6
163.06128	1.3
174.03181	1.1
175.03984	8.5
177.05548	13.3
179.03484	56.1
180.03835	2.0
189.05536	2.2
193.04919	1.3
203.03482	50.3
204.03828	1.7
205.05054	1.7
205.07076	1.5
207.06595	1.3
215.03500	1.0
221.04550	11.6
222.04839	0.9
233.04552	7.4
235.05965	0.7
245.04494	1.0
251.05556	5.9
265.07172	0.9
283.78146	0.7
397.11240	3.6
427.12381	14.6
428.12677	0.9
469.13290	1.9
487.14520	33.2
488.14835	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	487.1608
Annotation	Toonaciliatin A
Peak:m/z	Relative Intensity
57.03440	0.2
59.01378	4.2
61.98833	0.6
65.03954	0.4
69.03444	0.1
71.01377	1.7
71.52378	0.1
72.99290	0.1
73.02944	1.0
75.00874	0.2
79.05531	0.1
83.01391	0.3
84.04050	0.1
85.02947	0.5
86.92468	0.1
87.00874	0.4
89.02451	0.7
89.03954	0.2
93.03473	0.3
95.01430	0.1
95.05029	0.1
99.00855	0.1
101.02436	1.0
109.02991	0.2
113.02444	0.6
115.07643	0.6
117.03458	33.9
118.03762	1.0
119.05018	13.1
120.05350	0.3
121.02946	0.4
121.06552	0.2
123.04495	0.1
125.02456	0.1
129.09229	0.1
131.03459	0.1
132.02133	0.1
133.02940	0.7
134.03743	0.2
135.04523	1.9
137.06085	1.0
139.03960	0.4
143.04953	0.2
145.02943	100.0
146.03281	3.2
147.04471	0.2
149.06062	0.2
161.02426	2.1
162.03218	0.1
163.03998	24.0
164.04303	0.8
165.05511	0.2
175.03992	0.1
177.05573	0.3
179.01883	0.1
179.03471	2.3
183.06573	0.4
183.10152	0.1
185.11839	0.5
187.03984	0.3
191.05658	0.2
203.03491	0.8
205.04953	0.2
221.04555	0.2
225.11305	0.1
231.06659	0.1
233.04451	0.2
251.05583	0.2
281.10229	0.1
294.28366	0.1
307.19171	0.2
427.12900	0.2
443.19254	0.3
445.14932	0.3
487.16037	34.7
488.16406	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	487.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99963	0.1
55.01877	0.1
56.23888	0.1
58.00579	0.1
59.01375	4.1
59.42009	0.1
61.98839	0.6
63.32702	0.1
65.03952	0.3
65.86116	0.1
69.03458	0.1
70.04307	0.4
71.01381	1.7
71.63143	0.1
71.99509	0.1
72.99307	0.1
73.02946	1.0
75.00861	0.1
83.01385	0.2
85.02959	0.5
87.00878	0.3
89.02445	0.6
89.03976	0.1
93.03449	0.3
95.01396	0.1
99.00895	0.2
101.02425	0.8
113.02454	0.5
115.07646	0.4
115.08423	0.1
116.02646	0.1
117.03459	34.6
118.03786	0.9
119.05019	12.8
120.05338	0.3
121.02963	0.3
121.06596	0.1
123.04512	0.1
129.09186	0.1
131.03577	0.1
133.02928	0.7
135.04533	2.0
137.06073	0.9
139.03989	0.4
143.04967	0.3
145.02943	100.0
146.03287	3.1
147.04482	0.2
149.06055	0.1
161.02429	2.4
161.04562	0.2
161.06032	0.2
163.03996	24.8
164.04298	0.7
165.05602	0.1
175.03955	0.2
177.05571	0.4
179.03487	2.2
180.03824	0.1
183.06581	0.2
183.10165	0.1
185.11877	0.2
187.03995	0.5
191.05701	0.2
203.03485	0.9
205.05080	0.2
209.04492	0.1
221.04420	0.1
225.11107	0.1
233.04530	0.2
257.09839	0.1
307.18930	0.1
323.11578	0.1
427.13040	0.3
443.19351	0.3
445.14911	0.2
487.16040	35.5
488.16391	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	487.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
69.43580	2.6
71.01366	3.6
74.02464	1.7
82.02972	2.9
83.03303	0.6
84.04545	3.5
86.02484	0.5
87.53065	0.5
89.02438	2.2
95.37901	0.5
97.04049	0.8
98.02505	0.9
98.20633	1.0
99.00888	1.2
101.02431	6.8
101.07200	2.1
102.05612	6.6
107.02472	0.7
109.04066	3.8
113.02445	0.8
119.03525	0.8
125.03558	3.1
126.01976	1.9
127.05125	17.7
128.03540	12.0
128.29576	0.5
128.30832	0.6
138.46942	0.5
144.03030	2.3
145.01422	12.8
145.06180	100.0
146.04584	14.9
146.06520	1.3
175.29785	0.6
179.05594	0.7
191.05684	2.8
204.32695	0.5
294.03217	0.6
341.10834	5.3
394.53723	0.6
417.88409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.6
59.01375	100.0
61.98830	4.5
65.03974	0.7
69.03458	1.1
69.55106	4.4
71.01375	15.8
73.02944	6.4
75.00871	2.1
83.01402	1.1
85.02944	5.5
87.00887	1.9
87.10979	0.6
89.02442	7.1
93.03458	0.8
95.01395	1.6
96.96033	2.0
97.02953	1.1
98.20712	0.7
98.95582	0.8
99.00888	2.5
99.04527	0.8
101.02429	13.4
101.06071	0.8
102.24324	0.7
109.03006	0.7
109.06595	1.0
113.02435	8.4
115.03999	0.7
115.42353	0.7
119.03526	2.8
119.05020	6.3
125.02464	0.9
129.05623	1.0
133.02975	2.9
134.03758	2.2
135.04509	7.4
139.04013	1.2
143.03517	3.6
145.02927	4.6
147.04506	4.0
149.04547	1.1
149.06065	1.5
159.03015	1.3
160.01662	1.7
161.02419	8.5
161.04546	8.0
161.05974	1.0
162.01086	0.7
163.04022	8.3
167.03473	1.3
174.06862	1.1
175.04015	2.8
176.04718	0.8
177.05620	1.3
179.03445	6.3
179.05655	1.7
189.09200	7.5
191.05600	2.3
191.07147	1.1
193.05054	1.2
193.12303	1.3
196.08836	0.8
203.03482	4.8
218.09689	0.9
221.04533	1.2
229.12282	3.0
235.06169	2.8
237.06259	1.3
245.11931	1.1
247.13380	13.9
247.15793	1.0
248.63838	0.6
265.14456	1.4
299.04425	0.6
341.10931	3.3
355.10294	1.1
367.17780	1.9
385.19144	0.8
397.11728	1.5
427.19666	4.3
487.14432	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	487.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
56.48118	0.1
57.03434	0.4
58.00590	0.4
58.44313	0.1
59.01376	8.5
60.99276	0.2
61.98815	0.4
69.03460	0.6
70.27657	0.3
71.01377	7.9
71.05019	0.4
72.01719	0.1
72.99285	0.2
73.02946	2.0
75.00867	0.3
81.80037	0.1
83.01383	0.8
83.05024	0.3
85.02946	3.0
87.00861	0.3
87.04477	0.1
89.02437	3.9
89.03934	0.2
93.03460	0.1
95.01389	0.5
96.95166	0.1
97.02950	0.3
98.20089	0.1
98.27151	0.1
99.00857	0.7
101.02435	5.5
102.02793	0.1
109.06566	0.5
111.04508	0.5
113.02447	3.4
117.03456	20.9
118.03773	0.6
119.03572	1.6
119.05016	7.6
120.05391	0.2
121.02952	0.3
123.04534	0.1
125.02456	0.3
131.03549	0.2
133.02908	0.5
135.04523	1.5
137.06062	0.6
139.07625	0.3
139.11269	1.3
141.12833	1.5
143.03476	0.7
143.04848	0.3
145.02943	62.3
146.03282	1.7
149.05997	0.1
157.08701	3.1
159.02992	0.7
161.02472	1.5
161.04544	4.9
163.03999	14.9
163.54982	0.1
164.04301	0.5
171.13922	0.1
172.05562	0.1
175.03958	0.1
177.05533	0.2
179.03485	1.3
179.05598	0.6
184.85072	0.1
185.11810	100.0
186.12160	3.8
187.04010	0.2
191.05621	0.1
199.13362	0.2
203.03458	0.6
205.05157	0.1
216.87486	0.1
221.04584	0.1
227.12956	0.2
233.04373	0.1
275.78873	0.1
281.10663	0.1
301.12814	0.3
307.08008	0.1
307.69214	0.1
319.13947	14.6
320.14297	0.8
439.04678	0.1
445.15216	0.2
487.16043	19.4
488.16418	2.0
496.59863	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	487.3052
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
52.43329	0.7
55.28302	0.6
58.22633	0.8
59.01377	23.8
61.98846	1.2
66.19400	0.7
69.67357	4.1
71.01378	2.0
73.02970	0.9
87.32492	0.7
89.02448	1.1
98.20705	0.7
113.02468	1.1
133.02954	2.0
135.04524	5.5
161.02432	4.7
165.09189	1.3
165.75159	0.7
179.03484	7.7
190.98946	0.7
191.05600	2.3
191.51152	0.7
203.03531	1.0
223.13400	4.1
250.79585	0.9
451.33026	1.4
487.30527	100.0
488.30896	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	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00554	1.1
59.01369	0.6
59.42765	0.4
60.02287	0.3
70.26508	1.4
81.95911	0.4
97.06554	1.0
119.60374	0.4
153.09108	0.6
179.03453	0.4
187.07544	0.5
387.30469	0.6
389.28577	2.8
405.27261	0.4
405.31879	0.5
406.28809	3.4
407.29337	1.5
421.31183	2.1
423.32712	9.4
424.32870	1.2
439.28564	0.7
465.07510	0.5
469.33179	53.6
470.33435	6.6
487.34256	100.0
488.34512	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	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.6
58.83135	0.3
59.38121	0.3
62.84525	0.3
70.82831	0.7
71.04997	1.2
112.20184	0.4
211.29405	0.3
314.05490	0.3
405.31879	0.3
420.36575	0.3
423.32718	0.9
427.32199	1.7
437.30664	0.7
443.35190	0.5
467.31866	2.0
468.31760	0.4
469.33163	14.1
470.33444	1.4
487.34235	100.0
488.34613	10.9
488.41779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79194	0.2
71.43642	0.4
91.61105	0.2
130.19241	0.2
179.03418	0.2
181.41310	0.2
323.78589	0.2
335.95682	0.2
423.32458	0.3
469.33087	2.3
470.33331	0.4
487.34244	100.0
488.34604	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	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86898	0.2
70.81911	0.6
72.00729	0.2
97.04294	0.2
167.65952	0.2
176.15039	0.2
232.65973	0.2
379.30334	0.3
379.50305	0.3
409.30896	0.5
487.34235	100.0
488.34561	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	487.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
59.98508	2.6
60.99310	1.4
70.99436	1.1
71.05023	2.3
95.05040	1.0
97.06609	1.0
133.03021	0.7
135.04529	1.5
137.09709	0.7
161.02382	1.3
167.11765	0.7
179.03491	1.4
379.29916	2.1
391.29852	0.8
405.31372	1.0
407.33215	10.4
408.11194	0.6
408.33569	1.0
409.34866	3.9
413.30603	1.2
423.32648	3.9
425.34625	3.3
427.36020	1.1
443.35229	2.5
449.30707	6.0
450.30847	0.8
451.31808	1.5
453.33545	4.4
457.32803	1.3
467.31631	16.1
468.31952	1.6
469.33167	100.0
470.33496	11.8
487.34259	47.9
487.41702	1.3
488.34476	4.2
513.32190	9.6
514.32538	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99302	1.0
69.30212	5.9
71.04999	0.8
97.06581	3.0
98.20676	1.7
114.48018	0.7
126.27708	0.7
129.64410	0.8
161.02348	0.9
179.03452	1.0
191.14351	1.0
389.28491	1.9
391.30148	3.4
405.31711	3.3
407.29346	0.7
407.33282	7.1
409.31238	1.1
423.32889	1.5
425.34058	0.9
437.30518	3.0
439.32059	1.5
441.33731	18.9
442.33978	2.1
449.30637	1.6
451.32175	14.9
452.32224	1.7
453.33694	100.0
454.34067	10.2
467.31631	1.9
469.33124	12.7
470.33374	1.1
487.34238	17.5
488.34631	1.6
497.32928	2.1
513.32227	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98764	0.4
59.31316	0.4
60.29802	0.5
60.99359	0.7
61.98864	0.5
71.05080	0.8
76.08315	0.4
96.29725	0.5
97.06055	0.8
97.06715	3.1
98.19808	0.7
122.96539	0.6
128.85197	0.6
137.09909	0.6
161.02567	0.8
179.03595	0.5
191.14571	1.1
217.15973	0.5
237.69962	0.5
239.60889	0.5
343.15781	0.6
373.25186	0.5
375.26938	0.9
389.28436	1.6
391.30081	2.6
393.27991	1.2
403.30301	0.8
405.31570	4.2
407.28610	0.8
407.33279	11.6
408.33600	0.9
409.31110	1.6
423.32776	2.1
437.30750	0.7
441.33685	15.2
442.34015	1.4
449.30612	2.0
451.32117	18.2
452.32480	2.2
453.33710	100.0
454.34048	11.2
454.40378	0.7
459.34421	0.6
467.31625	3.0
469.33252	4.2
471.34686	1.2
485.32510	1.8
487.34232	21.3
488.34573	2.4
497.32861	1.5
513.32294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48407	0.1
59.01379	3.9
61.98816	0.6
69.07094	0.1
70.80046	0.3
71.01373	0.7
71.05015	0.2
73.02936	0.3
78.95912	0.3
81.56402	0.1
83.01392	0.2
83.05009	0.2
85.02941	0.3
87.00887	0.3
89.02437	0.3
96.96955	0.3
101.02415	0.4
105.97794	0.2
113.02425	0.5
119.03510	0.2
125.02441	0.1
125.51086	0.1
133.02946	0.5
135.04517	1.3
149.06006	0.2
161.02443	2.0
177.05511	0.2
179.03462	1.9
185.11809	0.2
203.03438	0.6
227.75064	0.1
315.18106	0.2
343.28650	0.2
372.12268	0.3
391.30093	0.2
393.32101	0.2
409.31180	0.3
421.30789	0.2
427.12173	0.2
427.31912	0.2
467.31549	0.5
469.33200	2.6
487.34253	100.0
488.34610	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	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23610	0.2
55.68688	0.2
59.01365	0.6
60.41050	0.2
61.98812	0.3
63.57840	0.2
68.96067	0.2
69.24680	1.7
72.20630	0.2
73.58983	0.2
135.04514	0.5
139.82643	0.2
161.02463	0.7
179.03497	0.9
189.28105	0.2
195.85666	0.2
203.03476	0.2
217.96732	0.2
315.23422	0.2
324.61111	0.2
358.07291	0.2
457.33157	0.5
487.34262	100.0
488.34619	11.0
488.41809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3426
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
57.03438	1.1
57.35956	0.2
59.01365	1.0
60.99294	0.5
61.03571	0.2
67.41470	0.3
67.96983	0.2
69.03479	0.3
71.52426	0.5
72.30174	0.2
83.05035	0.4
84.34616	0.2
89.72449	0.3
104.64108	0.2
111.75709	0.3
117.82988	0.3
133.02963	0.8
135.04507	0.8
159.39603	0.3
161.02419	1.3
179.03487	0.9
193.95657	0.2
198.63106	0.3
203.03473	0.6
293.21692	0.3
307.24063	0.5
349.25519	0.3
351.26981	0.5
369.27701	0.4
372.12277	0.3
374.26184	0.4
377.28580	0.7
389.28290	0.5
391.29913	1.0
393.31610	1.6
394.31497	0.3
403.29791	0.4
405.31400	0.5
407.29022	0.4
409.31427	0.3
413.49091	0.3
421.31046	0.6
423.32690	1.8
425.30344	0.6
435.28967	2.4
437.30560	11.3
438.31000	1.3
439.28384	0.3
451.31845	0.5
455.31580	0.4
457.33545	0.4
467.31598	9.0
468.31833	1.1
469.33923	6.8
470.34210	0.3
474.97678	0.2
487.34253	100.0
488.34616	9.7
488.41742	0.4
513.32013	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.9
61.98827	100.0
69.23719	2.1
71.01392	0.9
73.02936	0.4
76.59479	0.2
85.02983	0.6
85.25105	0.2
89.02419	0.3
95.25103	0.2
98.19789	0.3
101.02444	0.4
109.02944	0.3
113.02478	0.4
127.04066	0.2
133.02910	0.4
135.04544	1.0
136.04831	0.5
161.02423	2.2
162.02785	1.0
173.04582	0.3
176.04350	0.3
179.03514	1.0
180.03874	0.5
182.24408	0.2
191.05573	2.2
192.05972	0.6
203.03569	0.7
204.03769	0.4
209.98433	0.3
249.46158	0.2
252.32271	0.2
326.10052	0.2
421.88092	0.3
445.28024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1038
Annotation	Maritimetin 6-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03440	0.4
58.00595	0.3
59.01376	100.0
60.01719	0.6
61.98827	8.2
63.02391	0.3
65.00331	0.4
67.63751	0.2
68.03884	0.2
69.03461	0.3
71.01375	3.3
71.53297	0.3
72.99323	0.4
73.02942	3.4
75.00865	0.4
78.08833	0.2
78.34936	0.2
81.71827	0.2
83.01372	1.3
84.57693	0.2
85.02953	0.8
87.00913	0.4
89.02431	1.4
93.03463	0.9
95.01414	0.4
99.00836	0.2
99.04517	1.1
101.02435	4.1
107.01365	1.2
109.02930	0.5
110.31552	0.2
113.02442	2.7
117.03460	0.3
119.03493	0.7
119.05020	0.6
121.03052	0.2
125.02516	0.3
130.04221	0.2
131.03502	0.5
132.02161	0.8
133.02942	0.4
135.00868	1.1
135.04520	0.8
137.02457	0.2
141.01894	0.3
143.03542	1.1
143.05002	0.5
145.02942	0.6
147.04518	0.4
149.04582	0.8
151.00398	1.1
157.06543	0.5
159.04518	0.7
161.01338	0.2
161.02414	1.2
161.04536	1.8
163.00365	1.4
163.04010	0.6
164.01161	0.4
167.05008	0.3
169.06686	0.3
171.04462	0.3
173.06056	0.2
179.03549	0.6
183.04515	0.3
183.10341	0.3
185.02472	0.3
185.06082	0.8
185.11819	0.3
187.03967	1.4
189.05507	0.6
190.99826	0.3
191.05536	0.3
197.06065	0.3
199.03915	0.5
200.04816	0.4
201.05524	0.4
203.05563	0.4
207.13904	0.5
211.03970	1.7
212.04695	0.3
213.05580	0.7
215.03308	0.2
221.06606	0.4
223.03995	0.3
225.14915	0.5
227.03481	17.6
228.03908	0.9
229.05046	5.6
230.05338	0.3
239.03424	1.3
241.05038	0.9
249.11166	0.3
255.02968	39.4
256.03543	3.5
257.04538	3.8
267.02933	0.6
267.12387	0.4
276.21133	0.2
283.02362	0.5
283.05057	0.3
284.03244	49.6
285.04004	60.4
286.04388	3.4
327.05029	0.3
347.16992	0.4
355.11081	0.2
367.24158	0.2
369.19232	0.4
387.19965	0.3
429.21094	1.2
489.10333	28.7
489.21750	0.8
490.10709	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	489.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30495	0.7
59.01071	1.4
59.01375	27.5
61.98828	1.7
69.44822	5.7
71.01372	8.8
72.99321	1.2
73.02934	2.4
73.16176	0.9
85.02955	2.8
87.00869	2.8
89.02431	6.8
91.59278	0.7
99.00896	0.9
101.02439	6.8
113.02454	2.7
117.03455	3.4
119.03486	2.5
131.03482	0.9
132.02158	14.8
133.02948	1.4
133.04990	1.1
134.03732	46.4
135.04507	1.8
136.01599	0.9
137.02431	1.3
148.05360	1.1
149.06091	5.8
151.06107	3.5
160.01648	69.4
161.02182	3.7
161.04579	0.9
173.05914	1.2
175.03984	90.7
176.04616	7.0
178.02684	2.2
179.03572	0.9
191.07100	8.7
193.05035	56.9
194.05431	1.5
207.06613	3.0
220.03676	1.0
229.64668	0.9
235.06081	22.5
236.06471	0.8
265.07169	3.8
295.08191	3.1
313.11539	0.9
337.09351	1.8
345.53629	0.8
355.10150	1.2
489.16095	100.0
490.16391	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	489.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01375	20.0
61.98825	2.2
65.03963	2.8
69.16918	6.7
70.38548	0.6
71.01379	8.1
72.99302	1.0
73.02940	2.8
75.00887	0.8
83.01384	1.3
85.02947	2.8
85.87003	0.6
89.02443	6.0
93.03481	1.4
95.01356	0.8
98.19860	1.5
99.00874	0.7
100.35085	0.6
101.02439	12.8
109.02901	0.7
111.00930	0.8
113.02451	4.1
117.03458	22.0
119.03524	2.3
119.05020	32.2
120.05356	1.0
121.02932	1.1
121.06616	1.1
131.03491	1.3
133.02893	1.7
133.06575	2.8
135.04543	1.8
139.04018	2.5
142.54460	0.7
145.02940	100.0
146.03308	3.6
160.01616	1.5
161.02458	5.1
161.04634	1.5
161.06058	8.9
162.02788	0.9
163.03999	52.7
163.06166	2.1
164.04349	2.6
165.05530	1.6
175.04004	1.7
177.01927	0.8
177.05540	4.7
179.03506	1.0
179.05592	1.3
181.07146	3.4
183.06621	1.3
187.03944	1.5
191.05592	1.1
193.05057	0.9
205.05031	10.5
205.06863	1.0
235.06105	4.7
250.13263	0.6
265.07178	7.4
304.84982	0.7
307.08035	0.8
325.08817	1.2
325.11978	0.7
343.12210	1.1
345.11761	2.1
376.47202	0.7
389.10904	3.5
489.16083	94.7
490.16333	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	489.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01378	100.0
60.01710	0.9
61.98829	0.9
62.44794	0.3
66.16379	0.3
71.01380	3.2
71.15619	0.3
73.02956	1.1
75.00869	0.4
83.01405	0.5
85.02953	1.1
87.00876	0.3
89.02475	0.9
99.00846	0.4
99.04516	24.0
100.04866	0.7
101.02442	1.9
113.02429	1.5
119.03527	0.4
127.07676	0.6
134.31297	0.3
135.04521	0.5
137.06093	0.4
143.03502	7.2
160.28069	0.3
161.02464	1.2
161.04561	0.8
179.07324	0.3
183.10291	0.8
191.05634	0.8
197.11876	1.1
208.00206	0.3
225.11365	1.3
225.14983	0.9
229.48480	0.3
269.60522	0.3
284.03302	0.6
285.04062	0.7
297.03949	0.4
326.10239	0.3
369.19073	1.8
387.20221	2.4
388.20758	0.3
429.21329	2.1
489.10693	0.5
489.19498	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	489.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
55.69567	0.8
57.03428	2.4
58.00576	3.2
59.01376	57.0
61.98817	3.5
69.03454	6.9
70.48547	0.9
70.48895	2.1
71.01376	21.0
71.05006	1.5
71.27650	0.8
72.99278	2.7
73.02946	9.1
75.00861	0.8
81.07099	0.8
83.01401	1.8
84.29105	0.7
85.02940	4.5
85.49715	0.7
86.03702	1.0
89.02441	5.9
91.05425	0.7
93.07105	5.0
95.01331	0.9
96.84705	0.9
97.06573	1.6
99.08131	2.7
101.02438	6.5
102.33729	0.8
107.05045	1.2
109.02929	1.1
109.06570	3.9
111.08150	5.3
113.02436	4.2
113.06060	1.1
119.03451	1.3
123.08131	4.3
125.02394	1.0
125.06028	2.7
127.06718	1.0
127.07642	20.6
133.02962	0.8
135.04451	2.3
137.06062	16.4
139.11287	7.6
143.07042	1.0
143.74684	0.7
155.07132	16.8
161.02357	2.5
161.04507	1.4
164.20189	0.9
165.07964	0.8
165.09137	4.3
178.30089	0.8
179.03476	1.8
179.10666	1.0
183.08682	1.5
183.10248	28.0
184.10597	1.2
187.13309	2.8
193.04922	0.9
197.04466	1.9
197.11838	18.3
197.33353	0.7
207.10181	2.7
207.13817	3.0
214.31796	0.8
225.11308	36.1
225.14792	10.5
226.11601	1.7
226.15202	0.8
235.06201	1.2
255.12335	1.3
285.13425	1.3
309.17023	1.3
309.20541	0.9
323.13379	0.8
327.21454	1.3
369.19034	5.2
387.20023	4.1
429.21024	2.2
489.23239	100.0
490.23587	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	489.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24533	0.4
51.52504	0.4
53.20959	0.4
59.01376	100.0
60.01710	1.1
69.44827	2.4
71.01390	1.0
73.02973	0.5
81.76334	0.5
101.02472	0.7
113.02457	0.8
117.05598	0.6
119.22386	0.4
163.48854	0.4
165.05598	1.6
207.13837	0.8
290.64679	0.5
311.79709	0.4
318.46823	0.4
327.11063	0.5
429.21506	0.6
472.92273	0.4
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
51.73537	0.4
57.03460	0.7
59.01377	100.0
60.01704	0.9
61.98830	2.3
66.28667	0.5
70.94486	1.1
71.01376	7.0
73.02950	2.7
78.09757	0.4
85.02930	2.8
89.02460	1.6
99.00883	1.0
101.02445	4.4
113.02472	2.6
128.91083	0.5
147.03056	0.6
161.03439	0.5
161.04549	2.3
189.12921	0.7
225.15018	1.0
297.07712	0.7
330.88837	0.6
331.80966	0.5
369.19083	5.7
370.19577	0.5
387.20239	10.8
387.24963	0.8
429.21204	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	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
56.60471	0.2
57.03447	0.7
58.00603	0.3
59.01376	100.0
60.01717	0.8
61.98849	0.5
69.03469	0.3
71.01373	6.5
71.34207	0.2
72.99306	0.8
73.02948	2.9
75.00870	0.3
81.03435	0.5
82.56688	0.2
83.01390	1.1
83.05010	0.4
85.02949	5.3
87.00874	6.0
87.01382	0.4
87.04514	0.4
89.02442	1.8
93.03454	0.3
95.01411	0.7
95.04990	0.3
97.02975	0.5
99.00869	2.2
99.04530	0.3
101.02437	3.7
107.05025	0.3
108.02195	0.6
109.02975	0.4
111.00896	0.3
111.04510	0.5
113.02447	5.5
119.03519	0.3
121.02949	0.9
123.04519	2.2
124.01626	0.3
125.02470	1.0
125.06081	1.4
129.01961	0.4
131.03520	0.6
133.02992	0.7
135.04530	0.9
137.02440	0.3
139.04056	0.5
141.05559	1.3
143.03496	1.2
151.00420	0.3
152.01231	0.2
153.05603	0.5
159.03040	0.6
161.02466	1.1
161.04559	2.2
168.58017	0.2
169.05099	0.8
178.99907	0.3
179.03517	0.4
181.22395	0.2
203.03712	0.3
214.80656	0.2
243.20880	0.2
275.07739	0.2
299.01886	0.2
309.20847	0.6
315.18066	1.4
327.21991	0.4
355.17612	0.4
366.03439	0.2
386.11020	0.2
411.20590	0.3
429.21143	9.3
430.21863	0.8
447.22217	8.1
448.22882	0.8
474.65445	0.3
489.14474	2.5
489.26804	1.5
489.46729	0.3
489.64432	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60666	0.3
54.44424	0.3
57.03439	0.7
58.83159	0.3
59.01374	100.0
60.01702	0.9
61.98823	0.4
69.24880	3.1
71.01376	2.0
73.02945	0.7
74.31057	0.3
74.41751	0.3
83.01384	1.0
85.02924	1.7
92.25153	0.3
95.01430	0.3
99.00895	0.4
101.02450	1.2
113.02460	1.2
130.08769	0.4
151.81128	0.4
224.75938	0.3
247.86365	0.3
266.87283	0.3
345.29993	1.7
387.24219	0.4
489.27203	2.8
489.34619	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3584
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
59.01372	1.3
61.98819	1.6
70.06888	2.0
72.24529	0.5
74.80002	0.6
77.86758	0.5
85.40360	0.5
98.20586	0.8
102.99408	0.5
112.57427	0.6
127.78567	0.5
169.20413	0.5
179.03830	0.5
185.18480	0.6
221.15402	0.8
223.17032	2.0
232.64165	0.6
233.30319	0.5
249.18492	1.1
267.19708	0.6
287.20126	1.0
289.21918	0.9
411.32703	0.7
425.34351	1.6
427.35760	63.6
428.36118	6.1
471.34525	1.3
489.35840	100.0
490.36172	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	490.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.4
60.01725	0.8
61.98826	100.0
71.01382	3.1
71.52484	0.7
72.99318	0.6
73.02943	1.5
75.00858	0.9
81.07615	0.5
83.01377	0.8
84.09195	0.5
85.02959	0.7
89.02470	1.0
99.00916	0.5
101.02449	1.5
113.02445	0.8
119.05024	9.8
133.03026	0.8
135.04532	1.6
137.02492	1.3
159.06621	0.5
161.02386	1.9
161.04558	0.8
163.04001	10.2
164.04781	53.9
165.05092	1.9
179.07120	71.3
180.07495	3.2
187.13364	1.8
197.19147	0.5
201.77068	0.5
225.14948	0.9
226.97182	0.6
323.11200	0.6
327.58609	0.5
383.13431	9.2
384.13962	1.2
489.26721	0.8
490.27179	1.6
491.29062	0.9
519.74249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1207
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
52.10608	0.5
53.25368	0.4
59.01373	21.2
60.01722	1.5
61.01795	0.9
61.98820	10.1
69.03450	0.6
69.40004	3.5
71.01379	3.9
73.02940	2.2
74.64661	0.5
81.03454	1.0
83.01350	0.6
83.85797	0.5
85.02948	1.9
89.02460	1.3
95.01376	1.1
101.02425	2.7
101.96796	0.4
108.02162	49.8
109.02956	22.9
110.03259	0.6
113.02448	1.7
117.03458	1.9
119.04999	1.5
121.02969	0.6
123.00910	0.7
123.04519	1.2
125.02364	0.8
127.47485	0.5
132.02153	5.4
133.02950	7.8
134.03731	7.0
134.39024	0.4
135.00888	1.0
135.04562	3.0
137.02477	0.6
145.02925	4.0
147.04462	0.7
149.06105	0.7
150.03169	1.8
151.03958	1.4
152.01135	65.1
153.01921	18.4
160.00290	1.0
160.01645	25.1
161.02423	25.3
161.04535	1.1
162.02811	0.6
163.03992	2.3
165.01884	0.6
175.03981	24.5
177.05560	0.9
179.03479	3.2
187.00331	0.5
193.05026	4.1
203.03441	0.5
221.04512	1.1
227.03401	0.8
243.06537	1.2
270.05206	0.5
278.88559	0.5
286.04300	0.5
295.08139	0.6
307.08148	0.7
315.07205	15.6
316.07501	0.8
323.07721	3.7
337.09296	0.8
406.56094	0.5
431.22330	0.7
447.12860	1.9
459.12833	1.9
491.11755	100.0
492.12155	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	491.1192
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
50.74593	0.6
59.01381	8.9
61.98839	0.9
69.37273	4.4
69.37679	1.0
71.01380	4.5
73.02954	1.2
75.00864	1.5
78.87621	0.6
85.02969	0.7
87.00884	1.2
89.02446	3.9
91.25450	0.7
91.71465	0.6
93.03465	1.7
95.01340	0.8
99.00886	1.7
101.02470	1.7
109.02946	21.2
109.06583	1.8
113.02472	1.1
121.02962	2.6
122.03723	1.3
123.04520	8.3
132.02173	1.9
133.02951	34.5
134.03761	0.8
135.04514	17.9
135.08160	7.7
137.02428	1.7
139.04001	3.3
149.02458	4.3
150.03230	1.4
151.03993	6.4
153.09221	3.4
161.02429	93.6
162.02759	3.8
165.01906	6.9
166.02756	3.4
167.03479	16.5
179.03502	10.3
191.03397	1.2
197.08188	4.6
221.04465	1.2
282.89676	0.7
311.07706	18.1
312.08121	1.5
322.89276	0.7
323.07809	0.9
329.08759	50.9
330.09171	2.6
383.55112	0.8
447.12918	4.7
452.77737	0.8
453.17621	0.8
473.11002	1.1
491.11832	100.0
491.17770	10.6
492.12189	10.9
492.18524	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02099	0.9
54.43731	0.7
57.03433	0.8
57.63581	0.6
58.00571	1.1
59.01376	23.0
65.03956	1.0
70.25879	1.3
71.01383	11.5
72.98894	1.6
72.99306	32.5
73.02959	0.8
75.00870	18.6
82.84322	0.7
83.01383	0.8
85.02938	2.9
87.00864	2.2
89.02443	13.6
93.03439	2.0
95.01408	0.8
98.20579	0.8
99.00866	1.4
101.02437	6.8
106.04202	1.3
107.05022	1.5
112.22699	0.7
113.02463	4.7
119.03503	4.8
119.05008	6.9
121.02930	1.0
121.06577	7.6
123.04505	4.2
131.04997	2.8
134.03716	0.8
135.03000	3.3
135.04501	2.0
137.06082	1.2
139.04016	1.5
147.04507	19.3
148.01648	4.7
148.05339	1.2
149.06065	34.5
150.06412	1.2
161.04535	0.8
165.05620	1.6
173.01982	0.7
175.04024	1.8
175.05626	0.8
177.05544	1.3
193.05023	2.7
246.50082	0.9
345.11664	1.1
355.10318	19.4
356.10736	1.4
371.09668	3.8
373.11343	100.0
374.11716	5.8
389.10895	2.4
413.17923	1.6
431.11865	9.5
432.12253	1.1
491.14255	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	491.1557
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
56.62085	0.5
58.04008	0.6
59.01077	0.6
59.01374	13.1
61.98819	2.1
62.08109	0.6
69.22336	3.5
69.22734	1.6
69.96621	0.5
70.43956	0.6
71.01376	5.8
72.99305	0.7
73.02952	0.6
83.01373	0.8
85.02933	1.1
89.02435	4.1
98.19945	1.5
101.02448	2.8
107.05032	1.2
108.02170	100.0
109.02483	2.1
113.02437	2.6
117.03466	1.7
119.03493	1.4
123.04520	1.1
132.01421	0.5
132.02167	15.7
133.02931	2.4
134.03731	30.0
135.04535	12.2
136.01569	0.7
137.02440	0.9
147.04539	3.5
148.05290	2.1
149.06030	4.5
153.05585	1.9
158.03761	0.8
160.01646	74.5
161.02429	6.3
161.04575	0.8
162.02888	0.6
163.07562	0.8
173.06075	2.2
175.03987	96.6
176.04726	11.7
177.01921	1.8
177.05391	0.6
178.02641	3.0
179.03409	1.0
191.05489	1.2
191.07126	14.2
192.04233	1.6
193.05042	46.8
194.05414	2.0
207.06593	6.6
217.05037	0.9
220.03796	1.6
235.06091	51.0
236.06483	1.9
265.07120	11.8
266.07614	0.7
295.08182	16.4
315.10751	1.3
337.09290	1.5
347.16248	0.6
355.10214	0.8
421.63846	0.7
491.15588	31.5
492.15839	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	491.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06672	1.4
57.31348	1.3
59.01378	65.3
60.01706	2.8
61.98825	11.5
65.19222	1.3
69.13931	14.3
69.14323	3.2
71.01376	17.5
72.99304	3.0
73.02931	6.5
75.27291	1.4
83.01385	1.9
85.02911	4.0
85.54565	1.5
87.00854	3.1
89.02439	8.1
94.10595	1.7
95.01353	1.6
101.02426	10.9
108.02169	100.0
113.02448	11.8
116.92835	1.8
117.03466	7.5
119.03465	4.6
119.05051	3.7
123.04491	3.0
132.02142	12.1
133.02989	7.2
134.03735	32.4
135.04529	18.1
142.53223	1.5
145.02948	21.4
146.03235	1.7
147.04469	3.7
148.05312	2.6
149.02409	1.7
149.06068	4.9
150.03223	4.5
151.04007	3.1
153.05618	1.9
160.01662	64.8
161.02423	11.9
161.04602	4.2
163.04031	8.0
173.06015	3.1
175.03998	94.4
176.04811	12.1
177.01782	1.9
178.02623	2.6
179.03491	3.7
179.05550	3.2
191.07141	16.3
193.05048	47.6
197.06625	1.7
205.05008	1.7
207.06590	4.6
235.06116	52.3
236.06421	3.1
239.11688	1.7
265.07147	12.5
283.10852	6.1
289.23627	1.6
295.08163	18.9
309.08582	3.9
327.09836	4.2
329.08813	2.0
336.81406	1.6
337.09470	1.8
355.10364	1.5
371.08557	2.4
387.20309	1.8
389.21881	1.7
417.60449	1.8
431.22610	3.9
459.10098	8.7
468.92966	2.0
473.14496	5.4
491.15604	39.0
491.21225	1.4
491.25974	2.6
492.15491	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67065	0.4
55.01878	0.5
59.01373	4.9
69.03448	0.9
70.91328	0.4
70.91681	1.0
71.01379	3.0
72.99308	1.4
73.02959	3.9
75.00864	11.0
77.83069	0.4
85.02937	0.6
87.00877	1.2
89.02441	12.0
99.42450	0.4
101.02459	0.5
103.04008	1.5
117.90655	0.4
130.99867	1.1
131.03500	7.0
134.06897	0.4
149.04541	100.0
150.04926	2.1
156.72356	0.4
179.05666	0.7
393.21002	0.4
456.59100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99562	1.2
59.01378	100.0
61.98820	1.2
67.27334	1.1
69.03452	1.3
69.24483	10.5
71.01377	20.4
73.02949	21.3
83.01395	6.2
85.02950	4.5
87.00879	1.3
87.74545	1.3
89.02454	8.5
99.04514	73.3
101.02431	27.5
101.03101	1.3
102.98613	2.1
113.02444	13.3
119.03490	4.7
121.06613	1.3
123.04527	2.6
131.03535	2.6
136.10759	1.3
137.09743	7.0
143.03499	22.8
149.04584	5.5
153.05573	3.3
160.01646	1.3
161.02440	1.6
161.04527	13.9
167.57553	1.1
171.13953	1.9
175.03986	2.8
185.11833	5.2
199.13362	3.7
203.05649	1.5
221.06570	3.2
227.12985	5.4
256.58237	1.3
283.04892	1.5
337.09152	1.6
343.11926	1.2
397.33960	1.3
491.21335	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.6
56.95893	2.2
57.03435	6.8
59.01377	82.7
60.09088	2.3
61.98825	36.8
64.24498	2.5
65.03949	14.1
65.69770	2.3
69.03435	5.1
70.51987	8.3
71.01375	92.8
72.99306	13.5
73.02943	29.6
75.00855	9.5
83.01389	8.0
85.02949	41.0
86.64653	2.4
87.00870	8.5
88.98808	23.7
89.02440	37.2
89.07742	2.0
93.03464	4.9
95.01363	10.7
95.05008	3.3
97.02971	2.8
99.00850	11.1
101.02431	75.3
101.06019	2.7
102.34721	2.7
109.02924	4.6
109.34979	2.3
111.00916	2.9
113.01715	4.2
113.02442	49.6
115.04051	3.1
119.03485	11.0
119.04991	3.8
120.99653	3.1
121.06578	12.0
123.04521	13.1
125.02415	3.9
125.06034	4.4
127.07641	3.0
131.03455	3.6
132.02209	2.7
133.02934	32.4
134.03690	2.5
135.04509	20.9
139.04001	25.9
143.03488	12.2
145.02896	3.0
150.03256	14.4
150.05574	8.0
151.03987	7.9
151.07568	2.7
159.02982	4.4
161.02429	100.0
161.04462	32.1
162.02663	3.2
165.05617	11.0
175.03893	4.6
179.03526	14.3
179.05576	7.3
183.06590	19.4
194.05814	2.8
203.03575	2.8
205.07178	3.3
209.04488	5.8
213.07654	3.4
224.66589	2.4
269.10239	24.2
307.13928	18.9
341.08368	2.7
345.12094	13.5
375.12683	3.9
389.10889	33.6
390.11136	3.3
431.15521	98.4
432.15900	4.1
446.92963	3.1
459.14758	2.3
475.12610	14.1
476.15338	5.9
491.18277	53.9
492.14868	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	491.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.2
61.98825	1.6
63.46875	0.5
65.03960	2.1
67.31456	0.5
69.70643	2.3
71.01004	0.9
71.01374	8.9
72.99314	0.9
73.02949	5.0
73.23061	0.4
74.03300	0.5
75.16386	0.5
81.03453	1.0
83.01379	0.9
85.02935	4.8
85.40936	0.4
87.00867	4.6
87.04478	0.5
89.02438	11.0
93.03430	2.4
93.03964	0.5
95.05021	1.0
98.19845	0.5
99.00843	0.9
101.02434	9.3
103.03989	3.4
105.03461	2.1
107.04995	0.6
108.02151	2.2
109.02966	4.3
113.02447	2.6
115.04014	1.1
119.03464	3.3
121.02957	1.2
121.06594	0.5
122.03738	3.2
123.04514	39.0
124.04900	1.0
125.02439	1.7
125.06079	0.9
127.04015	0.8
131.03496	1.7
133.02901	1.1
133.05055	1.0
134.03751	0.5
135.04509	2.5
137.02437	1.4
139.04002	2.4
143.03488	1.7
145.05109	1.8
149.02434	2.9
150.03214	21.1
151.03995	100.0
152.04352	2.7
153.05612	0.9
159.02962	1.7
161.04660	1.0
163.06107	16.9
165.05550	1.9
179.05536	1.5
183.06650	1.4
189.80156	0.5
191.05602	28.6
192.05954	1.1
193.05054	1.9
205.07043	2.7
219.76955	0.5
265.09244	2.2
315.10760	2.0
325.11407	2.1
345.12000	1.6
353.08612	3.2
375.13000	0.8
389.10852	4.6
459.15042	40.6
460.15417	2.9
489.64935	0.6
491.18573	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	491.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
57.03445	4.0
58.03783	1.1
59.01378	54.1
60.99302	15.4
61.98817	1.2
69.03440	1.9
71.01382	10.5
71.53512	0.9
72.01724	1.9
72.99294	1.4
73.02937	2.0
83.01378	8.9
84.01706	1.1
85.02948	10.8
86.03284	2.0
87.00866	1.8
88.98801	100.0
89.02454	1.1
89.07509	0.7
89.99158	1.0
95.01368	3.4
97.02965	1.4
99.00893	1.3
101.02432	4.5
108.02158	2.5
112.01662	1.0
113.02464	6.9
114.02757	1.3
115.03978	0.7
119.05032	2.0
125.02433	1.6
136.01666	2.6
143.03430	1.0
143.10794	2.2
144.11154	0.9
161.04527	1.2
163.03975	1.3
197.15497	1.2
227.07126	21.2
228.07507	1.3
284.23233	1.2
287.22412	0.8
299.25916	1.3
300.26297	3.1
301.26410	1.2
329.17648	2.3
335.34555	0.8
345.30106	3.1
346.30362	8.6
347.30704	1.7
405.07645	0.9
490.34637	33.5
491.13092	1.6
491.28668	2.8
491.34930	17.9
492.28995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32514	0.3
58.00573	0.2
59.01370	4.6
61.98827	0.6
69.29292	1.8
71.01386	0.9
73.02953	0.6
85.02891	0.3
89.02457	0.6
93.03465	0.7
93.25896	0.3
95.01397	0.3
101.02457	1.2
113.02463	0.4
117.03465	0.4
119.05016	100.0
120.05369	3.2
120.46157	0.2
123.54480	0.2
133.02921	0.2
135.04533	0.3
145.02986	0.3
161.04642	0.3
163.03993	90.9
164.04314	3.7
201.65656	0.3
213.14928	0.4
307.08228	0.4
329.23325	0.9
481.65506	0.3
491.18982	2.6
491.25714	0.5
491.28592	0.8
492.19644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01562	2.3
59.01378	15.3
61.98812	5.7
69.38123	12.7
79.74626	2.5
87.82093	2.5
98.20721	4.0
109.06558	2.5
121.06586	4.1
123.08156	3.0
125.09703	5.1
135.04510	2.3
137.02493	3.5
141.60397	2.2
145.99425	2.3
154.23633	2.2
161.02422	2.4
168.99994	2.7
171.10240	8.6
185.11777	7.7
189.99953	2.3
195.13922	5.6
202.61798	2.0
207.10309	4.0
209.11772	12.6
217.12306	7.6
223.13417	5.3
226.53113	2.3
245.11797	4.5
247.13326	3.2
249.11317	4.2
263.12888	5.1
275.19769	2.5
285.03708	3.0
293.21201	100.0
294.21515	7.0
294.37140	2.3
319.15540	5.2
325.07315	3.0
337.16684	3.4
421.90839	3.4
425.39832	2.3
431.24075	2.6
446.10416	2.8
473.25336	19.7
491.13483	36.0
491.26453	33.0
491.33600	7.8
492.13580	3.3
492.26093	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	491.2493
Annotation	Lurasidone
Peak:m/z	Relative Intensity
55.01865	1.0
57.03439	0.8
58.00586	3.0
58.21577	0.5
59.01376	30.3
61.98803	2.4
69.64545	0.5
71.01376	18.0
71.05013	1.4
71.53819	0.9
72.99284	1.1
73.02943	3.0
75.00845	2.4
83.01360	1.1
85.02934	2.9
87.00872	0.9
87.04484	1.1
89.02451	3.2
95.01327	0.6
99.00871	1.1
99.08123	0.9
99.45893	0.6
101.02436	4.8
113.02422	2.5
119.03501	1.0
119.05019	1.6
119.49458	0.5
121.02964	0.7
123.11754	1.2
125.02316	0.6
133.10202	0.5
135.11751	1.6
139.11258	1.1
141.12830	4.8
153.12840	1.0
161.02383	1.2
163.03992	1.5
165.12807	3.3
169.12273	1.3
171.12411	1.2
171.13889	19.8
179.03320	0.8
180.06520	0.6
181.12297	2.3
183.13841	1.6
185.11803	43.8
186.12149	1.2
199.13373	46.3
200.13721	1.8
209.11829	8.5
227.12863	42.8
228.13141	1.6
239.12712	0.9
257.13879	1.1
287.14948	1.8
298.06882	0.7
311.08807	0.5
311.22147	1.0
329.17484	1.1
329.23325	1.4
447.22479	0.8
491.24854	100.0
492.25363	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
57.37656	0.8
58.00575	3.1
59.01377	41.9
61.98826	4.8
63.20388	0.8
64.34946	0.8
69.03439	1.6
71.01377	21.9
71.05006	1.9
72.99284	1.7
73.02921	3.6
75.00839	3.4
83.01370	2.1
85.02915	4.0
87.00863	2.2
89.02441	4.6
99.00846	1.6
101.02441	7.1
109.02892	1.0
113.02395	3.6
114.35136	0.9
119.03561	1.0
119.05034	6.1
121.02895	1.1
133.02869	1.6
135.04456	1.2
135.11783	2.2
137.02339	1.4
137.87657	0.9
139.11249	1.8
140.68161	1.0
141.12822	4.6
145.02846	1.0
146.02109	0.9
161.02429	2.1
161.04497	1.3
163.03957	5.9
165.12732	2.6
169.12296	1.1
171.13890	17.8
179.03470	1.3
181.12251	3.5
183.13814	1.6
185.11807	37.3
197.11757	1.0
199.13370	45.4
200.13686	1.1
209.11797	7.4
227.12865	42.1
239.12785	1.2
311.22086	1.8
329.17728	1.4
329.23157	2.1
431.26373	1.5
449.27115	1.4
491.24783	100.0
492.25095	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	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01720	0.6
61.98822	2.7
69.48849	2.2
71.01378	6.0
73.02946	2.4
75.00821	0.4
83.01398	0.8
85.02947	2.5
87.00874	0.9
87.54789	0.5
89.02439	3.0
98.14697	0.4
101.02448	3.8
109.02969	1.1
113.02435	3.0
119.03513	1.1
121.02989	0.5
123.04588	0.8
133.02946	2.1
135.04546	1.1
141.35988	0.4
149.02487	0.8
161.02440	5.6
161.04572	1.4
165.01988	0.4
167.03526	0.9
175.04022	0.7
179.03615	0.9
179.05626	0.8
203.03696	0.3
229.84332	0.4
239.12811	0.5
251.13034	0.4
269.14026	0.4
283.10895	0.6
311.07858	0.9
327.09744	1.0
329.08582	2.5
371.20724	3.5
387.20047	0.4
389.21814	6.1
389.26566	0.6
403.11331	0.7
431.22888	8.7
432.24005	0.5
459.10547	0.7
491.11755	5.2
491.24686	0.4
491.31165	1.5
492.12427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
58.75564	0.8
59.01374	8.2
61.98829	9.8
69.03455	1.4
69.15408	6.9
71.01373	3.9
83.01408	0.7
85.02922	0.9
89.02431	2.4
95.01392	1.1
97.02939	1.7
99.04504	1.2
101.02422	2.9
107.01335	1.4
108.02178	0.7
109.02980	0.8
113.02433	2.1
119.03480	0.8
121.02892	0.7
123.00867	6.0
123.04520	1.0
124.01650	17.5
125.02443	41.9
126.02766	1.2
133.02946	8.3
135.04514	6.1
136.01566	0.8
137.02458	3.2
147.04550	0.8
149.99580	30.7
151.00290	2.4
161.02419	22.5
161.04456	0.9
162.02730	0.8
168.00629	63.9
169.01389	7.1
175.03987	1.2
179.03493	2.9
179.05537	1.0
179.45193	0.7
183.10294	1.0
187.00325	1.7
197.93349	0.6
206.43515	0.7
221.04453	0.7
259.00882	0.7
286.32266	0.7
288.07657	0.6
312.02798	0.9
313.05609	8.7
331.06671	61.4
332.07187	3.3
433.24274	2.0
475.22037	1.0
493.09818	100.0
493.22604	3.6
494.10037	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	493.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84284	0.3
59.01378	1.3
61.98828	0.4
63.49108	0.3
69.50652	1.2
69.51080	0.9
71.01368	0.9
72.99283	0.3
73.02945	0.3
79.00928	0.3
83.31757	0.3
84.30581	0.3
85.02955	0.4
87.00880	0.3
87.61500	0.3
89.02425	0.6
89.03964	0.3
95.05006	0.4
105.03457	0.9
107.05053	0.3
107.87106	0.3
108.02102	0.4
109.02950	2.3
113.02426	0.7
117.03423	0.7
122.03757	0.9
122.24750	0.3
123.04520	5.4
132.02153	1.5
133.02946	33.5
134.03699	1.0
135.04514	21.9
136.04794	0.5
137.02455	0.5
139.03989	0.5
149.02422	0.7
149.06050	0.5
150.03220	6.8
151.03995	11.6
161.02425	100.0
162.02754	3.0
175.04002	0.6
177.05589	1.7
178.02831	0.5
179.03481	19.4
180.03793	0.7
201.39903	0.3
203.03491	5.5
205.15692	0.3
212.88562	0.3
221.04524	1.6
232.01791	0.3
233.04420	1.0
251.05620	0.9
281.06769	1.4
295.08163	0.4
313.09134	0.5
323.07736	2.1
335.30658	0.3
341.08710	6.7
383.09714	4.5
384.09750	0.4
443.08261	0.4
443.38062	0.3
467.86212	0.3
475.12390	29.5
476.12857	2.6
493.13467	36.7
494.13861	3.7
503.54678	0.4
508.80151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1351
Annotation	7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone 4'-O-glucoside
Peak:m/z	Relative Intensity
59.01379	10.1
61.98814	2.3
66.40417	0.5
70.66434	1.3
71.01379	6.4
73.02937	0.6
75.11723	0.6
77.03953	0.5
82.00354	0.5
82.12775	0.5
83.01383	1.0
85.02933	1.2
87.00891	1.2
87.45729	0.4
89.02435	4.9
92.86366	0.5
93.03448	0.4
99.00861	0.5
101.02411	2.6
105.03442	1.2
109.02944	1.7
113.02460	3.3
117.03463	0.6
119.03477	2.2
123.04504	5.2
125.02445	1.0
132.02168	1.6
133.02950	32.4
134.03816	0.9
135.04518	23.1
136.04829	1.2
149.02437	0.8
149.05951	1.1
150.03230	6.9
151.00418	1.0
151.03999	11.7
161.02432	100.0
162.02742	3.1
165.05536	1.1
175.03986	1.4
177.05573	2.6
179.01874	1.1
179.03484	20.2
179.05318	1.0
179.05647	1.0
180.03871	1.2
181.00948	0.5
195.06520	0.6
203.03488	6.5
221.04530	1.4
233.04431	1.0
251.05632	0.9
268.70004	0.5
281.06577	1.4
313.09595	0.6
323.07672	1.5
331.09061	0.9
331.17664	1.5
339.92197	0.5
341.08762	6.6
383.09744	4.3
433.24469	4.3
475.06976	0.3
475.12402	33.5
476.12729	2.5
493.13507	35.3
493.21521	1.1
494.13937	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	493.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01733	1.4
61.98830	17.9
69.03467	1.8
71.01378	27.6
71.02922	0.8
71.53616	1.3
72.99323	1.2
73.01540	0.9
73.02942	40.5
83.01390	11.1
85.02931	4.5
89.02435	8.2
95.01390	1.8
97.02941	1.5
99.04552	4.4
100.99223	1.0
101.02431	40.5
111.37866	0.8
112.62942	1.0
113.02441	16.4
113.03172	1.4
116.28927	0.8
119.03495	4.5
125.02449	2.0
128.99403	0.8
131.03494	3.4
135.24335	0.8
143.03494	5.5
149.04599	6.0
155.03500	1.2
161.02443	1.3
161.04568	13.4
168.59573	0.9
203.05524	2.4
210.54877	1.1
221.06641	3.7
346.11746	1.4
413.21796	1.2
416.72742	1.0
493.15967	1.4
493.23032	1.8
493.30295	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38427	0.4
51.95114	0.3
54.63729	0.3
55.01876	0.9
57.03455	0.5
58.20942	0.4
58.67024	0.3
59.01377	100.0
60.01722	1.0
61.71606	0.4
61.98839	0.6
65.95570	0.3
69.24526	1.2
69.24947	1.7
71.01379	8.0
72.99274	0.4
73.02942	3.3
83.01389	1.8
83.64453	0.3
85.02957	4.0
87.00885	0.5
89.02460	1.0
93.39650	0.3
95.01404	0.6
95.31091	0.3
99.00894	1.1
99.27342	0.3
101.02437	7.2
113.02438	3.8
114.62477	0.3
117.03461	0.6
119.03497	0.6
119.05031	0.4
133.02910	0.4
133.78914	0.3
135.04527	0.7
137.02432	0.8
145.02945	1.9
159.02965	0.5
161.02448	1.0
161.04553	2.3
163.03993	0.5
179.03471	0.5
189.12302	0.3
212.96791	0.3
213.14856	0.4
331.19101	0.7
331.24911	1.7
353.19824	1.2
371.20721	7.5
372.21149	0.7
413.21774	7.7
414.22314	0.6
475.13107	0.5
493.14771	0.8
493.23874	0.5
493.30042	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	493.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72961	0.8
59.01376	100.0
59.84851	0.7
60.01709	1.1
61.98827	5.4
65.01997	0.8
70.43486	0.8
71.01376	11.0
73.02941	6.3
83.01369	1.8
85.02928	2.5
89.02442	6.1
99.00877	1.0
101.02431	7.0
107.05051	4.2
113.02444	5.4
119.03491	1.8
119.05024	1.4
128.64766	0.8
149.04539	0.8
151.03957	1.8
153.09195	1.8
156.80045	1.0
159.87817	1.0
161.02480	1.2
161.04530	2.9
163.03918	0.8
310.91028	0.9
371.20773	4.0
413.21686	8.1
451.21054	1.2
493.17239	2.0
493.24506	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	493.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83141	0.6
55.16579	0.7
57.18327	0.7
59.01376	100.0
60.01697	1.1
61.98827	1.0
69.47498	3.5
69.47917	2.0
71.01373	8.3
72.99340	0.8
73.02945	3.4
75.00851	0.8
78.37040	0.8
83.01385	1.0
85.02937	4.8
85.25410	0.7
87.00842	0.9
89.02458	2.4
98.20645	1.7
101.02444	6.5
113.02457	4.1
117.03506	1.0
120.56461	0.7
132.71379	0.8
133.47531	0.7
135.04535	0.7
145.02975	1.9
161.02483	1.7
161.04597	2.8
203.03633	1.0
255.46927	0.9
302.86752	0.9
331.19162	1.0
331.25018	1.0
353.19644	1.8
371.20630	6.8
394.39294	0.8
413.21881	6.7
414.22443	1.0
493.24457	1.0
493.30145	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	493.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32796	1.3
55.01880	1.6
59.01375	100.0
61.98826	75.0
62.98539	1.7
69.36359	11.8
71.01370	33.9
72.99303	2.1
73.02941	52.2
79.61186	1.4
83.01394	12.8
85.02940	5.2
87.00865	2.3
87.01720	1.3
88.98831	1.8
89.02422	11.5
95.01374	1.9
101.02438	42.5
104.93698	1.3
105.89231	1.3
106.06596	1.7
113.02435	15.3
119.03486	5.8
122.10433	1.3
122.99892	1.4
125.02471	2.3
125.50460	1.3
131.03465	2.6
133.02951	3.0
134.03719	1.5
135.04498	2.1
143.03488	5.1
149.04497	8.2
150.05545	2.1
155.03496	2.0
161.02426	4.9
161.04541	13.5
163.03958	1.7
175.04022	1.5
179.03444	2.2
203.05573	1.9
206.12675	2.2
221.06631	4.9
250.11668	1.8
285.07712	1.9
331.08047	2.4
331.12915	7.8
352.86728	1.5
396.25113	1.6
422.42615	1.4
430.18127	2.0
433.24121	4.3
493.13171	1.4
493.22891	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	493.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36967	0.2
54.85179	0.2
59.01374	5.0
61.98820	0.8
67.17046	0.3
70.13116	0.3
71.01389	1.5
71.53114	0.3
73.02957	0.7
79.74512	0.2
85.02942	0.4
89.02452	0.6
93.03437	0.6
100.28810	0.2
101.02454	0.7
113.02470	0.5
117.03463	0.4
119.05022	100.0
119.74245	0.2
120.05341	2.9
133.02885	0.4
138.29506	0.3
145.02931	0.4
158.87044	0.3
160.09998	0.2
161.02403	0.4
163.04001	84.7
164.04372	2.8
167.67648	0.2
171.13878	0.4
187.13379	1.9
201.14941	3.4
220.75819	0.3
229.14496	0.8
230.05786	0.4
271.16962	0.3
281.07858	0.3
331.24902	0.9
366.76843	0.3
465.15527	1.1
475.13303	0.4
493.14731	1.4
493.20511	1.6
493.26718	1.6
493.30344	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19409	0.2
55.86044	0.2
59.01377	7.6
61.98829	1.3
65.88597	0.2
69.03436	0.2
71.01391	4.4
71.01808	0.5
72.99303	0.9
73.02938	1.1
80.11726	0.3
83.01384	0.5
85.02945	1.8
89.02446	0.9
96.08938	0.2
99.00854	0.4
101.02437	2.5
101.03952	0.8
103.05565	0.5
113.02432	1.6
117.03505	0.4
119.05021	8.0
125.02496	0.3
129.03456	10.6
130.04283	1.6
133.02974	0.3
135.04533	0.5
145.02948	1.7
146.03732	2.3
147.04510	50.1
148.04825	1.6
157.94727	0.2
161.02449	0.5
161.04544	1.1
164.04601	0.4
165.05556	100.0
166.05920	3.2
173.02374	0.3
179.03758	0.3
183.10220	0.7
289.16309	0.3
309.09839	0.6
316.10306	0.3
327.10794	0.4
346.15164	0.3
433.28082	0.7
451.21909	1.8
451.28021	0.3
475.21860	0.7
493.21207	6.3
494.22150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03447	2.1
58.00591	3.7
59.01376	100.0
60.01699	0.9
61.72557	0.6
61.98830	4.4
63.12630	0.6
65.03962	6.8
69.03462	2.1
69.49473	3.7
69.49891	1.2
71.01376	63.4
72.99316	4.8
73.02934	4.3
75.00908	0.9
78.03501	1.2
81.03465	0.7
83.01378	3.7
83.07504	0.6
84.56465	0.7
85.02947	13.6
87.00877	4.1
88.98808	1.9
89.02439	72.5
90.02781	1.1
93.03455	1.6
93.75175	0.6
95.01381	5.0
95.05044	1.4
99.00872	1.4
101.02435	42.0
105.03475	1.0
107.05023	0.6
108.02163	0.8
108.04556	0.6
109.02975	2.6
113.02446	29.5
117.03525	0.9
119.03496	35.2
119.04983	1.7
121.06588	3.4
122.02477	23.3
123.04515	6.7
125.02467	2.8
131.03522	3.0
132.02193	1.2
133.02943	21.0
134.03355	0.7
135.03511	1.3
135.04518	21.3
135.05525	1.2
136.04047	2.8
137.02449	1.5
139.04010	10.9
139.05019	0.9
143.03496	6.2
148.05309	0.7
149.02551	0.8
149.04610	2.9
149.06091	3.0
150.03207	8.9
151.04013	14.5
159.02974	1.9
161.02432	78.5
161.04396	7.2
162.02831	1.9
163.04057	0.8
164.72108	0.9
165.05580	6.5
169.01405	1.9
177.05574	4.2
177.43173	0.7
178.18610	0.8
178.98706	0.7
179.03535	22.0
179.05634	13.4
180.03787	0.8
183.06604	7.8
187.02718	0.7
203.03462	1.1
209.04590	2.7
221.04553	8.4
221.06609	0.9
251.05612	4.2
281.06662	10.2
313.16476	1.6
323.07755	2.5
327.10995	2.9
331.06705	1.6
331.13232	2.9
331.17816	2.6
341.08734	6.2
345.15649	0.8
371.09970	1.8
383.09903	2.6
433.24536	1.5
450.14041	4.1
475.12396	37.9
476.12921	2.7
493.13818	17.2
493.23145	72.1
494.13315	3.8
494.23215	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39164	0.5
53.04202	0.5
55.01868	1.3
56.31501	0.5
57.03437	1.7
58.00587	4.8
59.01376	100.0
60.01701	0.6
61.73704	0.5
61.98837	3.0
65.03952	7.9
68.99811	0.6
69.03466	2.1
69.94779	2.6
70.56216	0.5
71.01376	64.9
72.01720	1.1
72.99316	4.1
73.02942	4.8
77.13322	0.5
78.03492	1.4
83.01377	3.8
84.02179	0.6
85.02941	13.6
86.24783	0.6
87.00870	4.2
88.98813	2.9
89.02438	69.7
90.02767	1.0
93.03465	1.2
95.01379	4.5
95.05014	0.6
97.02954	0.9
99.00895	2.1
101.02436	40.1
103.93554	0.6
108.02151	0.6
109.02967	1.3
111.00874	1.1
113.01627	0.8
113.02438	24.6
119.03492	32.6
119.05027	1.7
121.06573	4.3
122.02473	22.5
123.04520	6.6
125.02415	3.0
129.01964	0.9
131.03523	3.8
133.02946	17.2
133.03902	1.1
134.03781	0.7
135.04518	17.2
136.04068	4.3
137.02458	1.4
139.04004	10.3
143.03502	6.4
148.05356	0.6
149.02448	0.9
149.04475	3.0
149.06134	2.1
150.03186	6.5
151.03986	11.7
151.05125	0.9
159.03011	1.8
159.80598	0.7
160.01547	0.7
161.02429	62.9
161.04388	5.9
162.02821	2.3
163.04053	0.8
165.05565	5.6
169.01469	2.3
175.02475	0.6
177.05562	3.9
179.03537	16.9
179.05643	13.1
180.03873	1.1
183.06586	7.7
184.35945	0.6
188.90456	0.5
203.03571	1.4
209.04643	2.2
221.04550	8.1
227.05626	0.7
251.05551	4.3
281.06622	6.5
298.40872	0.6
313.16708	1.4
323.07886	1.9
327.10703	3.6
331.06873	1.0
331.13257	2.4
331.17743	2.3
341.08713	6.3
345.15692	0.7
371.10010	1.8
383.09631	2.6
433.23959	1.1
450.13983	4.4
475.12430	30.7
476.12949	2.0
493.13889	13.5
493.23190	68.8
494.13202	4.9
494.23187	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	494.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.4
60.01711	1.7
61.98820	10.1
65.03960	35.6
66.04295	1.1
67.01870	0.8
68.99805	2.0
69.03451	9.1
69.25286	2.8
69.25706	3.5
71.01384	10.5
72.01727	1.6
72.99313	1.5
73.02934	2.0
78.03481	4.9
80.02689	0.8
81.03482	0.8
82.57972	0.6
83.01376	1.1
85.02955	2.4
87.00890	1.2
89.02438	8.3
91.05500	0.7
93.03456	6.4
95.01409	0.9
95.05032	3.0
98.19958	1.4
99.00861	1.7
100.01261	0.7
101.02430	7.5
103.05502	1.3
106.04224	2.4
107.05038	1.2
113.02452	4.9
119.03539	4.2
119.05009	4.9
121.02943	1.2
121.06594	16.0
122.02477	100.0
123.02834	2.7
123.04528	1.8
125.02393	0.8
133.03003	3.3
134.03293	2.2
135.04512	3.6
136.04008	14.4
136.04878	1.3
139.04010	46.2
140.04369	1.1
146.95245	0.7
149.06056	1.1
150.03186	1.0
151.03944	2.4
152.04340	1.0
161.02440	11.7
162.02779	6.6
163.03970	0.9
163.07698	0.6
164.03535	2.0
165.04163	1.6
165.05560	27.3
166.05901	1.3
179.03459	3.5
179.05617	1.5
180.03831	2.3
181.04999	0.9
183.06615	36.8
184.06941	1.3
191.05606	1.7
209.04526	10.6
221.04559	0.7
222.04865	0.8
225.07764	0.8
227.05608	3.0
251.05498	0.8
281.06793	0.8
282.07150	1.2
327.10849	16.2
341.08752	1.0
342.09204	2.0
371.09729	8.3
450.13986	19.5
451.14557	1.8
476.12772	8.9
477.13095	1.2
494.13101	19.0
494.23169	6.2
495.13708	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	494.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
70.83685	0.3
70.84023	0.4
79.62714	0.3
87.69272	0.2
150.17680	0.2
161.02441	0.4
236.79256	0.2
237.99345	0.3
282.75085	0.2
303.93909	0.2
324.44366	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01070	1.4
59.01378	40.7
61.98826	100.0
71.01374	5.8
71.34309	1.3
73.02960	2.3
75.99812	0.5
83.01389	1.3
85.02966	2.2
87.04517	1.2
88.98836	0.7
89.02456	1.6
99.00906	0.7
101.02448	4.6
103.04016	2.1
107.70643	0.6
113.02454	2.5
117.03512	0.6
117.16299	0.6
122.06693	0.6
145.02997	2.0
146.03300	1.1
157.62650	0.5
161.02473	0.9
161.04572	2.2
163.04037	0.7
165.12827	1.1
182.71614	0.6
197.06760	0.6
237.10435	0.7
290.18747	0.6
320.27597	0.7
327.18054	3.7
331.25055	0.8
345.19119	8.6
387.20276	10.7
494.21857	2.0
494.30771	2.5
495.29547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.3
61.98822	1.9
63.27677	0.8
69.36402	5.3
71.01385	4.2
83.01391	0.8
85.02946	3.0
89.02451	1.5
101.02424	3.4
111.60812	0.9
113.02452	1.7
117.03438	1.7
121.57798	0.8
132.02159	13.5
133.02969	1.9
134.02745	1.3
134.03735	20.6
144.26813	0.8
149.06094	2.6
157.08650	2.0
160.01648	77.1
161.02121	1.9
161.04567	1.2
175.03983	100.0
176.04314	3.3
178.02684	1.2
189.55391	0.7
193.05034	29.2
203.07292	0.7
220.18459	0.7
332.66043	0.8
342.85843	0.8
342.90237	0.8
397.49573	0.9
400.67200	0.9
421.48224	0.9
478.74493	1.0
495.18683	99.5
496.18997	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	495.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
59.01379	8.3
61.98836	4.3
69.34509	1.6
69.34924	1.1
71.01376	5.3
73.02945	1.5
75.00838	0.4
83.01390	0.9
85.02943	2.2
87.00865	0.6
89.02444	1.6
91.68630	0.3
95.01429	0.5
97.02917	0.5
97.36606	0.4
101.02430	3.3
111.04498	1.0
113.02443	2.5
117.03471	1.4
119.03466	0.7
121.02899	0.3
132.02167	15.8
133.02922	1.7
134.03738	23.7
135.04207	0.6
137.02417	0.9
139.04005	0.6
147.87357	0.4
149.06050	3.4
149.30472	0.4
151.15508	0.4
153.27852	0.4
157.08678	1.4
159.02919	0.5
160.01651	81.4
161.02040	2.9
175.03990	99.2
176.04323	3.2
178.02684	1.0
179.03477	0.8
185.11812	2.3
187.13448	0.4
192.04300	0.4
193.05037	27.4
194.05426	0.8
221.04520	0.5
235.06070	0.6
245.23982	0.4
259.10492	0.4
284.88913	0.4
287.91827	0.4
337.09244	0.5
408.96310	0.4
410.00916	0.4
480.16119	0.6
495.18701	100.0
496.19052	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	496.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.3
61.98828	73.0
71.01369	3.0
73.02955	3.7
73.08054	0.6
81.21886	0.7
83.01395	0.9
85.02958	0.8
88.98817	0.7
101.02448	2.5
113.02482	1.1
115.59579	0.7
125.02460	0.8
139.11258	1.3
145.77745	0.8
160.55695	0.7
161.02429	1.2
171.13829	1.0
185.11813	100.0
186.12137	3.5
191.52332	0.7
207.74077	0.7
227.12852	2.0
258.30060	0.8
408.38834	0.8
496.18668	1.9
497.16656	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
61.98826	100.0
71.01381	0.8
71.44477	0.6
85.02955	0.4
85.30450	0.2
89.02461	0.5
96.96004	0.6
101.02452	0.8
108.02168	2.1
113.02462	0.4
117.03461	0.6
119.05038	0.8
132.02177	0.6
134.03757	1.0
145.02943	2.4
146.02092	0.3
160.01659	4.0
161.02274	0.3
163.04041	0.7
175.03978	4.5
176.04288	0.3
177.39403	0.2
185.11771	1.2
186.12175	0.7
189.07744	0.3
193.05109	1.1
265.07278	0.5
271.02518	0.5
300.02762	0.8
328.13000	0.3
433.07626	0.7
461.14386	1.9
496.19113	0.5
497.20288	5.0
497.26544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69292	0.8
51.53501	0.9
54.31639	0.8
59.01370	8.7
61.98826	24.7
65.47552	1.0
69.23771	2.8
69.24191	4.5
71.01389	5.2
73.02943	1.5
74.69028	0.9
75.00869	2.4
75.75594	0.9
75.92448	0.9
85.02953	2.7
87.00849	1.2
89.02438	2.7
93.03432	1.2
96.96006	1.8
101.02437	5.3
108.02168	66.8
109.02470	1.7
113.02438	2.7
117.03459	20.0
119.05022	19.8
121.02946	1.4
123.04495	1.3
132.02174	2.5
132.05811	1.2
133.02936	1.2
133.06604	4.7
134.03708	4.4
135.04578	5.9
145.02945	100.0
146.03244	2.3
151.04146	1.0
160.01648	14.7
161.02328	2.0
161.04721	1.1
161.06064	12.5
163.03996	26.7
164.04378	1.3
175.03998	15.8
177.05582	5.1
187.03909	1.1
187.13344	1.1
193.05026	3.9
201.14963	1.5
202.20775	1.0
205.05025	18.7
235.06084	8.9
244.80939	0.9
265.07123	15.5
325.09256	2.9
461.14468	93.0
462.14871	8.7
497.20309	23.9
498.20352	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54981	1.8
58.00571	1.7
59.01375	37.4
60.19440	1.8
61.98817	10.2
69.24986	1.7
69.39130	13.4
71.01380	22.8
73.02937	19.3
75.00839	2.1
83.01388	3.6
85.02948	5.9
89.02445	8.5
96.96013	3.6
99.00883	2.6
101.02438	15.8
108.02168	72.4
113.02442	7.9
117.03459	23.3
119.03484	3.0
119.05015	17.5
121.02949	2.8
132.02142	7.6
132.54056	2.0
133.02942	2.9
133.06534	4.1
134.03731	11.6
135.04503	4.0
143.08217	1.9
145.02943	100.0
146.03281	2.2
149.06021	2.2
150.59680	1.8
152.45369	2.0
159.04517	2.8
160.01654	41.1
161.02466	1.9
161.04704	3.1
161.06053	13.5
162.76674	1.8
163.04012	29.3
173.06079	2.4
175.03966	45.3
176.04317	3.1
177.05547	3.9
187.04053	3.7
187.07651	19.9
193.05070	9.1
201.05504	4.6
202.06349	24.8
205.05077	22.6
231.10220	29.1
235.06114	7.3
265.07108	16.8
393.15555	8.1
411.16562	31.0
412.16949	2.4
434.11600	8.2
453.17606	48.3
454.17725	3.4
461.14493	68.1
462.14899	6.4
497.20193	46.8
498.20410	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1657
Annotation	6-O-Vanilloyl-ajugol
Peak:m/z	Relative Intensity
59.01370	7.6
61.98824	2.6
62.38553	0.4
71.01376	4.5
71.29049	0.6
72.99310	0.7
73.02918	0.8
85.02951	1.4
85.51349	0.4
87.00867	0.5
89.02431	2.4
93.03448	0.5
96.96033	0.7
101.02449	3.0
105.03426	0.5
107.05013	0.5
108.02173	1.9
113.02425	1.1
117.03464	1.7
119.03497	1.1
119.05002	1.2
132.02132	1.3
133.02946	27.7
134.03542	1.3
135.04514	14.4
136.04848	0.7
137.02411	0.6
139.03979	0.6
145.02977	2.8
149.06062	1.5
151.03975	0.6
159.03001	0.4
161.02425	100.0
162.02769	3.7
163.02829	0.6
163.04028	1.5
177.05551	3.8
179.03485	16.1
180.03769	0.5
191.05553	1.4
205.05070	0.6
221.04517	5.9
222.04788	0.6
235.06073	0.6
251.05629	3.2
265.07181	1.2
281.06656	6.4
282.07010	0.9
320.52884	0.6
325.09366	0.6
335.12042	0.5
341.08789	3.0
446.99341	0.5
461.14365	1.6
479.15500	46.6
480.15759	3.6
497.16580	43.4
498.16925	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	497.1661
Annotation	Globulusin B
Peak:m/z	Relative Intensity
59.01347	2.8
59.45883	0.9
61.98811	1.8
69.03423	2.6
69.34953	0.9
69.53159	2.2
69.53571	4.1
71.01373	7.4
73.02924	1.6
81.03413	1.1
83.01360	2.3
85.02919	3.8
89.02422	1.4
95.01365	1.6
97.02932	2.4
99.04509	1.6
101.02401	3.1
107.01324	1.6
108.02146	4.3
109.02953	4.6
113.02423	4.7
121.37724	0.9
122.02823	1.1
122.03733	17.9
123.00890	6.9
123.04520	26.1
124.01661	18.3
125.02440	43.5
126.02736	1.3
133.39775	0.9
135.04486	1.4
137.02486	5.1
149.99576	26.7
151.00291	2.4
161.04529	4.7
168.00624	55.9
169.01399	4.6
179.03491	1.9
185.11800	38.8
186.12036	2.2
199.13441	1.4
261.07419	1.5
313.05420	1.5
370.73734	1.0
497.16345	100.0
498.16733	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	497.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51957	0.5
59.01381	7.1
60.17961	0.5
61.98827	7.2
69.35231	4.3
71.01377	6.6
73.02939	2.4
83.01384	1.1
85.02947	2.7
85.74271	0.5
87.00870	1.0
89.02439	2.3
96.96001	0.6
98.19858	1.0
101.02448	4.2
108.02169	5.4
113.02444	2.3
117.03474	3.0
119.04971	1.6
121.02924	0.6
132.02158	13.6
133.02979	3.1
133.06573	0.7
134.03725	16.7
135.04533	1.6
137.02428	1.0
145.02936	6.5
149.06056	2.0
159.04523	0.5
159.10175	0.8
160.01648	74.4
161.01991	2.8
161.04665	0.7
161.06059	0.8
162.52937	0.5
163.04004	1.8
175.03986	87.3
176.04353	3.7
177.05556	1.2
178.02635	0.8
179.03493	2.0
187.07613	1.2
193.05031	18.9
194.05426	0.6
198.56757	0.6
201.05482	0.6
202.06329	2.6
205.04977	1.3
217.88568	0.6
231.10240	2.6
235.05994	0.9
265.07147	1.3
273.14905	0.6
391.19659	0.6
393.15271	1.3
408.68530	0.5
411.16592	2.7
453.17703	4.2
461.14499	5.0
482.17902	0.7
497.20258	100.0
498.20578	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	497.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51957	0.5
59.01381	7.1
60.17961	0.5
61.98827	7.2
69.35231	4.3
71.01377	6.6
73.02939	2.4
83.01384	1.1
85.02947	2.7
85.74271	0.5
87.00870	1.0
89.02439	2.3
96.96001	0.6
98.19858	1.0
101.02448	4.2
108.02169	5.4
113.02444	2.3
117.03474	3.0
119.04971	1.6
121.02924	0.6
132.02158	13.6
133.02979	3.1
133.06573	0.7
134.03725	16.7
135.04533	1.6
137.02428	1.0
145.02936	6.5
149.06056	2.0
159.04523	0.5
159.10175	0.8
160.01648	74.4
161.01991	2.8
161.04665	0.7
161.06059	0.8
162.52937	0.5
163.04004	1.8
175.03986	87.3
176.04353	3.7
177.05556	1.2
178.02635	0.8
179.03493	2.0
187.07613	1.2
193.05031	18.9
194.05426	0.6
198.56757	0.6
201.05482	0.6
202.06329	2.6
205.04977	1.3
217.88568	0.6
231.10240	2.6
235.05994	0.9
265.07147	1.3
273.14905	0.6
391.19659	0.6
393.15271	1.3
408.68530	0.5
411.16592	2.7
453.17703	4.2
461.14499	5.0
482.17902	0.7
497.20258	100.0
498.20578	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	497.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82096	0.6
59.01372	4.5
61.98825	6.6
71.01383	4.2
73.02941	1.4
75.00861	0.7
83.01347	0.8
85.02946	2.8
89.02434	1.2
101.02420	2.7
103.00328	0.8
113.02429	1.4
117.03452	0.9
119.26925	0.7
132.02158	11.6
133.02913	2.7
134.03734	14.1
135.04469	1.1
137.02461	1.0
149.06085	2.4
151.97105	0.6
160.01649	63.0
161.02022	2.6
161.04413	0.9
173.58464	0.6
175.03981	79.1
176.04381	3.8
179.03455	0.9
191.05624	1.0
193.05026	15.8
218.66678	0.7
237.82991	0.7
251.56198	0.8
259.13992	0.6
340.46606	0.7
361.00165	0.6
409.56430	0.8
477.04492	0.7
482.17429	0.8
497.20248	100.0
498.20605	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2752
Annotation	Simplexin I
Peak:m/z	Relative Intensity
52.46584	0.5
55.01873	0.7
56.40728	0.5
57.03438	0.8
58.00578	1.0
59.01375	44.5
61.98812	2.1
69.03437	1.0
69.18091	1.0
69.18497	3.9
71.01375	27.1
72.99286	1.7
73.02942	25.9
74.53004	0.5
76.86181	0.5
83.01380	7.6
85.02930	4.4
87.00865	2.3
89.02448	6.3
95.01376	1.4
97.47292	0.5
98.19855	0.8
99.00829	1.2
100.45814	0.5
101.02436	21.3
113.02438	6.6
119.03459	1.6
125.02394	1.5
131.03496	1.2
143.03473	0.9
149.04463	0.8
155.03510	0.7
161.04535	2.1
183.13974	0.6
275.20126	13.2
276.20514	0.6
277.21695	0.9
291.19315	0.6
293.21185	23.6
294.21634	1.1
364.18918	0.5
367.94318	0.5
379.75076	0.5
437.25388	7.4
438.25558	0.6
455.26486	14.8
456.26843	1.6
493.14331	0.6
497.27490	100.0
498.27829	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	497.2757
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
55.01855	1.0
57.03434	4.5
58.00584	2.3
59.01374	45.8
61.98824	3.8
69.03461	5.3
71.01378	23.1
71.04994	1.7
72.99297	2.3
73.02930	3.8
80.05058	2.0
83.01370	2.0
85.02932	8.0
87.00875	1.5
89.02439	23.2
95.01358	1.6
98.19903	1.9
101.02431	15.5
113.02441	9.8
119.03468	8.9
121.09450	0.9
121.10191	5.5
122.06133	1.1
122.65557	1.1
129.04585	0.9
131.03568	1.1
152.07101	1.9
161.04471	1.2
203.18069	1.2
239.11942	1.8
245.12929	1.1
317.21164	100.0
318.21442	5.9
331.91763	1.0
335.22183	5.1
351.96637	1.1
377.23349	3.7
393.34332	1.1
497.27496	42.4
498.27899	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70863	0.1
52.82700	0.1
59.01375	2.5
61.25248	0.1
66.29604	0.1
69.59779	0.3
69.60184	0.6
78.64382	0.1
97.06574	0.3
98.20742	0.2
107.93062	0.1
145.92657	0.1
159.06673	0.2
185.13286	0.1
234.18521	0.1
277.67435	0.1
437.34253	2.9
438.34671	0.4
497.36304	100.0
498.36685	10.9
499.58145	0.1
515.23962	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	497.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	0.7
70.02848	0.2
71.26868	0.4
142.68074	0.2
162.99971	0.3
198.89374	0.3
277.41177	0.3
437.34549	0.4
497.36325	100.0
498.36722	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	498.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56123	0.5
54.65588	0.5
56.88562	0.4
59.01374	4.5
61.98829	51.5
69.17146	4.6
69.58557	0.4
71.01384	2.8
73.02953	3.6
76.01119	0.4
83.01382	0.5
89.02460	0.5
92.31252	0.5
94.91787	0.5
101.02425	1.3
113.02473	1.0
117.23585	0.5
125.02415	0.6
129.50809	0.6
141.12840	1.2
149.89659	0.5
151.00336	0.6
168.14693	0.4
169.12332	0.7
171.13892	1.3
185.11847	0.5
187.13377	100.0
188.13737	3.1
201.14919	6.0
203.05562	0.9
214.72614	0.5
229.14424	3.1
327.14749	0.6
337.08960	0.6
344.06226	0.5
432.35431	0.5
499.18216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.03452	0.5
59.01369	3.1
61.98841	1.7
68.99809	2.3
69.03462	0.9
70.81644	0.4
71.01379	3.9
71.52032	0.7
72.99329	0.8
73.02958	1.6
75.00874	1.4
83.01395	1.6
85.02947	5.4
85.91405	0.5
87.00891	2.6
89.02450	1.2
93.03455	0.8
95.01395	1.7
96.96040	1.5
97.02983	1.3
99.00885	4.9
101.02455	2.0
108.02174	4.3
111.00901	3.3
111.04579	0.6
113.02455	6.5
113.99587	12.8
115.00387	5.1
117.03497	0.5
123.04533	2.7
125.02417	0.7
127.00385	3.2
129.01936	3.0
133.02942	1.1
135.04536	2.9
137.02464	0.8
139.00404	1.0
139.04042	0.9
141.01945	2.0
145.02974	1.3
149.02434	1.8
153.01950	0.6
154.28354	0.5
156.00674	1.2
157.01387	5.0
159.02977	6.6
161.02490	1.6
163.04024	0.7
167.03519	2.9
169.01401	0.9
170.06824	0.6
173.04651	0.6
174.01672	11.3
175.02461	1.6
179.03548	2.2
191.05623	1.2
201.04091	1.2
225.76921	0.5
255.41135	0.4
277.05627	23.2
309.06229	1.0
319.06573	1.8
337.07739	100.0
338.08115	4.1
342.40390	0.6
353.11008	1.0
426.24722	0.5
439.08707	0.6
481.09433	0.7
499.10876	30.2
500.11499	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1453
Annotation	kn-93
Peak:m/z	Relative Intensity
51.35065	0.4
56.72325	0.4
57.02064	0.7
57.03436	1.1
59.01390	2.3
59.01620	0.4
60.99304	3.4
61.98828	1.3
66.80228	0.5
67.01886	9.0
69.03455	2.5
71.01379	4.2
73.02943	0.9
77.91138	0.4
81.03458	1.7
83.05029	1.3
85.02951	3.9
87.00878	11.2
89.02464	1.0
91.97652	0.4
93.03455	65.1
93.75432	0.5
94.03793	1.0
96.96028	3.9
99.00883	1.5
99.04527	0.7
101.02444	1.3
108.02203	1.2
109.02969	0.6
110.77424	0.5
111.00797	0.6
111.04514	9.9
113.02464	1.1
119.05019	29.7
120.05357	0.9
121.02995	0.6
123.04487	0.9
127.04022	0.7
128.36627	0.5
129.01926	1.9
133.02991	0.5
135.04469	0.9
137.02437	0.8
139.03976	1.2
143.03476	0.7
145.02975	1.7
149.02409	1.3
155.03494	2.9
161.02431	2.0
163.04004	19.0
164.04300	0.6
173.04541	16.9
179.03577	0.6
191.05600	72.4
192.05927	1.9
244.67943	0.5
277.05612	0.9
337.09357	8.9
379.10577	0.8
469.17081	2.2
481.17389	0.8
499.14526	100.0
500.14975	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1814
Annotation	Rolapitant
Peak:m/z	Relative Intensity
50.53673	0.8
50.82862	0.6
53.36889	0.8
55.88628	0.7
58.00620	0.7
59.01379	10.6
61.98832	3.3
62.21921	0.7
67.46379	0.7
69.51980	5.3
71.01376	10.4
73.02941	2.5
81.03446	1.2
83.01388	2.5
85.02954	4.0
87.00876	1.5
89.02446	3.3
93.50121	0.8
95.01385	2.8
97.02957	1.5
98.19954	1.8
99.00834	1.4
99.04558	0.9
101.02417	7.5
108.02162	0.9
109.02940	1.7
111.00874	2.2
111.04486	1.5
113.02441	4.0
119.03486	1.3
119.05104	0.9
120.99275	0.8
121.02952	16.7
122.00151	1.1
123.00848	5.6
127.00358	2.8
132.02206	1.6
133.02957	26.0
135.04533	7.9
136.98793	1.6
137.02438	8.9
138.03188	2.1
139.00371	2.8
139.04007	1.1
141.01913	1.0
145.02913	1.1
149.02475	1.0
153.01974	1.3
153.05563	17.5
154.02805	1.2
155.03459	1.5
157.08690	3.3
161.02429	100.0
161.14833	0.8
162.02742	4.0
163.03993	1.1
166.02731	0.8
166.99849	2.1
179.03481	7.2
181.01395	6.4
182.02216	6.7
183.02954	4.1
196.03775	1.1
197.04543	56.7
198.04857	1.5
225.04080	3.1
239.05574	1.4
281.06680	0.9
285.06381	1.2
293.08817	3.1
302.81085	0.8
359.43387	0.8
481.17108	83.7
482.17456	8.2
484.15958	1.5
499.18246	89.8
500.18362	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	499.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83601	0.5
65.03959	44.3
69.03456	1.4
71.01706	1.1
77.87189	0.5
80.45046	0.5
93.03461	3.6
95.05012	2.2
97.79565	0.4
101.02419	0.6
103.05534	0.5
119.05035	3.4
121.06591	15.7
123.18880	0.4
139.04004	50.8
140.04358	1.1
165.05553	17.0
183.06607	100.0
184.06902	2.9
204.46080	0.5
259.91327	0.5
308.04623	0.5
313.47916	0.5
318.11884	0.5
423.09485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11889	0.5
59.01376	68.0
60.01704	1.0
61.98831	2.6
64.40093	0.5
65.90308	0.6
69.03451	2.0
69.19020	0.5
69.45171	4.0
70.84515	0.5
71.01379	3.5
73.02937	1.7
75.20033	0.5
79.01884	0.9
81.03434	0.8
83.01375	1.6
85.02940	1.6
89.02444	2.1
89.03011	0.6
93.18522	0.5
95.01384	2.3
97.02934	3.5
101.02445	2.4
107.01382	1.9
108.02242	0.9
113.02435	2.1
119.03490	0.9
123.00876	7.3
124.01655	22.6
125.02444	44.8
126.02785	0.7
129.47012	0.5
133.92082	0.6
135.04532	1.2
137.02431	1.7
149.99574	26.4
151.00357	8.1
161.02425	1.2
161.04532	1.3
167.03453	1.1
168.00633	53.5
169.01398	6.4
173.04509	0.8
179.03456	1.4
191.05553	0.8
238.05881	0.5
296.99991	0.5
313.05646	2.1
319.19147	0.6
332.14261	0.5
351.21561	0.7
353.08438	0.6
499.18179	100.0
500.18491	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	499.182
Annotation	Rolapitant
Peak:m/z	Relative Intensity
59.01373	11.3
61.10752	0.5
61.98814	0.6
69.03454	2.2
70.92943	0.7
70.93272	0.5
71.01382	0.6
73.02928	0.6
79.01894	0.6
81.03432	0.7
82.39152	0.4
83.01383	1.0
93.03427	0.5
95.01374	1.7
97.02943	2.0
101.02432	0.8
107.01372	2.2
109.02998	0.5
113.02447	0.9
123.00879	5.7
123.04453	0.5
124.01650	21.2
124.66565	0.4
125.02441	39.6
126.02802	1.0
135.04466	0.5
137.02408	1.9
149.99577	25.1
151.00369	8.9
161.02412	0.5
167.03519	0.9
168.00629	54.0
169.01343	4.8
173.04573	0.9
193.01436	0.5
217.60861	0.5
233.15482	0.5
313.05615	1.3
404.61383	0.5
438.91647	0.5
499.18185	100.0
500.18448	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	499.1954
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
50.59334	3.0
57.28689	3.6
59.01375	32.0
61.98822	10.9
69.54704	19.2
71.01376	23.0
73.02907	6.1
85.02943	8.4
87.00857	5.4
89.02445	26.7
93.03430	12.0
99.00837	4.8
99.04510	7.4
101.02436	16.7
108.02152	4.3
113.02406	7.8
119.03521	4.0
121.33511	3.1
133.02939	10.0
133.89012	3.3
135.04471	6.4
143.03468	7.7
149.04550	14.4
152.17204	3.6
161.02444	42.0
162.06392	3.7
179.03464	6.7
187.88937	4.5
191.03976	6.3
191.05582	70.3
212.76970	4.6
213.07684	3.7
227.98810	3.8
250.67383	3.3
367.97610	3.8
439.21637	13.5
463.21814	67.3
464.22141	7.6
481.17072	35.6
499.13028	4.5
499.19470	100.0
500.19821	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	499.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94206	1.5
55.01873	1.9
57.03447	3.8
58.00583	1.8
59.01374	42.4
61.46611	1.5
61.90477	1.5
61.98821	3.5
65.59606	1.4
69.03454	6.5
69.50047	6.9
69.50456	3.9
71.01376	24.3
72.99294	1.6
73.02934	7.3
73.84663	1.5
75.00841	2.3
78.91875	2.7
81.03486	3.3
83.01376	2.9
83.05037	2.3
85.02948	10.6
87.00873	2.0
87.04504	2.8
89.02431	8.1
93.07076	4.9
97.06609	1.9
98.69849	1.7
99.00842	2.2
99.08120	1.7
101.02419	13.6
107.05018	4.9
107.97156	1.7
109.06577	19.5
111.08152	5.3
113.02411	6.6
119.03497	2.7
121.03034	1.5
123.04523	2.4
123.08147	5.7
124.01650	2.4
125.02426	26.0
125.06046	4.9
126.96614	1.5
127.07639	23.2
135.08134	2.6
137.06076	18.2
139.11285	7.8
145.02974	2.4
151.11353	1.8
153.05565	100.0
153.09192	33.4
154.05876	1.9
155.07135	20.6
157.08670	3.7
161.04523	3.4
165.09196	4.8
166.44206	1.6
169.01416	37.5
179.07082	1.9
179.10724	1.8
182.26410	1.5
183.10239	62.4
184.10567	1.7
191.05589	2.3
197.11819	44.3
207.10263	3.5
225.11293	75.4
226.11652	2.1
255.12178	7.5
258.96671	1.6
285.13397	9.8
319.13831	2.6
494.64212	1.8
499.22577	69.9
500.21979	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	499.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73218	0.8
57.35256	0.9
58.99820	0.7
59.01375	100.0
60.01701	1.0
61.98829	5.4
65.88053	0.9
69.03450	1.4
69.31719	6.8
71.01379	19.0
71.01984	0.9
72.99313	1.9
73.02937	31.1
75.00872	1.0
80.65357	0.8
83.01381	9.5
85.02943	4.0
87.00877	1.3
88.98798	2.7
89.02431	7.5
93.03450	0.9
95.01380	1.9
97.02932	1.2
98.01238	0.8
101.02428	23.5
113.02429	9.8
119.03514	1.9
122.03767	1.4
124.01664	3.1
125.02438	8.8
131.03502	3.4
133.02960	1.0
135.04514	1.0
143.03494	1.9
149.04547	2.7
149.99562	2.9
151.00356	3.8
155.03499	1.1
161.02446	1.9
161.04532	5.7
165.44627	0.8
168.00638	6.6
169.01411	7.8
179.03462	0.9
187.13396	1.5
204.11684	0.8
243.71890	0.9
298.68762	0.8
314.08676	0.9
499.17841	11.7
499.23785	1.2
499.32471	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03442	0.7
59.01377	100.0
59.27153	0.5
61.98826	1.6
64.99067	0.4
70.53397	0.6
70.53750	1.5
71.01378	11.5
71.10565	0.5
73.02949	4.4
83.01402	1.9
85.02945	5.3
87.00893	0.8
87.04491	0.5
89.02460	2.0
91.44083	0.5
95.01389	0.8
99.00892	1.7
101.02443	9.5
113.02457	3.5
123.26293	0.5
125.02439	0.9
139.07664	3.9
141.09236	0.8
153.01372	0.6
159.03029	0.9
161.04533	4.3
197.48822	0.5
202.22534	0.5
203.05350	0.8
229.43576	0.5
233.15671	0.6
235.17180	1.8
277.06982	0.5
327.88068	0.7
331.19177	0.5
372.22113	0.5
379.21179	6.5
380.21606	0.6
397.22266	25.0
398.22845	1.9
439.23297	13.8
439.28711	0.8
440.23981	1.5
499.29468	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25653	1.1
53.01098	1.4
58.00605	1.8
59.01375	79.9
61.98833	3.0
69.06906	1.2
71.01379	8.9
73.02926	6.3
82.37246	1.1
85.02935	2.9
89.02440	2.6
90.32142	1.2
95.01396	1.3
101.02440	5.0
113.02443	9.5
119.03487	2.3
161.04543	3.4
182.00768	1.2
224.69246	1.1
229.70215	1.4
233.22923	1.1
249.11487	1.1
263.23468	1.1
271.66650	1.1
273.22220	4.3
277.21686	100.0
278.21951	5.8
291.23248	30.3
292.23843	1.7
301.21594	3.5
319.22766	7.4
331.22293	1.5
349.23691	1.6
437.30490	1.2
499.30234	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01376	78.4
60.01702	2.2
61.98827	100.0
67.02590	0.4
70.62344	0.4
71.01368	3.3
71.52280	0.5
71.52653	0.5
73.02950	1.5
75.26233	0.4
83.01379	0.6
84.19943	0.4
85.02940	1.8
89.02443	0.8
96.95997	0.7
99.00803	0.6
101.02434	2.3
113.02407	1.5
113.34819	0.4
118.91798	0.4
119.03474	0.8
125.02403	0.4
161.04434	1.4
203.05516	0.9
203.25417	0.4
249.68996	0.4
399.23383	0.7
501.30865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	82.4
70.36181	2.6
71.01381	2.2
72.99304	2.2
78.88751	0.7
79.17803	0.8
83.01291	1.0
85.02965	1.4
87.00870	2.2
90.74851	0.9
96.95985	6.5
98.86888	0.9
113.02457	1.5
132.98212	1.1
152.91725	0.8
156.75182	1.0
157.03569	4.0
158.66515	0.7
174.99236	22.1
201.02530	36.1
202.02708	2.0
217.00272	100.0
218.00584	2.1
232.87335	1.0
281.39380	1.0
293.97992	0.9
343.03662	2.3
359.01434	76.5
360.01791	6.5
501.14563	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	501.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	59.4
60.01704	0.9
61.98833	2.7
71.01373	6.3
71.52369	0.6
71.52727	0.5
72.99308	0.5
73.02933	3.6
74.89764	0.3
78.49184	0.4
78.91891	1.1
83.01380	1.2
85.02958	1.9
85.06587	1.6
87.00850	0.5
89.02450	2.5
93.03454	0.9
95.01385	0.6
101.02427	4.2
107.05101	0.4
113.02439	3.8
117.03468	1.3
119.05021	100.0
120.05334	2.8
121.02950	3.5
123.04478	0.7
123.08185	0.5
125.02436	1.0
131.03641	0.4
132.02162	3.9
133.02945	7.9
134.03728	5.7
135.04539	5.5
145.02911	2.3
147.04544	0.6
149.04507	0.6
149.06081	1.3
160.01645	20.7
161.02435	23.9
161.04561	1.7
162.02846	0.4
163.03998	46.1
164.04332	1.6
164.07098	0.8
167.07062	0.5
175.03987	24.2
177.05553	8.9
178.02710	0.6
179.03484	4.4
179.05075	0.5
179.05585	0.4
185.11763	0.6
191.05441	0.5
193.05011	4.5
200.65431	0.4
209.03233	0.4
216.95682	0.4
217.04880	0.6
221.04474	1.5
235.13356	0.6
251.05463	0.4
323.07669	23.9
324.07895	0.9
337.09247	25.2
338.09576	1.4
357.13260	0.6
397.22232	0.8
457.20532	1.8
461.14133	0.4
490.71399	0.5
501.13806	26.1
501.30493	0.7
502.14359	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
57.17826	0.3
59.01376	3.3
61.98805	0.9
69.75124	0.7
69.75525	0.6
69.88355	0.2
71.01371	1.9
72.20226	0.2
72.99290	0.2
73.02948	1.3
83.01370	0.9
85.02931	1.7
87.00871	0.4
89.02438	0.6
89.03949	0.3
98.19945	0.3
99.00858	0.5
101.02438	3.2
105.03469	0.6
106.26762	0.2
107.05035	0.4
109.02932	0.3
111.00883	0.3
113.02441	0.9
117.03445	1.2
121.02922	0.4
125.02430	0.3
132.02135	2.2
133.02950	32.1
134.03758	1.9
135.04515	17.9
136.04860	0.4
137.02449	0.6
139.03975	0.3
145.02934	0.7
151.03946	0.3
161.02429	100.0
162.02769	2.5
163.03984	0.6
178.02768	0.3
179.03482	9.6
191.05586	0.5
193.05290	0.4
193.07137	3.7
206.08191	0.5
279.12292	0.5
303.01306	0.3
339.12747	0.3
348.52512	0.3
501.16083	77.1
502.16452	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	501.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03351	1.3
53.92666	1.2
57.03447	1.7
58.00587	5.3
59.01378	100.0
69.03476	2.6
69.18679	9.8
69.19086	2.9
71.01376	34.6
71.05014	1.5
71.16956	1.4
72.99310	2.1
73.02943	15.5
75.00871	2.3
81.03454	2.4
83.01389	9.2
85.02934	8.4
87.00878	2.5
87.04471	1.8
89.02444	12.4
95.01376	1.9
96.96034	1.9
98.19910	2.3
99.00881	2.0
101.02443	18.0
107.05030	2.3
109.06591	11.1
113.02440	17.0
119.03472	3.9
122.03726	1.8
123.04482	1.5
125.02462	2.0
135.08229	1.7
135.11801	1.6
136.37044	1.4
137.09718	26.8
139.11317	2.4
141.12878	6.3
143.03403	1.7
143.69150	1.3
145.02963	3.0
149.04497	2.1
153.05566	73.8
154.05914	3.3
155.10785	8.1
161.04556	5.6
161.05881	1.6
165.12895	1.8
171.13898	21.8
179.05544	2.6
181.12352	2.5
185.11809	70.2
186.12160	2.1
191.05623	1.6
194.19078	1.4
197.11887	2.1
199.09787	2.0
199.13383	61.6
200.13763	1.6
209.11899	6.8
227.12869	73.2
228.13220	3.6
239.12889	3.3
257.13916	4.5
287.15048	5.8
357.13342	8.8
397.22269	3.8
465.10303	1.4
465.17444	3.1
477.40857	1.7
487.26672	1.5
501.23468	56.1
501.30682	2.8
502.23795	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	501.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55960	1.1
52.94374	1.1
59.01376	100.0
60.63011	1.1
63.51146	1.1
69.14158	12.8
71.01380	11.6
73.02941	9.8
76.45064	1.0
77.48080	1.1
83.01361	1.8
84.25291	1.1
84.88538	1.2
85.02936	3.3
89.02438	6.6
98.19852	2.5
101.00790	1.2
101.02449	9.8
113.02431	10.5
113.35719	1.2
119.03467	2.7
131.03525	1.3
161.04538	3.9
224.62560	1.3
313.77954	1.1
397.22278	2.7
415.23242	4.6
457.24371	2.0
481.44485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98824	2.6
70.02628	1.0
71.01378	21.9
72.99350	1.5
73.02940	18.1
82.43759	1.3
83.01385	3.9
85.02949	4.1
87.15021	1.3
89.02451	8.2
94.75196	1.2
95.01389	1.9
101.02435	16.6
113.02441	10.5
115.04859	1.3
117.64375	1.2
119.03477	2.3
131.03497	1.8
143.03484	1.8
149.04556	1.9
153.05589	1.7
161.04547	5.1
179.05412	2.1
185.11824	1.7
199.13501	1.3
225.06268	1.2
227.13020	1.6
333.32205	1.6
378.24731	1.4
397.22308	2.7
412.09909	1.4
415.23169	1.4
501.23526	2.0
503.12598	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01714	0.5
61.98829	2.0
70.78661	1.1
71.01376	0.6
73.02991	0.7
77.36414	0.5
87.88898	0.6
92.24274	0.6
100.37303	0.5
101.02478	0.5
113.02451	0.8
116.92864	1.1
129.53763	0.4
183.45544	0.5
226.94389	0.6
331.05481	0.6
381.22830	0.9
399.24194	2.2
441.25113	0.9
501.32574	1.0
511.13919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
58.34778	0.3
59.01376	100.0
60.01702	0.4
61.98822	1.2
71.01379	4.7
73.02944	2.2
83.01398	0.7
84.32200	0.4
85.02959	2.3
87.00885	0.4
89.02473	1.0
99.04471	0.3
101.02444	3.8
113.02455	2.7
119.03516	0.5
142.53052	0.3
161.04573	2.4
179.05615	0.4
203.05690	0.4
237.18398	0.6
279.17523	0.5
283.99374	0.3
381.22937	2.2
399.23877	7.3
399.28833	0.6
400.24088	0.6
437.30725	0.4
439.32260	0.7
441.24881	3.1
455.31665	2.2
469.33383	0.6
471.31763	0.4
501.32111	10.9
502.32687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.8
59.01375	100.0
60.01720	1.2
61.98825	2.3
66.06030	0.6
69.22239	6.0
71.01380	4.5
73.02934	3.1
83.01391	1.2
85.02973	1.3
88.52621	0.8
89.02460	1.5
98.19821	1.4
101.02438	4.8
113.02454	1.8
143.03531	0.6
161.04536	1.7
210.16409	0.6
223.56073	0.8
297.18658	0.8
399.23868	1.2
439.32288	0.9
449.78070	0.7
453.30060	0.8
501.32358	14.0
502.32620	0.8
521.25720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
69.61414	2.6
71.01389	2.3
73.02937	3.0
76.41730	0.5
85.02938	1.3
89.02452	1.1
91.22839	0.5
96.70245	0.5
98.19946	0.6
101.02419	4.2
113.02471	1.6
133.09793	0.5
148.62164	0.5
149.04689	0.6
161.04608	1.9
203.05661	0.6
399.23660	2.8
422.21902	0.5
441.24722	2.6
501.31516	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01708	0.8
61.98820	2.8
70.09953	0.4
71.01375	5.3
71.51733	0.6
73.02953	4.5
83.01402	1.9
85.02950	1.0
87.00877	0.4
89.02451	2.6
93.03446	0.7
97.02942	0.5
101.02438	4.5
110.55618	0.4
110.78802	0.4
113.02446	2.6
119.03603	0.9
119.05020	20.5
120.05365	1.0
124.61916	0.5
125.02425	0.7
127.04076	0.4
131.03473	0.6
132.02138	0.6
133.02946	1.9
134.03758	1.7
135.04532	1.3
143.03593	0.5
145.02974	1.0
149.04492	0.5
151.86760	0.5
160.01671	4.5
161.02425	5.2
161.04547	1.1
162.02888	0.6
163.04002	10.0
175.03993	5.1
176.04333	0.5
176.19400	0.5
177.05621	1.8
178.05061	0.5
179.03517	1.1
180.83197	0.5
185.11876	0.6
191.03496	1.8
193.05078	1.5
242.34392	0.5
259.89178	0.5
282.23184	0.5
297.07626	0.8
323.07681	5.8
337.09247	5.0
340.10080	0.6
352.64847	0.4
357.13654	0.5
415.23465	1.2
434.09012	0.4
501.14188	5.5
501.23422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73006	0.6
61.98820	1.4
70.24990	2.2
70.55200	0.6
98.20604	0.8
114.29134	0.7
147.08194	1.1
149.09705	23.9
163.11272	100.0
164.11548	2.1
206.49051	0.8
325.21683	29.0
326.21957	1.7
337.21689	13.7
501.33716	98.9
502.34055	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	501.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	11.3
59.01382	11.6
59.59074	2.1
61.98814	4.7
70.29738	4.7
70.30103	4.5
82.31514	2.2
83.04976	2.4
86.48225	2.1
98.20597	2.7
110.24593	2.4
110.79659	2.1
191.14392	2.8
266.04706	2.6
307.24176	5.4
367.53003	2.5
374.26245	3.0
391.30115	7.7
393.31546	5.3
435.29004	21.8
437.24725	4.4
437.30594	85.2
438.31094	4.0
439.32022	9.1
451.32446	4.0
457.32980	20.5
462.02472	2.6
467.31659	72.3
468.31845	3.3
469.33795	100.0
470.33521	10.4
470.39975	2.5
483.31186	16.4
484.31445	2.6
501.32272	51.4
501.69836	2.6
502.32108	4.8
513.32190	84.8
514.32422	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	502.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65506	0.2
56.44994	0.2
59.01371	1.0
59.38504	0.2
61.98826	100.0
65.43252	0.2
67.77003	0.2
71.01369	0.5
71.21591	0.4
76.79071	0.2
85.02952	0.4
89.02448	0.3
93.03447	0.3
101.02454	0.3
119.03548	0.3
123.83305	0.2
126.74281	0.2
132.70807	0.2
137.02452	0.7
150.31598	0.2
190.02736	0.2
191.05618	0.5
205.05011	0.3
251.84009	0.2
252.10994	0.2
314.07922	0.2
439.16235	0.7
502.16260	0.2
503.18488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73527	0.3
59.01366	1.3
61.98825	100.0
65.03938	0.3
69.48053	0.6
69.48466	1.1
71.01393	0.6
75.00864	0.7
78.95950	0.4
85.02934	0.6
86.34378	0.3
87.00865	0.5
89.02446	0.6
95.69611	0.3
96.95398	0.4
96.96001	3.8
96.96968	0.7
101.02458	0.8
108.02158	0.5
109.30843	0.3
111.00820	0.3
113.02468	0.7
119.05048	0.3
121.02979	0.4
131.03566	0.4
135.04576	0.7
139.04039	0.6
140.03563	0.3
145.02965	0.9
147.66757	0.3
149.02440	0.7
151.04092	0.3
154.40361	0.2
159.03018	0.7
161.02473	0.7
163.04021	0.6
173.79182	0.3
187.99582	0.3
191.05617	0.9
303.58286	0.3
357.10431	0.6
454.67206	0.3
502.16229	0.3
503.13623	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	502.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	29.1
60.01708	1.5
61.98826	100.0
65.23929	0.3
69.45974	0.4
69.46367	1.5
70.20392	0.2
71.01395	0.6
73.02966	0.4
83.01393	2.1
83.45700	0.3
88.70747	0.3
89.02466	0.4
101.02440	0.5
122.03745	0.4
123.04522	0.6
137.06110	0.6
173.06097	0.6
188.04759	0.5
189.05626	0.4
190.96669	1.3
206.05838	0.2
207.06593	0.5
217.08772	0.7
221.08200	0.4
395.03113	0.4
410.14047	0.5
421.16602	0.6
439.17557	10.1
440.18103	0.7
493.34744	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.83192	0.4
70.83535	0.8
120.87771	0.3
191.80037	0.3
363.29898	0.4
423.44714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
57.03445	1.3
59.01378	36.3
61.98541	1.4
61.98832	24.1
65.03959	33.3
68.99819	2.3
69.03443	8.7
71.01382	27.0
71.53040	2.5
72.99310	2.2
73.02934	5.0
75.00867	1.7
83.01392	3.4
85.02945	8.4
87.00858	2.1
89.02450	15.7
93.03454	5.2
95.05013	2.8
99.00875	3.8
99.92619	1.1
101.02442	16.8
106.04195	1.5
108.11890	1.1
111.00845	1.3
113.02429	10.1
116.92820	3.1
117.86479	1.2
119.03474	5.5
119.05027	4.8
121.06603	26.9
131.03481	1.5
132.02138	2.6
133.02951	1.6
134.03746	6.1
135.04535	1.7
137.06026	2.1
139.04010	52.2
140.04355	1.1
143.03426	1.9
145.02939	2.8
160.01624	10.6
161.02412	2.9
161.04544	4.5
163.07620	1.7
165.05565	29.3
175.03966	12.4
176.04497	1.3
179.05505	3.2
181.08792	1.2
183.05147	2.0
183.06627	27.2
187.84448	1.3
189.14781	1.2
190.02632	2.3
190.38271	1.1
191.05573	3.2
193.05009	8.7
205.05008	2.8
209.04488	11.4
212.08446	2.6
223.06221	1.2
227.05595	3.5
235.06172	2.4
252.90907	1.3
281.13776	2.7
300.37692	1.3
345.11859	40.3
346.12039	2.9
389.10873	100.0
390.11069	4.2
443.19290	7.0
503.17847	16.8
504.18350	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	503.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
58.74289	1.3
58.74587	1.0
59.01383	18.9
59.20844	1.0
61.98822	7.6
62.80399	1.3
65.03955	1.2
68.54426	1.1
69.03433	3.4
69.17323	2.2
69.17725	10.4
71.01050	1.6
71.01384	13.3
72.60174	1.2
72.99288	2.9
73.02929	5.7
75.00867	36.9
78.95899	3.8
79.95728	3.0
83.01361	1.8
84.37402	1.2
85.02936	4.8
87.00871	10.8
89.02438	9.9
93.03445	1.6
96.96004	79.6
96.96896	6.2
97.02924	4.8
98.20678	2.7
99.00865	3.0
101.02435	11.9
103.47681	1.2
105.01888	2.8
108.02161	1.4
111.00870	1.6
113.02458	7.3
115.04037	1.7
117.03432	9.3
118.98103	1.4
119.03493	5.7
119.05022	16.2
123.04473	2.3
129.01895	1.4
130.70462	1.3
131.03484	3.6
133.06564	3.4
135.04488	10.3
137.06061	1.5
139.04004	3.1
141.01958	2.7
145.02945	50.9
149.02440	1.3
149.06049	2.3
153.05481	1.8
159.02971	9.8
161.02405	9.2
161.04564	2.6
161.06044	7.3
163.04001	24.2
167.03601	1.3
177.04156	3.1
177.05499	6.9
179.03493	6.3
179.05576	3.8
183.06532	1.4
187.04045	1.8
191.05569	1.9
205.05052	11.8
209.04370	1.3
221.04498	3.4
221.06476	2.1
235.06061	4.0
251.05649	1.9
262.15176	1.1
265.07132	10.3
281.06622	3.1
281.13705	2.8
302.04385	1.3
318.56741	1.2
325.09097	2.9
341.08627	4.1
345.11542	1.3
357.10345	43.3
358.10938	1.9
367.10233	5.5
389.10794	5.0
437.10626	1.2
461.16205	1.7
467.12064	2.2
485.13257	4.0
503.13913	100.0
504.14444	10.5
525.15741	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	503.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16312	0.4
56.43354	0.4
59.01072	0.6
59.01376	11.6
61.98816	1.5
65.03950	1.4
70.56097	0.9
71.01376	7.6
72.99319	0.5
73.02935	1.3
75.00872	0.6
78.95892	0.4
79.26781	0.4
83.01355	0.6
85.02927	1.6
87.00865	2.2
89.02437	5.5
95.01365	0.4
96.96010	6.1
96.96964	1.0
97.02891	0.6
99.00877	0.8
101.02422	4.4
105.01929	0.5
105.03528	0.4
108.02182	0.6
109.02879	0.4
112.58772	0.4
113.02453	2.4
117.03434	0.6
119.03497	2.4
119.04993	1.2
121.06564	0.6
131.03450	0.6
132.02173	1.5
133.02945	24.8
134.03734	0.8
135.04512	25.6
136.04836	0.7
137.02415	0.8
137.06082	0.8
139.04028	2.2
143.03477	0.6
149.06065	1.4
159.02983	1.2
161.02428	100.0
162.02780	3.3
163.03944	0.8
165.05542	0.9
177.05527	3.1
179.03476	22.7
179.05553	2.4
180.03807	0.8
183.06613	3.6
203.03474	0.8
221.04532	3.4
251.05583	1.7
263.12930	0.4
281.06619	3.1
281.09937	0.6
323.07736	1.4
326.47614	0.4
341.08667	10.5
357.10016	0.4
383.09811	0.5
413.10898	0.6
443.11877	2.7
443.18558	0.6
474.46521	0.4
503.14001	76.4
504.14279	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	503.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16312	0.4
56.43354	0.4
59.01072	0.6
59.01376	11.6
61.98816	1.5
65.03950	1.4
70.56097	0.9
71.01376	7.6
72.99319	0.5
73.02935	1.3
75.00872	0.6
78.95892	0.4
79.26781	0.4
83.01355	0.6
85.02927	1.6
87.00865	2.2
89.02437	5.5
95.01365	0.4
96.96010	6.1
96.96964	1.0
97.02891	0.6
99.00877	0.8
101.02422	4.4
105.01929	0.5
105.03528	0.4
108.02182	0.6
109.02879	0.4
112.58772	0.4
113.02453	2.4
117.03434	0.6
119.03497	2.4
119.04993	1.2
121.06564	0.6
131.03450	0.6
132.02173	1.5
133.02945	24.8
134.03734	0.8
135.04512	25.6
136.04836	0.7
137.02415	0.8
137.06082	0.8
139.04028	2.2
143.03477	0.6
149.06065	1.4
159.02983	1.2
161.02428	100.0
162.02780	3.3
163.03944	0.8
165.05542	0.9
177.05527	3.1
179.03476	22.7
179.05553	2.4
180.03807	0.8
183.06613	3.6
203.03474	0.8
221.04532	3.4
251.05583	1.7
263.12930	0.4
281.06619	3.1
281.09937	0.6
323.07736	1.4
326.47614	0.4
341.08667	10.5
357.10016	0.4
383.09811	0.5
413.10898	0.6
443.11877	2.7
443.18558	0.6
474.46521	0.4
503.14001	76.4
504.14279	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	503.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30250	0.6
51.77467	0.5
57.03443	0.8
59.01366	4.9
61.98827	2.9
68.99829	2.9
69.03449	1.6
71.01379	5.4
73.02924	1.5
75.00863	0.9
76.60040	0.5
83.01389	1.1
85.02951	5.0
87.00887	1.8
89.02419	1.1
91.25237	0.6
95.01383	1.1
95.57613	0.6
97.02930	0.9
99.00876	2.8
99.04523	3.5
101.02422	2.6
103.66570	0.7
111.00839	1.3
111.25280	0.6
113.02451	4.6
113.99581	9.7
115.00360	6.1
117.03447	2.4
119.05054	0.8
127.00364	1.7
129.01936	1.2
139.11290	1.8
145.02942	14.7
157.01425	1.0
157.08757	0.6
158.71315	0.6
161.04570	0.9
163.03976	1.9
165.09238	0.6
170.01401	0.6
174.01675	12.9
175.02403	1.8
175.78314	0.5
183.10269	8.4
191.05527	0.8
203.02118	0.6
277.05707	3.1
319.13898	1.2
342.71924	0.7
443.15668	5.9
467.19189	13.1
468.19611	1.2
503.17673	100.0
504.18033	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	503.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	58.0
61.98825	7.5
65.03958	13.9
66.53075	1.1
69.03452	6.8
69.62161	4.2
69.62569	2.3
71.01384	15.5
71.63831	1.0
72.99355	1.1
73.02934	2.9
75.00871	3.0
85.02934	6.8
87.00845	1.5
87.04514	6.8
89.02432	5.8
93.03438	3.2
95.01408	1.4
95.05032	5.0
99.00854	2.4
101.02431	10.6
107.05035	1.4
108.02189	1.3
111.00806	1.1
111.04534	2.9
113.02438	6.8
115.04016	1.5
116.92824	1.2
119.03502	2.1
119.05005	2.1
121.06592	10.6
122.03778	1.0
123.04540	6.1
131.03506	16.0
133.02922	1.9
134.03712	3.1
135.04500	1.4
137.06134	1.3
139.04004	22.4
139.07661	1.4
149.06013	1.6
159.08145	3.3
160.01659	1.4
161.02466	3.7
161.04544	2.6
161.09686	8.4
162.06839	11.7
163.11166	1.2
165.05554	11.3
173.09761	1.5
175.04013	2.7
176.04694	1.1
176.08340	1.6
177.09192	28.7
179.05717	2.3
183.06622	11.7
187.07590	3.0
189.09198	1.7
191.07153	1.4
193.05084	4.0
199.11235	2.1
201.09183	1.4
203.10742	1.7
205.08673	13.5
205.12340	1.3
209.04543	3.4
212.08406	1.5
213.09145	2.9
217.12471	1.4
227.10754	3.8
230.09447	19.8
233.06522	2.2
235.06197	1.9
240.48030	1.0
245.11777	16.2
263.12854	100.0
264.13208	5.0
281.13864	3.5
293.08679	2.3
298.58984	1.1
327.08990	1.1
345.11896	15.1
387.16345	1.2
389.10880	23.0
390.11160	1.7
443.19174	1.2
459.15201	5.8
503.13736	21.4
504.14078	1.7
523.95728	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
62.72829	0.6
65.03960	45.8
69.03456	1.4
70.78711	1.5
71.01382	0.9
89.02470	0.8
93.03449	3.6
95.05006	2.2
96.95981	1.1
96.99015	0.5
101.02425	1.6
119.05022	3.5
121.06590	16.5
139.04012	54.2
140.04356	1.8
162.79494	0.6
165.05568	16.0
179.05602	1.2
183.06621	100.0
184.06972	3.5
249.58560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
55.30833	0.8
57.65912	0.8
58.59470	1.0
59.01376	100.0
60.01688	1.1
61.79743	0.8
63.41447	0.9
69.23149	1.7
69.23563	5.9
71.01377	11.3
73.02937	3.3
75.20152	0.8
78.06886	0.9
80.91674	2.4
83.01374	1.9
85.02924	5.2
87.04503	1.0
89.02469	1.8
89.37482	0.8
101.02424	5.7
113.02449	8.6
119.03479	1.0
150.60190	0.8
161.04533	4.0
223.95792	1.1
229.87721	0.9
255.19534	1.2
399.23810	16.8
400.24292	1.5
417.24988	5.8
459.26230	2.5
503.33542	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	503.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02129	1.1
54.21175	1.0
57.03437	1.7
59.01375	100.0
59.70835	1.1
60.01716	1.7
61.01786	1.6
61.98798	2.0
65.70827	1.0
69.03439	1.5
71.01375	30.3
72.99300	1.2
73.02942	28.2
83.01377	8.5
85.02949	6.1
87.00832	1.5
89.02431	7.9
95.01369	1.4
95.62147	1.2
97.02930	2.4
98.19920	2.1
99.00888	1.8
101.01800	1.8
101.02437	28.8
107.95888	1.3
113.02434	15.3
114.93606	1.0
119.03495	2.5
121.02942	1.5
125.02428	2.8
131.03462	3.1
135.04492	1.4
137.02405	3.4
143.03477	2.6
149.04507	3.4
150.03183	1.7
161.02388	3.4
161.04550	9.7
179.03465	1.2
179.05623	1.3
188.07683	1.0
199.06261	1.2
226.07437	2.4
228.10271	2.2
239.08047	1.4
241.33286	1.4
255.11356	6.7
282.85394	1.1
299.10263	5.1
371.20724	2.3
399.23535	1.6
459.17786	1.6
460.18234	1.5
488.14926	1.4
503.16620	10.3
503.24863	9.4
503.33221	6.9
504.16519	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	503.2648
Annotation	Striatin A
Peak:m/z	Relative Intensity
55.01875	2.0
57.03440	1.7
58.00590	2.0
59.01376	100.0
60.01722	0.6
61.98829	2.4
63.11673	0.4
63.20306	0.4
68.94093	0.4
69.03462	1.0
69.21671	4.0
71.01377	52.0
72.01717	0.5
72.99306	3.5
73.02942	39.0
73.89166	0.4
75.00877	0.6
76.15357	0.5
81.35377	0.5
83.01382	11.7
84.60373	0.4
85.02946	11.0
87.00880	3.5
89.02439	27.7
95.01404	2.5
97.02954	1.4
99.00872	2.6
99.04568	0.5
101.02438	47.0
102.02772	0.8
113.02443	21.6
119.03496	15.3
125.02452	1.6
131.03487	3.1
140.81596	0.5
141.09232	1.6
143.03468	4.1
149.04529	3.5
155.03474	0.5
160.31790	0.4
161.04547	6.4
164.81078	0.4
171.69421	0.4
179.05589	5.3
184.15227	0.5
203.05699	0.5
221.06659	0.5
265.15747	0.7
266.16791	0.8
267.17410	0.6
281.19086	37.0
282.19498	2.7
283.17706	0.6
283.20551	2.6
299.20132	28.4
300.20572	2.3
338.52911	0.5
383.22275	1.8
443.24350	69.3
444.24603	5.5
461.25436	34.9
462.25760	3.3
469.34052	0.5
503.26462	13.5
503.33722	11.0
504.26898	1.5
504.33850	0.7
508.20578	0.5
528.33063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3392
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
57.03444	1.7
59.01374	23.3
60.01694	0.7
60.99306	0.2
61.01801	0.4
61.98828	6.0
71.01367	2.1
71.05004	0.8
71.52748	0.4
73.02941	4.7
78.63960	0.2
81.03458	0.3
83.01366	0.3
83.05027	0.4
85.02922	0.7
87.00867	0.5
89.02430	0.7
94.57539	0.3
99.00836	0.3
99.88533	0.2
101.02428	1.0
101.20580	0.2
113.02429	0.9
121.02927	0.3
121.06538	0.3
121.88198	0.2
128.02733	0.3
139.07634	0.3
145.04958	0.3
147.64796	0.2
159.04332	0.2
190.97797	0.3
191.05551	0.5
221.30954	0.2
250.03090	0.2
299.20172	1.5
304.14447	0.3
367.26480	0.3
377.28403	0.5
379.30066	0.4
389.28455	0.9
391.30157	0.4
392.27267	0.8
393.27396	0.3
407.29492	4.2
408.29764	0.3
409.31107	0.7
419.29199	0.5
421.30991	1.0
423.28833	0.4
435.29169	0.5
439.32236	1.5
443.31497	1.1
453.30017	4.5
454.30185	0.3
455.28006	0.4
459.34732	0.3
471.31049	0.3
485.32672	32.6
486.32990	3.4
503.33731	100.0
504.34067	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	503.3377
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
56.34711	0.5
58.00579	0.7
59.01378	2.4
60.99305	0.5
61.98822	1.2
62.11009	0.4
70.99480	0.4
97.06566	1.6
102.00247	0.5
111.61401	0.5
210.35486	0.5
224.81084	0.5
274.05835	0.5
387.30634	0.7
389.28287	2.4
406.28708	4.5
407.29208	1.3
409.31467	0.7
421.31158	2.9
423.32700	8.4
424.32938	0.6
441.33408	1.4
455.31461	0.8
457.33621	0.5
459.34549	1.8
467.31717	1.1
469.33188	100.0
470.33514	11.0
485.32639	4.8
503.33813	19.5
504.34525	2.7
513.32397	1.3
529.30469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.5
59.01366	0.6
61.98822	0.7
68.72601	0.5
71.01393	0.5
75.48275	0.5
77.26202	0.4
83.92083	0.4
97.06584	1.3
98.19875	1.1
177.29324	0.4
216.08751	0.5
363.03296	0.5
387.30569	0.9
389.28400	2.0
406.28745	6.0
407.29309	1.5
410.48947	0.5
421.31204	2.5
423.32733	6.9
424.32718	0.8
425.30209	0.5
467.31680	0.9
469.33170	100.0
470.33514	9.9
485.32578	0.6
492.01334	0.5
503.33731	12.1
504.33646	1.0
513.32147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83736	0.4
56.38767	0.3
56.74375	0.3
56.78851	0.3
59.01375	20.7
60.01706	1.8
61.01807	0.3
61.98825	100.0
71.05579	0.6
90.97118	0.3
101.67090	0.3
108.62404	0.3
110.11410	0.3
132.98293	0.3
158.03752	0.4
169.36263	0.3
174.99251	5.2
175.99530	0.9
177.96718	0.7
178.98468	0.5
201.02498	2.6
202.02716	2.8
202.98784	0.7
203.02257	3.3
203.99980	6.6
204.02797	0.6
217.00276	19.0
218.00598	5.3
219.00633	1.3
219.97734	56.8
220.97765	0.5
220.99577	1.2
346.01047	1.0
359.01431	1.7
360.01663	6.9
361.01334	6.4
361.98672	27.9
362.98944	2.4
488.16470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.2
59.01376	3.6
60.33035	0.2
61.98826	100.0
71.01384	1.1
71.52219	0.2
73.02918	0.4
75.55699	0.2
76.26530	0.2
79.48153	0.2
83.59507	0.2
84.76765	0.2
85.02950	0.6
89.02412	0.5
91.11201	0.2
95.44156	0.2
101.02438	0.7
111.82389	0.2
113.02444	0.5
122.06126	0.4
134.62921	0.2
135.04561	1.0
151.04031	0.3
152.07182	0.6
153.05603	0.8
154.05954	0.3
161.02495	0.3
163.03998	6.4
171.14030	0.3
172.85133	0.2
178.06342	6.9
179.06686	0.3
187.13399	1.3
188.13741	0.4
193.08673	12.7
194.09090	0.4
201.14899	1.5
202.15352	0.7
229.14453	0.6
233.18550	0.2
270.16046	0.2
291.83618	0.2
295.11057	0.2
330.01724	0.2
358.13873	0.3
460.18954	0.9
503.32590	0.2
504.17825	0.5
504.25403	0.4
504.33243	0.4
505.26514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0986
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
59.01375	1.9
61.98833	0.9
63.02402	0.6
64.92258	0.2
65.00320	1.1
69.38097	0.2
71.01376	1.0
73.02955	0.6
81.13866	0.2
83.01395	0.9
89.02427	1.8
91.01893	0.4
93.03477	0.3
99.00867	0.5
101.02443	0.6
101.76737	0.2
107.01382	2.9
107.79129	0.2
108.02154	1.5
109.02966	1.3
113.02464	0.3
117.03458	0.7
119.01385	0.3
119.05003	0.3
121.02946	1.8
125.02437	0.5
130.97632	0.2
131.03453	0.3
133.02925	0.5
135.00877	1.1
135.04478	0.4
137.02335	0.3
139.03999	0.3
145.02950	3.7
146.03320	0.3
146.35815	0.3
147.00873	0.3
148.01666	1.7
149.02480	0.3
149.04559	1.0
151.00352	10.6
152.01102	0.3
159.04433	0.5
161.02466	1.1
162.40575	0.3
163.00371	2.9
163.04034	1.0
164.01181	0.9
169.01500	0.3
175.04012	0.3
178.99854	4.9
179.03499	0.4
180.00136	0.3
183.04512	0.5
185.06055	0.3
187.04036	0.7
190.99852	0.5
192.00600	0.4
199.03947	1.0
201.01776	0.4
201.05557	0.5
203.03551	0.5
211.03937	1.5
213.01898	0.3
215.03510	0.9
216.04288	0.6
226.02708	1.8
227.03462	3.8
228.04138	0.4
229.01326	0.5
229.05020	0.8
243.02962	12.9
244.03474	0.8
245.04482	1.4
254.02174	2.9
255.02960	28.2
256.03326	1.4
271.02451	65.1
272.02948	5.4
273.03998	1.1
283.02493	1.4
299.01904	1.5
300.02713	100.0
301.03448	41.5
302.03879	2.0
343.04489	0.5
410.05865	0.2
445.07535	0.3
461.16397	0.3
463.08707	3.0
464.09113	0.3
467.19199	2.8
469.20029	0.4
505.09821	74.2
506.10223	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	505.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01112	0.9
59.01379	14.9
61.98828	3.3
65.03962	27.5
68.99822	2.2
69.03455	5.4
70.98679	0.9
70.98989	0.8
71.01379	19.9
72.99301	5.6
73.02971	3.1
75.00882	0.6
83.01388	2.1
83.62347	0.6
85.02937	5.1
87.00885	1.3
88.98803	0.7
89.02439	7.2
93.03455	4.4
95.01376	1.0
95.05012	3.3
99.00880	3.2
101.02438	8.3
101.71827	0.6
103.05505	1.2
106.04243	1.6
109.02924	0.9
111.00883	1.0
113.02441	6.4
115.00363	2.9
119.03493	2.2
119.05005	3.3
120.05331	0.7
121.02980	1.3
121.06589	19.0
122.06948	0.6
133.01453	0.7
133.02939	0.8
133.05046	1.4
135.04529	1.8
137.02451	0.6
137.06097	1.7
139.04002	44.8
139.07654	0.9
140.04288	0.6
143.03572	0.7
149.02498	0.6
157.01474	1.5
161.02443	3.6
161.04550	1.8
163.03995	1.1
163.07637	1.3
165.05557	24.9
170.31499	0.7
179.03537	0.8
179.05571	1.2
181.05028	3.1
183.06616	20.9
184.06998	0.9
191.05629	2.9
197.94687	0.5
207.06679	0.9
209.04564	7.6
217.03500	1.3
223.06154	1.7
225.07727	0.8
227.05573	1.9
235.09795	0.7
295.06451	0.9
343.10135	1.0
345.11862	28.5
346.12195	1.2
385.11557	1.0
388.23828	0.8
388.62845	0.6
389.10867	100.0
390.11206	6.6
413.36801	0.6
438.28156	0.6
443.12231	1.1
487.10797	4.0
505.11414	12.9
506.12164	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50343	0.7
55.01887	1.4
59.01110	1.0
59.01379	10.5
65.03957	24.3
68.99812	1.4
69.02626	0.6
69.03447	6.0
69.72001	2.1
69.72392	1.1
70.68343	0.7
71.01376	25.7
73.02943	2.9
77.53545	0.8
83.01379	1.3
85.02940	4.4
86.70310	0.7
89.02441	4.7
93.03458	4.1
95.01369	0.9
95.05036	2.3
99.00881	2.1
101.02425	7.6
103.05542	0.7
103.40662	0.6
106.04239	1.2
106.94314	0.7
107.05003	1.1
113.02447	5.0
115.00359	8.9
119.03512	1.6
119.05011	2.8
121.06589	18.9
137.06084	1.2
139.04002	40.1
139.07581	1.1
140.04350	1.2
147.04543	1.4
161.04611	0.7
163.06113	3.5
163.07472	1.1
165.04161	1.5
165.05548	22.8
181.05032	0.7
183.06606	25.2
184.06923	1.0
191.05637	1.3
209.04515	8.2
227.05594	2.6
237.05313	0.9
249.06067	1.1
290.56812	0.7
324.04132	0.9
345.11880	26.3
346.12085	1.7
389.10864	100.0
390.11139	6.2
424.35986	0.7
474.03415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03736	0.7
52.45966	0.6
59.01377	10.8
62.57498	0.7
65.03961	22.5
68.99817	1.5
69.03455	4.6
69.65143	3.5
71.01377	24.3
73.02931	2.2
73.63351	0.7
79.05458	0.7
83.01403	1.2
85.02943	4.2
89.02443	4.2
93.03447	4.3
95.01386	0.8
95.05017	2.3
98.20604	1.5
99.00863	2.1
100.90002	0.7
101.02437	5.6
103.05592	1.1
106.04237	1.6
107.05008	0.8
111.00837	0.7
113.02451	4.6
115.00368	10.2
119.03484	2.2
119.04996	2.5
121.06589	15.3
139.04008	38.6
140.04346	1.5
161.04620	0.9
163.07651	1.0
165.05557	20.1
182.72729	0.7
183.06613	23.1
207.06645	1.0
209.04568	7.4
225.07562	0.8
227.05580	2.1
329.08652	0.9
340.63599	0.7
345.11856	27.9
346.11984	1.0
389.10858	100.0
390.11230	4.1
390.21564	0.8
505.12064	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1502
Annotation	Pannellin
Peak:m/z	Relative Intensity
56.46929	0.5
59.01379	19.2
61.48206	0.4
61.98824	3.4
69.14092	5.0
71.01373	5.8
73.02939	1.7
83.01385	1.2
83.66119	0.4
85.02948	3.3
89.02445	2.0
92.99892	0.5
95.01366	0.8
97.02977	0.7
99.00885	0.7
101.02440	4.9
104.20590	0.4
109.02959	1.0
113.01727	0.5
113.02452	2.1
121.02947	3.1
135.04453	0.7
136.01653	0.5
136.05304	1.4
137.06113	0.8
159.04453	1.0
160.05295	5.6
161.04507	0.6
168.04257	0.6
180.95467	0.6
184.05177	0.5
200.04761	1.5
204.04128	0.6
211.03938	1.7
212.04872	0.8
213.05659	0.6
225.05490	0.7
226.02774	1.3
227.03471	7.5
228.04219	2.2
239.03444	1.6
240.04254	0.8
241.01353	0.8
243.03084	0.7
255.03018	2.4
256.03683	7.1
257.04404	1.1
268.03763	1.4
269.04449	1.1
270.01678	10.4
270.05298	3.8
271.02286	0.7
271.05908	1.5
271.20682	1.4
281.04538	1.4
282.05200	0.6
283.06097	2.0
283.20618	1.0
288.02768	1.0
293.04462	2.1
294.05322	1.8
295.02548	1.3
295.05997	1.5
301.21692	15.6
302.04294	4.6
302.21896	0.6
307.05859	0.9
309.04031	2.5
309.07651	3.2
311.05463	1.0
321.04013	0.6
325.07129	0.6
327.05203	0.9
333.90805	0.6
339.04987	3.3
343.28381	3.7
353.06586	3.9
363.39407	0.5
431.11237	4.2
445.25931	14.5
445.32004	0.9
446.13684	1.4
447.10754	0.6
461.12021	1.2
463.26944	11.8
475.10196	2.1
489.12048	1.5
490.05542	1.2
490.12643	19.4
491.13187	1.3
504.34140	1.7
505.15024	100.0
505.34039	20.3
506.15244	7.4
506.33554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13505	0.9
59.01377	25.5
60.99306	1.5
61.98827	16.3
65.03960	42.4
65.41944	1.2
68.99819	3.5
69.03448	10.2
69.61524	6.6
71.01378	28.9
72.99310	2.4
73.02944	4.7
75.00857	3.9
83.01385	2.7
85.02941	8.5
87.00872	10.0
87.04565	1.2
88.98797	14.1
89.02441	48.6
93.03453	8.9
95.05019	5.7
96.96017	2.9
98.95561	1.7
99.00885	5.1
101.02451	10.0
103.05547	1.4
106.04250	2.4
107.04992	1.6
108.02167	1.6
109.02904	3.5
109.06546	1.2
113.02460	8.9
115.00356	1.4
119.03499	2.8
119.05069	5.1
121.02921	1.8
121.06596	24.7
131.03497	1.5
133.05064	100.0
135.04552	1.9
137.06018	1.8
139.04007	70.7
139.07603	1.3
140.04382	1.7
147.04501	1.5
149.02457	4.1
161.02371	1.7
161.04553	2.0
163.07649	2.2
165.05563	33.4
170.14694	1.1
183.06596	32.6
184.06941	2.2
192.28989	1.0
195.06593	2.3
209.04536	27.8
225.07651	1.4
226.06268	1.5
227.05511	3.1
227.07375	2.0
249.06070	1.2
255.10214	11.5
295.59790	1.0
327.10867	16.1
345.11865	28.7
350.56555	1.1
371.09796	26.5
389.10883	60.2
390.11270	3.3
417.13864	4.7
461.12683	16.9
505.15195	29.3
506.15689	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	505.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	1.8
59.01382	20.1
61.98829	6.4
63.92795	1.3
65.03960	34.1
66.04276	1.7
68.99821	4.5
69.03456	9.1
69.20739	9.5
71.01379	26.7
72.01711	1.2
73.02942	3.7
78.98584	1.2
83.01360	1.4
85.02962	7.7
87.00872	12.1
87.04499	1.9
88.98815	2.7
89.02445	41.7
93.03455	7.2
94.85197	1.2
95.05032	4.4
99.00871	4.0
101.02423	9.2
103.05502	1.4
106.04255	1.9
109.51698	1.2
111.00858	1.4
113.02409	5.6
113.21960	1.5
119.05019	4.1
121.02909	1.4
121.06594	22.2
129.06635	1.2
133.05061	100.0
134.05351	1.5
135.04512	2.2
137.06029	2.7
137.70868	1.2
139.04002	56.4
139.07603	1.7
140.04370	1.9
161.02400	1.8
161.04515	2.1
163.07631	1.2
165.05560	29.5
179.03468	1.4
183.06631	25.7
191.05501	1.3
209.04546	25.0
209.31459	1.3
218.29796	1.2
223.00293	1.1
227.05566	4.6
233.22185	1.1
257.39349	1.5
272.18448	1.3
327.10760	11.5
345.11871	23.5
371.09818	23.7
389.10870	57.8
390.11130	3.2
417.13867	3.8
461.12308	12.6
505.15634	34.2
506.15778	2.7
514.39813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22124	0.1
55.01877	0.2
55.36889	0.1
57.03435	0.8
57.99274	0.1
58.00615	0.1
59.01374	2.1
61.98822	0.7
69.03445	0.4
69.19637	0.3
69.20058	1.0
69.44666	0.1
71.01368	1.5
72.99313	0.1
73.02954	0.5
75.00874	0.1
81.03461	0.5
81.56371	0.1
83.01400	0.8
85.02941	1.2
87.00869	0.2
87.04520	0.2
88.98847	0.2
89.03968	2.0
93.03472	0.2
93.65110	0.1
95.01373	0.2
97.02944	0.2
98.19874	0.3
99.00883	0.3
101.02473	0.9
104.02685	0.5
105.03454	3.7
109.02926	0.3
112.01675	0.2
113.02425	0.9
121.02955	0.4
123.08163	0.2
125.02480	0.4
133.02948	8.7
134.03273	0.2
135.04520	0.3
136.01649	0.4
137.02417	0.4
139.11293	0.1
139.51698	0.1
141.12872	0.4
143.03461	0.2
148.01604	0.4
149.02400	1.0
150.03189	0.2
151.04005	0.5
153.09242	0.2
153.20837	0.1
161.02490	0.3
161.04550	0.1
165.05544	0.2
171.13895	0.5
176.01123	1.3
177.01915	100.0
178.02252	3.2
183.10294	0.4
187.13470	0.3
201.14983	0.4
238.06323	0.2
241.05122	0.2
257.98447	0.1
269.04562	0.5
269.07977	0.2
284.06952	0.3
298.08350	0.2
299.09122	0.3
313.10690	0.2
313.23117	0.1
315.25415	0.2
323.09235	0.3
359.28329	0.3
361.29626	1.3
445.16226	0.2
457.31384	0.2
461.23782	0.7
475.12823	0.2
475.18283	0.3
490.16342	0.4
505.17358	18.5
505.33640	7.9
506.17712	1.9
506.33990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1861
Annotation	Methylrocaglate
Peak:m/z	Relative Intensity
52.82155	0.3
53.11914	0.3
55.01873	0.7
57.03432	0.3
59.01379	18.3
60.01694	0.4
61.98821	0.5
65.53950	0.3
69.05737	0.3
69.13988	1.1
69.14407	2.7
71.01385	2.4
73.02927	0.6
78.62774	0.3
83.01388	5.2
85.02946	1.0
89.02447	0.7
92.43819	0.3
93.03438	1.1
93.10176	0.3
99.00881	0.4
101.02463	1.7
108.02172	1.0
109.02972	2.2
113.02450	0.6
113.41801	0.3
121.02953	7.8
122.03746	1.3
123.00897	0.6
123.04506	1.4
124.01740	0.3
133.02934	0.4
134.03757	0.6
135.04506	1.5
136.01656	10.4
136.05264	0.6
137.02435	4.4
145.02919	0.5
146.03752	0.6
147.04488	0.5
151.03998	11.0
159.04477	1.1
160.05315	0.6
161.02438	0.7
161.04579	0.5
161.06029	0.9
162.03162	0.4
163.00389	0.4
163.03995	2.5
171.04482	0.6
172.05284	0.7
173.06004	1.6
175.04005	0.8
177.05502	0.9
179.03371	0.4
185.06049	0.9
187.04033	1.0
188.04866	0.4
189.05527	1.6
190.06360	0.6
194.02046	0.4
197.06052	1.1
199.04039	0.5
199.07657	0.3
201.05548	1.1
203.07091	0.4
209.06097	0.9
211.03967	0.8
212.04816	1.3
213.05588	1.1
219.80428	0.4
221.08211	0.4
223.04044	0.4
225.05565	2.1
226.06323	0.8
227.07167	0.9
228.04257	0.4
237.05571	1.2
237.22038	0.4
238.06128	0.4
239.03564	0.8
239.07021	0.5
240.04237	3.1
241.05040	4.9
241.08653	0.4
242.05739	0.8
250.06427	0.3
251.03540	0.6
251.07132	0.5
253.05013	1.2
254.05898	2.2
255.06599	7.0
256.07187	0.9
257.08160	0.5
263.07089	0.5
265.05292	0.4
265.08551	0.5
266.05859	0.4
267.06601	1.5
267.10202	0.5
268.03717	1.5
268.07474	0.9
269.04517	11.4
269.08066	2.7
270.05264	1.3
270.08951	3.6
271.09552	0.4
275.07217	0.4
277.08609	0.4
278.05917	0.4
279.06543	0.9
280.07339	0.5
281.08093	0.8
281.21356	0.5
283.06073	1.6
283.09778	1.2
284.06885	8.7
285.07599	2.6
285.11325	1.5
285.37238	0.4
286.04880	0.4
290.06033	0.7
291.06589	0.9
292.07669	0.6
293.08102	1.6
294.05566	0.4
294.08884	0.9
295.06131	1.4
295.09717	3.0
296.06793	0.6
297.07877	0.6
298.08414	2.2
299.09216	8.2
303.06729	0.4
305.08307	0.6
306.08939	0.4
307.06250	0.7
307.09540	0.7
309.07721	1.5
309.11111	0.6
310.08115	0.5
311.09338	0.5
313.10815	2.4
316.09320	0.5
317.25931	0.4
321.07587	1.2
321.11133	0.4
323.09232	3.3
324.09918	1.6
325.10632	0.6
338.11557	0.6
339.08633	0.9
339.12378	2.6
354.11139	1.0
369.13480	0.5
399.08661	0.7
400.09521	0.7
410.11533	0.4
412.09622	0.6
415.11481	2.3
427.11823	3.3
429.13443	0.9
430.14651	1.9
431.14957	0.7
442.14093	1.4
444.15894	0.8
445.11884	1.0
445.16626	2.5
445.31598	0.9
447.14282	0.7
449.66846	0.4
457.16721	3.3
458.17038	0.4
460.10965	0.7
469.18625	3.3
475.18390	26.7
476.18832	1.8
490.09412	0.7
490.16324	9.9
491.16675	0.6
502.79459	0.4
505.18658	100.0
505.34003	3.3
506.18945	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	505.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
57.03441	0.7
59.01374	3.7
61.98822	3.2
66.64514	0.3
68.99806	3.0
69.03445	0.9
70.14129	0.3
71.01382	4.2
71.52461	0.4
72.99272	0.5
73.02942	1.2
75.00867	1.2
81.03461	0.4
81.28925	0.3
83.01388	1.6
83.17945	0.3
85.02943	4.2
85.91054	0.4
87.00882	2.0
89.02444	2.3
93.40672	0.2
93.86716	0.3
95.01377	1.1
96.99257	0.4
97.02951	0.9
99.00879	4.1
101.02441	2.4
107.01360	0.6
108.02184	0.4
109.02946	0.5
111.00880	1.5
112.98806	0.7
113.02453	3.5
113.99580	11.3
115.00375	5.4
125.02417	0.8
127.00365	2.2
129.01923	1.8
131.03525	0.5
133.01428	0.5
133.02945	0.5
135.04552	0.5
137.02426	0.3
139.00371	0.8
139.11302	0.3
141.01938	0.6
145.02960	0.5
148.01654	0.4
148.74504	0.3
149.04535	1.6
151.00366	1.8
152.63014	0.3
157.01393	2.2
161.02425	1.5
161.59583	0.3
163.00420	0.4
169.01447	0.8
174.01682	12.6
174.03200	0.7
175.02423	1.3
178.99910	1.0
179.03448	0.5
185.11815	11.0
186.12144	0.4
191.05582	0.4
195.27499	0.3
215.44157	0.3
227.03542	0.5
240.51976	0.3
243.02861	2.0
254.02040	0.4
255.02963	4.6
259.04565	1.0
271.02457	9.4
272.02884	1.1
277.05609	1.2
300.02713	17.4
301.03445	7.7
337.07932	0.4
445.17160	6.7
446.17194	0.4
463.08817	0.5
467.18140	0.3
505.10132	12.9
505.19211	100.0
506.10358	1.1
506.19571	9.5
506.27209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.0
59.52409	1.2
61.98805	3.7
64.35233	1.2
68.72600	1.3
71.52596	1.6
78.95898	16.2
84.45457	1.4
89.03529	1.1
150.97917	1.1
152.99580	24.1
171.00430	1.4
184.00024	1.4
224.06982	1.7
227.03186	3.6
248.07864	2.8
266.33157	1.5
277.21695	100.0
278.22064	6.5
279.23218	7.1
280.23596	10.8
476.13922	1.4
505.25589	51.4
505.32004	3.7
506.25900	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	505.257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.7
61.98827	4.4
68.01080	0.5
76.04733	0.6
78.95901	27.0
83.07664	0.6
84.23804	0.7
96.56816	0.6
96.96947	1.7
152.99577	39.6
155.72269	0.7
160.74600	0.6
171.00671	2.2
201.83522	0.6
227.03203	5.6
229.12466	0.9
238.20782	0.7
245.04343	1.5
277.21695	100.0
278.22025	5.7
284.82339	0.6
413.21060	1.3
505.25690	82.3
505.84167	0.8
506.25934	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	505.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76772	0.2
53.40324	0.2
57.03436	0.4
59.01376	21.9
59.88070	0.2
60.01702	0.4
61.98827	0.5
71.01381	2.6
72.99301	0.3
73.02927	1.1
75.41730	0.2
83.01383	0.6
85.02940	1.0
87.00851	0.6
89.02425	0.8
94.84847	0.2
95.01366	0.3
101.02445	1.6
104.47403	0.2
113.02451	1.2
119.03479	0.4
123.04390	0.2
125.42427	0.2
127.80576	0.2
133.02911	0.7
135.04521	0.6
161.02448	1.8
161.04573	0.2
166.37276	0.2
179.03477	0.6
191.05582	0.3
191.40395	0.2
203.03554	0.4
213.12737	0.2
267.17508	0.3
269.19092	0.9
283.16809	0.3
299.20279	0.2
301.21689	100.0
302.22046	5.7
341.08698	0.3
343.28516	0.9
389.10941	0.4
445.31689	1.8
463.32779	1.6
469.18588	0.9
504.34311	0.4
505.14252	0.9
505.34076	6.8
506.34476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14962	0.5
55.01876	1.3
56.93699	0.4
57.03442	1.5
58.00595	0.5
59.01376	76.5
61.98829	1.2
69.03470	0.9
71.01378	12.8
71.52370	0.6
72.99304	1.0
73.02945	4.9
77.98537	0.4
83.01385	4.1
85.02944	10.9
86.00079	0.9
87.00868	0.9
89.02447	1.0
95.01387	1.7
95.33111	0.4
97.02952	1.0
99.00868	2.1
99.77798	0.4
101.02435	11.0
108.77222	0.5
111.00906	0.5
112.01649	2.0
113.02441	6.5
121.97069	0.4
143.03552	0.8
143.47211	0.5
145.43005	0.4
159.02991	0.6
161.04538	1.5
264.24982	0.5
269.18881	0.6
271.20419	0.4
283.20642	0.9
299.20224	0.6
301.21695	100.0
302.22086	5.9
329.21286	0.5
343.22610	0.7
385.23511	1.1
397.23990	1.0
415.24939	1.2
440.42050	0.5
445.25900	68.9
446.26230	5.6
463.26971	44.5
464.27359	4.0
487.33038	0.7
505.28012	1.5
505.35004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03444	1.5
58.00586	0.3
59.01377	54.8
60.01702	0.4
61.98814	1.6
68.99825	0.3
69.03453	0.8
69.23567	2.0
71.01379	14.2
72.99286	1.2
73.02946	6.5
73.03359	0.3
75.00898	0.5
75.09221	0.2
83.01388	4.3
85.02948	11.7
86.00093	1.2
87.00860	1.4
89.02457	0.7
92.01400	0.2
95.01363	1.6
97.02953	0.9
97.06578	0.3
99.00891	1.8
101.02438	11.7
102.02750	0.2
111.00875	0.5
112.01677	0.4
113.02444	6.6
115.20287	0.2
121.02925	0.2
122.98529	0.2
124.01615	0.2
125.02444	0.8
128.88861	0.2
129.01974	0.3
142.57761	0.2
143.03497	0.6
159.02954	0.3
161.04497	2.1
182.35526	0.2
201.12843	0.3
269.19003	1.2
271.16934	0.4
283.20615	2.3
299.20096	1.8
301.21692	100.0
302.22037	6.0
329.21155	0.3
343.22818	0.8
359.22189	0.5
371.22284	1.0
385.23779	2.0
397.23770	0.3
415.25082	0.4
445.25900	65.0
446.26279	5.9
463.26962	51.8
464.27322	4.7
505.15616	0.6
505.27707	4.6
506.28146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2803
Annotation	Mucronine A
Peak:m/z	Relative Intensity
57.03442	1.4
59.01377	89.6
61.98829	7.1
66.50064	1.6
67.53355	1.4
70.99657	1.4
71.01055	1.6
71.01374	15.5
71.52155	1.8
72.99298	2.1
73.02944	8.2
83.01380	2.8
85.02941	5.9
89.02438	2.4
101.02451	14.6
113.02420	6.1
116.92809	2.0
131.95065	1.6
161.02415	1.6
161.04552	2.1
269.18954	2.3
283.20523	4.7
301.21707	62.5
302.21899	3.0
445.25922	80.8
445.31619	4.4
446.25922	5.6
463.26944	14.5
463.32629	2.7
505.27972	100.0
506.28165	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	505.2803
Annotation	Mucronine A
Peak:m/z	Relative Intensity
55.01864	0.7
57.03436	0.4
58.00581	0.3
59.01376	24.3
60.01690	0.3
61.98829	3.1
69.15067	2.5
70.88114	0.3
71.01376	9.4
72.99304	0.6
73.02940	8.0
74.00387	0.2
83.01383	2.5
85.02943	4.3
86.00091	0.5
87.00879	1.1
89.02440	0.9
95.01369	0.5
97.02947	0.4
99.00861	1.1
101.01799	0.5
101.02438	8.0
109.06432	0.2
113.02437	3.7
119.05013	0.4
123.29281	0.3
125.02446	0.3
143.03508	0.5
161.04559	0.7
163.03938	0.4
174.38130	0.2
185.64180	0.3
199.11238	0.5
201.12868	0.5
231.40495	0.2
267.17340	0.3
268.18115	0.3
269.19083	1.7
283.20648	18.7
284.21024	1.1
299.20184	0.7
301.21698	63.1
302.22083	3.9
343.22781	2.8
359.22217	0.3
371.22223	0.4
385.23804	0.6
389.10565	0.3
401.23309	0.5
445.25897	34.1
446.26349	3.4
463.26968	7.6
463.33301	0.4
464.27243	0.6
505.28021	100.0
506.28366	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	506.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.4
61.90119	0.3
61.98827	100.0
63.48366	0.3
63.89859	0.2
69.67855	0.9
69.68276	0.6
71.01363	1.3
72.99287	0.4
83.01392	0.3
85.02948	0.5
89.02460	1.1
99.04546	0.4
101.02458	1.1
113.02478	0.5
115.69490	0.3
117.03504	0.4
119.03530	0.3
119.04998	0.6
130.65379	0.3
135.04579	0.4
135.08218	0.6
145.02950	2.2
153.09273	0.5
161.02484	0.8
163.04045	1.1
163.37787	0.3
179.03470	0.3
179.05727	0.3
197.08218	0.4
291.08640	0.3
345.11240	0.8
345.15683	2.9
354.46582	0.3
359.13321	0.4
443.15530	5.2
444.15927	0.4
507.17380	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.3
59.84950	0.3
61.98824	100.0
69.38558	0.8
69.38966	1.5
71.01378	1.8
73.02957	0.3
75.49905	0.3
80.97945	0.3
89.02435	2.6
101.02422	1.5
112.19881	0.3
113.02458	1.0
113.19132	0.3
116.78740	0.3
119.03510	1.3
143.03453	0.5
161.04529	0.4
179.05592	0.9
187.11263	0.9
219.14069	0.3
229.83124	0.3
263.12924	1.2
308.90710	0.3
439.68396	0.3
443.19070	0.7
445.25049	0.3
447.22464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43007	0.2
55.67246	0.2
59.01372	2.9
61.98824	100.0
62.78891	0.2
68.02724	0.2
68.55937	0.2
69.34415	1.8
71.01376	2.5
73.02938	0.5
83.01386	0.3
85.02955	0.9
87.00891	0.3
89.02436	2.1
100.59343	0.2
101.02448	1.5
103.21429	0.2
113.02458	0.9
119.03519	0.7
128.37920	0.2
135.04570	0.2
161.02489	0.3
161.04544	0.6
179.05637	1.0
187.11304	0.7
219.13966	0.3
255.56285	0.2
263.12808	1.4
302.23138	0.2
345.30197	0.3
410.15570	0.3
443.19330	0.7
506.34152	0.4
507.35413	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	506.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96326	0.6
59.01073	0.9
59.01376	27.9
61.98825	100.0
64.75843	0.7
67.45390	0.6
70.42963	2.0
71.01387	2.4
85.02955	1.2
86.38775	0.6
99.00895	0.6
101.02464	2.2
161.02403	1.1
181.29828	0.6
196.98404	0.6
237.74469	0.6
357.22748	2.5
399.23633	1.5
446.31848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98540	6.3
61.98829	100.0
71.40240	7.9
159.74757	4.6
202.55751	4.3
216.20097	4.6
231.30952	4.4
247.98680	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	507.1139
Annotation	Moghanin A
Peak:m/z	Relative Intensity
52.32167	0.5
59.01374	5.5
61.98829	1.0
69.03442	2.1
71.01379	1.5
73.02933	0.6
79.01924	1.1
80.81989	0.6
81.03446	0.8
81.29064	0.5
83.01378	1.5
85.02939	0.8
85.06907	0.5
88.98802	1.2
95.01379	1.8
97.02937	1.7
98.19946	1.2
101.02426	1.7
107.01369	1.6
109.02939	1.1
113.02428	0.7
117.03410	0.6
121.02910	0.8
123.00879	7.5
124.01657	19.6
125.02439	33.6
126.02732	0.8
132.02155	1.4
133.02924	2.2
134.03719	6.4
135.04517	1.6
136.38133	0.5
137.02458	2.5
139.03966	0.5
149.06065	0.8
149.99574	31.0
151.00282	1.9
151.03947	0.9
160.01659	7.1
161.02420	6.0
163.03978	0.9
167.03510	1.2
168.00621	54.6
169.01334	4.7
175.02554	0.7
175.03993	9.4
179.03442	1.6
190.02725	0.6
191.03531	0.7
193.05048	3.2
203.53749	0.5
205.05078	0.6
255.75360	0.6
313.05634	3.6
331.06662	13.0
337.09201	1.0
341.08536	0.7
344.12222	0.9
345.12436	1.1
447.26700	0.7
475.12808	2.9
489.10187	0.9
507.11353	100.0
508.11688	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	507.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71112	0.8
53.29433	0.8
55.00372	1.0
55.01882	1.9
58.88731	0.9
59.01115	1.1
59.01379	13.7
63.19733	0.9
65.03960	33.0
68.99824	1.2
69.03445	7.2
69.39355	5.1
71.01380	14.3
73.02944	3.8
74.42953	0.8
75.00864	2.1
83.01374	2.3
85.02944	6.7
87.00877	2.1
89.02435	8.2
93.03442	6.2
95.05040	4.3
97.02849	1.0
99.00883	3.1
101.02445	9.3
103.05518	1.3
106.04230	2.5
112.21388	0.9
113.02424	6.9
117.01894	1.0
119.03500	2.3
119.05005	4.4
121.06589	24.6
135.02995	10.1
139.04001	55.3
139.07614	1.2
140.04321	1.6
143.03416	1.0
147.04489	2.2
161.04553	1.3
163.07655	1.1
165.05553	36.6
166.05939	1.1
183.06619	30.1
184.06940	1.0
209.04494	9.1
227.05626	2.4
228.82726	1.0
295.67300	1.0
345.11853	21.9
346.12219	1.8
371.09860	1.3
389.10883	54.1
390.11292	3.6
507.13513	100.0
508.13947	8.3
519.13727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.7
59.01107	1.4
59.01377	13.8
65.03963	37.3
68.99806	1.1
69.03448	7.2
69.68140	3.0
69.68531	1.7
71.01376	15.1
73.02921	5.0
75.00861	1.6
83.01390	2.0
85.02948	6.4
87.00826	1.3
89.02453	8.0
93.03445	4.4
95.01370	1.1
95.05012	3.2
99.00863	2.7
101.01467	1.0
101.02434	10.3
106.04256	1.7
113.02441	7.2
116.06429	1.0
117.01910	1.2
118.56492	0.9
119.03512	3.2
119.05006	3.4
121.02934	2.1
121.06586	24.0
122.22202	0.9
125.02464	1.3
135.02946	4.3
137.06047	1.0
139.04004	58.8
139.07588	1.6
140.04288	1.5
158.82793	1.1
161.04518	2.1
165.05557	29.5
171.02992	0.9
183.06598	31.1
209.04495	10.1
227.05528	2.4
345.11844	29.0
346.12155	2.1
354.14877	1.0
389.10852	100.0
390.11185	6.1
507.13495	42.1
508.13846	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	507.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
59.01375	14.0
59.51942	0.5
61.98830	3.8
69.53080	3.3
71.01372	5.1
72.99306	1.0
73.02953	1.8
78.74123	0.5
83.01379	0.8
85.02937	1.8
87.00854	0.5
88.98809	1.8
89.02434	2.9
95.01390	0.5
99.00880	0.8
101.02429	3.3
105.01917	1.0
107.05009	0.8
109.02945	0.7
111.00869	1.1
113.02452	3.0
116.92863	1.4
117.03471	0.7
119.03507	0.7
119.05025	1.0
122.03653	0.6
123.04496	3.0
132.02176	1.1
133.02945	32.2
134.03665	0.7
135.04509	20.5
136.85396	0.5
137.02405	0.7
145.02960	1.3
149.02403	0.7
149.06113	0.6
150.03210	5.3
151.04002	5.7
161.02428	100.0
162.02803	3.3
163.04005	0.9
175.03995	1.5
177.05524	1.5
179.03476	16.1
180.03911	0.6
183.10262	0.6
183.54501	0.5
194.10333	0.5
203.03485	4.1
205.04991	0.6
205.12344	0.8
221.04553	1.1
251.05597	0.7
281.06644	1.0
323.07703	1.7
341.08658	4.0
345.12213	0.8
387.19901	0.6
447.22180	1.3
475.12408	27.1
476.12997	2.6
506.29779	0.5
507.14951	41.1
507.27954	4.5
508.15317	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
64.32874	0.4
71.01372	1.2
85.02929	0.7
89.02474	0.6
94.75234	0.4
98.20705	0.6
105.03464	0.7
109.02946	1.4
117.03489	0.6
123.04527	4.8
126.41492	0.4
132.02225	2.0
133.02951	32.0
134.03763	1.3
135.04515	22.1
136.04837	0.8
137.02350	0.5
139.43954	0.5
149.02446	0.6
149.05963	0.9
150.03224	6.4
151.04015	10.3
161.02435	100.0
162.02742	3.7
175.04013	1.7
177.05545	2.1
179.01910	1.0
179.03487	19.0
180.03893	0.6
203.03503	7.1
221.04552	2.0
229.49365	0.6
233.04501	0.8
251.05574	0.5
281.06558	1.2
311.66901	0.5
323.07751	2.2
338.39523	0.4
341.08780	6.2
366.38373	0.5
475.12402	36.2
476.12653	3.1
507.14941	11.1
508.15402	0.9
518.63892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.4
59.01380	2.8
61.98832	2.1
71.01379	1.6
75.00871	1.8
80.82548	0.3
85.02950	1.1
87.00889	0.6
88.98794	0.5
89.02425	0.8
99.00866	0.8
101.02457	1.0
105.03440	1.1
109.02935	1.4
111.00848	0.5
113.02473	1.2
113.99591	1.3
115.00411	0.5
119.03516	0.4
121.02917	0.6
123.04528	4.4
132.02170	1.8
133.02948	32.6
134.03671	1.2
135.04515	23.3
136.04843	0.6
137.02454	0.5
149.02437	0.7
149.06078	1.4
150.03221	5.8
151.04004	9.7
152.91573	0.4
161.02431	100.0
162.02802	3.1
174.01743	0.8
175.02562	0.3
175.03954	1.7
177.05496	2.6
179.03487	22.4
180.03848	0.7
185.11829	0.7
186.12111	0.4
187.12422	0.5
189.05496	0.6
197.58589	0.3
203.03474	7.2
221.04544	2.2
233.04549	0.9
251.05539	0.9
256.52658	0.3
272.02875	0.5
281.06668	2.1
302.03644	0.4
313.09119	0.5
323.07617	2.8
331.82614	0.3
341.08716	9.4
342.09146	0.4
385.50671	0.4
447.17645	0.8
475.12387	56.0
476.12695	4.0
507.14865	12.9
507.20288	10.5
508.15350	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.7
65.03949	1.0
69.03441	0.5
71.01386	1.3
71.51535	0.7
72.99297	0.5
73.02957	0.5
83.01389	0.5
85.02945	7.8
87.00878	2.6
93.03446	3.0
99.04493	0.5
101.06087	1.1
109.02945	0.8
111.00874	0.8
111.04504	1.0
121.06564	0.8
123.04611	0.5
127.03998	1.9
129.01962	0.6
129.05557	0.5
130.78549	0.4
139.04004	1.2
160.10019	0.5
165.04135	0.6
165.05542	0.7
171.02979	0.5
173.04527	0.8
183.06607	1.3
187.94040	0.4
191.05598	100.0
192.05965	2.5
298.48657	0.4
339.26492	0.4
363.43478	0.5
385.32379	0.4
389.10809	1.0
391.11215	0.6
449.93964	0.4
507.13327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03438	0.7
58.00592	1.0
58.14843	0.6
59.01377	26.9
60.42379	0.6
61.98829	7.7
66.68231	0.5
69.03456	0.6
70.77747	0.5
71.01376	24.7
71.52980	0.6
72.01749	0.6
72.99306	3.9
73.02943	8.1
75.00912	0.6
83.01380	1.8
85.02946	7.7
87.00866	3.3
88.98808	0.9
89.02441	16.5
93.03461	0.6
95.01384	1.8
99.00880	1.9
101.02437	18.8
111.00863	0.9
113.02451	8.3
119.03493	5.9
119.04927	0.6
121.10213	0.9
122.03748	0.6
123.04532	0.6
125.02420	1.3
131.03505	3.8
133.02994	2.8
133.03775	0.6
134.03741	2.1
135.04489	2.6
137.02425	0.6
139.03981	1.5
143.03494	1.4
146.45496	0.6
149.02435	0.7
149.04434	0.9
149.06085	1.1
150.03215	3.1
151.03951	0.7
151.95261	0.6
152.03484	1.6
153.03920	0.5
159.02962	1.0
160.01709	0.8
161.02467	7.7
161.04518	7.0
165.05519	2.9
165.09193	2.5
167.03508	2.3
175.03949	1.0
178.02695	1.0
179.03517	2.0
179.05591	2.3
183.06506	0.7
183.10213	1.2
193.05038	6.8
194.05388	0.8
195.06625	1.8
203.03625	0.8
221.04536	0.9
221.06577	5.8
345.11578	1.2
345.15549	2.1
389.11316	0.9
447.13745	1.3
469.17322	2.8
475.12479	4.1
491.72025	0.6
507.20819	100.0
508.21213	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	507.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10926	0.6
57.03432	0.8
59.01378	13.1
60.99300	4.2
61.98824	4.2
68.41698	0.6
68.99799	2.4
69.03476	0.6
71.01376	6.2
71.53547	1.0
73.02938	2.9
75.00861	1.0
83.01400	1.5
85.02949	4.0
87.00863	2.3
88.98801	32.0
88.99358	1.6
89.02428	2.3
95.01423	1.1
95.29777	0.6
99.00884	3.1
101.02449	3.7
101.03031	0.6
111.00863	1.8
111.35847	0.7
113.02429	4.3
113.99570	10.0
115.00380	5.7
119.04977	0.6
127.00367	2.2
129.01953	1.3
131.03477	0.8
133.02937	1.9
135.04486	2.7
139.00407	0.8
145.02921	1.1
157.01393	1.8
161.02405	9.4
163.04005	0.8
169.01427	0.6
174.01685	10.7
175.02443	1.8
179.03433	1.6
181.12379	0.8
187.13365	16.6
201.14934	1.1
205.66011	0.7
259.04605	1.4
387.20193	1.8
405.21603	1.0
447.18054	5.3
475.12531	1.8
507.20789	100.0
508.21262	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	507.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96054	0.5
55.01875	0.5
57.03442	2.3
59.01376	100.0
60.01704	0.7
61.98827	4.9
69.03436	0.5
69.17619	4.2
71.01374	8.0
72.99309	0.5
73.02949	5.0
75.00868	0.7
82.14445	0.4
83.01382	1.4
85.02943	2.5
87.00896	0.8
88.98807	0.6
89.02445	3.8
91.57272	0.4
93.03457	0.5
97.02935	0.6
99.00888	0.5
101.02442	6.4
105.96009	0.4
108.02183	0.5
109.02962	0.6
113.02438	5.0
119.03515	1.5
121.02982	0.6
125.02460	0.5
131.03496	0.6
133.02965	4.1
134.03688	0.8
134.07375	0.6
135.04509	5.5
139.04034	0.6
139.07666	1.1
139.62621	0.4
143.03487	1.0
147.03151	0.4
147.04471	0.8
149.04538	1.0
149.06122	0.5
149.09715	7.3
150.03220	0.6
151.04063	0.6
153.09177	2.9
161.02451	10.9
161.04482	2.7
161.05798	0.4
162.02800	0.5
167.10765	13.7
168.11177	0.7
175.04004	0.9
176.04759	0.6
177.05675	0.8
179.03543	4.0
179.05640	0.7
191.05579	0.6
203.03569	1.7
209.11801	0.5
221.04543	1.1
225.14938	3.2
233.04767	0.6
243.16087	2.7
251.05487	0.6
281.06830	0.6
297.11450	0.8
315.12277	0.4
341.08572	2.2
355.10309	0.5
387.20203	9.1
391.11710	0.5
405.21249	2.6
440.56113	0.5
447.22339	18.1
448.22913	1.2
463.12640	1.4
475.12677	0.7
507.10779	0.6
507.16254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.1
57.03436	1.7
59.01377	31.6
61.98827	10.2
71.01376	42.3
71.53192	1.2
72.99301	1.6
73.02554	1.3
73.02943	14.4
75.00855	1.8
77.45792	1.1
82.95408	1.5
83.01361	4.4
85.02940	15.8
86.42046	1.0
87.00863	1.9
89.02435	11.8
89.03925	0.9
95.01360	2.3
97.02942	1.7
98.08595	0.9
99.00883	7.6
101.01804	1.6
101.02438	25.1
102.38608	0.9
105.03424	2.0
113.02454	14.6
119.03488	1.6
119.28622	1.0
125.02458	2.3
131.03482	1.1
133.02946	6.9
135.04530	18.9
143.03497	2.2
149.04572	1.9
159.02994	2.3
160.86726	1.0
161.02481	5.8
161.04527	12.5
177.01915	61.9
178.02295	2.4
179.03529	5.3
229.08676	2.1
233.06651	1.5
293.08899	1.3
315.18146	14.2
326.21301	0.9
403.26660	1.2
410.16052	1.3
447.22287	100.0
448.22720	7.3
475.11841	1.5
507.22061	2.1
507.28357	1.8
507.34830	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	507.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	13.1
67.21532	3.8
70.11695	4.4
71.00114	8.1
71.00462	4.5
81.05145	4.4
96.06980	4.0
117.60945	4.8
155.23314	4.7
161.02405	4.6
242.78787	4.3
277.21814	4.5
309.99451	4.9
471.34787	100.0
472.34998	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	507.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48075	2.1
61.98824	8.4
71.51443	2.9
78.95897	21.8
81.26563	2.1
83.73671	2.1
98.10778	2.2
140.61110	2.4
152.99585	32.2
171.00676	3.4
227.03241	5.0
275.31955	2.2
279.23285	100.0
280.23578	5.8
281.05365	2.2
349.82095	2.5
389.99734	2.4
480.69504	3.2
492.67639	2.4
507.26859	72.1
508.27573	3.9
520.82050	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	508.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.2
61.98827	94.0
65.03948	0.6
69.85985	0.5
70.32781	0.5
71.01376	4.5
71.52560	0.7
73.02948	1.4
76.46640	0.5
80.84966	0.5
85.02950	1.4
87.00872	1.4
88.28075	0.5
89.02448	2.7
93.03432	0.6
96.29607	0.5
101.02460	3.5
113.02448	2.6
117.03426	1.2
119.03475	1.0
119.05014	1.3
121.02992	0.6
121.05024	0.9
132.02177	0.6
133.02951	21.6
134.03288	0.7
135.04517	8.5
137.02429	0.9
151.03989	1.7
161.02429	98.0
162.02783	3.1
163.04024	3.2
164.04781	2.8
167.10735	1.2
177.05562	0.6
179.03487	7.5
179.05713	0.8
179.07117	6.7
183.06656	0.7
191.05579	0.9
221.04454	1.3
281.06558	0.7
371.15778	0.6
399.26517	0.6
430.30719	0.7
445.13464	100.0
446.13849	7.7
448.22742	1.7
473.12518	1.0
508.17102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.2
61.98826	100.0
71.01365	0.3
71.44772	0.4
72.84834	0.2
73.94703	0.3
88.98782	0.4
97.43536	0.2
103.66361	0.2
135.04520	0.3
136.42899	0.2
137.02463	0.5
140.78262	0.3
145.02988	1.1
154.04228	0.2
157.75212	0.2
161.02516	0.4
163.04141	0.2
445.14984	1.2
508.29044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17572	0.2
52.16721	0.2
55.39794	0.3
59.01379	4.7
60.12936	0.2
61.98826	100.0
67.42365	0.2
71.01384	0.9
74.24844	0.2
81.50302	0.2
83.01408	0.4
89.79438	0.2
101.02457	0.4
113.02536	0.3
119.04992	0.3
133.02948	0.3
135.04565	0.7
147.04504	12.3
148.04834	1.0
161.02451	0.9
161.06079	0.5
162.02829	0.3
219.08435	0.2
388.79581	0.3
449.18210	0.4
465.15735	0.7
476.13055	0.4
508.15640	0.3
508.34412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42442	0.2
59.01372	2.5
61.67607	0.2
61.98824	100.0
63.33036	0.2
67.88815	0.2
71.01384	0.7
71.53444	0.2
73.02935	0.3
84.52882	0.2
85.02996	0.2
87.00911	0.2
88.98790	0.4
89.02439	0.3
95.77337	0.2
101.02467	0.4
102.40990	0.2
113.02416	0.3
117.03443	0.2
119.05054	0.4
120.39266	0.2
133.02977	0.7
135.04500	0.4
137.02452	1.5
145.02948	1.1
161.02454	1.9
161.03685	0.3
161.04356	0.2
162.02867	0.3
179.03540	0.2
263.19427	0.2
445.15866	1.0
465.15994	0.2
508.28537	0.4
509.20135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00544	0.8
59.01111	1.4
59.01377	18.9
61.98818	4.7
62.34515	0.8
65.03961	32.3
68.99814	7.3
69.03451	6.9
69.48254	0.9
69.64307	4.8
71.01013	1.3
71.01375	16.4
72.76076	0.9
72.99296	1.3
73.02936	3.9
83.01370	1.2
85.02935	4.7
87.00864	2.2
89.02440	8.5
93.03450	33.6
95.01366	1.7
95.05028	4.6
97.02901	1.0
98.74895	0.8
99.00861	6.3
101.02431	12.9
103.05595	1.5
106.04257	2.0
107.05010	2.6
107.68519	0.9
108.02151	1.4
113.02441	7.9
113.88671	0.8
119.03490	2.9
119.05014	3.7
121.02949	1.7
121.06591	19.1
122.06845	1.0
135.04527	1.9
136.01686	7.0
137.02435	52.5
137.06076	1.3
138.02834	1.4
139.04005	100.0
140.04335	3.0
147.04485	2.0
151.03976	3.9
160.01605	0.9
161.02473	1.9
161.04524	2.1
165.05545	27.7
165.06915	1.9
179.03481	28.9
181.04858	1.0
183.06609	22.4
183.10208	3.1
184.06941	1.0
185.11792	3.5
209.04524	44.2
210.04916	2.0
214.27962	0.9
221.04515	0.9
227.05595	1.8
239.05594	23.6
240.06297	1.0
281.06683	6.2
299.07663	21.3
300.07910	1.9
317.15970	1.1
345.11868	18.4
346.12344	1.5
347.17206	1.9
389.10870	19.1
421.15063	4.2
449.20450	5.4
465.13971	21.7
466.14484	1.7
509.12976	57.8
509.21823	3.7
510.13300	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	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16439	0.7
50.86742	0.7
59.01111	1.0
59.01382	11.6
61.98829	16.2
69.76777	2.4
69.77186	1.5
71.01387	4.8
73.02944	6.5
82.90528	0.7
83.01371	2.5
85.02941	1.8
87.00834	1.1
88.98795	2.3
89.02439	1.8
91.88641	0.7
100.76213	0.8
101.02451	4.6
102.98592	1.0
107.01394	1.8
109.02949	2.5
113.02444	2.0
113.99577	6.4
115.00375	2.4
119.03445	0.9
121.02961	2.6
135.00882	0.9
148.01666	1.0
149.02469	0.7
151.00359	9.7
161.04544	1.4
163.00386	2.2
163.04010	1.2
178.99837	4.3
187.13400	0.9
191.05652	0.7
211.03889	0.9
212.04478	0.7
227.03462	2.4
243.02930	4.8
245.04485	1.4
254.02179	1.2
255.02946	16.8
256.03366	1.3
271.02457	27.8
272.02924	2.3
273.03943	1.4
283.02350	1.3
287.16550	3.2
288.16864	1.8
300.02740	61.7
301.03503	44.4
302.03903	2.7
390.53473	0.9
447.09293	100.0
448.09366	6.8
457.11218	0.9
509.22507	2.1
510.23309	5.0
511.22189	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	510.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40970	0.4
59.01377	43.3
59.21839	0.4
60.01715	0.6
60.99301	1.1
61.98826	100.0
65.03962	0.6
67.03117	0.4
69.24364	1.7
69.24789	2.5
71.01379	2.0
73.02957	0.7
78.58674	0.5
83.01381	0.6
87.00911	0.5
88.98803	6.6
89.99144	0.8
98.19857	0.9
101.02451	1.9
101.06035	0.6
109.60297	0.5
135.04492	0.7
135.42668	0.5
143.28998	0.5
145.02979	0.6
150.81183	0.5
161.02466	1.3
194.75766	0.6
203.26497	0.5
257.93210	0.6
285.03967	1.0
361.18634	4.9
383.08502	0.5
403.19690	5.7
447.09525	1.0
474.16916	0.8
510.20758	1.9
510.30084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47068	0.1
56.30812	0.1
59.01374	0.2
61.98825	100.0
62.98542	0.2
69.36700	1.0
97.39422	0.1
106.89079	0.1
108.84884	0.1
135.06740	0.2
140.73822	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68563	0.2
59.01376	1.2
61.98825	100.0
62.05905	0.2
69.36438	1.4
71.01377	0.4
73.02958	0.2
89.02472	0.2
98.20691	0.3
101.02416	0.2
114.74940	0.2
122.95333	0.2
135.04509	2.8
136.04869	1.5
146.14091	0.2
150.62476	0.2
161.02423	0.2
171.96494	0.2
182.00203	0.2
253.19591	0.2
510.22360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.4
61.98825	70.1
70.16209	1.4
71.01376	10.1
72.99288	2.5
78.14365	1.8
83.05021	1.7
85.02940	3.0
89.02435	6.8
101.02425	4.9
105.34598	1.6
111.04549	2.1
113.02445	3.6
119.03460	2.7
159.27008	1.5
193.50191	1.7
209.11806	5.4
221.19012	6.7
223.82941	1.6
237.21867	1.6
275.08267	1.6
285.20688	18.7
447.25946	100.0
448.26263	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	511.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.7
61.55840	0.8
61.95427	0.7
61.98831	6.2
65.44162	0.6
65.57839	0.6
71.01373	7.5
71.52159	1.1
72.16585	0.8
72.99303	0.8
73.02911	0.8
75.00870	0.9
78.91896	0.8
85.02941	2.9
85.29437	0.7
87.00874	1.5
89.02443	7.3
95.01355	0.7
96.95985	1.7
99.67328	0.7
101.02447	4.9
109.02979	1.3
111.00786	0.7
113.02460	3.9
119.03484	3.1
119.05070	0.7
123.04493	3.2
125.02356	0.8
131.03540	0.7
132.02171	1.2
133.02953	22.3
134.03705	1.5
135.04501	14.6
136.01680	1.5
136.04913	0.9
137.02446	1.5
139.03970	1.1
149.02417	2.5
149.06013	0.8
150.03188	2.6
151.03967	2.6
151.06136	2.1
161.02428	100.0
162.02782	2.7
165.05548	3.9
177.05536	2.2
179.03494	13.2
179.05106	1.1
179.05667	1.2
179.07076	1.0
182.59444	0.7
191.05557	1.1
195.06619	0.8
209.04515	1.7
221.04529	4.6
251.05605	1.7
253.08618	0.8
267.06628	0.9
270.76468	0.7
279.74982	0.7
281.06610	2.0
282.08722	0.8
311.07755	1.1
313.10892	2.1
331.17471	0.8
447.46481	0.9
451.16055	3.4
463.12357	1.6
473.13098	2.1
475.14536	93.2
476.14825	6.1
493.14786	0.9
511.17419	1.2
511.24002	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39854	0.6
59.01376	2.8
61.98841	0.8
71.01370	1.2
71.50989	0.6
73.90482	0.5
81.03497	0.7
85.02958	1.8
89.02452	1.2
89.89480	0.6
93.03432	0.8
101.02449	0.6
113.02439	1.1
113.06087	73.2
114.06403	1.5
116.15479	0.6
123.04554	1.0
133.02930	1.5
135.04521	3.6
135.05403	0.8
136.01694	1.0
137.02429	6.3
149.02452	0.9
150.03186	1.5
151.03992	1.4
157.05054	100.0
158.05383	2.3
161.02429	10.8
172.60062	0.8
179.03506	1.9
179.05602	0.8
183.06731	0.6
191.05617	19.4
203.03462	0.7
253.08755	0.8
296.60416	0.6
298.36783	0.6
353.08749	2.9
395.45688	0.7
475.12601	3.9
493.13397	3.3
511.14294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	45.6
61.98827	1.5
65.47631	0.6
71.01379	8.6
71.51104	1.1
73.02972	1.0
75.18074	0.6
75.30786	0.6
81.03451	1.5
83.01357	0.8
85.02927	2.0
89.02441	7.6
91.05512	1.1
93.03455	1.7
95.01360	0.9
96.95989	0.7
97.02965	3.1
98.54269	0.7
101.02443	5.8
105.01913	0.7
107.05010	4.1
108.02197	1.0
110.56487	0.6
113.02422	2.8
117.01518	0.7
117.07081	1.6
119.03515	3.3
119.05014	2.9
133.06531	1.5
135.03506	1.2
135.04521	17.6
136.04808	0.7
143.03499	0.7
149.06088	1.3
154.23825	0.6
155.48859	0.6
161.04726	1.4
161.06062	32.7
162.06403	1.3
164.07101	1.0
179.05646	0.9
189.05524	2.0
191.05568	1.7
197.04495	0.7
199.07686	0.8
201.05582	1.3
213.03670	0.7
214.06323	0.7
227.10721	0.8
229.08600	0.6
253.08681	1.7
271.09711	9.2
313.09122	1.0
331.70593	0.7
451.16046	100.0
452.16245	8.2
475.14694	1.5
511.18048	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	511.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.7
71.01369	2.4
72.18244	0.8
72.99286	1.1
85.02935	8.8
87.00868	2.4
89.02441	1.0
93.03432	2.5
101.02425	1.6
101.06075	7.3
109.70871	0.8
115.03972	2.0
127.03972	1.9
129.05562	2.5
135.04533	1.3
153.01947	1.0
161.06041	2.4
182.05621	1.0
191.05595	100.0
192.05904	1.5
201.12419	0.9
251.17880	0.9
261.83969	1.2
451.15945	8.6
473.94028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	14.5
60.99305	14.3
61.98835	1.1
65.50581	0.6
71.01367	1.2
71.52567	0.8
72.99300	1.4
81.60781	0.7
85.02886	0.8
88.98800	100.0
93.03459	2.7
107.04983	0.8
113.02486	0.7
115.03040	0.7
119.05006	6.3
135.04510	4.2
139.03989	0.8
147.04533	5.7
157.85402	0.7
163.03998	7.9
181.05048	18.2
193.35385	0.6
201.27135	0.6
289.39758	0.8
466.11777	0.8
489.58112	0.8
511.21832	16.7
512.21930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22096	1.3
57.66446	1.4
59.01373	6.5
67.38807	1.6
70.51717	3.2
70.52127	3.2
71.01389	3.1
72.99300	1.8
85.02955	6.8
87.00882	2.7
93.03494	1.9
101.06058	16.1
113.02421	1.8
115.04023	5.5
120.21235	1.4
123.17284	1.7
129.05571	4.4
191.05595	100.0
192.06042	2.0
223.65273	1.6
451.16077	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	511.3424
Annotation	11-OXOURSOLIC ACID ACETATE
Peak:m/z	Relative Intensity
57.67365	0.2
59.01376	17.8
60.01699	0.3
61.06995	0.2
61.98831	0.5
69.48574	0.2
71.51063	0.3
71.51429	0.2
131.51987	0.2
231.28798	0.2
281.69269	0.2
318.87387	0.2
331.22794	1.0
342.93774	0.2
375.26962	0.6
389.28436	0.8
391.30032	0.5
405.31595	15.8
406.31906	1.3
435.28998	1.1
438.67661	0.2
449.30432	1.3
451.32147	2.3
465.33673	59.4
466.34061	6.0
467.35245	1.5
511.34225	100.0
512.34601	10.6
512.40851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37598	0.2
57.03469	0.4
59.01376	40.9
60.01711	0.2
61.98846	0.3
71.01375	3.7
73.02945	0.7
81.03446	3.2
83.05021	10.0
85.02929	1.3
85.99417	0.3
86.75160	0.3
87.00889	0.4
89.02444	1.8
98.19850	0.6
99.00868	0.3
101.02435	2.9
107.06191	0.3
108.04594	0.4
113.02450	1.2
117.03459	0.3
118.82346	0.3
119.03416	0.6
125.02429	0.5
125.07198	1.1
131.03490	0.3
132.02150	1.4
133.02991	0.6
134.03731	2.9
135.04509	0.6
141.12865	0.4
143.08301	0.5
149.06059	0.6
149.99588	0.4
159.02960	1.2
160.01653	6.1
161.02382	0.8
161.04517	0.3
163.06142	1.5
164.13576	0.3
168.00641	0.5
171.13925	0.8
175.03983	7.7
176.04651	0.9
179.03467	0.5
181.07201	1.1
185.11798	6.1
191.07132	1.0
193.05037	3.7
199.13400	2.6
205.07237	0.7
207.06699	0.3
207.15024	1.2
209.11729	0.4
221.00307	0.3
224.17690	2.3
225.16052	7.9
226.16394	0.6
227.12885	2.0
230.21767	0.4
235.06189	2.2
242.18747	0.4
265.07162	0.5
290.22516	0.3
295.08258	0.7
309.21811	0.3
319.17554	0.3
321.06201	0.6
324.26505	1.1
325.11340	5.5
333.22964	2.1
335.18811	0.3
343.12509	2.1
351.23965	0.8
367.27020	1.4
433.31796	4.6
434.32095	0.4
451.32855	100.0
452.33170	7.9
479.13403	0.4
493.17139	8.4
494.17596	0.7
511.10840	0.8
511.18109	2.8
511.24124	0.7
511.35150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
61.98827	100.0
68.90189	0.2
71.01389	0.7
71.53541	0.4
73.02959	0.4
75.67802	0.2
80.96528	0.5
83.04967	0.3
85.02948	0.4
87.00910	0.4
93.03461	0.8
97.06620	0.4
101.02431	0.6
113.02487	0.6
133.02962	0.3
135.04536	0.5
135.22964	0.2
141.01979	0.8
145.91655	0.3
147.04543	0.5
149.05090	0.3
153.11090	0.2
159.02997	1.1
173.04535	1.3
174.03134	0.3
191.05692	0.7
298.84280	0.3
330.98941	0.3
333.20755	1.1
353.10333	1.0
449.14474	1.4
476.32425	0.2
512.19159	0.5
513.27448	0.5
524.87390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.1
61.98827	12.7
64.20589	1.0
69.29093	2.3
69.29502	6.7
71.01378	5.7
73.02940	2.3
83.01413	1.1
85.02943	2.3
87.00847	1.7
89.02469	2.2
93.03472	1.6
96.96005	6.5
101.02431	4.4
104.27850	1.0
107.05053	1.0
108.02171	33.5
109.02957	1.5
113.02473	1.5
117.03429	2.0
121.02947	1.1
123.04511	3.2
133.01942	1.8
133.02950	28.6
133.03909	2.0
134.03697	2.7
135.04526	17.0
137.02394	1.3
139.03992	1.0
145.02972	3.6
148.05374	1.3
149.06041	1.6
160.01698	2.4
161.02432	99.8
162.02811	3.7
175.03987	2.6
177.05583	4.3
179.03493	16.5
181.05089	1.9
191.05698	1.8
221.04572	6.8
251.05580	4.4
256.24249	1.2
281.06699	7.1
341.08801	2.8
477.13965	100.0
478.14301	7.7
513.19366	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	513.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89389	2.2
59.01382	24.1
61.98828	53.5
66.47933	2.0
69.23693	7.7
69.24117	11.6
71.01379	9.4
73.01189	2.9
73.02936	4.0
82.14388	2.0
85.02942	6.1
89.02454	11.2
95.01313	2.2
101.02419	9.5
113.02449	2.4
119.03485	6.0
125.02438	2.5
133.02963	23.7
135.04510	15.4
141.41879	2.0
143.03491	2.3
145.02951	3.5
149.02419	3.9
151.00330	4.0
152.00792	2.3
153.01900	2.3
161.02428	100.0
163.06105	2.6
164.04808	2.8
179.03436	4.4
187.13377	18.0
191.05620	11.8
192.05956	3.9
201.14981	11.5
285.03976	2.1
286.04355	3.4
296.45239	2.0
304.05478	3.4
307.10400	11.1
315.10593	3.9
325.11252	11.9
352.47455	2.4
450.11130	4.8
477.13956	90.0
478.14255	9.4
513.16345	6.5
513.24963	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	513.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13205	1.2
59.01374	12.3
61.24102	1.2
61.98828	76.2
67.52728	1.3
71.01360	5.1
71.51812	1.3
72.99296	1.8
85.02952	1.8
85.25239	1.2
89.02438	3.3
101.02415	3.5
113.02463	3.1
113.96439	1.3
115.02187	2.3
133.02953	28.1
135.04527	17.8
137.02336	1.3
145.02914	1.6
156.00685	1.5
159.02879	1.8
161.02435	100.0
162.02782	4.2
179.03479	11.9
210.67091	1.2
350.12479	1.2
442.72809	1.5
452.32974	5.3
453.23380	6.8
453.33505	2.4
477.14008	81.7
478.14279	6.5
513.19318	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	513.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00648	0.8
58.33505	0.8
59.01371	6.9
61.11514	0.8
61.98828	28.8
69.24648	3.1
69.25085	3.7
71.01382	3.9
73.02956	1.0
74.12345	0.8
83.81381	0.9
89.02432	2.6
91.11092	0.8
100.82763	0.8
101.02419	2.1
108.02168	38.3
113.02402	1.3
121.02930	1.1
132.02151	1.5
133.01927	1.4
133.02946	26.6
134.03673	2.9
135.04507	18.3
137.02428	1.9
149.06073	1.4
158.79622	0.7
160.01619	2.7
161.02431	100.0
162.02789	2.7
175.04001	2.7
177.05487	4.2
178.02673	1.2
179.03471	18.8
181.05080	2.4
185.61186	0.8
193.04967	1.7
203.03535	1.0
218.69038	0.9
221.04550	6.1
239.20073	0.8
251.05510	3.4
281.06601	6.0
341.08728	2.7
477.13977	93.2
478.14240	9.2
513.19843	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	513.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03428	0.8
57.92902	0.4
59.01378	3.0
61.98821	2.1
68.99804	3.2
69.03455	1.0
71.01388	3.4
71.52638	0.5
72.99313	0.6
73.02945	1.8
75.00865	1.2
83.01385	1.8
85.02953	7.2
86.14675	0.5
87.00863	2.3
89.02431	0.8
95.01372	1.1
97.02946	0.9
99.00886	5.3
101.02429	2.9
104.18306	0.4
106.93779	0.4
106.94901	0.5
111.00880	2.8
113.02444	6.9
113.99576	15.2
115.00380	7.7
117.03452	0.9
121.02917	0.4
125.02457	0.6
127.00368	4.0
129.01949	2.8
133.02963	0.7
134.03737	16.6
139.00354	1.3
141.01936	0.8
144.98904	0.5
145.03011	0.6
149.06088	1.7
157.01425	5.4
160.01619	0.6
161.02426	0.6
163.04022	0.6
169.01379	1.3
174.01674	15.4
175.02432	2.0
175.03955	1.2
179.03534	0.6
191.48296	0.5
193.05046	8.6
277.05606	34.6
278.06015	1.4
279.58820	0.5
319.06589	0.8
337.07727	68.0
338.08087	3.0
357.65027	0.5
399.97073	0.5
453.10257	4.8
454.10617	0.5
513.12427	100.0
514.12762	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	513.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93713	0.7
59.01376	5.7
61.98825	6.1
68.99808	2.8
69.03425	0.9
71.01374	6.0
72.99306	1.2
73.02946	3.2
75.00865	1.3
83.01380	2.6
85.02943	7.4
87.00864	1.9
89.02436	1.2
91.36216	0.6
95.01395	1.4
97.02933	1.4
99.00900	4.3
101.02435	5.0
108.02183	1.3
109.02962	0.7
111.00872	2.5
113.02455	7.6
113.98842	1.4
113.99583	17.6
115.00377	8.2
117.03445	1.1
118.65884	0.7
125.02405	1.2
126.90414	2.0
127.00410	3.4
129.01917	2.9
133.02907	0.9
134.03734	16.0
139.00339	1.0
139.04045	1.1
141.01900	0.7
145.02921	1.3
149.02504	0.8
149.06041	1.9
150.03078	0.7
150.36383	0.6
151.03923	0.7
157.01456	4.1
160.01653	1.4
161.02397	1.6
163.03944	0.7
169.01482	1.2
174.01685	15.8
175.02496	1.5
175.03905	1.4
179.03423	1.2
193.05078	9.9
197.04567	1.5
239.05518	1.3
277.05630	32.2
277.08667	1.6
278.05945	1.3
337.07748	64.6
338.07996	3.4
351.20331	1.0
453.10196	4.6
495.15167	0.9
513.12402	100.0
513.25165	3.3
514.12695	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	513.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60386	0.9
59.01375	62.0
61.98808	3.0
65.43840	0.9
70.67266	3.0
71.01379	6.3
73.02924	1.4
85.02934	2.0
87.00853	1.2
89.02438	3.7
99.00851	1.0
101.02420	5.8
113.02454	6.0
119.03522	2.5
149.04514	1.4
161.04526	2.5
165.12849	13.4
184.18796	1.0
216.11407	1.0
247.20683	5.3
256.62259	1.0
273.18536	5.8
291.19635	100.0
292.20132	6.5
305.21115	1.1
311.27075	1.1
333.20874	4.9
333.24332	0.9
343.78867	0.9
353.96823	1.1
477.15378	1.5
513.27069	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38207	0.0
55.01880	0.3
57.03443	0.2
58.00338	0.1
58.00588	0.2
59.01375	5.5
60.01722	0.0
61.10489	0.0
61.98825	0.1
66.39299	0.0
69.03452	0.1
71.01376	5.2
71.52020	0.0
72.99301	0.3
73.02943	1.0
75.00857	0.0
81.03451	0.1
83.01376	0.6
83.05016	0.2
85.02949	1.2
85.03472	0.1
86.00108	0.1
87.00870	0.6
89.02436	3.4
91.03984	0.2
95.01380	0.3
97.02929	0.2
97.06577	0.0
99.00877	0.3
99.04520	0.1
101.02438	4.3
101.67033	0.0
102.02773	0.0
103.04028	0.1
112.01589	0.0
113.02445	2.0
113.06088	0.0
115.03988	0.2
117.73407	0.0
119.03493	1.1
125.02447	0.2
126.01260	0.0
127.07636	0.3
129.01976	0.0
131.03502	0.1
133.05070	0.4
141.09222	0.1
143.03490	0.5
145.05034	0.1
149.04494	0.1
157.05040	0.2
161.04555	1.6
179.05583	0.6
182.13322	0.0
187.06129	0.0
205.19530	0.1
233.22719	0.4
235.08179	1.2
236.08665	0.0
253.09259	16.5
254.09665	0.4
259.20679	0.4
275.20056	0.3
277.21686	100.0
278.22031	6.3
278.25259	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
57.03437	0.1
58.00599	0.1
59.01374	4.9
60.86824	0.1
68.99808	0.1
70.37049	0.1
70.37389	0.1
71.01376	3.8
72.99312	0.3
73.02949	0.9
83.01383	0.5
83.05028	0.2
85.02943	0.9
87.00853	0.5
89.02438	2.8
91.04025	0.2
95.01385	0.3
97.02955	0.2
99.00878	0.3
101.02436	3.7
103.04000	0.1
113.02445	1.8
114.80308	0.1
115.03976	0.1
119.03497	0.8
125.02463	0.2
127.07652	0.2
131.03502	0.1
133.05022	0.4
143.03519	0.3
144.08052	0.1
149.04578	0.1
157.05084	0.1
161.04549	1.4
179.05605	0.4
182.13121	0.1
205.19525	0.1
217.06979	0.1
233.22781	0.3
235.08202	1.2
253.09258	15.1
254.09747	0.5
259.20593	0.3
275.20087	0.3
277.21686	100.0
278.22028	5.9
291.51547	0.1
313.97485	0.1
513.35999	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	513.358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34556	0.5
59.01376	34.2
61.98835	0.7
67.77524	0.4
68.28726	0.3
71.06412	0.5
71.06761	0.9
75.90285	0.3
75.98109	0.4
87.81786	0.4
96.71968	0.4
191.14401	0.4
405.31778	0.4
418.88828	0.4
433.31015	0.9
435.32458	0.5
441.33444	2.4
449.34213	10.1
450.34622	1.2
453.33417	0.6
465.29932	0.8
479.31897	0.4
481.33371	1.6
483.34781	3.8
484.35098	0.4
495.34760	65.8
496.35114	7.2
506.38574	0.4
513.35791	100.0
514.36127	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	513.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.1
69.92265	1.8
98.19971	0.5
99.10735	0.3
156.80193	0.6
208.53181	0.4
344.55170	0.4
355.46576	0.4
370.96796	0.4
373.28903	0.4
405.31165	0.5
408.51013	0.4
435.32599	0.4
441.33691	0.6
449.34164	6.4
453.33478	1.7
465.29977	0.6
477.21121	0.6
483.34827	1.1
495.34787	32.1
496.35233	2.8
513.35797	100.0
514.36151	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	513.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.5
65.26690	0.2
70.57675	0.4
70.58009	0.2
98.20002	0.2
156.67953	0.2
234.65381	0.2
273.63452	0.2
292.70850	0.2
423.32507	0.5
453.33752	3.7
454.34036	0.4
483.34552	0.3
513.35773	100.0
514.36108	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	514.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.2
60.13708	0.1
61.98825	100.0
69.30502	0.2
69.30836	1.0
88.84269	0.1
98.20652	0.2
168.70877	0.1
185.13683	0.1
193.66533	0.1
257.73624	0.1
366.99301	0.1
491.67227	0.1
514.32721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	40.8
65.03965	3.1
68.79565	1.4
71.01012	2.8
71.01379	38.2
71.51283	2.5
72.99307	4.0
73.02925	3.1
75.00858	5.8
83.01388	2.4
85.02925	8.9
87.00877	5.9
89.02439	42.8
93.03450	4.2
95.01395	1.8
99.00877	7.8
101.02437	19.1
111.00861	4.8
111.04508	2.8
112.98800	15.1
113.02435	14.3
115.00375	3.0
119.03478	15.0
122.44689	1.8
129.01921	3.9
131.03462	3.8
137.02402	3.4
139.04024	3.6
142.99855	13.1
143.03482	4.4
145.01407	2.0
153.05614	3.3
155.03494	4.6
161.04558	11.7
173.00856	10.9
173.04507	7.5
175.02443	2.3
179.05597	29.7
183.06598	7.5
191.05591	7.8
195.65047	1.9
198.25363	1.6
285.74026	1.7
323.13443	2.9
341.10855	100.0
342.11139	5.4
347.92023	2.0
505.59637	1.9
515.06207	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	515.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61458	0.5
52.94591	0.4
57.44357	0.6
57.63463	0.5
59.01381	2.9
61.98819	1.6
67.01900	0.8
69.03448	0.5
69.89540	1.2
69.89954	1.1
71.01386	2.5
73.02936	0.6
74.00040	0.5
81.03417	0.6
85.02946	9.8
87.00866	3.0
89.02467	0.8
93.03448	7.1
96.96024	0.7
98.19997	0.9
99.00854	0.5
99.64635	0.4
101.02438	0.7
105.01952	0.8
109.02931	0.6
111.04500	1.9
113.02416	0.5
114.37022	0.4
117.03472	1.2
121.06452	0.4
122.99709	0.4
127.03993	2.8
132.02173	1.4
133.02965	8.0
135.04503	6.9
137.21861	0.5
139.04012	0.8
144.02994	0.7
160.01620	3.5
161.02429	49.9
162.02777	1.2
173.04539	2.4
179.03484	6.3
191.05597	100.0
192.05891	1.7
252.85609	0.5
303.81516	0.5
323.07693	44.7
324.08075	2.2
341.08658	2.0
353.08261	3.1
358.77579	0.6
380.08966	0.6
394.52380	0.5
515.14026	39.3
516.13940	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	515.1401
Annotation	Racemosic acid
Peak:m/z	Relative Intensity
50.80212	0.4
59.01374	2.7
60.99288	0.5
61.98827	2.0
65.03929	0.5
67.01891	2.8
69.03445	1.1
70.79610	0.8
71.01378	2.8
72.99278	0.5
73.02945	0.7
73.14340	0.3
80.61629	0.3
81.03474	0.9
82.95416	1.0
83.05019	0.7
85.02946	6.5
87.00876	4.7
89.02440	0.8
93.03451	18.3
96.95989	0.3
99.00880	0.4
99.04524	0.4
101.02435	1.1
107.05020	0.4
108.02158	0.7
109.02937	1.3
111.00869	1.4
111.04500	3.3
113.02455	0.9
115.00352	0.4
119.03445	0.6
123.04513	0.6
127.03993	1.4
129.01930	0.8
133.02946	4.0
134.03789	0.5
135.04512	22.0
136.04776	0.6
139.03981	0.6
144.52522	0.4
145.01439	0.9
145.73360	0.4
149.06090	2.1
151.04088	0.3
155.03543	0.5
161.02431	21.4
161.06023	0.6
162.02750	0.6
165.05467	0.7
173.04573	5.2
179.03490	15.8
189.05618	1.2
191.05595	100.0
192.05933	2.5
207.06509	0.8
221.04546	0.6
239.05713	0.4
249.07750	0.4
323.07623	0.9
341.08728	0.5
348.61597	0.4
353.08713	10.5
353.13074	0.5
354.08960	0.5
389.10977	0.9
395.09741	2.3
425.11118	0.5
443.12131	0.4
455.11655	0.5
455.21216	0.6
497.38181	0.5
515.14001	68.8
516.14319	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	515.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48855	0.4
52.34769	0.5
52.65951	0.4
54.77829	0.4
59.01365	3.2
61.98828	0.9
67.01878	0.4
69.67707	2.4
70.14572	0.4
71.01362	2.5
83.01390	0.6
85.02950	11.6
87.00872	2.1
89.03963	0.6
93.03452	5.6
98.20578	0.6
101.47593	0.6
105.03424	1.2
108.02113	0.5
109.02946	1.0
111.00852	1.3
111.04504	1.5
113.02407	0.6
114.05592	1.0
115.05939	0.7
117.03508	0.7
121.02962	1.4
127.04018	1.8
132.02179	1.6
133.02950	10.9
135.04518	3.6
145.02873	0.6
156.06601	1.2
160.01648	2.6
161.02428	55.8
162.02739	1.2
171.02939	0.9
173.04477	1.8
177.01912	15.9
179.03471	4.4
191.05595	100.0
192.05928	1.9
220.42223	0.5
323.07690	39.1
324.08093	1.7
337.09128	1.5
341.08652	1.7
353.08743	3.6
364.24323	0.5
445.26392	0.7
447.23761	0.5
447.83105	0.5
515.13940	48.9
516.14197	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	515.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	30.1
61.98846	1.2
71.01385	1.8
82.04214	0.5
84.90098	0.6
85.02937	0.7
86.56615	0.5
89.02441	0.8
91.05117	0.6
95.01398	0.9
101.02434	1.5
106.79752	0.5
113.02436	4.2
119.03453	0.7
161.04523	0.6
195.13887	5.5
211.13470	0.5
223.13387	4.4
256.13312	0.8
275.20099	3.5
286.77408	0.6
293.21198	100.0
294.21536	6.2
307.56564	0.6
314.66122	0.5
317.21039	1.5
330.55289	0.5
335.22379	0.7
347.21835	0.6
471.35178	1.1
515.33392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	1.4
69.19794	4.5
82.58176	0.4
103.39808	0.5
106.04227	1.2
107.04989	1.1
128.02426	0.4
133.96411	0.5
159.78938	0.5
163.11275	33.8
163.64156	0.5
164.11617	0.9
175.11263	1.7
176.12036	1.1
177.09149	0.5
177.12842	4.4
190.09869	0.9
197.85699	0.5
208.11055	3.7
234.66443	0.5
267.13815	0.5
281.15417	2.0
282.16232	5.0
283.13943	0.6
283.16998	7.2
293.15439	2.3
295.16891	0.8
323.44409	0.5
339.23236	100.0
340.23633	7.4
351.23264	7.0
352.23645	0.6
515.35260	86.7
516.35608	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	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04383	5.9
51.76057	5.1
59.01362	5.2
61.98820	13.5
63.80280	6.6
71.51197	6.1
81.73161	4.7
105.20364	5.0
108.54264	6.4
131.31445	4.9
192.24963	5.4
222.45995	5.2
324.12833	5.7
455.35266	100.0
456.35388	15.9
515.30768	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44286	0.4
56.30705	0.3
59.01375	0.9
61.98823	1.2
65.84908	0.4
67.40492	0.3
98.19880	1.0
115.73798	0.4
118.88639	0.4
119.29672	0.3
143.13251	0.4
278.54474	0.4
300.57993	0.4
467.34991	0.6
469.36612	0.6
513.35846	1.8
515.37366	100.0
516.37726	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	515.3737
Annotation	3beta-Acetoxy-11alpha,13beta-dihydroxyolean-12-one
Peak:m/z	Relative Intensity
50.26629	0.5
57.03432	2.1
59.01367	1.3
61.98827	0.9
70.23728	0.5
71.05753	1.0
80.26161	0.5
84.86065	0.6
114.42593	0.5
135.82014	0.6
136.08099	0.5
193.61989	0.5
284.45731	0.5
447.96652	0.6
455.35397	1.7
515.37341	100.0
516.37671	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	516.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68607	0.3
59.01071	0.6
59.01373	11.9
61.55107	0.4
61.98824	100.0
71.01358	1.9
73.02943	1.0
75.00900	0.4
83.01372	0.5
85.02943	0.6
89.02438	0.9
101.02444	1.5
113.02427	1.0
117.43281	0.4
119.03477	0.7
121.02945	59.9
122.03273	1.5
172.36121	0.4
187.11290	0.5
203.10593	0.5
205.12347	2.9
207.00424	0.4
229.43793	0.4
230.46028	0.3
281.87173	0.4
333.05658	0.4
516.28943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33961	0.2
56.44507	0.2
59.01381	1.1
60.28733	0.2
61.98826	100.0
71.01376	0.2
83.01385	1.4
93.80770	0.2
96.93037	0.2
98.20663	0.5
101.02474	0.2
111.58817	0.2
125.53396	0.2
136.05307	0.5
140.11266	0.2
160.90488	0.2
168.04343	0.2
173.06033	0.4
188.04814	0.2
189.05492	0.3
199.07755	0.2
217.08746	0.4
330.13620	0.2
424.15396	0.4
453.19135	4.4
453.25073	0.3
454.19547	0.2
516.28778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86581	0.5
50.96127	0.4
57.03448	0.5
59.01374	10.7
61.95102	0.5
61.98828	100.0
70.62025	1.7
71.01380	4.0
73.02920	1.1
81.19212	0.5
83.01397	0.8
85.02954	1.6
87.00874	1.1
87.04514	0.9
89.02467	0.9
95.71907	0.5
101.01881	0.5
101.02415	2.5
113.02414	1.1
116.92879	0.6
157.15662	0.5
191.05617	0.7
223.16965	3.1
224.17279	2.0
293.21091	0.9
293.37039	0.5
311.22202	2.6
312.22693	1.8
455.26257	0.9
456.26553	1.4
473.27365	2.3
474.27829	3.5
515.28436	7.2
516.28870	23.2
517.14490	1.2
517.29486	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	516.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86581	0.5
50.96127	0.4
57.03448	0.5
59.01374	10.7
61.95102	0.5
61.98828	100.0
70.62025	1.7
71.01380	4.0
73.02920	1.1
81.19212	0.5
83.01397	0.8
85.02954	1.6
87.00874	1.1
87.04514	0.9
89.02467	0.9
95.71907	0.5
101.01881	0.5
101.02415	2.5
113.02414	1.1
116.92879	0.6
157.15662	0.5
191.05617	0.7
223.16965	3.1
224.17279	2.0
293.21091	0.9
293.37039	0.5
311.22202	2.6
312.22693	1.8
455.26257	0.9
456.26553	1.4
473.27365	2.3
474.27829	3.5
515.28436	7.2
516.28870	23.2
517.14490	1.2
517.29486	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	516.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.3
60.06292	0.3
61.98825	100.0
70.84082	0.7
71.01391	0.3
85.69066	0.3
107.47648	0.3
146.71404	0.2
185.17834	0.2
204.09456	0.3
286.15372	0.3
309.00952	0.3
516.33820	0.4
517.32959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	61.5
61.62735	0.3
64.76663	0.3
69.34068	2.6
75.65247	0.3
90.97116	1.6
118.96678	0.5
126.01526	0.3
132.98192	2.0
156.99814	0.7
157.03545	0.9
174.99226	27.6
175.99643	0.4
182.66962	0.3
201.02510	7.1
202.02684	0.7
217.00269	100.0
218.00513	2.0
359.01425	13.7
360.01624	1.3
374.99173	59.7
375.99475	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1193
Annotation	Siphonodictyal B3
Peak:m/z	Relative Intensity
51.24319	0.3
56.32368	0.4
59.01366	1.3
61.98833	0.9
65.00315	0.5
65.03947	0.9
70.77332	0.4
71.01382	1.6
73.17074	0.4
78.35606	0.4
83.01382	1.5
85.02934	0.6
87.00877	1.0
89.02412	0.5
90.30477	0.4
93.03479	0.5
95.01392	1.0
97.02942	0.4
99.00867	0.7
101.02442	0.5
111.00872	1.6
113.02419	0.6
119.05018	0.5
123.00841	2.6
124.00853	0.7
124.01658	6.7
125.02463	2.0
127.00371	0.8
133.02948	0.5
135.04626	0.4
137.02425	0.6
139.00366	1.9
139.04015	1.8
141.01938	0.7
144.04539	1.4
145.01398	1.9
145.04906	0.6
151.00356	6.1
151.03909	0.5
152.01138	56.1
153.01604	1.0
160.01678	0.8
161.02419	0.8
163.00327	1.5
165.01907	1.6
165.05566	0.6
175.03867	0.9
175.06139	1.2
177.01965	0.5
178.98242	0.8
178.99850	15.8
180.00386	1.2
183.02818	0.5
183.06552	1.7
188.03511	0.9
191.05673	1.3
193.01361	2.3
193.05069	0.5
207.02917	0.8
208.00104	46.5
209.00867	4.9
223.02470	0.9
235.02512	0.5
235.05977	0.5
241.04948	1.0
261.07605	0.5
271.09717	1.2
291.08618	1.0
319.11816	1.2
393.95779	0.4
443.11850	0.8
471.10980	0.5
517.11871	100.0
518.12250	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	517.1555
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
52.58314	1.0
55.01884	1.3
59.01375	20.6
61.98825	16.2
62.69023	1.5
65.03973	2.8
69.03436	1.8
71.01375	16.4
71.51637	2.1
73.02939	2.9
75.00863	1.5
83.01380	2.8
85.02972	7.6
87.00879	7.3
88.04039	1.3
88.22752	1.3
89.02454	10.4
89.41206	1.3
93.03461	3.0
95.01378	2.1
97.02905	1.3
99.00882	3.2
99.61278	1.4
101.02421	8.0
108.02158	3.3
108.71197	1.3
109.02909	1.8
111.00911	1.3
113.02450	6.7
117.01946	1.4
117.03483	4.2
118.98065	1.3
119.03512	4.0
119.05003	3.8
120.24084	1.3
121.06625	2.1
123.04550	2.7
125.02417	2.8
128.90189	1.7
131.03491	1.8
132.02161	15.5
133.01343	1.2
133.02943	5.1
134.03725	42.7
135.04471	4.6
137.02393	2.2
139.04001	4.1
141.01952	1.3
141.79460	1.1
143.03490	2.0
145.01419	5.6
145.02919	5.6
147.04512	2.5
148.05179	2.1
149.02443	1.2
149.04558	1.5
149.06076	9.5
151.04027	1.7
158.03784	1.2
159.02998	3.2
159.42625	1.2
160.01646	76.0
161.02463	7.1
161.04521	7.1
161.53572	1.3
163.03989	4.8
165.05513	3.2
167.03477	6.7
173.04622	1.4
173.06042	2.3
175.03987	88.4
176.04791	13.5
177.01878	4.4
178.02625	4.5
179.03462	2.6
179.05618	7.9
183.06651	3.1
191.05568	9.0
191.07141	17.2
192.04451	1.6
192.06044	2.1
193.05031	63.9
194.05359	2.6
203.03496	2.0
205.05121	2.2
207.06621	6.3
217.05002	1.5
220.03743	3.0
235.06102	53.3
236.06500	3.7
243.99843	1.5
265.07196	11.3
295.08286	13.5
319.14093	1.5
323.09927	1.5
337.09201	5.8
355.10443	9.6
389.11063	2.1
429.17734	1.7
429.70615	1.2
517.15594	100.0
518.15747	7.8
541.01447	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.4
59.01377	100.0
60.01707	0.9
61.98832	6.0
71.00639	0.7
71.01377	3.8
73.02949	2.2
76.36057	0.4
83.01389	0.5
85.02953	1.0
87.00886	0.6
89.02428	3.3
95.01387	0.6
95.36065	0.4
96.96008	7.6
99.00903	0.3
101.02449	3.7
113.02448	4.2
119.03524	1.4
131.03474	0.4
135.04532	0.8
143.03473	0.6
148.99213	0.3
149.04492	0.5
161.02446	0.6
161.04515	2.3
179.05650	0.6
183.10374	0.4
337.08212	0.3
397.22321	2.6
415.23514	1.5
457.24350	1.3
538.60864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78155	0.3
52.86097	0.3
53.20851	0.3
59.01376	100.0
60.01702	0.7
61.98836	1.8
69.45559	2.3
71.01382	5.7
73.02945	4.2
81.39678	0.3
83.01390	1.5
85.02951	0.8
87.00893	0.5
89.02437	2.8
95.01372	0.5
98.19926	0.6
101.02435	4.7
113.02452	4.7
119.03484	1.7
131.03528	0.7
143.03487	0.7
149.04538	0.7
161.04561	2.7
165.75566	0.3
179.05617	0.9
221.06781	0.4
307.06168	0.7
337.10818	0.6
397.22308	3.0
415.23410	1.3
434.97079	0.4
453.90506	0.3
457.24567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98824	4.8
71.52680	0.9
71.53103	1.1
74.02242	1.0
76.77386	1.1
129.89348	1.0
131.58717	1.1
234.84886	1.0
254.50198	1.2
441.23453	1.0
517.32050	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	518.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16371	0.6
55.01873	0.7
58.01529	0.6
59.01377	7.7
61.98827	100.0
69.20516	1.5
69.20943	4.1
71.01376	6.1
73.02942	2.4
83.01393	0.8
85.02956	2.0
87.00889	1.1
89.02427	4.6
93.03438	0.6
95.01396	1.0
97.54028	0.7
98.19920	1.3
99.00888	1.9
101.02434	5.3
107.01399	1.6
109.02943	13.6
111.00880	0.8
111.04495	0.8
113.02449	2.9
116.92849	1.4
119.03546	0.9
123.00910	0.7
125.02430	0.8
134.03764	0.9
135.00906	1.1
135.04480	0.8
137.02461	0.7
149.04568	1.7
151.03899	0.6
152.01140	1.6
153.01932	35.3
154.02255	0.7
157.08754	0.7
161.04558	1.3
163.04126	0.8
164.04729	1.2
165.05540	0.8
175.00417	1.0
175.03992	1.7
176.04373	1.1
190.02687	3.1
191.05525	0.9
193.05070	1.7
195.03020	3.0
205.05014	2.8
215.21629	0.7
223.06062	1.8
255.05055	4.0
269.73978	0.6
384.46219	0.6
389.10983	0.8
430.17838	0.7
455.15546	99.9
456.15857	6.6
519.16876	3.9
519.24677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01376	42.6
61.98825	100.0
71.01373	7.5
73.02941	7.1
83.01372	2.9
85.02972	1.1
89.02451	1.2
96.96001	5.2
98.19843	0.7
101.02444	7.2
113.02438	2.5
119.03504	0.8
125.02445	0.7
131.03543	0.6
135.04561	0.5
143.03532	0.6
143.83981	0.3
149.04620	0.9
161.04547	2.9
189.12943	0.5
192.11577	0.7
203.05597	4.0
207.13864	9.4
208.14168	0.4
221.06715	0.7
357.13245	2.1
405.32449	0.5
430.81363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85373	0.2
58.00601	0.4
59.01375	29.6
60.01722	0.3
61.83121	0.2
61.98825	100.0
69.39283	0.5
69.39689	1.2
71.01374	5.3
73.02940	4.3
75.00924	0.2
76.56489	0.2
83.01379	1.8
85.02937	1.1
87.00881	0.4
89.02437	2.5
95.01377	0.4
98.19934	0.3
101.01802	0.3
101.02441	5.7
113.02435	3.2
119.03488	1.1
125.02400	0.3
131.03453	0.5
143.03464	0.5
149.04498	0.5
160.84222	0.3
161.04533	1.6
179.05379	0.2
207.13844	0.4
221.06541	0.3
277.52679	0.2
351.18045	2.2
357.13129	0.7
369.19116	3.6
370.19119	0.2
409.05185	0.2
411.20206	8.0
412.20081	0.7
433.94443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73760	0.5
57.03440	0.5
58.00577	0.5
59.01377	47.7
61.98829	100.0
69.51933	3.7
71.01380	9.5
71.10669	0.5
73.02945	12.4
83.01380	13.8
85.02968	1.7
89.02450	3.7
101.02439	17.6
101.03113	0.9
113.02442	7.1
116.92846	1.2
119.03513	2.8
121.02993	0.9
122.03753	1.5
123.04590	0.7
131.03529	2.0
136.31006	0.5
137.06123	1.0
137.09688	2.7
143.03525	1.9
147.04459	0.8
149.04535	3.4
161.04544	7.9
162.06834	0.7
169.21866	0.6
179.05670	0.7
180.01291	0.5
189.12833	0.8
221.06700	2.0
221.08580	0.7
245.05310	0.5
322.44159	0.6
357.13403	21.2
411.20605	0.7
421.39005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	25.8
59.08362	0.3
59.36026	0.3
60.01699	0.3
61.98826	100.0
71.01379	3.5
73.02937	3.4
83.01395	1.1
85.02956	0.8
89.02444	1.8
95.01359	0.4
96.02347	0.3
101.02435	3.7
113.02447	2.4
113.73151	0.3
119.03542	0.7
149.04529	0.6
161.04576	1.1
179.05640	0.5
357.13464	0.5
369.19449	0.9
411.20096	1.5
419.02884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87418	0.2
53.04718	0.2
53.17638	0.2
59.01374	1.7
61.98825	100.0
62.67776	0.2
69.94128	0.9
83.01414	0.2
269.18970	0.2
287.20093	0.3
315.19583	1.6
357.13541	0.3
433.13770	0.2
459.23718	1.1
477.25156	1.0
519.26062	1.3
519.33441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.5
61.98826	100.0
63.75154	0.4
71.01388	2.0
71.34928	0.7
73.02904	0.5
85.02950	0.8
89.02446	1.0
96.60490	0.5
99.00882	0.5
101.02449	1.1
113.02461	0.6
118.05195	0.4
119.03521	0.5
158.47220	0.5
160.84274	0.5
275.20135	0.5
287.20297	1.2
293.21326	1.5
294.21680	0.5
315.19623	3.9
316.91241	0.4
357.13443	0.7
404.61523	0.6
455.26440	14.6
455.32571	0.8
456.27011	1.2
518.15540	0.6
518.33337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
57.03424	2.8
59.01377	100.0
60.01702	3.4
61.01788	1.2
61.98498	1.1
61.98829	49.2
65.03960	60.2
67.01865	1.1
68.99806	2.5
69.03457	18.0
69.37186	7.6
71.01379	38.5
72.01737	1.1
72.99297	2.0
73.02939	16.2
81.03435	1.6
83.01384	16.4
85.02943	15.1
87.00863	3.2
89.02445	13.7
90.02718	1.0
93.03449	9.6
95.01387	3.0
95.05032	5.9
97.02940	3.2
99.00884	7.0
101.02439	27.7
103.05517	4.0
106.04185	2.3
107.05005	3.9
109.02938	1.2
111.00889	3.0
112.01652	1.0
113.01717	1.8
113.02441	19.0
114.02765	0.9
115.05497	1.5
115.30932	1.0
116.92871	1.1
119.03475	2.8
119.05022	8.0
121.02933	3.3
121.06595	32.5
122.00596	0.9
122.03759	1.9
123.04454	1.2
123.08164	1.0
125.02421	4.5
131.05035	2.8
133.06535	2.0
135.04518	1.0
136.01663	4.8
137.02443	1.2
137.06070	4.1
139.04007	71.2
139.07622	1.6
140.04272	1.1
143.03484	3.3
143.04819	1.1
145.06554	1.2
147.04510	99.0
148.04837	2.0
149.02400	1.2
151.04001	8.6
151.10805	1.1
151.44846	0.9
159.02950	2.2
161.02444	1.7
161.04533	12.5
161.06050	24.9
162.04810	1.1
163.07704	1.6
165.05565	47.8
166.05867	2.0
179.05635	2.2
183.06610	62.0
184.06935	2.4
185.11775	2.5
185.73425	1.1
189.05524	5.7
207.06537	2.7
209.04526	14.7
221.06773	1.2
225.07483	1.5
227.05547	4.7
293.08899	1.2
298.03418	1.3
315.18555	3.9
327.10788	16.7
342.10843	2.1
349.69110	1.0
357.09320	2.0
357.13422	26.6
358.13596	1.3
371.09970	3.8
398.22208	1.3
399.23724	3.9
417.24817	3.6
418.24023	1.3
459.22293	4.4
459.29370	2.9
471.63412	1.1
473.68338	1.0
475.16068	46.5
476.16486	1.9
477.16553	1.6
477.23465	23.3
477.30173	2.3
478.23566	2.5
489.17990	2.8
519.14594	23.2
519.25104	2.2
519.31689	2.5
520.14966	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1658
Annotation	Schisantherin D
Peak:m/z	Relative Intensity
54.35274	0.3
59.01377	7.7
61.98826	4.0
63.85403	0.3
69.46513	0.7
69.46920	2.3
71.01377	2.2
73.02934	1.0
83.01384	1.1
85.02917	0.8
98.19807	0.5
101.02439	1.2
107.67799	0.3
108.02172	2.3
109.02237	0.7
109.02946	10.0
109.03695	0.5
111.00845	0.3
113.02449	0.7
117.03486	0.6
119.04972	0.6
121.02936	1.0
122.03725	0.5
123.04527	0.6
124.01624	0.5
133.02911	0.6
134.03719	0.6
135.04567	1.7
136.01634	3.5
137.02461	2.5
145.02954	0.5
146.03677	0.5
147.04422	0.4
148.05257	0.5
149.02501	0.3
151.03998	4.0
155.04996	0.5
159.04488	0.4
160.84218	0.3
161.02446	3.9
161.04883	0.4
161.06052	2.9
162.03236	1.7
162.83897	0.4
163.04002	1.9
163.07613	0.4
171.04408	0.4
172.05232	0.5
173.06067	3.4
175.03972	0.8
176.04704	0.9
177.05528	2.6
187.04015	0.6
188.04733	0.4
189.05588	1.2
190.06306	0.3
191.07121	1.3
198.03258	0.4
199.03975	0.7
201.05518	1.3
211.03830	0.5
213.05507	0.6
214.06279	1.0
225.05634	0.5
226.02750	0.8
227.03499	2.5
227.07106	3.5
228.04181	1.1
229.04950	1.7
239.07100	0.4
241.05019	1.3
242.05835	1.7
243.06468	0.5
251.06897	0.4
253.04947	0.8
254.05714	0.5
255.03021	0.7
255.06505	1.6
256.03738	1.6
256.07510	0.9
257.04544	1.8
265.04974	0.5
266.05984	0.3
267.06555	0.8
269.04492	0.7
270.05215	0.7
271.06107	2.3
271.19095	1.3
277.04868	0.4
279.06723	0.4
281.04547	0.7
281.08069	0.4
282.05493	0.6
283.06049	1.5
283.08939	0.4
285.07614	1.0
287.20129	0.4
295.06198	0.5
296.06906	0.4
297.03979	2.4
297.07568	0.9
297.18591	0.5
309.07495	0.4
310.08444	0.9
311.05692	0.7
311.09232	0.7
312.06332	1.1
313.07141	2.0
315.19525	1.4
320.00720	0.4
323.09106	0.5
325.10657	0.6
327.08737	2.4
337.07132	1.0
352.09586	0.5
353.10107	0.9
357.13455	2.4
368.12558	1.5
383.15063	0.8
384.15570	0.4
402.10852	0.5
416.12482	0.5
417.13330	1.1
419.11224	1.0
432.12021	0.4
433.12762	0.4
434.13773	2.1
441.09525	0.5
444.11978	1.0
444.18887	0.7
445.12869	0.5
446.09808	0.8
447.09482	0.5
447.15506	1.7
457.12900	0.6
459.14441	1.3
459.23813	0.8
459.29645	0.4
461.12268	2.9
462.13181	17.6
463.13550	1.1
471.14383	1.0
474.12735	0.4
477.15500	20.2
478.15820	1.7
486.13260	0.8
487.13757	0.8
488.17703	0.6
489.16400	2.3
501.15381	0.8
503.13281	0.7
504.14154	1.7
512.77985	0.4
519.16534	100.0
520.16846	9.2
543.66010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06741	1.2
57.03448	1.5
57.19941	1.3
58.00586	2.2
59.01381	47.6
60.52202	1.3
61.98828	17.3
65.03970	2.8
69.03431	2.1
71.01383	37.4
71.53039	1.7
72.99318	3.0
73.02958	9.9
75.00869	4.4
83.01373	1.9
85.02951	9.9
87.00847	2.7
89.02438	34.4
95.01368	1.7
97.02938	1.7
97.36681	1.3
99.00892	9.2
101.02440	21.1
107.76815	1.3
109.02956	2.4
113.02451	8.9
115.03990	1.5
119.01381	2.7
119.03479	3.7
121.02950	2.7
121.06557	2.3
123.08164	8.4
125.02414	5.7
131.03520	6.5
133.02930	4.1
134.03780	1.7
135.04514	5.7
135.08533	1.3
137.02544	1.4
137.09700	1.7
139.03981	5.3
147.00900	2.3
147.04587	2.5
147.06601	5.6
149.02444	23.4
149.04520	12.6
151.06122	4.4
161.02455	20.4
161.04451	7.7
163.04085	2.2
163.11325	6.9
164.04797	27.0
165.05496	2.4
175.00362	19.6
179.03456	1.3
179.05615	2.4
179.07111	4.7
183.06590	3.8
189.12828	4.9
190.02707	68.5
191.03299	4.1
191.05582	5.2
205.05046	73.2
206.05620	5.7
207.13870	5.2
209.04495	2.5
221.08162	4.5
223.06105	49.3
224.06500	1.4
225.14961	1.6
233.06619	3.5
237.07613	2.0
265.07196	20.8
288.20700	1.3
293.08713	4.2
295.07993	3.3
325.09094	3.2
327.12125	2.0
345.11542	1.3
371.09927	1.8
387.19894	2.8
389.10971	3.0
403.12360	2.0
431.76718	1.5
447.11066	1.9
459.13876	1.7
483.18890	16.4
488.51303	1.3
519.17072	100.0
519.24371	36.1
520.17395	6.7
520.24719	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46627	0.7
55.01886	0.8
57.03447	1.1
57.27748	0.8
58.00571	1.5
59.01377	37.6
61.98832	10.8
65.03953	2.5
69.03448	1.3
69.27499	1.8
69.27897	6.4
71.01379	29.9
72.99313	1.5
73.02950	8.3
75.00855	2.7
83.01369	1.9
85.02950	7.8
87.00854	2.4
89.02441	31.0
91.01895	0.8
95.01387	1.5
95.37888	0.8
95.73518	0.8
97.02942	2.3
99.00881	8.0
101.02435	18.3
109.02882	1.0
113.02452	10.1
117.02003	0.9
119.01389	3.1
119.03535	4.2
119.05017	0.8
120.78417	0.8
121.02918	2.6
121.06604	1.3
123.00896	0.7
123.08136	3.4
125.02429	2.5
127.03976	0.8
131.03490	6.6
131.21492	0.8
132.02045	0.8
133.02910	3.1
134.03784	1.1
135.04495	2.5
137.09697	1.2
138.16528	0.8
139.03975	3.4
143.03482	2.1
147.00838	2.5
147.04485	1.6
147.06615	4.2
149.01288	1.4
149.02463	20.3
149.04526	18.5
151.06097	3.2
152.01173	1.0
161.02443	12.9
161.04524	3.5
163.03976	2.7
163.11230	2.5
164.04784	24.5
165.05511	2.6
175.00349	20.9
177.05568	1.0
179.03459	1.8
179.05652	1.5
179.07104	3.8
180.24397	0.8
183.06543	2.3
189.12877	1.8
190.02704	66.5
191.03282	3.5
191.05554	5.0
203.06985	1.0
205.05037	66.1
206.05643	4.4
207.02942	0.9
207.13882	1.1
208.03697	2.5
209.04651	1.8
221.08229	5.7
223.06099	46.7
224.06337	1.5
233.06610	1.9
237.07570	2.7
250.04828	1.1
251.07712	1.4
265.07129	19.1
271.23709	0.8
275.10022	0.8
293.08755	2.8
295.08179	2.9
325.09085	4.6
327.11240	0.8
345.11783	1.0
367.10257	1.9
371.09528	1.4
385.11166	1.5
387.20035	1.6
389.10931	3.0
447.11093	1.5
483.18753	9.2
519.17041	100.0
519.24329	21.7
520.17426	5.9
520.24744	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.7
59.01375	0.4
64.64754	0.3
68.29203	0.3
69.23861	2.9
69.24270	0.8
70.03788	0.3
71.01378	0.8
83.01382	50.4
94.22771	0.3
109.02956	0.4
121.02943	6.7
122.03730	13.7
123.04553	3.4
135.04468	0.5
136.05295	3.2
137.06071	7.7
147.04512	4.2
149.06001	0.6
154.02672	0.6
161.06035	2.1
162.06834	1.1
168.04266	0.6
191.29987	0.4
204.04153	0.4
204.45978	0.3
206.05865	0.4
209.08139	1.9
221.08174	3.2
222.08569	0.4
255.84415	0.4
298.12073	0.4
308.11145	0.3
313.14410	0.9
342.11060	4.1
357.13397	100.0
358.13727	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	519.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03447	0.2
59.01376	1.9
61.98825	3.3
67.01891	0.2
68.99820	0.1
69.03454	0.2
69.62315	0.6
71.01377	5.0
73.02936	1.6
75.00877	0.1
83.01411	0.6
84.02154	0.3
84.23283	0.1
85.02944	2.8
87.00900	0.1
89.02450	0.3
92.02650	0.1
93.03446	0.9
95.01384	0.7
96.13031	0.1
97.02977	0.3
99.00851	0.6
101.02436	2.5
107.03696	0.1
107.05069	0.1
108.02155	1.4
109.02942	1.1
111.00868	0.2
113.02441	2.0
117.03484	0.2
119.04998	0.1
121.02946	6.7
122.03733	3.8
123.00862	1.2
123.04508	0.5
124.01653	1.2
125.02448	0.2
133.02962	0.3
134.03723	1.3
135.04532	0.9
136.01649	72.9
137.02490	4.4
138.03175	0.4
142.29822	0.1
143.03540	0.2
145.02898	0.1
145.06580	0.2
147.04524	0.5
149.02446	0.2
149.06068	0.5
150.03232	0.3
151.03993	90.9
152.01157	0.2
152.04320	2.1
153.01942	0.3
154.02690	0.3
158.03752	0.2
159.02998	0.4
159.04501	0.8
160.05272	1.5
161.02477	0.7
161.04546	2.3
161.06012	0.4
162.03209	1.7
163.03989	3.8
164.04747	0.3
173.06090	0.2
175.03973	1.1
175.07593	1.1
176.04759	0.4
177.05548	2.1
179.03464	1.3
180.04277	0.2
187.04013	0.5
188.04747	0.3
189.05571	0.8
190.06311	0.3
191.07118	0.2
193.05035	0.4
194.53777	0.1
203.07224	0.4
231.86313	0.1
241.05075	0.4
251.06937	0.1
256.07309	0.3
266.05823	0.2
267.06598	0.5
268.94012	0.1
279.06512	0.1
281.08228	0.3
282.08981	0.3
294.05560	0.1
296.10474	0.3
297.07669	0.3
297.11252	0.3
311.12924	0.6
324.09964	0.2
327.08969	0.6
327.12143	0.2
341.10162	0.4
342.11029	14.2
343.11423	0.8
351.82083	0.1
353.10303	0.5
357.13379	100.0
358.13727	6.8
371.11356	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	519.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43356	0.7
53.00293	0.7
55.01879	6.8
57.03450	4.7
58.00595	1.4
59.01376	100.0
60.15037	0.7
61.98826	14.5
63.86280	0.7
65.88606	0.7
67.01881	0.7
67.74229	0.8
68.99809	0.8
69.03461	0.9
71.01378	80.1
71.53194	0.9
72.99315	2.7
73.02941	26.8
75.00895	2.1
83.01381	15.2
85.02946	36.7
87.00881	5.8
89.02444	11.5
95.01390	6.0
97.02970	3.9
99.00875	11.2
99.04542	0.9
101.02438	60.8
102.02829	1.0
104.94682	0.9
105.01917	1.4
111.00905	1.7
113.02448	38.2
119.03510	3.4
125.02431	4.0
129.01959	2.8
131.03502	1.4
143.03520	5.8
147.03020	1.6
156.45277	0.7
159.02998	8.2
161.04539	29.7
179.05615	1.4
221.06622	1.9
244.18279	0.7
281.08176	6.5
297.07825	0.8
297.11276	1.7
297.17041	1.1
315.18082	12.0
315.96796	0.7
341.10272	6.5
357.13580	5.0
357.18927	4.4
371.11328	10.8
372.11588	0.9
399.23804	2.8
417.24973	1.9
459.22510	2.7
477.23383	67.3
478.23785	3.6
519.15845	2.4
519.24396	45.3
520.24548	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	519.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98812	5.2
69.29520	17.0
71.01378	33.0
73.02937	16.2
74.85649	1.8
83.01382	5.1
85.02946	13.2
87.00893	2.4
87.04533	3.7
88.98873	2.4
89.02435	19.2
95.01388	3.4
99.00903	4.5
101.02448	19.3
102.83487	1.9
113.02455	32.2
119.03471	6.5
119.05016	3.1
125.02427	5.5
133.02972	2.2
143.03494	3.3
145.02960	10.9
149.06169	2.1
150.03142	3.0
161.02440	4.3
161.04529	9.1
163.03955	2.1
179.05637	5.2
185.11848	4.3
307.08429	2.5
375.53656	2.2
415.23376	44.7
416.23697	2.8
433.24289	6.7
444.78714	2.4
457.15869	2.1
475.25162	4.6
507.72791	2.2
519.25671	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	1.2
59.01377	100.0
61.98826	1.7
69.03457	2.3
69.23505	11.5
71.01378	31.8
72.99303	2.3
73.02944	54.0
83.01379	14.6
85.02959	4.7
87.00856	2.5
88.74113	1.2
89.02441	7.4
93.73790	1.1
95.01395	2.6
101.02437	48.6
101.03111	2.6
103.03970	1.1
113.02448	22.4
119.03484	4.6
123.97221	1.2
125.02438	1.3
131.03503	4.8
131.95576	1.2
140.26350	1.1
143.03490	4.7
149.04547	7.3
159.04413	1.5
161.04527	17.3
179.05611	1.3
203.28160	1.1
221.06541	1.9
233.54684	1.3
269.08267	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2593
Annotation	2alpha-hydroxytaxusin
Peak:m/z	Relative Intensity
50.03454	0.7
55.01857	0.8
57.03440	1.8
59.01375	58.4
61.98830	4.6
71.01379	18.2
71.01741	0.7
71.52251	0.7
72.99281	1.6
73.02938	9.1
75.60831	0.7
78.95895	0.9
82.39867	0.7
83.01374	7.6
85.02944	8.9
87.00868	1.0
89.02423	4.0
95.01379	1.1
99.00845	1.5
101.02447	8.9
109.02928	3.7
113.02459	6.6
119.03527	0.7
120.03881	0.7
121.02920	1.3
122.03699	1.0
123.04538	0.9
135.04491	1.4
136.01627	1.7
137.02419	0.8
137.06038	0.7
137.37440	0.7
149.04582	0.8
151.03961	1.8
160.84270	1.9
161.02467	1.8
161.04517	1.6
161.05891	1.1
162.03294	0.6
162.83919	3.9
163.03969	0.9
173.06003	1.7
185.11816	1.3
199.11200	1.1
227.03456	1.7
269.19098	8.7
271.16223	1.2
271.19128	18.4
272.19449	1.1
285.18582	9.1
287.20148	30.5
288.20660	1.4
288.58209	0.8
295.19211	1.2
297.18515	4.9
315.19595	89.3
316.19882	4.6
327.08630	1.2
328.18814	0.7
331.18933	1.1
331.53574	0.8
339.19571	2.1
357.13409	10.3
415.26892	1.0
422.08780	0.7
444.19110	1.1
459.23810	54.8
460.23932	4.9
462.13083	3.5
477.15704	6.5
477.24893	40.1
477.30353	1.3
478.25116	2.8
519.16541	27.6
519.25842	100.0
519.32178	5.0
519.70740	1.2
520.16888	3.3
520.26117	9.5
520.33289	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2593
Annotation	2alpha-hydroxytaxusin
Peak:m/z	Relative Intensity
55.01859	1.6
57.03434	1.1
59.01377	34.2
61.98804	0.7
69.03439	0.7
69.13866	5.0
69.14278	1.1
71.01375	13.2
73.02940	8.2
81.33033	0.4
83.01380	16.1
83.24555	0.5
85.02951	6.1
87.00414	0.7
89.02434	1.7
93.03445	0.8
95.01361	1.6
95.16471	0.5
99.00873	1.0
101.02431	6.4
113.02434	3.7
121.02950	9.7
122.03765	2.7
123.00896	1.6
123.04479	0.5
135.04550	0.7
136.04327	0.9
136.05292	9.9
137.02321	0.5
137.06013	0.7
138.03247	1.1
168.04248	2.5
171.04488	0.7
172.05232	1.0
183.04550	0.6
185.09784	0.6
195.47781	0.5
197.06065	1.9
198.06766	0.7
201.12801	0.5
209.06064	1.2
210.06860	0.6
211.03960	1.4
211.84006	0.5
213.05441	0.6
225.05573	7.3
225.09106	0.9
226.06316	3.9
237.05573	2.4
239.03380	1.2
239.07147	0.6
240.04237	1.4
241.08583	2.8
253.05043	8.4
254.05844	9.3
255.06566	3.1
267.06622	1.4
268.07486	3.3
269.08160	31.4
269.19095	7.6
270.08615	2.7
283.09702	6.3
285.18567	13.8
286.18961	0.6
287.20142	100.0
288.20474	7.3
293.08185	1.6
294.08881	2.6
297.18579	5.0
308.10672	0.7
315.19614	99.3
316.19958	5.9
319.30197	0.6
323.12662	0.8
337.07214	1.1
338.07843	3.0
352.09573	1.2
353.10150	0.6
357.13260	1.3
367.11935	1.8
407.29691	0.7
428.13141	0.6
445.16660	0.8
459.23846	38.1
460.23926	3.5
461.16183	0.7
474.13004	0.9
477.24872	42.3
478.25290	4.0
485.32693	9.0
486.33057	1.1
489.15479	11.7
490.15875	1.3
504.17902	13.5
505.18365	1.4
519.20074	78.3
519.26208	73.2
520.20355	8.2
520.26563	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	519.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
57.03441	0.7
57.70760	0.4
59.01376	100.0
60.01728	0.8
61.01794	0.3
61.98826	53.9
69.03456	0.5
69.28976	0.9
69.29385	2.0
71.01373	11.3
72.01750	0.5
72.99310	0.6
73.02940	7.5
74.03285	0.9
75.00864	0.5
83.01380	11.7
84.01672	0.4
85.02954	3.8
87.00851	1.2
89.02444	4.1
95.01386	0.8
96.95975	0.4
99.00883	1.1
101.02437	7.8
101.06065	0.6
102.02758	0.9
109.79413	0.4
111.00882	0.4
113.02443	4.7
117.97263	0.6
118.03931	0.4
119.03479	1.6
121.02933	1.6
121.29700	0.3
122.03793	2.0
123.04480	0.5
125.02421	0.7
131.03474	0.5
135.04509	0.9
136.01732	0.6
136.05280	0.4
137.02435	0.7
137.06044	1.3
143.03424	1.0
145.02933	0.5
147.04472	1.0
151.03995	0.6
161.02402	0.4
161.04573	2.6
161.05818	0.7
179.05577	0.9
191.05573	0.5
205.49113	0.4
207.13821	0.9
208.14067	1.0
232.77409	0.3
244.66905	0.4
249.14708	0.4
250.15269	0.5
258.18192	0.3
266.41531	0.3
274.05045	0.4
274.75833	0.4
297.20059	0.4
315.25049	0.4
342.10663	0.8
357.13406	19.9
358.13339	1.7
371.10815	0.8
371.20502	0.4
380.14691	0.4
399.23880	10.3
413.21338	0.9
417.24881	9.4
418.25250	0.5
459.24844	3.0
475.25568	2.5
477.30280	0.8
519.14655	0.9
519.22766	0.8
519.31073	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74242	0.4
57.03442	1.1
58.00594	0.5
59.01376	100.0
60.01706	1.2
61.98826	67.9
62.98553	0.4
69.03455	0.6
70.32051	0.3
70.53577	1.0
71.01376	11.1
72.99279	0.5
73.02942	9.6
74.03270	1.1
75.00884	0.6
83.01382	12.2
85.02943	3.2
87.00862	1.2
87.04516	0.5
89.02444	3.3
95.01381	1.0
99.00853	0.8
101.01805	0.6
101.02436	8.8
101.06053	0.6
102.02728	0.5
107.04985	0.5
108.02129	0.4
109.02975	0.5
111.00935	0.6
113.02444	4.9
117.97292	0.7
119.03442	1.2
121.02926	1.3
122.03771	2.0
123.04468	1.1
125.81951	0.4
135.04446	0.6
136.01639	0.6
136.05215	0.6
137.06055	2.2
141.19791	0.4
143.03464	0.8
147.04463	0.9
149.04555	0.5
151.03908	0.8
159.02853	0.5
161.04550	3.1
179.03415	0.5
179.05460	0.5
187.13295	0.6
207.13722	0.6
208.14111	1.1
209.08150	0.5
220.14050	0.4
221.08151	0.6
230.53653	0.5
250.15056	0.7
260.47028	0.4
281.08109	0.6
283.21338	0.4
297.20523	0.6
298.03241	0.4
321.84698	0.4
342.10681	1.2
357.13431	18.9
358.13205	1.2
365.53696	0.4
371.11011	0.8
399.23840	9.8
413.21213	1.5
417.24927	7.5
459.24667	3.1
460.26001	0.5
475.24686	1.3
477.22983	0.8
477.30035	1.3
519.21625	0.5
519.30603	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01709	0.6
60.43992	0.3
61.98808	0.5
67.51985	0.3
70.36771	0.6
81.45879	0.3
91.63439	0.4
105.19328	0.3
129.60780	0.3
129.80280	0.4
185.25978	0.3
304.53748	0.4
357.13315	0.7
440.53320	0.4
459.39435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97356	0.8
59.01375	100.0
60.01718	0.9
61.98819	5.0
62.70970	1.0
65.49542	0.8
70.94144	1.6
80.27638	0.7
88.94693	0.9
108.61969	0.8
109.06425	0.8
191.68283	1.0
262.01147	1.0
344.73447	1.2
357.13068	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40177	0.3
50.75076	0.4
59.01376	100.0
61.98838	0.8
68.12016	0.4
70.52415	0.4
70.52711	0.5
83.01391	0.4
92.98307	0.4
98.20042	0.4
159.31140	0.4
271.56024	0.3
272.64972	0.3
287.98901	0.4
357.13599	1.2
459.38455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47118	0.4
59.01375	17.6
60.01708	1.9
61.01809	0.5
61.98825	100.0
74.77118	0.4
75.79724	0.4
97.44506	0.5
98.20665	0.9
101.70905	0.4
112.20577	0.4
132.81972	0.4
174.99226	5.1
175.99611	1.6
176.99736	0.6
177.96672	1.0
178.98560	1.3
188.25772	0.5
201.02550	1.0
203.02327	0.5
203.99998	1.0
204.02545	0.6
206.17064	0.4
217.00266	15.3
218.00615	7.4
219.00769	2.3
219.97731	56.6
220.99702	3.1
224.03500	0.5
247.36855	0.4
359.01697	1.0
361.01541	0.7
361.98511	5.3
374.99301	3.7
375.99551	7.0
376.99518	2.5
377.96555	34.8
378.98410	4.5
490.11441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08281	0.5
53.56139	0.4
55.24104	0.4
59.01373	19.1
61.98825	100.0
63.64271	0.4
69.22401	3.8
71.01377	4.5
73.02940	7.5
80.43964	0.4
83.01398	1.8
85.02947	0.9
89.02448	1.5
98.19874	0.5
98.79656	0.4
101.02439	7.1
113.02478	3.1
119.03482	1.0
119.05016	4.0
131.03517	1.3
137.97980	0.5
142.26131	0.4
143.03520	1.2
145.02940	2.8
149.04568	1.5
161.04538	2.9
163.03990	7.2
297.11176	2.4
314.03140	0.5
315.12363	4.5
318.97672	0.4
341.99213	0.5
358.13916	0.6
359.11530	1.4
413.64468	0.5
521.16553	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	520.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31377	0.7
53.92183	0.7
54.69713	0.7
59.01376	53.6
60.01713	1.7
61.98826	100.0
63.50806	0.6
67.23892	0.6
68.57285	0.6
69.20885	1.0
69.21289	4.9
71.01384	3.1
73.02965	0.7
75.99446	0.6
85.02966	1.6
89.02453	1.2
95.88639	0.7
98.20681	1.5
101.02463	1.8
102.48444	0.6
103.23146	0.6
113.02445	1.4
119.03477	0.8
216.07874	0.8
297.34781	0.7
371.20795	0.9
400.24396	1.2
413.21808	5.3
465.78735	0.7
481.52621	0.8
529.26318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63980	0.8
59.01376	40.9
61.98826	100.0
70.61504	0.7
71.01375	3.6
73.02947	1.6
83.01380	1.6
85.02940	2.2
95.33010	0.9
101.02421	2.5
113.02426	0.9
131.39285	0.8
161.04527	1.5
191.05519	3.6
227.03436	1.1
361.20377	0.8
371.20566	3.3
413.21899	4.3
504.21326	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
59.01377	36.7
61.98828	100.0
71.01386	3.9
73.02945	1.4
83.01387	2.3
85.02959	0.9
85.26719	0.6
89.02452	1.0
99.00911	0.6
101.02467	1.9
111.65770	0.5
113.02463	0.7
121.02916	0.6
132.31712	0.6
133.02951	0.9
153.09335	0.6
161.02423	3.4
161.04529	1.2
357.13449	1.5
358.13760	2.8
371.20782	2.8
413.21887	2.1
521.16815	2.9
521.33679	1.8
542.61401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.4
61.98826	100.0
62.98536	0.3
69.03456	0.4
69.14268	2.9
69.14671	0.6
71.01379	5.9
72.13260	0.4
73.02938	7.7
78.95914	0.5
83.01382	2.6
85.02966	1.2
89.02451	2.2
94.16175	0.4
98.19843	0.7
101.02438	7.5
102.02826	0.4
113.02441	3.1
117.03487	0.8
119.03495	0.6
125.02438	0.3
131.03540	1.0
143.03511	0.6
145.02954	2.3
149.04581	0.8
161.04599	2.5
163.04028	0.4
175.56020	0.3
198.50725	0.4
203.05496	0.4
221.06735	0.6
316.20023	0.4
358.13776	1.2
404.36459	0.4
512.54602	0.4
520.21295	0.6
520.32806	0.7
521.23669	0.9
521.33746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67403	1.1
59.01376	62.8
60.01715	1.4
61.18413	1.2
61.52314	1.2
61.98827	100.0
69.13123	1.0
69.20073	10.6
71.01374	17.6
72.01688	1.3
73.02948	2.4
73.67504	1.1
74.02457	1.8
74.64587	1.2
85.02950	4.0
87.22195	1.3
89.02441	21.0
95.01392	1.2
98.20721	2.2
100.65361	1.2
101.02428	9.3
106.15647	1.1
113.02447	7.5
119.03513	6.5
122.01093	1.1
143.03468	1.7
149.04601	1.4
161.04530	2.6
175.04015	1.3
179.05586	3.6
187.56738	1.0
195.09129	1.3
204.19208	1.1
232.68008	1.1
239.58192	1.3
264.07425	2.4
281.08340	1.4
282.08459	4.3
283.09686	4.0
304.78561	1.1
309.07700	6.5
310.08044	11.3
311.09204	9.8
315.13751	1.1
324.09650	2.6
325.10529	5.1
326.11456	4.8
339.12317	3.9
340.12646	12.9
341.13925	11.9
358.13794	2.0
413.21848	1.3
480.64597	1.2
520.27417	3.5
521.12085	1.6
521.25940	1.1
538.92871	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.3
59.01377	12.5
60.01762	0.3
61.98827	100.0
67.98689	0.3
71.01379	4.7
73.02943	8.4
83.01387	1.9
85.02956	0.6
86.49727	0.3
89.01952	0.4
89.02419	1.7
96.06426	0.2
98.20647	1.0
101.02442	7.3
112.80956	0.3
113.02438	2.3
119.03525	0.8
120.37522	0.3
121.03043	0.3
131.03522	0.7
136.01651	2.4
137.02010	0.6
138.57188	0.3
143.03491	0.6
149.04562	1.6
151.03999	3.0
152.04341	1.2
161.04546	2.7
175.36002	0.3
203.05635	0.3
221.06709	0.6
343.11493	0.7
357.13541	0.8
358.13779	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	521.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30038	0.6
53.38849	0.5
57.03409	0.7
59.01376	16.1
61.98828	6.0
64.00235	0.6
69.03468	0.8
71.01009	0.9
71.01373	10.2
72.99307	0.8
73.02923	1.5
81.03443	1.6
82.01972	0.6
85.02958	3.3
87.00853	1.4
89.02439	10.0
91.51294	0.6
93.03442	1.8
95.01370	2.0
97.02926	0.9
99.00822	0.5
100.20488	0.6
101.02444	4.8
108.02168	52.7
109.02956	20.4
111.00855	1.6
113.02441	4.0
115.41991	0.6
117.03434	2.0
119.01352	2.0
119.03532	3.0
119.05013	1.9
121.02921	2.6
123.00882	1.3
123.04493	0.8
125.02457	0.8
125.06034	2.5
131.03574	0.8
133.02888	1.1
134.03719	0.7
135.00789	1.3
135.04489	1.5
136.01646	8.2
137.02048	2.6
138.02077	1.4
139.07535	0.6
143.03450	1.1
145.02939	7.3
149.02440	4.6
150.03329	1.3
151.02892	0.8
151.03989	10.0
152.01141	53.4
152.04359	4.4
153.01930	17.5
153.04472	2.1
156.77791	0.6
161.02354	1.3
161.04543	1.3
161.06021	0.7
162.03181	1.1
163.03957	3.0
164.04807	3.2
165.01974	0.9
165.05513	1.1
175.00345	7.6
175.03917	0.7
176.01128	9.6
177.01756	0.7
177.05623	0.9
179.05597	1.4
185.11783	1.9
190.01013	1.4
190.02698	21.0
190.38507	0.6
191.03494	15.5
199.13286	0.7
205.05042	16.3
209.04439	2.2
213.07660	0.7
220.07910	0.6
223.06087	2.0
223.85806	0.6
225.11240	0.7
247.35446	0.6
251.05446	0.7
255.16402	0.6
265.06985	0.8
273.07733	0.7
283.09778	2.9
296.10318	0.8
311.09277	6.1
315.07150	13.7
326.11426	2.5
341.13962	6.9
343.11456	1.1
344.11505	2.0
353.08688	4.1
357.13440	4.0
358.13840	5.8
359.14105	10.6
398.74551	0.6
436.15036	0.8
461.19928	1.1
477.13828	1.9
521.12848	100.0
521.21747	6.7
522.13184	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13187	0.9
56.11036	1.0
59.01373	20.5
61.98841	5.2
65.03960	24.0
68.99809	2.1
69.03458	6.2
70.83102	2.2
71.01373	13.2
72.99291	1.6
73.02925	3.4
79.66467	0.8
83.01392	2.7
85.02953	5.9
87.00861	2.0
88.98798	1.0
89.02439	6.7
93.03454	5.2
95.01367	1.4
95.04988	3.2
97.02966	0.9
99.00873	2.8
101.02438	7.4
106.04221	1.2
113.02428	8.3
114.95183	1.0
119.03478	2.9
119.05001	3.5
121.02959	1.1
121.06583	17.0
125.02413	1.1
131.03490	6.1
135.04474	2.7
137.06052	1.8
139.03996	37.0
139.07613	1.2
147.04456	1.3
149.04536	18.5
159.03029	0.9
161.04593	0.9
165.05559	24.2
166.05920	1.6
178.60568	0.8
181.05005	1.9
183.06610	20.4
184.07031	0.9
191.05585	3.3
201.04051	1.8
209.04518	7.1
219.36574	0.9
227.05656	1.2
345.11804	11.9
357.12024	1.1
359.12268	1.8
371.09872	2.1
389.10861	21.3
390.10938	1.4
477.15814	1.9
503.14117	1.8
521.15039	100.0
522.15326	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	521.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.5
57.03429	1.1
59.01380	30.9
61.98832	7.2
63.62902	1.1
65.03960	56.3
68.99801	2.7
69.03455	14.5
69.37730	8.7
71.01019	2.1
71.01377	32.5
72.99310	1.8
73.02938	8.2
74.45579	1.1
83.01368	3.2
85.02950	12.0
87.00842	2.2
88.98792	4.1
89.02435	19.6
90.35792	1.0
93.03461	11.5
95.01363	2.3
95.05008	5.3
99.00847	5.3
101.01821	1.1
101.02440	19.0
103.05517	3.4
105.14424	1.2
106.04240	2.8
107.05022	2.0
109.02897	2.2
111.00875	2.3
113.02454	14.4
115.00360	1.1
115.35523	1.1
119.03485	4.3
119.05025	7.1
121.02934	2.9
121.06596	40.1
125.02402	1.5
131.03531	3.9
137.02441	3.4
137.06067	2.0
139.04010	83.7
139.07611	1.7
140.04367	2.2
147.04504	2.7
149.04529	4.7
161.04498	2.9
163.07613	1.7
165.04175	2.6
165.05554	50.0
166.05833	1.7
181.05022	1.1
183.06602	41.4
184.06978	1.1
187.66714	1.1
191.05612	2.4
207.06602	2.2
207.52739	1.1
209.04543	20.2
227.05559	5.1
242.05801	3.5
252.71268	1.2
265.97260	1.3
271.09659	6.0
308.17148	1.3
315.10822	1.5
345.11859	34.6
346.12073	2.0
359.07397	1.2
359.12399	2.3
375.27814	1.1
389.10864	94.4
390.11176	5.0
477.16135	11.8
521.14984	100.0
522.15460	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.8
59.01376	13.1
61.98823	3.4
69.55421	3.9
71.01373	9.9
72.99314	1.0
73.02949	1.9
75.00876	0.7
83.42597	0.7
85.02940	3.1
87.00886	1.7
89.02439	5.8
91.01913	1.8
91.05523	0.8
93.03468	1.4
97.25114	0.6
98.20526	0.9
99.00878	0.7
99.04532	0.8
101.02448	5.4
107.05025	2.0
108.02169	100.0
109.02441	1.2
113.02450	4.6
117.03444	3.4
119.01369	5.1
119.03504	1.8
119.05005	1.5
121.02927	4.2
122.03738	2.2
123.04497	2.7
125.02426	1.7
128.25818	0.6
133.02968	0.9
134.03720	2.9
135.04517	12.7
135.08089	1.5
145.02953	15.8
145.97237	0.6
147.00850	3.6
147.04466	1.5
149.02432	18.3
150.03232	3.0
151.03987	1.2
152.01135	0.9
153.05591	1.4
153.09158	1.0
161.02422	1.8
161.04524	2.2
162.03180	1.4
163.03961	5.8
163.63316	0.6
164.04784	16.8
165.01907	1.0
165.05573	3.3
166.02672	1.1
173.02371	0.8
174.98825	1.3
175.00351	27.2
176.01030	2.6
177.05559	1.5
178.06323	1.3
179.05656	1.0
179.07106	4.3
187.02490	0.6
188.04677	1.0
190.02698	72.5
191.03441	10.1
193.01385	0.7
193.04980	1.0
195.03085	0.7
195.06622	1.8
197.08311	1.3
203.07076	2.3
205.05040	95.6
206.05724	10.8
207.02951	2.2
207.06604	1.4
208.03806	3.4
208.07434	0.9
209.04434	1.8
221.08174	9.9
221.67462	0.8
222.05264	1.4
223.06104	39.2
223.09698	2.6
224.06429	1.9
235.02318	0.7
237.07664	5.3
247.06133	0.9
250.04739	2.3
251.05463	1.6
265.07144	47.0
266.07413	1.9
283.11209	0.7
295.08185	9.6
307.08157	5.7
314.10010	1.1
315.10629	1.0
325.09238	13.4
326.09470	1.0
329.13666	1.0
359.14993	9.2
360.15393	1.3
367.10419	1.4
383.09839	0.8
385.11026	0.8
429.04782	0.6
473.14389	6.8
474.14328	0.7
477.23282	1.2
503.15588	1.2
521.16577	34.8
522.16968	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	521.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39608	0.9
54.81694	0.8
57.27648	0.7
59.01373	17.0
61.02931	0.7
61.98798	3.7
65.03956	1.0
69.40477	5.7
71.01369	13.8
72.99291	1.0
73.02941	3.4
74.77599	0.7
75.00867	1.4
77.67725	0.8
83.01385	1.3
85.02946	4.1
87.00869	7.8
89.02436	11.5
93.03455	2.6
95.01385	2.1
99.00870	1.5
101.02427	9.8
107.05036	1.2
108.02172	4.3
109.02941	1.6
109.06584	15.6
109.07324	0.5
113.02425	5.0
117.07104	1.0
119.03477	4.6
123.04475	1.0
125.02454	0.9
131.03473	2.0
135.04514	1.2
135.08151	54.1
136.07558	1.2
136.08502	1.9
139.03999	1.6
149.02444	1.4
153.09195	30.4
161.02426	2.1
161.04536	4.6
162.05569	3.2
163.03914	1.0
165.05574	0.9
167.03531	1.9
179.03336	0.8
179.05579	2.4
179.07080	2.4
179.08398	1.4
183.06599	1.1
190.02754	1.0
197.08171	36.8
198.08485	1.0
205.06410	1.0
209.04558	0.9
221.06631	2.7
223.06079	1.1
244.23433	0.8
265.08041	1.4
297.12436	1.2
315.10565	0.8
355.12921	2.0
359.13684	7.8
399.11765	1.0
431.14584	5.4
467.15491	1.1
502.99930	0.8
521.18658	100.0
522.18945	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	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01373	2.7
61.98817	1.7
67.77483	0.4
71.01380	3.2
71.53519	0.5
85.02946	1.2
87.00863	1.1
89.02448	0.7
91.32183	0.4
93.03435	0.6
99.00828	0.5
101.02441	2.0
108.02151	0.9
113.02420	1.4
121.02953	4.3
122.03698	1.0
123.00853	0.5
123.04520	0.5
124.01612	0.6
132.04488	0.7
135.04541	1.1
136.05273	0.7
137.02394	0.9
143.04980	0.8
145.03011	1.0
147.04498	2.5
149.02390	1.4
150.03249	5.1
151.04037	1.2
154.00677	0.4
158.03725	2.5
159.04504	8.4
160.05292	23.5
161.02437	0.9
161.04539	1.3
161.06030	6.5
163.03990	5.8
164.04796	5.7
173.06046	3.5
174.06923	0.5
175.07626	22.1
176.04793	0.5
176.07909	0.7
177.05560	6.4
178.06328	7.9
179.03400	0.5
179.07028	1.0
190.02734	0.7
192.07912	1.3
193.05022	0.7
193.08669	2.2
205.05019	1.1
223.06061	1.1
241.10001	0.5
266.44736	0.4
269.08127	1.2
281.08530	0.4
283.10699	1.3
299.09271	1.2
299.12552	0.6
309.08740	0.5
311.02634	0.5
311.09201	1.4
311.12451	0.5
314.11545	3.0
318.16312	0.4
326.11575	0.8
327.09598	0.7
329.13913	100.0
330.14276	7.3
341.13907	1.9
359.15112	4.6
371.08795	0.4
401.13541	0.5
403.11578	0.7
489.11523	3.1
521.22333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72686	0.4
55.01854	0.4
59.01376	3.3
61.98833	0.8
67.00572	0.3
68.24177	0.3
71.01375	4.9
71.53131	0.4
72.01746	0.3
72.99290	0.7
73.02956	1.0
73.09282	0.3
74.53338	0.4
75.00883	0.3
77.25789	0.4
83.01389	0.8
85.02944	1.6
87.00871	0.9
88.98806	0.4
89.02437	1.5
93.03455	1.0
99.00889	0.8
101.02425	2.5
108.02190	0.8
109.06568	1.2
113.02460	2.2
119.03480	0.4
121.02951	3.5
122.03727	1.3
123.00875	0.6
123.04506	0.9
124.01666	0.6
131.03474	0.4
133.02959	1.1
134.03708	1.5
135.04514	1.4
135.08142	4.6
136.05302	0.7
137.02440	0.8
137.06100	0.4
143.05042	0.9
145.02956	0.6
146.03743	0.6
147.04504	1.8
149.02441	1.6
150.03198	4.8
153.05554	0.6
153.09207	3.0
158.03708	2.9
159.04489	6.7
160.05287	23.6
161.02452	2.7
161.04561	1.7
161.06053	7.4
162.03113	0.4
163.03979	4.1
164.04782	4.8
165.01955	0.3
173.04523	1.6
173.06065	3.0
174.06789	0.5
175.03978	1.0
175.07626	22.4
176.04788	1.2
176.07976	0.6
177.05534	6.0
178.06323	8.1
179.03513	0.7
191.07153	1.2
192.07892	2.4
193.05029	1.6
193.08694	3.1
197.04512	0.7
197.08185	3.3
235.06056	1.7
265.07233	0.9
283.69427	0.4
295.08453	0.6
314.11502	1.2
323.07495	0.5
329.13904	100.0
330.14206	6.5
339.11945	0.4
347.17249	0.5
359.11160	0.5
359.15033	4.7
360.15103	0.4
480.93219	0.4
521.18799	11.7
522.18610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29510	1.5
58.00619	1.7
59.01374	100.0
61.98829	4.0
71.01373	32.9
71.52054	1.6
72.99296	1.4
73.02942	38.2
80.91650	1.5
83.01386	14.5
85.02937	4.8
87.00848	1.5
89.02452	8.4
101.02435	33.0
113.02440	12.7
119.03462	3.3
125.02395	1.6
131.03442	3.3
137.60510	1.3
143.03423	4.0
149.04572	8.0
152.07123	1.7
161.04575	9.9
221.06508	4.2
221.08855	1.4
263.35080	1.8
302.81161	1.5
315.19528	2.0
317.21112	9.8
357.13666	1.8
461.25253	3.2
479.26022	2.0
486.32681	2.0
487.33157	2.1
503.26340	6.0
521.27618	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18187	0.8
59.01377	100.0
60.01697	1.0
61.98829	7.0
63.04042	0.7
69.26321	2.0
69.26733	4.4
69.92190	0.7
71.01379	10.2
73.02953	3.8
79.95711	1.2
80.74976	0.7
83.01405	1.6
83.24055	0.7
84.10262	0.7
85.02953	5.0
86.93829	0.8
87.94035	0.7
89.02438	4.3
95.01391	1.2
96.90852	0.7
96.96018	8.8
98.20658	1.6
101.02438	5.1
113.02437	4.8
119.03537	1.8
119.43858	0.8
135.04625	0.8
137.56679	0.7
143.03386	0.7
153.55113	0.8
161.04594	3.5
181.70068	0.7
235.58980	0.9
287.20093	11.2
299.20166	17.3
299.23416	1.0
300.20572	1.7
317.21234	11.8
331.96478	0.8
389.22760	2.0
389.72940	1.4
399.23853	3.5
441.25064	2.2
461.25540	2.2
461.31424	1.5
521.24011	5.5
521.32867	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	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.03985	0.3
55.54753	0.4
57.03444	1.6
59.01376	100.0
60.01712	1.0
61.98833	1.1
68.99792	0.3
69.03461	0.5
69.17640	2.2
69.18066	1.1
71.01376	14.4
73.02942	4.2
75.00881	0.5
83.01385	2.9
85.02937	7.3
87.00865	0.9
89.02422	3.1
95.01392	2.3
97.02946	0.6
97.11373	0.4
98.19879	0.7
99.00856	2.0
101.02439	10.0
111.00890	0.8
113.02446	7.8
113.03171	0.6
119.03538	0.8
125.02436	1.7
129.01990	0.4
136.01747	0.9
141.01866	0.4
143.03464	1.7
151.04015	0.7
152.07166	0.7
159.03001	0.9
161.04549	2.8
164.83612	0.6
175.03908	0.6
251.05978	0.4
267.23120	0.5
287.20148	17.9
288.20453	1.1
297.24240	0.5
311.13382	0.4
313.23840	1.5
315.25333	3.7
317.21194	9.9
317.26855	8.1
318.21716	0.8
341.26984	1.6
359.28030	5.8
360.28375	0.5
412.37338	0.4
417.17136	1.0
417.28339	0.7
429.17126	0.7
441.40866	0.4
447.18237	1.8
461.31149	44.8
462.31583	3.6
477.19101	0.8
479.32224	19.7
480.32364	1.9
521.33264	32.4
522.33490	3.1
543.18042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33734	0.3
59.01382	1.8
61.98827	100.0
69.24880	0.7
69.25285	2.3
71.01385	1.0
73.02951	0.3
83.77682	0.3
85.02955	0.4
88.98796	2.7
89.02457	0.9
94.87904	0.3
101.02434	0.8
103.78255	0.3
107.30830	0.4
108.02205	0.3
111.00890	0.3
113.02472	0.6
113.50652	0.3
117.03524	0.6
119.03484	0.4
119.05050	0.8
133.02956	3.8
135.04536	1.5
145.02953	3.1
145.30255	0.3
149.06145	0.3
161.02429	20.6
162.02818	0.6
163.04065	1.4
177.05498	0.4
179.03494	1.6
191.05577	0.7
205.04993	0.4
238.17938	0.3
278.04117	0.6
281.06573	0.4
337.59192	0.4
459.15057	27.4
460.15256	2.0
522.18518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	35.2
61.98827	100.0
71.01379	2.5
73.02942	0.7
85.02917	1.8
89.02452	0.6
99.00880	0.4
101.02429	2.2
101.06083	2.6
102.06437	0.6
113.02482	1.3
131.19301	0.3
135.04517	0.4
152.07188	0.7
161.04590	1.0
168.25894	0.4
175.03999	0.6
185.11813	0.4
262.37665	0.4
281.09363	0.4
311.71848	0.4
373.22311	3.8
415.23380	4.6
415.27988	0.5
416.23831	0.4
446.17078	0.9
456.27774	0.4
522.33954	0.5
523.22345	0.5
523.35199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05674	0.4
54.92311	0.3
59.01070	0.6
59.01375	14.5
61.98825	100.0
64.31908	0.4
66.86230	0.4
71.01363	1.8
73.02941	5.6
75.24723	0.3
83.01401	1.2
89.02474	1.2
101.02433	5.5
113.02432	2.1
119.03543	0.5
126.26099	0.4
131.03508	0.8
142.52011	0.4
143.03453	0.6
149.04576	1.5
161.04564	2.6
177.64565	0.4
221.06668	0.6
259.72278	0.4
321.74637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43020	0.2
55.01848	0.2
59.01377	36.3
60.01693	0.2
61.98827	100.0
71.01379	2.4
71.53494	0.2
73.02937	1.0
73.45052	0.2
83.01381	0.5
85.02957	1.2
89.02441	0.6
91.66959	0.2
95.01375	0.2
99.00874	0.3
99.04487	0.3
101.02435	2.1
101.06075	3.3
102.06396	1.0
113.02445	1.2
125.02405	0.2
129.05525	0.3
145.04991	0.3
146.05315	0.2
160.01567	0.3
161.04547	0.9
175.04021	0.2
185.11734	0.4
194.05170	0.2
216.11005	0.2
216.55711	0.2
227.12714	0.2
235.85968	0.2
373.22244	4.1
403.19199	0.2
415.23294	5.0
416.23166	0.3
446.16629	0.4
475.03403	0.2
522.17712	0.3
522.33307	0.3
523.21283	0.4
523.34338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01376	45.2
61.98825	100.0
63.99255	0.6
69.31577	3.1
71.01371	3.3
73.02946	1.1
83.01389	0.9
85.02957	1.7
87.00872	0.4
89.02457	0.6
101.02451	2.7
113.02419	2.0
122.06094	0.4
133.06621	0.6
134.03746	0.4
149.36998	0.4
152.07129	0.5
161.04543	1.1
166.03838	0.4
177.05658	0.9
193.05116	0.6
218.88519	0.4
284.40182	0.4
316.66046	0.4
355.21283	1.0
373.22330	3.3
415.23294	4.6
461.31561	1.4
462.31464	2.7
480.32578	0.7
523.22772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2182
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01374	9.4
61.98805	0.8
64.52864	0.5
69.19072	4.2
71.01380	7.7
72.99294	0.6
73.02932	2.2
75.00855	0.7
76.07304	0.5
83.01353	0.7
85.02949	2.1
89.02436	8.8
93.03430	1.0
98.20641	1.2
99.00863	1.8
101.02415	6.1
108.02166	1.0
109.02972	3.2
113.02454	3.3
114.39447	0.5
119.03500	1.2
121.02938	10.8
122.03737	9.4
122.76865	0.5
123.04474	1.1
124.01676	0.8
125.02446	0.7
131.03517	1.3
133.02922	2.5
134.03726	1.3
135.04506	3.4
136.05298	0.9
137.02435	2.2
137.09721	0.8
143.03442	0.6
147.04491	5.0
148.05287	0.7
149.04558	5.1
149.06027	0.7
154.02751	0.8
155.10774	8.4
161.02425	7.4
161.04547	1.2
161.06075	1.6
163.03983	0.6
165.05550	20.5
166.05936	0.6
175.07640	0.8
177.05598	0.5
179.03506	2.7
179.05666	0.5
179.07108	6.8
191.05556	1.0
192.06116	0.5
199.09744	7.7
203.03731	0.5
209.08214	0.9
223.09712	1.1
283.09692	0.6
313.14496	1.0
315.12439	2.5
329.13904	1.2
330.14182	1.0
331.14651	1.9
346.14151	9.8
347.14624	0.9
361.16525	100.0
362.16873	6.6
383.09924	1.2
463.21844	16.1
464.21997	1.5
505.13376	4.0
506.13522	0.7
523.13806	0.7
523.21252	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	523.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58069	1.6
59.01375	97.4
61.98827	22.5
70.06995	5.2
70.07400	3.2
71.01388	12.7
73.02950	7.7
75.00844	1.5
83.01375	3.7
85.02947	6.5
86.00086	2.0
89.02450	1.7
89.08644	1.7
99.00888	2.2
101.02417	11.6
113.02453	5.7
136.69507	1.7
161.04515	3.4
164.48309	1.8
176.60753	1.6
193.83463	1.6
301.21695	81.8
302.22098	5.5
329.21762	1.8
368.04379	1.8
384.82291	2.1
463.26935	100.0
464.27081	9.9
485.32538	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05917	2.6
53.74652	3.1
59.01369	6.2
71.90309	2.8
84.25206	2.3
100.54670	2.4
127.91737	2.6
164.28323	2.6
171.58910	2.7
213.34929	3.0
243.80186	3.0
257.06064	2.8
307.74438	2.8
347.75873	2.7
431.49347	2.6
436.88022	2.7
487.34277	100.0
488.34637	7.0
523.30389	10.3
525.94196	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	524.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98826	100.0
62.98531	0.2
63.33715	0.2
69.41676	1.0
69.42076	0.2
71.01365	0.2
100.42353	0.1
101.02448	0.2
108.02177	0.5
110.12525	0.2
113.02368	0.3
117.03466	0.3
119.05099	0.1
145.02959	0.8
161.02423	0.2
161.06020	0.2
163.04050	0.3
177.05652	0.2
221.39113	0.1
265.07166	0.2
325.74429	0.1
371.42221	0.2
378.35144	0.2
461.14609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49908	0.1
59.01370	0.5
61.98826	100.0
62.98561	0.2
69.06229	0.1
69.28297	0.7
69.28720	0.4
71.01380	0.3
87.32755	0.1
88.98827	0.3
89.02421	0.2
101.02448	0.3
108.02175	0.9
113.02450	0.3
117.03447	0.3
119.05046	0.4
121.17981	0.1
130.62065	0.1
145.02946	1.9
149.02397	0.3
156.40634	0.1
161.02486	0.4
161.06100	0.3
163.04034	0.7
164.04729	0.2
175.00407	0.4
190.02682	1.4
191.03090	0.2
205.05035	1.5
206.05490	0.2
223.06117	0.3
235.06059	0.2
265.07233	0.5
277.56671	0.1
461.14508	3.4
461.20435	0.2
462.14798	0.2
465.23254	0.3
524.18811	0.6
525.20117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.8
61.98827	69.2
69.70841	1.9
69.71246	0.7
71.01381	2.6
80.96513	1.5
85.02955	0.6
89.02454	1.7
98.19962	0.9
100.10462	0.4
100.86073	0.5
101.02424	1.3
103.67207	0.6
105.03442	0.9
105.04121	0.5
113.02450	0.8
117.03434	0.9
119.05001	1.3
122.06181	0.5
126.84054	0.5
132.02179	1.3
133.02946	24.5
134.03693	0.5
135.04515	6.9
135.39372	0.5
137.02437	0.9
152.07187	1.7
161.02434	100.0
162.02734	2.6
179.03477	4.7
203.30986	0.5
221.04488	1.0
225.00542	0.5
283.10892	0.8
448.18451	0.8
461.14499	92.7
462.14929	7.4
492.17722	1.7
524.20203	0.6
525.16315	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98827	100.0
65.01239	0.2
65.03986	0.3
69.21184	1.8
71.01389	0.8
73.02939	0.5
82.80360	0.3
85.02968	0.3
87.00895	0.4
89.02443	0.5
91.52968	0.2
101.02454	0.6
103.04006	0.2
115.04015	0.2
127.23032	0.2
131.03522	0.3
133.02937	0.2
135.04526	2.1
139.04028	0.3
143.03485	0.5
161.02417	1.2
162.02888	0.3
179.03548	0.3
183.06627	0.4
185.11858	0.2
203.03430	0.3
205.07230	0.6
231.92000	0.2
297.47214	0.2
451.80106	0.2
461.16617	12.0
462.17117	0.9
487.14618	0.6
488.14468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.6
61.98540	0.4
61.98831	4.1
69.17378	2.5
69.17780	0.6
71.01367	0.8
80.05024	0.4
83.96622	0.3
85.02946	0.3
94.06622	2.6
98.20746	0.6
99.94350	0.3
101.02431	0.6
104.05003	0.4
106.06647	0.8
107.03757	3.8
108.04567	0.3
120.04557	0.5
121.05318	0.4
122.02399	0.4
122.06116	22.4
124.07694	1.9
132.04533	3.8
134.06125	3.6
134.37776	0.3
135.04495	0.5
139.02705	1.2
144.04495	0.7
146.06152	0.4
150.05592	1.0
152.07159	39.6
153.07513	0.5
158.02469	1.6
160.04056	2.0
162.05583	0.6
166.05092	0.7
166.78178	0.3
172.04042	0.6
174.05582	0.4
176.03549	2.6
184.07713	0.3
190.05084	6.1
191.05659	0.5
192.06546	0.5
194.97835	0.3
211.12329	0.7
212.05772	0.4
212.10786	0.4
215.11873	1.8
223.08810	1.8
223.65532	0.3
224.09535	2.0
227.08249	0.9
227.11919	0.4
237.10266	0.5
238.11156	0.5
239.08179	0.9
239.11871	9.3
240.10188	1.2
241.09872	1.6
251.08223	0.6
251.12010	1.6
251.14180	0.3
252.09253	0.3
253.06187	2.2
253.09761	0.8
255.07715	0.9
255.11397	1.7
256.08414	0.4
265.09787	1.6
266.07117	0.5
267.07715	2.3
267.11346	1.4
268.08527	1.8
279.07751	1.0
280.08545	2.4
281.09174	0.8
283.10849	22.2
284.11218	1.2
287.10318	0.4
293.09320	0.3
295.10815	8.2
295.13913	0.6
296.11487	0.5
297.12473	0.9
299.10333	0.5
307.10950	0.4
309.08875	0.8
309.12299	0.5
311.10464	0.5
312.11142	1.7
313.11899	0.5
315.13458	2.2
323.10208	0.4
325.12006	0.4
326.12253	0.4
327.09885	0.6
327.13373	2.0
335.64218	0.3
339.26419	0.4
341.11310	2.3
355.12918	1.1
356.13654	0.7
404.19684	0.5
420.19440	2.4
430.17758	1.0
446.16989	0.5
448.12747	0.7
448.18726	7.6
449.19366	0.5
464.18213	1.0
474.16638	0.7
480.21378	1.8
492.17700	13.6
493.17957	0.7
496.20779	1.1
506.19189	1.7
523.34882	0.9
524.20325	100.0
525.20630	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	525.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97240	0.7
55.01864	0.9
57.03435	0.9
59.01369	11.7
61.98809	3.0
65.03957	20.9
66.04325	0.8
68.99797	1.6
69.03451	3.6
69.37743	4.4
69.38161	1.5
71.01375	7.5
73.02931	1.8
75.00813	0.7
76.45670	0.9
80.91703	0.9
83.01372	1.3
85.02934	1.8
87.00845	1.2
89.02449	4.3
93.03448	3.5
95.01383	1.2
95.05004	2.3
96.96016	2.1
98.20616	1.3
99.00871	2.2
101.02436	6.9
108.02180	2.8
109.02945	23.9
111.00877	6.3
113.02424	3.1
119.03475	1.6
119.04989	3.4
121.02930	1.1
121.06581	11.4
123.00830	1.1
123.04465	2.0
135.04529	1.2
137.02441	1.2
137.06052	1.2
139.03999	27.2
143.77403	0.8
149.02390	1.1
151.04008	1.4
152.01141	10.5
153.01927	44.2
153.05588	0.9
154.02174	1.0
161.02383	1.3
162.23399	0.8
165.05536	14.4
167.03546	1.3
179.03502	0.9
183.06607	14.1
195.02969	59.2
196.03207	2.3
209.04529	4.3
225.03989	1.8
234.90283	0.8
255.05078	100.0
256.05383	4.1
269.01495	0.7
297.06165	4.8
297.26181	0.9
315.07260	9.1
345.11871	10.8
389.10776	8.1
435.77295	0.9
437.14395	1.3
481.13431	38.7
482.13882	3.9
525.12366	74.1
526.12567	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	525.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.8
65.03958	34.6
70.83244	2.0
71.01369	2.1
84.25367	0.9
85.02941	2.0
89.02442	2.8
93.03439	3.5
95.04996	2.3
96.95987	0.9
101.02437	2.6
113.02428	2.0
119.04987	2.8
121.06605	11.9
139.04008	47.1
139.67650	1.1
147.23842	0.9
161.04572	1.4
165.05542	16.1
179.05595	2.0
183.06610	100.0
184.06914	2.2
184.97614	1.4
191.05611	18.1
288.98782	1.4
320.56586	1.0
335.37405	1.1
341.10843	9.8
367.59604	1.0
477.27100	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02068	0.8
57.03423	0.8
58.00607	0.8
59.01374	9.9
59.75246	0.6
60.43147	0.5
61.98828	30.7
71.01377	11.6
71.44013	1.1
73.02936	4.4
80.14153	0.6
80.96501	0.7
83.01382	3.0
85.02965	5.5
87.00855	1.2
89.02437	4.4
89.32838	0.7
91.01859	1.0
93.03483	0.7
95.01361	1.3
99.00855	2.6
101.02441	10.5
111.00941	0.6
111.04507	0.9
113.02453	4.6
119.01392	4.0
121.02949	1.6
122.96375	0.6
125.02480	0.7
135.04506	1.8
147.00874	4.4
147.04517	1.0
149.02425	12.1
152.01044	0.9
157.08662	1.7
161.04541	2.3
163.03984	1.8
164.04779	12.7
165.01910	0.8
175.00357	24.6
176.00838	0.6
179.07133	1.7
185.11850	0.8
190.02704	73.1
191.03140	2.5
199.13437	1.0
205.05042	76.2
206.05417	3.9
209.04591	1.2
223.06105	21.8
224.06470	1.2
227.12817	1.2
227.26251	0.6
251.05530	0.7
294.34830	0.7
333.19165	6.4
348.58163	0.7
405.67477	0.6
462.14731	1.0
465.23352	38.1
466.23700	1.7
510.17227	1.3
525.19757	100.0
526.20142	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	525.307
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
51.11285	0.1
55.01865	0.1
56.98625	0.1
57.03449	0.3
57.34180	0.1
58.00587	0.5
59.01374	100.0
60.01700	0.7
61.98824	1.6
69.03451	0.3
69.19360	0.8
69.19772	0.4
71.01375	14.5
72.01720	0.1
72.99309	0.7
73.02940	9.1
75.00839	0.2
75.88204	0.1
81.03468	0.2
83.01379	2.7
83.05024	0.2
85.02943	3.4
86.74451	0.1
87.00861	0.7
87.04543	0.2
89.02436	6.1
95.01382	1.2
96.95965	0.2
97.02998	0.3
99.00883	0.5
101.02433	9.7
102.02780	0.2
103.10252	0.1
113.02438	8.6
119.03487	2.6
119.04328	0.1
125.02443	0.3
131.03484	0.8
143.03487	1.4
149.04573	0.4
155.03578	0.2
161.02550	0.2
161.04529	3.0
171.10326	0.2
179.05624	1.0
188.22884	0.1
321.24335	0.3
371.15051	0.2
465.28482	1.7
483.29562	1.8
533.80640	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	526.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01378	1.5
61.98826	22.7
63.02369	0.6
65.00336	1.3
69.61784	4.2
70.99361	0.7
71.01381	1.4
74.44547	0.6
80.96500	6.2
83.01376	0.9
94.98091	1.3
98.20596	0.9
101.02408	1.0
105.47462	0.7
107.01395	1.2
107.53378	0.7
108.02180	1.6
109.02958	0.9
114.60449	0.7
121.02945	1.4
126.94905	0.7
131.67076	0.7
134.97641	0.8
135.00880	0.8
148.01718	1.0
151.00380	8.1
161.02432	0.9
163.00334	1.5
164.01157	0.8
164.98633	1.4
178.99837	4.1
182.29491	0.7
187.04190	0.6
191.86346	0.6
216.04196	0.7
224.66704	0.8
225.00734	1.9
225.10466	0.7
226.02736	0.7
227.03481	2.7
229.05052	0.6
243.02916	7.0
245.04578	1.3
254.02060	2.0
255.02968	19.2
256.03326	1.6
271.02451	38.6
272.02994	2.7
273.03928	0.8
283.02454	1.2
299.01935	0.7
300.02722	82.6
301.03455	35.7
302.03876	2.0
306.96689	0.7
463.08759	100.0
464.09134	8.4
465.23349	0.7
527.17920	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	526.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20417	0.2
59.01377	0.6
61.98827	100.0
71.01388	0.5
71.21390	0.5
73.02949	0.2
88.98743	0.2
89.02441	0.3
95.72417	0.2
101.02464	0.3
101.27245	0.2
113.02445	0.2
137.02469	0.2
139.04033	0.2
145.02992	0.7
146.03294	0.3
159.03035	0.5
163.04024	0.3
183.06665	0.3
191.05664	0.2
240.00386	0.2
489.15747	0.2
490.16266	1.0
525.22150	0.2
526.22540	0.2
539.28723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08680	0.2
59.01375	1.0
61.18116	0.2
61.98827	100.0
69.22401	1.7
69.22830	0.6
71.01384	1.0
73.02951	0.3
80.96493	0.2
81.55153	0.3
85.02953	0.4
85.48875	0.2
87.49165	0.2
89.02451	0.4
98.20815	0.4
101.02469	0.7
108.02168	3.5
117.03444	0.3
121.02905	0.3
122.06110	0.4
134.03784	1.2
135.04533	0.5
145.02913	1.6
149.02422	0.3
152.07191	0.9
160.01649	2.1
163.03975	0.4
164.04729	0.4
165.05203	0.3
175.00359	1.3
175.03992	2.6
176.00780	0.4
176.04805	0.3
190.02693	2.9
191.03041	1.7
191.07175	0.6
193.05066	1.6
205.05074	2.8
206.05417	2.0
223.06052	1.1
224.06458	0.4
235.06068	1.5
295.08279	0.6
307.08374	0.2
313.12262	0.3
463.16150	2.5
464.17911	0.5
465.23569	0.3
466.23721	0.8
482.19119	1.2
491.15460	4.2
491.22357	0.3
526.20142	6.1
527.21118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
59.82015	0.2
61.98825	100.0
69.40302	1.2
75.00851	0.4
80.96512	0.3
271.02753	0.3
318.16702	0.2
330.31876	0.2
447.99060	0.2
463.08398	0.2
466.23465	0.2
526.22528	0.7
527.18066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38229	0.4
59.01379	22.2
60.01709	0.8
61.88507	0.4
61.98827	100.0
63.53091	0.5
65.58685	0.4
67.18770	0.4
68.22827	0.4
70.94461	0.5
70.94781	0.6
71.01382	1.9
73.02946	1.0
83.84676	0.5
87.04510	34.9
88.04860	0.7
101.02461	1.2
113.02489	0.9
142.88281	0.4
152.46846	0.4
161.02507	0.6
161.04581	0.5
161.86865	0.4
200.80931	0.5
208.49519	0.4
209.11861	0.6
221.81656	0.4
225.11429	0.4
262.11240	0.4
377.21747	0.8
419.22882	1.2
435.34451	0.5
452.96988	0.4
463.14233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05766	0.3
59.01374	31.9
61.98825	100.0
69.63716	0.3
69.67405	1.2
69.67821	0.4
71.01379	1.6
73.02948	0.7
78.92306	0.3
85.02950	1.1
87.04506	20.7
96.96009	1.0
101.02435	1.4
111.02293	0.3
113.02456	0.8
136.67857	0.3
161.04518	0.6
307.17706	1.1
349.19009	0.4
376.91138	0.3
377.21753	2.8
419.22720	2.1
420.98950	0.3
526.28040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03438	4.1
59.01372	22.0
61.98824	100.0
64.25520	1.6
65.03940	2.4
68.99809	5.6
69.03449	5.6
70.16158	3.8
70.16546	3.1
71.01382	15.2
73.02936	16.8
75.00865	6.5
83.01376	8.5
85.02937	14.6
85.51869	1.8
87.00861	6.7
89.02431	5.1
89.52481	1.8
93.03470	2.8
94.90686	2.1
95.01382	9.6
95.10672	1.9
96.96008	9.3
97.02934	10.3
99.00867	48.6
99.04523	2.1
101.02434	16.4
108.02158	33.5
111.00870	50.9
113.02438	28.0
115.00347	1.9
116.05057	1.9
119.03430	2.5
121.06557	3.6
123.04505	17.4
129.01929	19.4
131.03474	4.4
135.04510	12.5
137.02435	5.1
139.03992	7.5
141.01926	49.8
153.05559	50.7
159.02965	99.8
161.02388	2.4
161.04532	3.4
165.05574	2.7
171.06598	21.3
177.05612	1.9
179.03384	3.0
183.06621	7.5
191.07237	1.8
210.05533	2.8
239.05482	2.6
253.07111	2.1
267.08658	3.1
277.07025	3.5
313.09195	15.2
315.10446	2.2
325.13040	2.7
370.42365	2.0
409.13150	3.7
527.13074	3.3
527.23279	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	527.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42317	0.8
55.28924	0.7
57.03434	3.3
59.01376	87.2
61.98824	1.7
65.03962	1.0
65.91747	0.7
67.42809	0.8
69.11333	0.7
71.01378	16.9
71.51102	1.3
72.01715	0.8
72.99299	0.8
73.02949	5.8
75.00851	1.1
75.51836	0.8
83.01380	2.2
85.02947	47.9
87.00880	1.8
87.52419	0.7
89.02424	4.1
93.22018	0.8
95.01354	1.7
96.95982	1.0
97.02953	1.4
99.00881	2.4
101.02445	9.8
103.04002	4.9
105.97343	0.7
109.87572	0.7
111.00947	0.8
113.02452	8.2
119.03498	1.6
129.64970	0.8
139.03957	0.9
145.05049	7.3
159.02989	2.3
161.04558	8.5
161.05759	1.2
163.06099	2.9
179.05711	1.0
186.93983	0.8
191.05566	7.0
247.08084	1.1
278.50143	0.8
305.16071	7.6
305.19397	1.2
338.44739	0.8
467.21313	100.0
468.21664	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	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22892	0.8
57.03435	1.6
58.16568	0.7
59.01379	13.3
61.98809	1.2
64.50435	0.7
69.16113	5.1
69.16543	2.2
71.01376	16.6
72.99302	4.2
73.02927	1.5
74.95035	0.7
75.00866	15.8
80.96520	1.6
83.01382	1.1
83.05062	0.7
85.02942	19.2
87.00867	6.2
89.02425	3.0
95.01371	5.5
99.00880	7.4
101.71969	0.9
102.00055	0.8
103.00377	1.6
111.00872	1.0
113.02450	25.7
115.00359	1.4
117.01925	2.2
129.01936	2.0
152.45593	0.7
157.01430	0.7
161.02382	1.6
165.39830	0.8
175.02444	3.3
193.03432	1.7
205.07106	2.3
223.08170	1.2
249.06136	6.0
267.07196	7.4
277.21689	46.4
278.21985	2.6
288.67380	0.9
434.38153	0.7
509.27808	4.0
527.28571	100.0
528.29095	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	527.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71848	0.7
53.71440	0.7
59.01375	5.1
60.34204	0.6
61.98833	5.8
70.65562	0.6
70.99039	1.8
71.05016	12.3
71.27565	0.8
77.33240	0.7
83.05023	0.8
87.00847	1.8
91.18218	0.7
97.48643	0.7
99.04508	10.8
125.02437	22.6
143.03490	4.6
161.04510	1.9
203.05592	1.4
267.26865	2.4
281.25516	1.1
281.28461	14.4
282.28757	0.7
323.29501	10.2
341.30563	100.0
342.30807	4.6
367.28503	1.1
453.07697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	30.9
60.99297	1.0
61.98827	2.2
132.80544	0.8
184.00409	1.0
199.32733	0.9
232.20503	0.7
278.97000	0.9
399.94968	0.9
441.33676	7.7
449.34238	7.2
483.34766	12.0
484.35403	1.0
486.81894	1.0
495.34760	100.0
496.35025	9.6
527.37640	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	528.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54163	0.8
58.02956	2.3
59.01385	4.3
61.06415	0.8
61.98820	5.7
65.03959	35.4
67.01917	0.8
68.99803	2.4
69.03443	9.4
71.00455	1.3
71.00771	1.0
71.01374	7.0
73.02951	1.0
83.01372	1.2
85.02948	1.7
87.00851	1.4
89.02433	2.3
91.05508	0.9
93.03452	7.9
95.05016	3.1
97.02918	1.2
99.00848	2.1
100.07637	1.1
101.02444	3.1
106.04236	2.5
107.05016	1.4
108.02171	0.9
109.06557	0.9
111.00835	1.0
113.02423	2.3
114.05601	100.0
114.09228	2.8
115.05931	1.5
119.05016	3.7
121.06586	21.1
127.00312	1.1
133.02945	9.1
133.06590	0.8
135.04506	6.3
137.06067	1.1
138.05562	2.3
139.04004	54.8
140.04350	1.0
142.08701	3.5
147.04477	1.9
156.06648	80.7
157.06978	1.2
161.02434	29.6
163.07639	1.4
165.04156	1.7
165.05559	29.0
166.05960	1.1
170.08223	10.8
179.03468	4.9
183.06610	34.5
191.05641	1.8
198.07675	3.1
209.04526	14.1
227.05598	2.9
231.26961	0.8
311.09473	3.6
327.10834	15.8
328.11221	1.1
337.03433	2.5
345.12045	2.1
365.88507	0.9
371.09729	8.8
403.93768	0.8
435.09412	2.5
475.12335	1.2
484.18207	34.8
485.18469	3.1
493.13428	3.8
528.17230	23.5
529.15002	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	528.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07428	0.2
61.98826	100.0
69.32635	1.1
69.33054	0.8
69.33605	0.2
78.57177	0.2
145.03009	1.3
160.11969	0.2
229.34370	0.3
282.67441	0.3
294.84756	0.2
449.81180	0.3
465.17621	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	528.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43570	0.1
59.01374	0.7
61.98827	100.0
68.13973	0.1
69.28580	0.7
69.29004	0.5
71.01393	0.5
73.02951	0.2
85.02981	0.3
89.02442	0.3
108.02177	3.3
109.02510	0.6
132.02145	0.4
134.03767	1.1
135.04488	0.3
136.04959	0.2
139.03944	0.2
149.06123	0.3
151.04004	0.2
160.01639	2.5
161.02238	0.9
168.10799	0.2
168.50874	0.1
175.03987	3.1
176.04323	1.1
191.05602	0.2
191.07141	0.4
192.07515	0.3
193.05060	1.5
194.05400	0.5
207.06587	0.1
219.61177	0.1
223.59181	0.1
235.06046	1.3
236.06491	0.7
265.07147	0.2
266.07480	0.3
295.08218	0.5
296.08636	0.3
387.11945	0.2
465.17590	0.5
491.15582	1.2
492.15881	3.1
493.16656	0.7
528.20490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70486	1.7
51.10572	1.7
52.91191	1.7
59.01377	100.0
69.03448	1.9
69.53284	9.6
69.53692	3.7
69.57386	1.6
71.01376	36.5
73.02946	92.6
73.19738	1.6
73.44911	1.8
79.05504	2.7
81.03439	2.9
83.01390	16.8
85.02934	7.5
89.02432	8.6
95.05032	4.3
98.20667	2.5
99.04518	13.8
101.01803	4.0
101.02435	58.4
107.04993	6.4
113.02429	10.6
119.03437	4.6
125.02427	2.0
131.03490	3.5
139.07655	3.9
142.50044	1.9
143.03468	5.3
149.04544	5.0
155.03577	3.3
156.30014	1.8
161.02438	2.5
161.04561	13.1
169.10280	2.5
171.08075	3.1
187.11264	52.1
191.05569	5.5
219.13882	17.4
221.06644	2.3
231.10217	6.8
249.11143	2.3
263.12848	77.5
263.66504	2.0
264.13120	2.9
354.52234	2.2
398.34995	2.1
485.20615	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	529.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58099	1.8
59.01374	100.0
71.01381	33.8
73.02943	80.6
74.09896	2.1
79.05552	2.9
81.03438	2.7
83.01378	16.6
85.02943	2.5
89.02417	5.0
95.05025	5.1
99.04503	6.3
101.02440	49.7
107.05013	5.5
113.02416	13.9
113.06076	3.4
119.03520	3.7
131.03511	5.3
137.95744	2.1
139.07626	3.8
143.03494	3.2
149.04576	5.0
155.03584	3.1
159.11761	4.4
161.04555	11.7
170.29114	2.5
187.11273	43.2
188.11540	2.9
219.13889	14.7
221.06471	3.0
229.34389	3.2
231.10326	2.2
243.92885	2.7
263.10211	3.2
263.12842	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01376	9.8
61.98817	1.8
63.18437	0.2
66.44496	0.2
68.96363	0.2
69.03440	0.4
69.46336	0.2
71.01373	5.6
71.07448	0.4
71.07789	0.5
72.99304	0.3
73.02949	0.9
80.56223	0.2
83.01390	0.5
85.02944	1.7
87.00897	0.9
89.02441	5.2
91.04011	0.3
93.03455	0.3
95.01384	0.4
99.00902	0.4
99.33019	0.3
101.02435	6.2
111.08170	0.4
113.02437	3.8
119.03498	1.6
125.02412	0.4
143.03505	0.4
145.70702	0.2
161.02408	0.7
161.04549	2.9
167.10764	0.2
177.12807	0.3
179.05627	1.1
179.10878	0.3
179.14407	0.9
191.05630	0.5
195.13876	9.3
196.14566	0.3
205.12350	0.8
205.15799	0.2
211.13350	0.7
223.13364	6.3
224.13982	0.4
228.13692	0.6
231.21255	0.4
253.09259	32.0
254.09503	0.6
256.13174	1.2
265.21664	0.6
275.20154	5.4
276.20529	0.2
293.21194	100.0
294.21506	5.0
295.32010	0.3
329.94955	0.2
469.31369	0.4
487.32520	0.4
492.21982	0.8
529.30402	0.4
544.08154	0.3
548.57458	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	529.3529
Annotation	Rubianol b
Peak:m/z	Relative Intensity
51.06694	0.5
59.01374	100.0
61.98832	0.6
69.14382	0.6
70.07353	1.1
70.07774	1.5
84.74280	0.5
98.20602	0.6
106.44669	0.5
113.74367	0.5
132.64412	0.5
133.02971	0.8
145.03011	0.6
161.02480	1.6
471.35443	0.6
529.36139	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	529.353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26888	0.6
59.01379	44.3
59.47022	0.6
60.13143	0.7
60.99290	2.6
61.98830	2.8
69.91858	3.1
69.92214	1.2
71.13152	0.7
75.77860	0.7
77.53274	0.8
83.75335	0.6
98.20634	0.8
124.11158	0.8
156.34987	0.8
209.56601	0.7
212.11305	0.7
289.21750	0.8
345.44925	0.8
356.84457	0.8
405.31360	1.0
407.33023	1.1
409.31137	1.4
425.33954	0.8
441.33694	4.2
445.25845	2.2
449.34387	9.8
450.34583	1.0
451.32217	2.3
465.33987	1.0
469.33099	1.4
483.34756	13.5
484.35190	1.5
495.34787	100.0
496.35110	9.2
527.33698	2.8
529.35388	15.4
530.35248	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22301	0.7
53.16906	0.6
53.38484	0.7
55.57335	0.7
59.01376	100.0
60.01716	0.8
61.98823	1.1
71.52335	1.2
73.90019	0.6
85.02959	1.2
161.02489	0.9
161.26947	0.7
191.05594	5.6
192.05989	0.8
200.49040	0.8
223.84525	0.7
283.13495	1.0
313.29984	0.7
399.14990	1.9
471.34796	1.6
529.25385	1.8
529.36511	1.6
529.75690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43185	0.2
59.01385	0.8
61.98828	100.0
67.23775	0.2
70.08768	0.5
70.09193	0.3
71.01401	0.4
72.84780	0.2
89.02443	0.3
93.03438	0.2
96.85307	0.2
101.02470	0.2
108.02145	0.3
117.03448	0.2
133.02983	0.5
135.04515	0.4
140.51720	0.2
145.02930	0.9
161.02502	1.0
162.02840	0.6
179.03610	0.2
191.05676	0.4
222.47906	0.2
229.01334	0.3
262.22839	0.2
339.05075	0.4
385.99686	0.2
389.49265	0.2
453.77512	0.2
467.19681	0.5
497.84674	0.2
530.15637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
61.98825	100.0
62.98527	0.3
63.99249	0.6
69.26175	0.3
69.26575	1.0
71.01373	0.4
71.17763	0.2
82.61693	0.2
89.02450	0.3
96.26509	0.2
96.96001	0.2
98.19816	0.3
102.53848	0.2
145.02979	0.7
161.02444	0.2
424.38519	0.2
429.18027	0.3
467.18893	0.8
530.19995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78165	0.2
56.57321	0.1
59.01382	0.6
60.82043	0.1
61.98826	100.0
69.71496	0.9
71.01398	0.3
85.02910	0.2
131.13072	0.2
131.46985	0.2
146.70467	0.2
151.04056	0.3
152.04367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00084	0.4
57.45788	0.4
59.01365	1.6
60.99291	0.7
61.98819	1.8
69.64385	0.4
71.52508	0.6
72.99311	0.8
78.95899	17.3
88.98809	4.5
89.02445	1.0
91.69763	0.4
100.70844	0.4
127.74586	0.4
152.99580	2.9
157.21431	0.4
168.04292	3.0
224.06938	9.4
228.92165	0.5
242.07950	1.8
255.23271	100.0
256.23660	4.1
326.02774	0.4
480.30911	78.9
481.31442	5.4
530.30255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41161	0.3
59.01379	4.1
61.98822	6.5
69.14404	3.2
71.01381	1.9
73.02944	0.8
79.89927	0.3
85.02953	0.7
87.00858	0.3
89.02447	1.2
93.03446	0.6
98.20692	0.6
101.02431	1.1
113.02459	0.4
117.03457	33.7
118.03780	0.7
119.05017	16.5
120.05353	0.4
123.04525	2.1
133.02956	0.4
137.06053	0.9
141.51924	0.3
143.05009	1.6
145.02943	100.0
146.03275	2.7
150.03178	0.4
151.51227	0.3
161.02464	0.5
163.03993	23.9
164.04343	0.6
176.01062	0.5
177.05611	0.5
187.03983	1.9
190.02727	0.6
191.03554	0.6
191.05634	1.7
205.05067	0.7
246.55215	0.3
331.63406	0.4
339.08572	0.3
353.08746	1.5
367.10275	1.1
487.16043	48.0
488.16418	4.7
531.15442	1.6
531.27808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.9
61.98824	2.7
69.35959	3.9
71.01379	2.8
73.02940	1.6
83.01403	0.5
85.02916	0.6
87.00848	0.6
89.02435	1.4
101.02435	1.5
101.88862	0.5
106.35804	0.4
113.02430	1.0
117.03455	34.9
118.03786	1.1
119.05016	14.0
120.05287	0.6
137.06067	1.0
143.05005	2.4
145.02942	100.0
146.03241	2.8
157.48712	0.5
163.03998	23.3
164.04343	0.7
164.72250	0.5
177.02058	0.6
187.04001	3.7
255.81577	0.7
270.27881	0.5
457.76074	0.5
487.16055	44.9
488.16385	4.3
531.28119	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.6
61.91744	0.7
61.98839	3.1
65.03973	0.7
69.03433	1.4
69.52593	0.6
70.96174	0.6
71.01380	5.5
71.53501	0.8
72.99287	1.2
73.02939	1.2
75.00883	0.6
83.01362	1.1
85.02956	2.9
87.00869	0.9
89.02441	1.9
95.01378	1.2
96.96018	0.8
97.02914	0.7
99.00874	1.5
101.02438	3.2
111.00864	0.9
113.02448	3.9
115.00372	0.9
116.03339	0.7
117.03449	0.7
119.03500	0.8
119.05000	2.1
121.02965	0.9
122.03712	0.8
132.02174	6.1
133.02950	1.5
134.03735	16.7
137.02461	1.1
138.93460	0.6
139.04016	1.4
141.01897	4.8
149.02415	2.2
149.06084	3.9
150.02357	0.6
150.03226	5.6
157.08701	1.4
159.03008	3.5
160.01645	44.4
161.02232	1.8
161.04558	1.7
161.05995	0.6
163.03973	1.1
164.33376	0.6
165.05542	7.4
175.03981	70.9
176.04326	1.8
178.02701	3.1
180.49530	0.6
185.00870	0.9
191.05653	0.8
193.05051	24.7
194.05396	1.2
195.06575	1.7
264.57523	0.7
279.24411	0.6
282.08899	1.0
341.10300	1.7
487.21719	0.7
495.18695	100.0
496.19019	8.6
531.14801	8.5
531.22375	0.7
532.15601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3689
Annotation	Alisol E 23-acetate
Peak:m/z	Relative Intensity
51.38579	1.8
56.90412	2.2
59.01376	100.0
61.98818	8.0
78.95889	6.3
89.98363	2.1
100.60511	1.8
121.75463	1.7
133.14993	1.9
147.04507	3.1
147.81207	2.0
229.36330	2.5
391.89471	2.4
471.34766	66.8
472.34982	6.4
473.35327	4.7
531.30408	41.6
532.30377	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	531.3687
Annotation	Rubianol d
Peak:m/z	Relative Intensity
59.01375	100.0
60.01712	0.6
61.98833	0.5
65.98038	0.2
70.36983	0.5
70.37358	0.2
72.80457	0.2
72.86111	0.2
75.20969	0.2
88.98796	0.4
89.02386	0.2
90.61806	0.2
129.92789	0.2
141.82977	0.2
151.94962	0.1
174.27185	0.2
257.00809	0.2
372.36142	0.2
469.36868	0.6
471.35217	0.2
531.36786	1.5
538.44507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	15.8
60.80761	1.7
61.98825	32.9
63.85057	1.7
65.03959	47.7
66.04308	2.2
66.92619	1.6
68.99820	3.4
69.03453	12.9
69.78091	5.7
69.78500	3.3
71.01373	17.0
73.02950	5.6
83.01393	3.2
84.04547	2.7
85.02950	12.2
88.04037	45.8
89.02434	9.9
93.03455	7.5
95.05031	3.8
99.00886	4.9
101.02438	11.6
106.04305	4.4
112.04031	9.1
113.02443	11.8
119.03513	3.0
119.05030	4.9
121.06588	31.2
123.04562	2.3
130.05084	29.0
139.04001	77.2
140.04327	3.2
160.06177	15.0
161.02420	3.9
161.04501	2.2
163.04156	1.9
165.05559	45.9
166.56151	1.6
168.05573	1.4
172.06119	2.4
183.06622	37.1
207.06586	2.3
207.65787	1.6
209.04517	24.0
216.02061	1.7
227.05562	3.8
327.10712	7.2
345.11850	32.1
346.12357	2.8
371.09723	13.5
371.13712	2.2
389.10846	100.0
390.11194	4.0
451.11688	2.1
458.16516	10.3
488.17426	1.8
502.15616	53.9
503.16132	3.8
515.14917	2.1
532.16614	50.5
533.16998	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	532.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.2
61.98828	100.0
71.01370	1.4
71.52197	0.3
73.02948	0.4
83.01388	0.4
85.02966	0.3
89.02440	0.9
99.00914	0.3
101.02460	0.8
108.02191	0.2
113.02483	0.2
131.03511	0.3
136.01683	0.4
149.04526	0.4
151.04027	0.4
151.73462	0.3
161.04657	0.3
163.00429	0.5
175.17192	0.2
176.01205	0.9
190.99873	1.4
191.05644	0.4
192.00638	2.6
205.05037	0.4
219.06635	0.5
400.24265	0.2
469.18619	2.3
532.28760	0.9
533.14490	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	532.9809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62018	0.4
58.87067	0.3
59.01374	63.4
60.01696	0.4
60.14575	0.3
61.98824	10.3
66.00721	0.3
69.44196	2.3
90.97134	1.3
98.19901	0.7
105.99524	0.4
114.98862	0.5
118.96594	1.1
132.98195	2.4
152.94395	0.3
156.99902	1.2
168.79361	0.3
174.99222	29.4
175.99580	0.5
201.02470	0.5
217.00267	100.0
218.00635	2.2
314.98694	0.9
359.01486	0.9
374.99176	76.2
375.99554	2.3
532.97498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0934
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
58.20064	1.4
59.01377	16.3
61.61084	1.4
61.98825	16.1
66.94107	1.1
67.30845	1.1
69.03450	2.4
69.73077	4.4
69.73486	2.4
71.01373	6.5
73.02937	3.0
74.74049	1.3
75.00883	1.3
85.02940	2.5
87.00887	1.4
88.98796	2.2
89.02419	3.5
93.03471	2.2
98.00090	1.5
98.19948	1.4
101.02441	3.7
101.06074	1.9
107.01434	2.8
109.02939	1.8
113.02417	4.0
115.43529	1.2
117.03455	4.0
119.03518	1.6
119.04980	2.7
123.00866	4.8
123.04490	1.3
124.01659	3.8
129.05560	1.7
132.02162	1.5
133.02943	1.7
135.00891	1.8
137.02393	1.1
143.03476	2.4
143.05048	1.4
143.07133	1.0
145.02948	14.3
150.03189	2.3
151.03931	1.9
161.02467	9.1
161.04541	2.1
161.05980	1.9
163.00352	2.4
163.04016	6.0
174.03186	1.3
175.04030	5.9
176.04781	2.3
177.42361	1.3
179.05582	1.8
185.06146	2.4
187.03947	4.5
189.01918	3.4
189.05569	1.4
190.02734	6.5
191.07080	2.1
200.36728	1.1
204.04204	2.7
205.05019	10.7
211.04007	2.3
213.05406	1.5
227.03476	28.0
229.05064	9.2
239.03513	2.0
251.07036	1.4
255.02971	58.5
256.03528	4.7
257.04492	5.9
284.03250	80.8
285.04019	100.0
286.04337	4.5
312.09976	1.2
323.05759	1.3
327.08740	2.2
327.12311	1.9
341.06607	2.0
341.10181	2.4
352.88089	1.1
353.10324	10.1
354.10831	1.4
355.08081	1.9
356.08987	8.9
371.11298	69.6
372.11557	3.7
489.10315	61.2
490.10434	3.2
501.13983	4.5
533.16705	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	533.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89492	0.8
55.01870	1.7
57.03446	14.2
59.01379	44.5
61.98811	4.2
65.03960	53.9
68.99807	2.5
69.03442	10.6
71.01015	1.7
71.01377	23.1
71.52379	1.3
72.99295	1.3
73.02942	9.7
75.00851	1.9
81.03453	2.0
83.01384	4.8
85.02948	7.9
87.00857	2.5
89.02443	11.8
91.05508	1.4
93.03445	7.5
95.01394	2.2
95.05012	5.4
97.02934	1.6
99.00865	4.6
99.04514	3.4
101.02443	19.8
103.05544	1.7
106.04259	2.1
107.04994	1.7
108.02158	1.3
110.44721	1.1
113.02440	12.4
119.03534	4.6
119.05032	4.4
119.05751	0.9
121.02958	1.6
121.06583	29.6
123.04504	2.6
125.02458	1.2
135.04500	2.6
138.73714	0.9
139.04002	76.1
140.04300	2.2
141.01878	1.2
143.03510	2.2
149.49489	0.9
157.08664	2.7
161.02396	3.5
161.04523	7.4
163.07652	1.7
165.05551	40.2
179.03456	1.2
179.05450	1.1
183.06604	51.6
184.06891	1.3
184.29277	1.0
184.30894	1.2
191.05614	2.1
207.06668	1.0
209.04520	10.1
225.07538	1.4
227.05592	3.6
301.12988	1.2
319.13956	28.8
323.09616	1.9
327.10742	2.4
345.11896	26.7
346.12234	1.2
371.09747	1.8
387.12979	13.0
389.10867	100.0
390.11139	4.7
427.15866	2.0
431.11908	37.0
432.12073	2.6
471.15067	8.6
515.13672	1.5
533.14960	32.5
533.22662	1.3
534.15228	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	533.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90833	0.2
57.03431	0.3
59.01373	1.0
67.01894	0.4
71.01387	0.8
71.51148	0.4
73.02933	0.3
75.02843	0.3
78.12102	0.3
85.02943	8.2
87.00855	2.0
93.03455	2.6
99.04515	0.6
109.02962	0.6
111.04522	0.8
127.04013	2.0
129.01886	0.3
147.03075	0.3
148.94986	0.8
160.93600	0.3
171.02922	0.5
173.04520	0.8
190.96010	0.9
191.05591	100.0
192.05972	2.4
242.87529	0.2
303.12103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
57.51941	0.3
59.01375	9.3
60.99297	15.5
61.98822	6.1
71.01369	3.9
72.49761	0.3
73.02934	1.7
83.01376	0.9
85.02948	1.5
87.00877	1.0
87.61409	0.4
88.98795	100.0
89.02422	2.2
89.99120	0.5
99.00832	0.7
101.02441	3.1
113.02437	1.2
117.32722	0.3
128.57318	0.4
133.02939	0.9
135.04521	0.9
143.03450	0.4
145.02885	0.3
149.04556	0.8
161.02423	1.4
161.04541	0.9
179.03520	0.5
179.05637	0.4
279.82800	0.4
286.05096	0.3
329.17444	0.8
329.23282	0.8
334.56522	0.4
371.15070	0.9
400.24115	0.5
429.21426	1.0
448.10919	0.4
473.31393	0.6
489.25446	0.5
532.27966	0.6
533.14386	1.4
533.22510	0.7
533.29242	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	533.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
57.51941	0.3
59.01375	9.3
60.99297	15.5
61.98822	6.1
71.01369	3.9
72.49761	0.3
73.02934	1.7
83.01376	0.9
85.02948	1.5
87.00877	1.0
87.61409	0.4
88.98795	100.0
89.02422	2.2
89.99120	0.5
99.00832	0.7
101.02441	3.1
113.02437	1.2
117.32722	0.3
128.57318	0.4
133.02939	0.9
135.04521	0.9
143.03450	0.4
145.02885	0.3
149.04556	0.8
161.02423	1.4
161.04541	0.9
179.03520	0.5
179.05637	0.4
279.82800	0.4
286.05096	0.3
329.17444	0.8
329.23282	0.8
334.56522	0.4
371.15070	0.9
400.24115	0.5
429.21426	1.0
448.10919	0.4
473.31393	0.6
489.25446	0.5
532.27966	0.6
533.14386	1.4
533.22510	0.7
533.29242	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	533.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
57.51941	0.3
59.01375	9.3
60.99297	15.5
61.98822	6.1
71.01369	3.9
72.49761	0.3
73.02934	1.7
83.01376	0.9
85.02948	1.5
87.00877	1.0
87.61409	0.4
88.98795	100.0
89.02422	2.2
89.99120	0.5
99.00832	0.7
101.02441	3.1
113.02437	1.2
117.32722	0.3
128.57318	0.4
133.02939	0.9
135.04521	0.9
143.03450	0.4
145.02885	0.3
149.04556	0.8
161.02423	1.4
161.04541	0.9
179.03520	0.5
179.05637	0.4
279.82800	0.4
286.05096	0.3
329.17444	0.8
329.23282	0.8
334.56522	0.4
371.15070	0.9
400.24115	0.5
429.21426	1.0
448.10919	0.4
473.31393	0.6
489.25446	0.5
532.27966	0.6
533.14386	1.4
533.22510	0.7
533.29242	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	533.2022
Annotation	3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.78490	0.1
55.01874	2.7
57.83407	0.1
59.01376	2.1
61.98835	0.7
69.03421	0.1
70.60475	0.3
71.01376	1.9
73.02929	0.5
83.01381	86.7
84.01703	1.0
85.02951	0.4
89.02426	0.5
89.78958	0.1
93.03452	1.0
99.00849	0.2
101.02450	0.6
113.02457	0.4
117.03450	0.2
119.03501	0.2
121.02946	18.8
122.03848	0.6
123.00876	3.7
123.04454	0.2
135.04500	0.1
136.05287	27.7
137.06119	0.7
138.03217	2.0
145.02950	1.0
147.04446	0.8
149.06021	0.2
151.07726	0.2
154.02676	0.2
161.02480	0.2
161.04524	0.4
161.06065	1.1
168.04265	11.5
169.04570	0.2
175.07869	0.1
176.08400	0.2
191.07146	0.2
195.06541	0.2
209.08151	0.3
235.09732	2.7
258.70129	0.1
279.08701	0.2
290.81418	0.1
295.13477	0.2
312.13553	0.5
327.15753	0.1
329.13272	0.1
352.92523	0.1
353.23544	0.2
356.12613	6.9
357.13107	0.3
371.14932	100.0
372.15302	5.9
372.20142	0.2
387.16275	0.5
473.27383	0.2
523.23865	0.1
533.22528	0.4
533.29730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53016	0.6
54.32457	0.6
55.22388	0.6
55.64698	0.6
59.01375	100.0
60.01718	0.7
60.99301	7.3
61.98823	4.6
68.99571	3.1
69.41993	4.2
71.01379	5.7
72.99313	0.9
73.02950	3.7
83.01402	1.9
84.95124	0.8
85.02944	5.5
87.00867	5.7
88.98801	52.5
89.02435	1.9
93.01514	0.6
93.03465	0.8
96.85570	0.7
98.68274	0.7
99.00885	2.6
101.02408	3.9
112.98564	4.3
113.02438	5.1
119.03526	0.8
121.02963	0.8
123.04529	1.6
125.02399	0.7
125.06074	1.2
131.03464	0.8
141.05585	1.7
143.03497	1.2
145.02997	1.5
153.63812	0.7
159.67496	0.7
161.02438	1.0
161.04588	2.8
169.05096	1.0
191.74013	0.6
251.00203	0.6
251.83957	0.8
315.18219	0.9
355.17557	0.9
356.12909	0.9
371.15152	1.8
429.21179	16.6
429.26355	0.9
430.21890	1.4
447.22284	11.5
489.23608	1.9
533.29211	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	533.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03453	0.9
58.00595	0.3
59.01377	100.0
60.01709	0.6
61.98830	1.8
69.03449	0.4
70.41990	0.9
71.01382	8.6
72.99314	0.5
73.02948	3.5
75.00830	0.2
83.01385	3.7
85.02946	5.9
87.00900	0.7
89.02448	0.3
95.01389	1.0
97.02944	0.5
99.00898	1.7
101.02435	6.5
111.00904	1.0
112.01696	0.3
113.02444	4.0
115.04031	0.4
125.02446	0.8
143.03499	1.0
159.02966	0.5
161.02507	0.6
161.04576	1.4
161.05788	0.2
185.90216	0.2
211.13443	0.3
234.73236	0.2
237.14842	0.3
267.28244	0.2
281.24927	0.5
283.26480	2.2
329.30579	2.6
407.15182	0.5
416.15857	0.9
425.32813	0.4
443.33957	0.3
473.34787	32.0
474.35278	3.0
487.34271	2.7
488.34509	0.4
491.35849	23.8
492.11411	0.2
492.36038	2.4
533.36475	1.0
534.20300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03442	1.0
59.01374	100.0
60.01707	0.9
61.98817	1.3
64.91886	0.2
66.41104	0.2
69.03445	0.2
69.14185	1.9
71.01376	12.7
72.99314	0.5
73.02940	3.5
83.01383	2.3
85.02946	7.1
85.03460	0.4
86.00093	0.3
87.00869	0.9
88.98814	0.6
89.02435	2.1
95.01374	1.0
96.76447	0.2
97.01320	0.2
97.02951	0.5
99.00867	1.3
101.02433	6.6
104.65538	0.2
110.71043	0.2
111.00874	0.5
113.02444	6.5
115.03996	0.3
116.52855	0.2
119.03512	0.5
124.01682	0.2
125.02447	0.5
129.01924	0.3
143.03482	1.3
143.29503	0.2
159.03015	0.5
161.04514	3.1
162.04875	0.2
177.19206	0.2
191.47324	0.2
203.55403	0.2
267.23236	0.3
270.05597	0.2
283.26462	0.9
287.95175	0.2
329.17636	0.4
329.30588	1.9
339.94687	0.2
399.31042	0.3
439.95129	0.2
441.57642	0.2
473.34787	25.6
474.35312	1.7
491.35846	24.1
492.36185	1.8
533.24200	0.4
533.37506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69181	1.2
59.01377	99.2
61.13122	1.1
61.37256	1.1
61.98825	100.0
69.54790	7.1
71.01376	22.8
72.99285	1.4
73.02953	9.4
74.02456	1.6
83.01397	3.1
85.02934	7.6
86.92087	1.1
87.00872	2.2
89.02437	13.4
89.77911	1.1
95.01385	1.8
97.02958	1.6
101.02436	15.1
108.02168	3.0
109.02955	3.0
113.02426	15.1
119.03494	6.5
123.04510	1.8
123.08124	1.0
126.35806	1.1
128.03532	3.4
131.03391	1.1
133.02940	3.8
135.04509	2.6
136.01663	2.7
138.06831	6.9
139.07666	2.4
142.46765	1.0
143.03513	2.1
143.04593	3.2
149.06065	1.4
151.03955	3.9
151.07634	8.3
152.08434	13.0
153.09209	33.6
154.09625	1.1
158.43390	1.2
159.04471	1.6
160.05289	3.0
161.02466	9.0
161.04492	5.3
165.05521	1.4
172.05249	1.3
173.06064	4.4
179.03391	1.4
179.05640	1.9
179.10744	1.1
186.67210	1.2
205.12318	15.0
217.04991	4.5
223.13371	7.9
231.06631	1.6
296.10550	1.3
306.07608	10.1
313.10815	3.5
355.11780	4.8
367.17566	49.8
368.17938	2.8
373.12881	24.2
385.18631	7.5
427.19693	39.5
428.19974	2.6
493.23523	1.3
534.47778	1.3
535.27515	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	534.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28567	0.4
55.01899	0.5
57.03453	0.6
58.00586	1.0
59.01376	64.8
60.01723	0.6
61.98826	100.0
63.12381	0.5
64.15627	0.5
69.03400	0.5
71.01376	16.9
71.51796	0.7
72.99298	1.2
73.02941	11.3
83.01375	3.3
85.02943	4.8
87.00874	1.3
89.02441	11.7
95.01380	1.8
99.00860	0.7
101.01814	1.0
101.02438	15.7
103.43991	0.4
109.02903	0.9
113.02444	12.4
119.03487	6.4
123.00822	0.7
125.02391	0.8
131.03444	1.8
134.68250	0.5
143.03491	3.4
147.04381	0.5
149.04527	3.4
151.03954	1.1
153.09123	1.4
161.02370	0.8
161.04553	8.8
165.09126	1.1
173.05960	0.7
179.05463	2.1
186.35265	0.5
193.12297	0.7
203.05466	0.9
221.06627	2.2
222.50804	0.5
223.13237	1.3
251.05057	0.5
271.95154	0.5
298.08145	1.2
306.07333	0.6
313.10764	3.3
358.10040	0.5
367.16986	1.0
373.12869	8.5
385.17981	1.4
427.19666	6.6
427.24933	1.0
428.19458	0.7
475.21732	10.0
493.22864	8.2
535.17352	0.9
552.76398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03439	2.2
59.01373	74.5
60.01720	1.1
60.99303	1.3
61.98826	100.0
69.03447	1.3
71.01383	14.4
72.99306	0.9
73.02946	7.6
83.01379	3.6
85.02945	4.3
87.00871	1.1
88.98791	11.3
89.02431	5.7
93.03477	0.9
96.96016	0.7
97.02950	1.3
98.19917	1.4
101.02435	9.7
110.60580	0.7
113.02454	8.1
117.03436	1.0
119.03512	2.0
119.05028	0.8
121.02962	2.3
131.03406	0.9
133.03004	3.7
135.04512	6.1
137.02451	1.2
143.03487	1.4
145.02966	0.9
146.03712	0.8
150.03215	0.8
159.03053	0.9
160.03972	1.0
161.02419	14.3
161.04601	2.6
162.02859	1.6
163.11255	3.5
165.05583	0.9
165.09206	0.9
179.03473	4.4
181.12318	12.6
187.04131	0.8
187.11339	1.2
189.12866	2.1
190.09969	2.5
191.05635	1.4
201.05682	1.0
202.06357	2.0
203.03708	0.7
203.05592	1.9
205.12286	5.4
217.22826	0.7
223.13545	1.4
229.12444	1.1
247.13515	1.6
327.15906	0.8
341.26935	0.7
349.16559	1.5
357.13226	0.9
367.17651	3.0
372.15192	1.4
407.15244	4.2
409.18631	1.2
416.15613	8.3
416.66174	3.1
427.19687	6.2
431.26657	1.5
533.29871	2.3
534.20258	8.5
534.29706	3.4
534.70532	3.4
535.19916	1.1
546.33911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03439	2.2
59.01373	74.5
60.01720	1.1
60.99303	1.3
61.98826	100.0
69.03447	1.3
71.01383	14.4
72.99306	0.9
73.02946	7.6
83.01379	3.6
85.02945	4.3
87.00871	1.1
88.98791	11.3
89.02431	5.7
93.03477	0.9
96.96016	0.7
97.02950	1.3
98.19917	1.4
101.02435	9.7
110.60580	0.7
113.02454	8.1
117.03436	1.0
119.03512	2.0
119.05028	0.8
121.02962	2.3
131.03406	0.9
133.03004	3.7
135.04512	6.1
137.02451	1.2
143.03487	1.4
145.02966	0.9
146.03712	0.8
150.03215	0.8
159.03053	0.9
160.03972	1.0
161.02419	14.3
161.04601	2.6
162.02859	1.6
163.11255	3.5
165.05583	0.9
165.09206	0.9
179.03473	4.4
181.12318	12.6
187.04131	0.8
187.11339	1.2
189.12866	2.1
190.09969	2.5
191.05635	1.4
201.05682	1.0
202.06357	2.0
203.03708	0.7
203.05592	1.9
205.12286	5.4
217.22826	0.7
223.13545	1.4
229.12444	1.1
247.13515	1.6
327.15906	0.8
341.26935	0.7
349.16559	1.5
357.13226	0.9
367.17651	3.0
372.15192	1.4
407.15244	4.2
409.18631	1.2
416.15613	8.3
416.66174	3.1
427.19687	6.2
431.26657	1.5
533.29871	2.3
534.20258	8.5
534.29706	3.4
534.70532	3.4
535.19916	1.1
546.33911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.9
59.29104	0.2
61.98825	100.0
69.03462	0.4
69.86353	1.0
71.01376	1.9
73.02930	0.4
74.97881	0.2
81.75896	0.2
85.02960	0.9
87.93407	0.2
89.02442	0.9
101.02472	0.6
109.41719	0.2
113.02455	0.8
119.03495	0.3
121.66921	0.3
128.20438	0.3
132.42616	0.3
133.02928	1.3
135.04489	1.6
139.07651	1.2
161.02449	4.2
162.83859	1.2
179.03528	1.0
189.68021	0.3
197.11879	0.3
199.13278	0.3
203.42776	0.3
211.13429	1.5
227.98712	0.3
285.18707	0.8
287.20389	0.7
291.19620	1.3
313.18295	0.4
326.00058	0.3
331.19257	0.8
344.60434	0.3
407.15613	0.8
416.15906	1.8
416.66251	0.3
471.25952	12.6
472.26428	0.8
475.23648	0.9
493.24576	0.5
534.20392	1.7
534.70636	0.4
535.26086	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	534.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
59.17267	0.3
61.98825	100.0
67.15739	0.3
71.15225	0.4
71.15568	0.5
90.25782	0.3
95.66839	0.3
100.46569	0.3
111.40186	0.3
117.95992	0.3
133.02971	0.7
145.43546	0.3
161.02441	2.1
168.59824	0.3
175.23601	0.3
179.03555	0.7
407.15475	1.2
407.65536	0.5
416.15482	2.2
416.66095	0.6
431.15518	0.3
534.20154	2.1
534.70831	1.1
535.20953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41000	0.3
56.47800	0.3
57.70237	0.3
59.01363	1.8
61.98825	100.0
69.31499	0.6
69.31917	1.8
76.40461	0.4
83.87775	0.4
87.81841	0.3
109.85363	0.3
161.02498	1.1
201.52060	0.4
205.30849	0.3
264.45438	0.3
410.19427	0.4
410.85489	0.3
471.34973	0.7
534.20514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.0
60.35766	1.0
61.98587	1.0
61.98826	9.4
65.03948	3.1
65.55674	1.0
68.99809	1.2
69.03480	1.3
70.36894	2.3
70.37225	2.5
71.01392	7.1
72.99319	2.0
73.02915	2.1
81.03412	1.1
83.01375	6.1
85.02950	2.2
87.00909	1.8
88.98792	2.7
89.02438	4.2
93.03461	2.1
95.01366	1.4
96.95966	1.8
99.00862	8.6
101.02425	3.9
107.05002	1.3
108.02161	2.2
109.02953	11.1
113.02457	3.5
115.00343	3.9
119.03504	2.2
119.04978	1.7
121.06612	5.1
123.04491	1.4
123.74426	1.1
126.48098	1.1
129.05562	1.7
129.68616	1.0
131.03569	1.6
133.02907	3.4
135.04504	4.5
137.02434	1.6
139.00372	1.4
139.03998	6.7
143.03391	1.1
145.02943	2.3
147.04480	5.9
148.05261	3.5
149.06070	100.0
150.06389	2.5
151.03960	1.7
157.07730	1.4
159.02968	2.0
161.02425	11.2
161.04552	2.2
161.06042	3.0
163.04019	7.2
163.06055	1.9
165.01865	2.3
165.05553	8.3
175.02525	2.3
175.03958	19.2
177.01906	14.5
177.05536	2.8
179.03497	1.3
179.05495	1.3
181.05046	1.3
183.06592	2.5
187.03975	3.5
189.05545	2.9
191.03525	2.7
191.05502	2.1
192.04231	2.0
193.05032	21.6
203.07097	2.6
205.05005	2.0
206.02138	1.7
209.04488	2.1
215.03520	2.0
219.02969	41.3
219.07608	1.6
220.03226	2.2
229.04910	1.3
231.06619	3.4
233.04520	15.0
237.04019	69.2
238.04330	1.8
255.05086	1.4
259.02380	3.4
273.03781	1.3
275.05640	3.4
277.03348	6.5
285.11328	1.1
293.06635	3.8
297.31113	1.1
319.04614	5.5
337.05618	93.8
338.05841	5.0
381.08255	5.8
389.10602	1.6
399.09058	6.5
439.08984	5.5
481.09869	15.3
491.17368	1.6
499.10919	79.3
500.11050	6.2
535.08557	7.3
535.17102	12.3
536.17908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24175	0.6
57.03430	0.7
59.01377	18.6
59.60310	0.7
61.98825	18.1
63.02739	0.6
65.03959	21.8
65.56828	0.6
66.04237	0.8
68.99816	3.6
69.03461	4.4
69.50712	3.4
71.01382	7.9
73.02954	2.2
80.51098	0.6
83.01360	0.9
85.02953	2.4
89.02446	4.2
89.53705	0.7
93.03458	4.6
95.01405	0.6
95.05025	2.5
99.00886	3.0
101.02438	5.2
106.04263	1.6
107.04979	0.7
108.39631	0.6
108.88628	0.6
113.02446	5.2
117.03464	22.4
119.03507	1.2
119.05018	13.6
121.02988	1.1
121.06591	12.7
133.06583	2.1
135.04568	1.1
137.02490	0.8
137.06053	0.9
139.04007	48.0
140.04359	0.9
145.02943	100.0
146.03296	3.2
147.04503	1.2
151.03963	1.6
161.04700	1.0
161.06091	4.9
163.03998	12.0
165.04173	1.0
165.05560	15.6
177.05573	1.5
183.06609	16.4
187.03969	1.2
191.05638	1.2
205.05046	6.8
209.04541	17.2
227.05565	1.8
235.06143	4.8
265.07162	13.2
287.05405	0.7
307.08240	1.3
325.09290	7.6
343.11957	1.3
345.11893	12.6
355.11963	1.1
358.10367	1.8
373.12888	6.2
389.10883	39.8
390.11108	1.8
415.23206	1.0
429.21304	1.5
447.16501	1.6
491.15460	9.0
492.15762	1.0
535.14532	30.7
536.14850	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	535.1458
Annotation	Vaccinoside
Peak:m/z	Relative Intensity
59.01376	12.1
60.99297	2.6
61.98833	3.6
65.03959	21.4
65.16434	0.6
68.99829	3.2
69.03441	3.4
71.01380	9.1
71.53179	0.7
72.99311	1.1
73.02948	3.0
83.01379	1.5
85.02927	3.5
88.98802	19.2
89.02426	4.3
91.05527	0.8
91.50015	0.6
93.03455	5.2
95.01377	1.2
95.05030	2.7
95.29205	0.9
99.00876	2.8
101.02427	6.2
106.04229	0.8
107.05042	1.0
109.03020	0.8
113.02458	4.7
115.58595	0.6
117.03465	21.9
117.04299	1.4
118.03771	0.9
119.03531	1.8
119.05020	13.8
121.02966	1.5
121.06583	13.1
123.04517	1.0
133.06607	2.0
135.08185	0.8
139.04005	45.8
139.07599	0.9
140.04326	0.9
145.02945	100.0
146.03296	2.7
149.02513	0.7
159.92392	0.7
161.02393	1.2
161.04549	1.7
161.06075	5.6
163.04002	13.6
165.05548	14.5
175.03929	0.8
177.05649	1.7
183.06592	13.9
188.00557	0.7
190.02734	2.2
191.05618	1.1
191.07224	0.7
197.04520	0.9
197.08177	1.0
205.05067	7.6
209.02544	0.7
209.04527	15.2
209.06380	1.3
214.95203	0.7
227.05560	1.3
235.06125	5.1
265.07123	10.6
269.13733	0.8
277.69327	0.7
307.08197	2.7
320.94550	0.7
325.09146	7.4
345.11816	10.1
373.13000	1.4
389.10883	38.3
390.11029	1.8
401.14697	1.1
447.16861	1.1
491.15579	10.3
491.22229	1.3
492.16129	1.0
535.14514	23.5
535.27570	2.1
536.15784	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.0
57.03430	2.2
58.00591	1.3
59.01379	33.2
61.98832	8.5
65.03962	54.1
66.97514	1.0
68.99817	3.6
69.03452	13.0
70.34554	1.1
71.01378	27.7
71.52133	1.7
72.99313	2.8
73.02945	9.8
81.03465	2.6
83.01381	4.2
85.02946	15.3
87.00851	5.2
88.98798	1.2
89.02437	14.7
93.03456	9.5
95.01408	2.2
95.05029	6.8
97.02941	1.5
99.00897	7.0
101.02435	19.9
103.05578	1.5
106.04242	2.7
107.04980	2.3
108.02178	1.5
113.02448	9.7
117.05589	6.6
119.03535	4.9
119.05024	4.8
121.02947	1.2
121.06586	34.3
122.06931	1.3
123.04531	1.4
127.03988	1.4
129.01978	2.5
133.02951	1.1
135.04498	1.3
137.06084	2.6
139.04005	84.5
139.07623	2.6
140.04375	1.6
145.05061	12.4
147.04533	1.7
151.07629	1.1
155.07071	1.1
159.02995	3.4
161.04515	5.5
161.05772	1.0
162.45084	1.0
163.03987	1.5
163.06120	36.2
163.07475	1.6
165.05547	49.6
179.05612	1.9
181.05078	1.4
183.06607	52.0
184.06953	1.5
184.96352	1.0
191.05605	2.2
207.06561	1.5
209.04518	19.3
227.05583	4.0
233.06674	1.5
254.19003	1.2
285.11285	1.6
319.14111	6.7
345.11865	47.4
346.12207	3.2
361.14911	1.7
371.09756	13.1
389.10855	100.0
390.11258	5.0
464.57932	1.2
535.16638	84.5
536.17145	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	535.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56591	0.6
57.03452	1.1
58.00591	1.1
59.01375	52.5
61.98830	12.8
65.03938	1.0
67.01894	1.1
69.03436	0.7
71.01375	23.8
71.51901	1.0
72.99280	1.3
73.02930	6.4
73.37711	0.7
75.00877	0.8
83.01382	2.6
85.02946	7.6
87.00871	2.9
89.02437	21.3
95.01380	3.5
99.00883	1.6
99.04488	1.0
101.02431	15.6
108.02160	7.0
109.02945	6.2
111.00896	2.7
113.02444	15.3
118.98048	1.0
119.03491	8.6
121.02948	2.8
123.00887	5.8
123.04509	3.8
124.01646	3.3
125.02396	1.0
128.03490	1.5
131.03471	1.0
133.02960	4.5
134.03720	3.0
135.04517	3.4
136.01648	10.7
137.02429	1.3
139.03996	1.9
143.03493	2.3
143.04591	1.4
144.04807	0.7
145.02962	1.2
146.03712	1.8
147.04510	5.6
148.01657	2.6
148.05302	2.4
149.02406	1.2
149.04564	1.8
149.06065	1.5
150.03244	1.1
151.03999	15.1
153.05579	2.6
159.04520	1.5
160.01662	1.8
160.05278	1.4
161.02438	14.7
161.04523	4.4
161.05795	1.1
162.03154	2.0
162.06880	1.8
163.04016	7.0
165.05553	1.5
167.03378	0.9
172.05307	1.3
173.02457	2.5
173.06023	4.3
174.03113	0.9
175.03979	3.8
175.07555	1.0
177.05545	2.3
179.03455	2.8
179.05591	3.0
179.07057	1.6
181.05110	1.4
181.70659	0.8
183.06595	2.4
187.03931	1.2
188.04799	3.4
189.05649	1.6
191.07201	1.1
193.04999	2.8
197.04523	3.2
198.18558	0.7
200.04810	0.8
203.03528	0.9
204.04288	1.0
206.05780	0.7
207.06726	1.0
209.11784	0.9
211.06087	0.9
217.05031	2.8
219.06490	1.6
221.08293	1.1
231.06654	2.2
251.05695	0.8
267.06653	0.9
269.08136	2.2
278.85468	0.8
295.06195	1.1
298.08420	10.5
306.07648	2.0
307.07831	0.9
310.08426	3.0
313.10782	40.6
314.11108	2.4
325.10852	2.6
331.17917	1.1
343.08148	1.5
343.11758	7.2
355.11935	4.6
358.10590	4.0
373.12872	100.0
374.13150	6.4
475.21698	19.2
476.21884	2.0
481.17020	6.4
493.22903	20.4
494.23483	1.5
499.18121	5.0
500.18579	0.8
503.16699	2.4
517.13422	2.1
535.14020	8.6
536.15118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03451	1.5
58.00591	2.3
59.01377	100.0
60.01704	0.6
61.98829	6.1
69.03460	0.6
69.71386	3.1
70.92932	0.6
71.01377	50.6
72.99296	4.1
73.02940	10.3
73.65890	0.6
83.01382	4.3
85.02947	15.2
87.00892	2.4
89.02438	43.1
95.01376	5.0
97.02960	1.5
99.00900	2.6
99.23268	0.6
99.40442	0.5
100.69426	0.6
101.02437	30.5
108.02153	1.1
109.02943	0.8
113.02442	36.7
114.02795	0.8
119.03497	19.6
119.04346	1.1
119.99746	0.6
123.00860	1.5
124.01665	1.7
125.02463	1.9
131.03511	3.2
136.01720	0.8
143.03488	5.4
147.04572	1.2
149.04532	2.3
151.04034	1.4
161.02512	1.2
161.04547	10.7
161.05869	0.8
174.68767	0.5
175.04079	0.7
179.05605	8.9
188.04771	1.1
189.05537	0.6
191.05688	0.9
298.08536	2.1
313.07401	1.0
313.10818	8.4
313.16605	2.4
331.17712	1.4
355.17862	0.9
373.12845	14.9
373.17722	0.9
374.13370	1.2
383.15018	0.5
427.19897	0.7
429.21201	0.9
475.21793	47.6
476.22281	3.6
493.22870	45.7
494.23212	3.8
497.20300	0.8
535.17578	3.1
535.24573	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	535.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03451	1.5
58.00591	2.3
59.01377	100.0
60.01704	0.6
61.98829	6.1
69.03460	0.6
69.71386	3.1
70.92932	0.6
71.01377	50.6
72.99296	4.1
73.02940	10.3
73.65890	0.6
83.01382	4.3
85.02947	15.2
87.00892	2.4
89.02438	43.1
95.01376	5.0
97.02960	1.5
99.00900	2.6
99.23268	0.6
99.40442	0.5
100.69426	0.6
101.02437	30.5
108.02153	1.1
109.02943	0.8
113.02442	36.7
114.02795	0.8
119.03497	19.6
119.04346	1.1
119.99746	0.6
123.00860	1.5
124.01665	1.7
125.02463	1.9
131.03511	3.2
136.01720	0.8
143.03488	5.4
147.04572	1.2
149.04532	2.3
151.04034	1.4
161.02512	1.2
161.04547	10.7
161.05869	0.8
174.68767	0.5
175.04079	0.7
179.05605	8.9
188.04771	1.1
189.05537	0.6
191.05688	0.9
298.08536	2.1
313.07401	1.0
313.10818	8.4
313.16605	2.4
331.17712	1.4
355.17862	0.9
373.12845	14.9
373.17722	0.9
374.13370	1.2
383.15018	0.5
427.19897	0.7
429.21201	0.9
475.21793	47.6
476.22281	3.6
493.22870	45.7
494.23212	3.8
497.20300	0.8
535.17578	3.1
535.24573	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	535.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
58.00584	1.6
59.01376	100.0
60.01738	0.9
61.98827	12.7
62.32544	0.8
69.03459	5.2
71.01378	27.7
71.52825	1.0
72.99311	2.4
73.02942	30.6
75.00877	1.1
76.61646	0.7
79.83572	0.7
83.01392	10.8
85.02946	10.4
87.00881	2.1
89.02439	15.8
95.01399	2.7
97.02939	1.5
99.00906	2.3
99.04547	1.6
101.02435	38.0
108.02188	1.1
108.61605	0.9
109.02970	1.1
110.03413	0.7
113.02441	26.3
114.02763	0.9
119.03490	8.5
123.04488	0.8
125.02470	1.9
127.24104	0.7
131.03471	4.4
133.02948	6.6
134.03728	1.2
135.02986	2.6
135.04533	3.5
137.02412	1.0
143.03497	6.4
149.02554	1.3
149.04541	9.5
151.04037	1.8
153.05569	0.9
161.02481	11.3
161.04532	22.6
164.01155	1.3
171.10251	2.5
179.03423	5.0
179.05580	4.3
185.00905	3.3
191.05551	1.9
193.05014	1.6
203.03554	0.9
203.05579	2.0
207.13766	0.9
208.95486	0.9
221.06609	6.0
235.06200	1.0
331.17432	1.1
373.12857	2.5
403.68506	0.8
415.23190	2.4
429.22165	0.9
473.10779	1.0
475.25519	2.3
493.22769	1.7
535.13922	1.1
535.20026	1.8
535.27435	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
58.00584	1.6
59.01376	100.0
60.01738	0.9
61.98827	12.7
62.32544	0.8
69.03459	5.2
71.01378	27.7
71.52825	1.0
72.99311	2.4
73.02942	30.6
75.00877	1.1
76.61646	0.7
79.83572	0.7
83.01392	10.8
85.02946	10.4
87.00881	2.1
89.02439	15.8
95.01399	2.7
97.02939	1.5
99.00906	2.3
99.04547	1.6
101.02435	38.0
108.02188	1.1
108.61605	0.9
109.02970	1.1
110.03413	0.7
113.02441	26.3
114.02763	0.9
119.03490	8.5
123.04488	0.8
125.02470	1.9
127.24104	0.7
131.03471	4.4
133.02948	6.6
134.03728	1.2
135.02986	2.6
135.04533	3.5
137.02412	1.0
143.03497	6.4
149.02554	1.3
149.04541	9.5
151.04037	1.8
153.05569	0.9
161.02481	11.3
161.04532	22.6
164.01155	1.3
171.10251	2.5
179.03423	5.0
179.05580	4.3
185.00905	3.3
191.05551	1.9
193.05014	1.6
203.03554	0.9
203.05579	2.0
207.13766	0.9
208.95486	0.9
221.06609	6.0
235.06200	1.0
331.17432	1.1
373.12857	2.5
403.68506	0.8
415.23190	2.4
429.22165	0.9
473.10779	1.0
475.25519	2.3
493.22769	1.7
535.13922	1.1
535.20026	1.8
535.27435	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	0.9
59.01376	100.0
59.19240	0.6
60.01698	1.0
61.98830	13.5
69.03471	5.0
69.39653	1.7
69.40057	3.5
70.87974	0.6
71.01379	27.8
72.21220	0.6
72.99307	1.8
73.02946	27.6
75.00909	0.9
83.01395	8.7
85.02945	9.2
87.00882	1.8
89.02435	14.9
89.02950	1.1
95.01397	3.3
97.02968	1.7
99.00894	1.8
99.04539	1.3
101.02441	37.4
103.33712	0.7
111.00938	0.9
113.02446	24.1
119.03501	8.4
125.02478	1.8
131.03484	3.3
133.02950	6.8
135.03040	2.8
135.04553	2.4
135.25533	0.6
136.01639	0.9
143.03525	5.6
145.02963	0.8
149.04538	8.4
151.04080	1.7
152.54134	0.6
161.02467	12.6
161.04530	20.7
162.04956	0.9
164.01181	0.7
171.10318	2.2
175.04022	0.7
179.03503	5.3
179.05588	3.7
179.74072	0.6
179.93066	0.6
185.00868	4.3
191.05656	1.9
193.05069	1.2
195.03043	1.3
203.05655	2.4
209.36034	0.8
217.93358	0.6
221.06633	5.9
235.06200	1.0
321.91241	0.7
355.11697	0.8
360.66342	0.8
373.13055	1.8
415.23550	0.9
433.24445	1.3
473.11166	1.0
475.25967	2.2
503.12112	1.2
535.19867	2.9
535.27301	6.0
536.27661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	46.5
61.98827	100.0
64.28161	0.6
69.47688	3.9
69.48091	1.1
71.01379	9.8
73.02938	2.9
83.01404	1.5
83.29834	0.6
85.02949	4.5
87.00878	0.9
89.02453	4.1
95.01408	0.8
99.00882	1.1
101.02435	7.6
113.02419	5.2
119.03527	1.1
133.02942	3.8
135.04526	4.1
137.02417	1.5
137.09793	0.7
143.03520	0.9
149.02487	0.6
159.03003	0.7
161.02431	11.4
161.04443	3.0
163.04005	0.8
164.04602	0.7
165.01973	2.2
177.05592	1.7
179.03473	4.5
189.12831	0.8
203.05603	0.7
221.04623	1.4
222.58302	0.6
225.15009	1.0
251.05719	0.9
254.57695	0.6
281.06729	2.6
282.90323	0.7
341.08710	3.1
369.19098	8.6
370.19467	0.9
387.20264	13.5
387.24902	0.9
388.20694	1.2
429.21249	13.8
429.26498	1.0
430.21991	0.9
477.23233	4.2
495.24680	2.7
505.13510	9.5
536.19244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
59.01376	38.2
60.01723	0.8
61.98825	100.0
63.71732	0.5
69.03458	0.7
71.01374	10.0
73.02940	11.0
83.01383	3.5
85.02954	1.4
89.02447	3.8
95.01378	1.0
101.02438	13.6
113.02431	7.6
117.97227	0.7
119.03509	3.0
124.01657	1.0
125.02406	3.4
131.03497	1.6
135.04553	0.8
143.03497	1.6
149.04539	4.4
149.99561	2.3
161.02443	2.0
161.04524	7.7
168.00632	3.3
180.78989	0.5
191.05620	1.4
203.05571	0.8
205.05132	0.8
207.13893	1.6
221.06718	2.8
263.33740	0.5
306.89606	0.5
331.06787	0.8
356.12393	0.7
369.19299	0.6
374.13113	0.5
429.21201	5.3
430.21835	0.6
462.55359	0.6
505.13654	0.8
537.12378	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	536.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
59.01375	39.9
60.01696	0.4
61.98825	100.0
64.94889	0.3
69.33109	3.0
71.01376	9.0
72.99300	0.5
73.02940	10.2
83.01371	2.7
85.02943	1.7
86.60052	0.3
87.00882	0.7
89.02438	3.3
95.01381	0.6
97.02964	0.4
98.20625	0.5
99.00900	0.3
101.02436	13.2
113.02437	5.8
117.97279	0.5
119.03482	2.7
123.00891	0.7
124.01665	1.3
125.02449	3.0
131.03456	1.7
133.02971	0.6
135.03035	0.4
135.04539	0.7
136.27226	0.4
143.03493	1.9
145.02879	0.4
148.01665	0.4
149.02599	0.4
149.04546	3.4
149.99565	1.8
155.03535	0.6
161.02466	1.1
161.04561	6.7
164.04646	0.3
168.00612	3.5
179.03444	0.6
190.02657	0.4
191.03546	0.4
191.05600	0.8
192.06021	0.3
192.17120	0.3
203.05606	1.4
207.13786	1.9
221.06670	2.2
267.06580	0.4
275.81833	0.4
291.39899	0.4
313.05710	0.5
331.06815	0.9
356.12332	0.7
367.52356	0.4
369.19086	0.4
374.13327	0.9
374.22632	0.4
376.20844	0.5
406.74704	0.4
429.21274	4.8
430.21594	0.5
492.24008	0.5
505.13708	0.8
505.31558	0.4
536.16156	0.3
536.27386	1.2
537.12152	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	536.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
57.82545	0.3
59.01377	52.3
60.01712	1.3
61.98827	100.0
71.01379	7.7
72.01723	0.4
72.99335	0.4
73.02942	1.8
75.00844	0.3
75.79047	0.3
78.69582	0.3
80.70931	0.3
83.91115	0.3
85.02956	2.2
86.03252	0.3
87.00862	0.3
87.44323	0.4
89.02440	8.1
90.02763	0.8
96.96008	4.2
101.01894	0.4
101.02442	4.3
102.02733	0.9
105.42378	0.3
113.02441	3.9
114.02782	0.6
119.03503	4.0
123.08123	1.5
125.02398	0.4
135.04550	0.4
137.09703	0.5
143.03407	0.5
149.04492	0.5
149.05772	0.3
161.02319	1.0
161.04469	1.7
163.11188	1.1
173.05940	0.6
179.03322	0.4
179.05605	1.9
187.29768	0.4
189.12825	1.7
191.05510	0.5
207.13849	2.4
314.10193	0.4
339.12003	1.2
341.09421	0.5
356.11880	0.8
373.12567	1.2
374.13156	2.9
387.19754	1.0
429.21356	4.0
430.21057	0.4
476.21252	1.5
494.22501	1.5
536.26898	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	537.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86091	0.5
56.67944	0.4
59.01374	7.4
61.98824	4.3
63.96230	0.6
65.98357	0.4
68.99769	0.8
69.03447	2.7
71.01369	3.4
71.53642	0.8
73.02914	1.3
75.00838	0.6
79.01873	0.9
80.17011	0.5
81.03416	1.3
83.01343	1.6
85.02905	1.9
87.00828	0.9
88.89919	0.5
89.02440	2.5
95.01324	2.2
97.02898	2.2
101.02423	2.7
107.01337	1.7
107.05090	0.5
108.02123	0.8
109.02925	0.8
113.02368	1.9
117.97286	2.8
119.03428	0.6
119.91920	0.5
121.02908	1.7
123.00861	7.6
124.01656	20.5
125.02435	41.1
125.06036	1.0
126.02686	0.7
133.02925	2.5
134.03708	1.2
135.02922	1.7
135.04501	15.6
136.01593	0.6
137.02426	2.8
147.04417	0.7
149.02412	5.8
149.04469	0.7
149.99573	37.0
150.03194	0.8
151.00391	2.8
151.04050	0.6
158.98462	0.5
161.02437	9.9
161.04440	0.7
164.04774	3.3
165.01830	0.8
167.03384	0.7
168.00624	60.4
169.01382	5.2
175.00243	1.4
179.03468	14.0
190.02675	7.9
191.03337	0.9
205.03371	0.6
205.05026	7.6
223.06088	2.7
298.03583	1.1
313.05615	3.8
313.10782	2.4
331.06424	13.0
331.11545	5.5
332.06830	0.9
367.10156	1.0
375.10104	0.6
383.44250	0.5
477.22928	1.7
477.29764	1.1
493.16959	1.0
495.24142	1.2
519.11072	0.8
537.12103	100.0
538.12366	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	537.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01678	0.6
55.01868	6.4
57.03444	1.2
59.01376	11.6
60.29056	0.7
61.98840	3.5
65.03960	27.8
68.99813	1.1
69.03448	5.7
70.26395	2.7
71.01376	14.0
72.99288	1.4
73.02921	2.9
75.00867	4.4
83.01373	1.9
85.02943	7.6
87.00851	1.8
89.02439	7.6
93.03461	4.4
95.01353	1.0
95.05001	2.3
95.81819	0.7
97.02921	1.2
98.20612	0.7
99.00877	2.4
101.02431	9.4
106.04216	1.2
107.05013	1.3
109.02980	1.3
113.02453	5.7
119.03479	2.5
119.04997	3.1
121.06585	18.8
125.06072	1.4
129.01883	2.3
135.04489	1.2
137.06029	1.1
139.04002	36.5
139.07578	0.8
140.04340	1.2
147.02956	6.2
147.04585	1.1
161.04504	1.4
163.07573	1.1
165.04015	6.5
165.05531	22.0
183.06618	19.9
184.06938	1.0
209.04506	6.8
218.42229	0.7
267.06592	2.0
282.09140	1.5
297.11246	4.5
315.10687	2.4
327.12228	2.7
345.11786	16.6
375.13916	2.5
389.10831	37.9
390.11081	2.2
401.92755	0.7
537.14526	100.0
538.14996	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	537.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24760	0.9
55.01878	10.3
59.01377	14.2
61.98809	3.5
63.47876	0.8
65.03958	26.6
68.99796	1.7
69.03445	6.4
70.83392	2.1
71.01379	14.4
73.02929	3.0
75.00877	5.4
83.01372	1.4
85.02941	8.8
87.00866	1.2
89.02451	7.9
92.44347	0.9
93.03456	5.0
95.05006	3.1
97.00172	0.9
99.00890	2.4
101.02434	8.3
106.04199	1.4
111.00854	1.2
113.02435	4.5
113.10155	0.9
119.03460	2.9
119.05013	3.7
121.06577	19.5
123.04501	1.1
129.01918	2.5
135.04512	1.1
136.01772	0.8
138.29150	0.9
139.04002	42.1
140.04324	1.0
147.02989	8.4
147.04083	1.2
147.04448	0.8
161.04561	0.9
165.04012	6.2
165.05527	22.7
183.06621	19.4
209.04504	5.7
227.05608	1.0
282.08966	1.1
297.11276	1.9
327.12332	2.7
345.11868	14.5
375.13889	2.7
389.10828	39.6
390.11273	1.5
406.55884	1.0
537.14532	100.0
538.14734	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	537.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03437	0.7
58.00585	0.4
59.01374	17.0
60.01693	0.6
61.98830	4.9
64.09522	0.3
65.36221	0.4
69.03447	0.6
71.01374	7.8
71.53033	0.4
71.53391	0.4
72.99319	0.5
73.02932	2.8
78.95888	0.8
83.01382	1.3
85.02953	2.9
87.00872	0.9
88.98808	0.5
89.02444	3.6
93.03439	0.5
95.01389	0.7
96.96951	0.8
99.00872	1.2
101.02425	6.8
102.02741	0.5
105.03461	0.6
107.05027	0.6
108.02184	1.5
109.02944	1.4
111.00864	0.8
113.02452	4.5
117.03468	0.9
119.03503	1.8
121.02975	0.9
123.04501	0.4
124.01598	0.4
125.02411	0.9
129.01947	0.6
132.02184	1.6
133.02950	31.0
134.03699	1.7
135.04515	28.9
136.04814	0.6
137.02431	4.6
138.03183	1.2
139.03987	1.0
143.03473	1.0
147.04523	0.6
149.02432	1.1
149.04538	0.7
149.06049	2.1
150.03333	0.5
151.04021	1.1
158.52574	0.4
161.02428	100.0
162.02794	3.1
165.01918	6.3
166.02733	2.5
171.13818	0.7
175.04016	2.7
177.05577	3.9
177.09132	0.4
178.02626	0.5
179.03485	24.5
180.04099	1.3
181.05063	1.9
185.05569	0.4
185.11687	0.4
189.05600	0.7
203.01587	0.8
203.03484	13.7
207.06642	0.5
221.04549	3.8
233.04515	2.0
251.05482	2.3
281.06619	4.4
315.18283	0.5
323.07693	2.6
333.19131	0.9
341.08719	16.2
342.08994	1.1
458.42911	0.4
475.12344	4.3
477.23300	13.9
478.23697	0.7
495.24432	4.3
505.13489	58.0
506.13809	4.9
537.15198	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	2.5
61.98814	1.6
69.17190	1.4
69.17604	5.1
71.01385	1.0
72.12432	0.6
81.02985	0.6
85.02940	0.8
89.02421	1.2
101.02437	0.8
109.02947	13.5
119.03457	0.8
121.02958	2.1
122.03748	1.4
123.00861	1.1
123.04545	0.7
136.01657	9.0
145.02942	1.5
146.03716	4.5
147.04474	1.8
149.02364	1.1
150.03249	4.2
151.03993	10.8
158.03654	0.9
159.04523	1.3
160.05281	1.5
161.02422	1.9
161.06050	2.6
165.05553	5.2
171.04494	1.2
172.05272	2.4
173.06044	0.8
175.03969	6.3
176.04759	6.8
179.07014	1.1
189.05548	5.8
190.06343	6.6
191.07114	9.0
195.06606	4.6
205.08907	0.8
223.07472	0.8
239.07047	1.5
250.06281	0.7
251.07092	3.3
261.05606	1.6
262.06213	0.9
263.07047	0.8
266.05826	1.7
267.06580	12.8
268.06906	1.2
269.08118	0.6
278.05844	1.3
279.06592	10.9
281.08197	1.0
282.08920	7.9
293.08359	2.0
294.08914	7.7
297.07669	3.7
297.11288	16.9
298.11816	1.2
309.11301	2.4
312.09979	17.8
315.12372	2.9
327.12329	100.0
328.12640	5.5
345.13364	13.9
357.13400	17.2
358.13907	1.5
375.14426	14.1
376.15002	1.3
530.07520	0.7
537.19653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1976
Annotation	Tanegoside
Peak:m/z	Relative Intensity
52.83732	0.7
59.01360	2.3
61.98817	2.6
69.78187	3.6
70.78461	0.7
71.01350	1.8
73.02929	0.9
73.66990	0.7
79.70309	0.8
89.02426	1.7
90.49639	0.7
90.72559	0.8
92.07274	0.7
97.01050	0.8
108.02142	1.1
109.02942	25.8
113.02485	0.9
121.02936	2.2
122.03713	1.4
123.00813	0.8
123.04489	0.9
125.06041	2.4
131.05081	0.7
136.01651	13.1
137.02377	1.1
145.02930	3.0
146.03760	3.7
147.04436	1.9
149.05801	0.8
149.30434	0.7
150.03209	2.0
151.03992	14.6
158.03748	1.1
158.62151	0.8
159.04495	1.8
160.05278	1.2
161.02405	1.2
161.04544	1.3
161.06049	3.7
165.05539	1.5
171.04520	1.3
172.05272	3.0
175.03952	7.0
175.07651	1.3
176.04749	6.1
188.04718	0.8
189.05556	5.7
190.06316	6.2
191.07060	7.7
197.08057	0.7
223.07649	1.5
233.06076	1.0
239.07092	2.4
249.05540	1.0
250.06326	1.2
251.07124	3.3
261.05658	1.5
262.06287	0.9
266.05820	2.0
267.06570	49.9
268.06958	3.0
278.05759	1.7
279.06607	10.3
281.08163	1.3
282.08920	43.3
283.09436	3.0
293.08081	2.5
294.08905	7.8
295.09406	0.8
296.10355	1.0
297.11267	100.0
298.11609	6.8
309.11203	1.7
311.09232	0.9
312.10010	16.1
313.10736	1.0
315.12335	3.0
327.12326	78.3
328.12650	4.5
330.11029	1.0
345.13367	53.2
346.13681	3.6
357.13361	12.7
375.14423	72.1
376.14716	5.8
391.93304	0.8
537.19000	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	537.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90984	0.4
54.21672	0.5
59.01349	2.0
61.98839	3.5
69.48304	3.6
71.01357	1.9
73.45417	0.5
86.48592	0.5
88.48762	0.6
89.02422	1.6
101.02428	0.6
108.02170	1.2
109.02944	23.4
120.63243	0.5
121.02958	2.5
122.03705	0.6
123.00850	1.1
123.04536	0.6
136.01657	13.1
137.02388	0.8
142.30667	0.5
145.02921	1.8
146.03709	3.0
147.04536	1.3
149.02374	0.7
149.04565	0.7
150.03192	0.8
151.03993	12.6
152.04240	0.7
158.03685	0.7
159.04489	2.0
160.05276	1.0
161.02348	0.7
161.06039	2.3
165.05511	0.9
171.04495	1.2
172.05266	2.0
175.04010	5.2
175.07655	0.7
176.04785	4.6
177.05530	0.6
187.07651	0.7
188.04901	0.7
189.05568	4.2
190.06297	3.8
191.07130	5.8
223.07663	0.9
239.07127	3.7
249.05365	0.9
250.06285	1.5
251.07085	2.2
261.05527	1.3
262.06339	0.9
263.07025	0.9
266.05707	1.8
266.09183	0.7
267.06589	46.0
268.07013	2.8
279.06595	9.3
280.07001	0.7
282.08939	41.6
283.09354	2.6
293.08319	2.5
294.08887	5.8
297.11279	100.0
298.11624	5.4
309.11340	0.8
311.09177	0.7
312.09982	11.5
313.10361	1.4
315.12329	2.3
327.12341	60.9
328.12848	2.8
330.11121	0.6
336.41122	0.6
345.13394	45.2
346.13687	2.8
357.13416	11.8
375.14447	53.6
376.14865	3.1
407.83286	0.6
537.25891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
58.00587	1.5
59.01376	100.0
60.01707	4.0
61.98827	88.1
62.98536	1.1
69.70033	6.0
71.01376	41.7
72.15979	1.1
72.99276	1.5
73.02949	4.2
83.01404	1.3
85.02961	7.8
87.00866	3.2
89.02440	56.7
93.03452	1.0
94.77203	1.1
95.01389	2.5
96.69424	1.0
96.96021	5.2
101.02438	22.0
108.02175	2.3
109.02951	6.4
113.02448	16.4
115.92104	1.1
116.92833	2.6
119.03497	22.5
121.02955	2.9
122.03722	4.1
123.04530	1.3
124.01619	1.2
129.01933	1.3
131.03485	2.7
133.02965	3.1
134.03764	8.0
135.04509	3.3
136.01636	6.7
137.02455	3.4
143.03502	6.2
147.03011	2.5
149.02423	9.3
149.04546	2.7
149.06067	2.9
150.03214	36.2
151.04001	10.9
153.43173	1.3
159.04485	1.6
161.02434	7.7
161.04559	5.8
161.05803	1.1
162.03293	1.4
163.03966	2.4
164.04765	2.0
165.05551	42.0
166.05887	1.3
171.04401	2.0
172.05348	2.1
173.06096	2.6
175.03941	1.5
176.04765	1.9
177.05557	1.9
178.02704	5.5
179.03491	1.8
179.05595	15.3
179.07028	1.8
180.04204	2.9
181.05031	1.3
187.03981	4.0
188.04659	2.3
190.13239	1.5
193.05025	20.9
193.06747	1.5
195.06606	28.9
202.06348	5.5
203.07164	2.5
207.13995	1.1
263.07065	2.5
269.12848	1.1
275.07391	1.5
279.06485	2.5
280.07620	1.1
282.09058	2.0
291.06665	2.1
293.08499	1.1
295.09641	1.1
308.10358	1.5
309.07690	3.9
309.11221	2.1
312.09824	1.2
323.09177	5.8
324.09952	12.1
327.12381	8.2
339.12338	84.4
340.12723	6.8
375.14291	1.2
430.21503	3.7
474.45541	1.2
519.14471	2.8
537.15710	4.3
537.18536	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	537.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96392	2.8
54.51316	2.9
57.03444	7.8
58.66010	3.0
59.01378	93.5
60.01701	3.3
61.98539	5.2
61.98829	68.7
65.03957	22.9
66.08670	3.1
69.03454	5.9
69.14948	3.0
71.01379	47.9
71.53703	5.0
73.02939	14.9
83.01371	17.6
85.02936	15.3
87.00850	11.5
88.98805	6.5
89.02438	67.7
93.03445	7.7
99.00871	13.8
99.04477	3.4
101.01814	4.2
101.02441	50.5
101.61739	3.7
104.94190	3.8
107.01337	4.1
108.02146	6.0
110.68382	3.7
113.02442	19.4
113.60390	3.4
117.03518	5.8
119.03466	12.9
119.04954	5.4
121.02933	5.6
121.06576	14.8
123.04483	5.6
125.02416	17.0
128.26598	3.3
131.03468	10.1
133.02939	15.3
135.04494	18.0
137.02383	5.6
137.06059	6.4
139.04004	44.6
143.03502	4.4
145.02937	13.5
147.04456	3.8
149.04546	64.9
151.00345	32.7
161.02425	40.7
161.04538	12.1
163.03964	4.1
165.01952	3.3
165.05620	19.9
175.00398	4.9
175.03964	4.2
177.01949	3.7
177.05566	4.8
179.03505	15.8
179.05519	2.9
181.05119	5.4
183.06573	12.8
190.02722	5.2
191.05576	12.7
203.03448	4.6
205.04961	5.2
207.06572	8.2
209.04549	19.7
221.06561	8.4
223.06042	4.7
247.15033	3.3
251.07637	14.0
293.08759	3.4
311.09802	12.8
341.08514	6.4
357.13412	20.2
408.66992	3.9
475.12381	5.0
477.23279	8.4
493.16748	10.9
495.24448	9.6
505.13358	16.1
537.13007	32.5
537.20911	100.0
538.21729	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	537.2339
Annotation	Ixerin N
Peak:m/z	Relative Intensity
52.36186	0.4
55.01878	3.9
57.03431	2.4
58.00579	1.2
59.01376	32.7
61.98828	2.5
67.01859	0.4
71.01377	30.2
71.52425	0.4
72.99277	2.1
73.02942	8.4
83.01379	5.7
85.02948	15.8
87.00871	3.3
88.56071	0.4
89.02443	15.1
93.03442	2.7
95.01377	2.4
97.02937	0.7
99.00877	3.7
101.02435	27.1
109.02929	5.1
111.00894	0.8
113.01633	0.5
113.02439	10.7
113.04142	0.5
119.03500	6.3
119.04935	0.6
121.02948	33.3
122.03795	3.4
123.04496	1.7
129.01929	0.8
129.03442	0.9
131.03470	0.8
135.04488	0.9
137.02412	0.9
143.03487	1.4
147.04518	7.0
148.07027	0.4
149.04613	0.5
149.06003	0.6
150.03189	0.6
154.02715	0.8
159.03014	1.0
160.71553	0.4
161.02390	0.7
161.04529	3.3
161.06055	2.9
164.04774	1.6
165.05547	25.5
178.06319	0.6
178.40685	0.4
179.05652	0.8
179.07089	7.3
191.05386	0.4
237.11313	0.8
271.99512	0.5
297.11191	1.0
299.12881	0.6
312.13464	2.1
327.15839	1.2
329.13785	2.1
330.14636	0.6
342.14716	2.2
343.15155	0.6
357.17047	2.5
360.15729	19.7
361.16492	3.2
375.18066	98.1
376.18430	6.2
477.30804	1.4
522.21326	0.8
537.23358	100.0
538.16370	0.5
538.23834	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	537.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81295	0.4
57.03455	3.0
58.00594	1.7
59.01377	99.9
60.01722	0.9
61.98830	8.8
66.28096	0.3
67.21903	0.3
68.99780	0.4
69.03465	1.0
69.28392	2.9
70.46675	0.4
71.01379	42.1
71.06561	0.3
72.01728	0.6
72.99306	1.9
73.02942	11.6
74.06013	0.3
75.00868	1.0
81.92059	0.4
83.01384	7.1
84.02190	0.5
85.02949	21.1
86.00110	0.5
86.03300	0.6
87.00877	2.8
89.02444	19.1
95.01389	5.1
97.02942	2.3
99.00877	4.3
101.02439	28.2
101.06040	0.3
102.02785	0.5
106.90427	0.3
108.02183	0.8
111.00867	3.2
112.01669	1.2
113.02447	26.3
114.02797	0.4
115.04016	0.9
119.03506	7.8
124.01665	1.5
125.02449	3.6
129.01967	0.9
131.03522	1.0
133.02948	0.6
134.03751	0.4
135.04533	1.4
141.01994	0.5
143.03471	3.9
151.04041	0.5
159.02988	2.4
161.02486	2.8
161.04526	6.3
171.13980	0.5
173.08492	0.4
179.03616	0.8
179.05597	2.0
203.03503	0.5
234.20500	0.3
241.93596	0.4
304.57935	0.4
315.18088	3.8
333.19220	5.9
334.19446	0.5
357.19125	0.6
368.96472	0.4
370.19342	0.4
375.20108	0.5
403.19968	0.5
413.21719	0.4
429.21362	1.0
430.21732	1.1
441.21310	0.5
447.22382	0.6
477.23386	100.0
478.23703	8.7
495.24442	66.5
496.24817	5.5
505.13626	0.6
537.26123	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	537.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17751	0.3
53.87161	0.3
55.01860	1.2
57.03435	1.5
58.00576	0.8
59.01374	26.0
61.98824	2.6
69.03460	0.8
69.68568	0.6
69.68975	1.6
71.01377	19.2
72.99293	1.0
73.02943	1.8
79.77676	0.3
80.75866	0.3
83.01382	1.9
85.02943	10.9
87.00855	1.3
89.02438	14.0
95.01391	3.3
97.02947	0.4
99.00863	0.7
101.02439	9.8
102.34128	0.3
113.02444	19.1
119.03486	4.4
125.02457	0.7
135.04596	0.6
160.79633	0.3
161.04527	0.8
165.05545	1.4
179.05766	0.4
183.13795	0.6
189.58292	0.3
195.10605	0.4
195.13873	6.7
196.14183	0.6
213.14944	4.4
243.06638	0.6
315.19470	0.5
357.13312	0.4
357.19189	1.1
375.20175	12.0
519.24377	0.5
537.25488	100.0
538.25739	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	537.2549
Annotation	Alangionoside O
Peak:m/z	Relative Intensity
55.01849	1.0
57.03440	1.1
58.00588	0.9
59.01375	28.2
61.98824	5.4
62.85944	0.5
64.18744	0.6
69.03435	0.5
70.31666	0.5
71.01375	24.4
72.99285	1.2
73.02950	5.0
78.91889	2.7
83.01369	2.4
85.02943	6.9
87.00874	3.2
89.02438	17.0
95.01382	1.3
97.02953	0.9
98.20676	1.1
98.91840	0.5
99.00854	1.9
101.02437	17.9
113.02444	8.7
115.19433	0.6
115.45850	0.5
117.03462	1.0
119.03477	5.9
121.02931	0.9
125.02411	0.9
131.03468	3.4
135.04478	0.7
135.38623	0.5
139.04027	0.6
143.03477	1.2
145.02950	2.6
159.02972	1.0
161.02408	0.7
161.04524	4.7
163.04025	0.9
165.05670	0.6
166.47331	0.6
179.05603	0.8
183.13815	0.8
191.03519	0.9
195.13872	4.4
206.54666	0.5
213.15033	3.6
221.06586	4.9
222.35410	0.5
291.43417	0.5
357.19107	0.8
375.20438	5.6
376.20590	0.6
377.97540	0.6
436.38974	0.6
477.30579	2.2
501.23279	1.1
519.24646	0.8
537.25488	100.0
538.25739	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	538.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71009	0.6
51.75578	0.6
59.01382	6.6
60.05872	0.5
61.98826	55.0
62.48154	0.5
68.36198	0.7
69.23312	5.0
70.85674	0.6
71.01379	3.4
75.11432	0.5
83.01352	0.7
83.33263	0.5
85.02944	1.4
87.00867	0.9
89.02441	5.3
92.99848	0.7
101.02424	3.2
109.02956	1.7
110.63376	0.6
113.02423	1.9
113.73335	0.6
119.03518	1.6
119.83265	0.6
121.03014	0.6
133.02951	19.3
135.04514	10.6
136.01680	1.2
139.04082	0.6
142.03288	1.2
149.04552	0.6
151.04027	1.2
151.06129	2.0
159.17552	0.6
161.02429	98.5
162.02773	3.2
171.73061	0.6
176.04620	0.6
177.05493	1.5
179.03488	12.6
179.05350	0.8
179.05620	0.7
186.04211	0.6
192.07489	0.8
209.77386	0.6
221.04611	1.4
244.37143	0.6
251.05470	1.0
267.06760	1.5
268.06915	1.1
269.39725	0.6
281.06586	2.2
282.09000	1.0
283.09381	1.1
297.11221	1.9
298.11612	2.7
312.09991	1.1
313.10425	1.3
327.12228	4.0
328.12717	8.2
346.13522	1.7
357.13297	0.8
358.13715	1.0
375.14328	1.1
376.14792	2.0
475.14517	100.0
476.14828	7.2
538.12708	0.7
539.19043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58118	1.1
53.23082	1.5
56.93825	1.2
57.24602	1.1
59.01377	38.1
71.01375	27.3
72.99326	1.8
73.02940	4.2
85.02953	4.2
87.00864	7.9
89.02439	46.3
97.02898	1.6
99.00872	1.6
99.75304	1.3
101.02441	27.0
113.02445	15.6
119.03515	9.7
125.02394	2.7
131.03477	2.8
141.25624	1.1
142.29584	1.4
143.03471	5.5
149.04472	1.4
152.39063	1.5
156.22238	1.2
159.01088	1.2
159.02951	1.4
161.04543	11.3
179.05594	50.5
221.06648	22.5
229.40703	1.5
280.88818	1.3
281.08621	2.6
313.10687	1.4
323.09790	7.7
341.10873	12.5
377.08563	9.6
383.11917	26.0
383.16806	1.5
443.13879	3.8
503.16159	100.0
504.16431	4.5
539.13812	74.3
540.14081	3.9
567.28772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63261	2.5
57.03424	4.0
59.01375	47.7
61.98830	7.1
62.61070	2.6
65.03957	58.9
65.04276	4.7
66.44526	2.7
68.18356	2.4
68.99803	4.7
69.03463	15.0
71.01384	27.4
71.51012	3.2
72.14829	2.5
73.02942	13.5
81.03402	3.2
83.01389	9.4
84.16935	2.4
85.02524	2.1
85.02949	15.3
87.00875	7.0
88.98782	3.6
89.02430	13.0
93.03444	14.8
95.05019	15.5
96.95990	4.6
97.02991	2.7
99.00879	7.1
101.02443	20.8
106.04243	2.9
106.98827	2.2
107.04960	2.9
108.02139	3.0
109.02949	12.6
113.02450	10.5
119.03472	6.6
119.05025	7.8
121.02973	9.2
121.06581	43.4
123.00864	3.8
123.04519	30.9
133.02972	2.9
135.04507	4.5
136.01663	5.3
137.02344	2.8
138.03241	4.1
139.00365	4.9
139.04002	100.0
139.07660	3.8
145.02960	4.2
146.03720	5.3
147.04440	3.1
149.02425	61.0
150.03232	3.3
151.04030	12.3
152.04338	4.5
154.60056	2.6
160.05341	2.9
161.02425	6.3
161.04518	5.9
165.05545	54.5
166.05939	6.4
168.60248	2.3
172.05276	4.2
175.04079	5.4
176.04637	4.2
181.04942	3.2
183.06601	61.3
189.05560	4.0
190.06230	2.9
191.07137	6.8
192.07494	2.9
193.05147	2.6
195.06642	5.2
196.07016	3.8
209.04504	30.1
227.05592	7.0
243.06555	2.6
244.31183	3.2
250.35721	3.6
258.44418	2.8
264.07486	2.6
267.06421	8.0
268.06842	6.8
269.07242	5.8
279.06598	6.1
280.06845	7.0
281.07236	3.4
283.09085	4.5
284.09573	4.4
296.09402	3.0
297.11298	6.8
298.11612	6.5
299.11945	9.1
312.10086	10.1
313.10248	6.0
314.10690	7.6
327.12436	37.4
327.29538	3.0
328.12665	45.8
329.12936	68.8
345.11774	34.7
346.13431	5.9
347.10852	5.7
347.14487	4.7
357.13385	5.1
358.13809	7.3
359.13974	12.8
371.09912	7.3
376.15018	4.8
377.12207	10.5
387.12860	27.6
389.10904	41.4
424.54150	2.6
428.82532	3.2
431.11862	53.9
432.12161	3.8
477.13989	3.9
521.12811	8.9
539.22858	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	539.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.9
60.79951	1.5
61.98824	11.4
65.03956	28.6
67.01881	2.3
68.99814	8.9
69.03452	8.1
71.01377	11.7
71.52103	1.5
71.52457	1.7
73.02938	4.7
74.26430	1.5
75.00853	8.5
83.01385	3.7
85.02939	5.0
85.78514	1.5
87.00841	2.4
89.02431	4.6
91.01883	3.2
91.42345	1.6
93.03432	6.2
95.01375	2.9
95.05001	4.4
99.00849	6.5
101.02425	6.1
101.26296	1.6
107.01408	2.7
108.02186	10.2
109.02937	10.2
111.00858	2.2
113.02399	5.0
119.05020	5.4
121.02939	2.6
121.06606	13.1
123.00881	3.0
123.04512	12.7
131.03497	2.3
133.02924	3.0
135.04523	4.2
137.06039	1.7
139.04007	100.0
140.04291	2.4
147.04485	3.2
149.02455	4.0
150.03101	2.5
151.00333	3.4
152.01103	8.4
153.01950	17.8
153.05551	2.8
159.02954	2.2
161.02444	3.8
161.04469	2.2
163.07639	1.5
164.04836	3.8
165.05559	23.6
166.02650	6.0
167.03494	32.4
168.03734	1.7
177.05460	2.8
181.04988	4.6
183.06604	17.3
190.02632	6.2
194.02135	1.8
195.02998	10.2
205.05090	9.6
209.04535	52.5
223.06012	4.8
239.05518	5.0
255.05147	7.6
265.07138	4.8
269.06668	11.6
297.05978	2.4
311.07605	3.4
327.10861	1.8
329.08768	9.1
333.09613	3.0
343.52121	1.7
345.11868	9.0
389.10748	7.7
403.12369	1.8
451.16095	3.2
495.14886	31.1
496.15277	3.5
521.16541	4.9
539.13959	63.1
539.22076	3.7
540.14349	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	539.2284
Annotation	Sesquipinsapol B
Peak:m/z	Relative Intensity
59.01376	10.2
61.00660	0.9
61.98825	9.4
70.31563	1.0
71.01361	4.2
71.53603	1.3
73.02937	1.5
79.47957	0.7
82.37579	0.9
83.01362	1.3
85.02940	3.1
88.98797	3.9
89.02431	2.2
89.23542	0.9
93.03456	1.4
95.99466	0.9
96.96014	1.9
97.71182	0.9
98.26222	0.8
101.02432	1.7
108.02183	1.2
109.02934	2.5
113.02444	1.3
121.02948	8.8
122.03719	3.4
123.04493	3.5
129.03445	1.0
135.04497	3.5
139.04059	1.5
145.02942	1.2
146.03690	1.2
147.04526	6.5
150.03157	1.8
159.04480	1.7
161.04573	1.0
161.06035	2.2
165.05566	13.9
169.27646	1.0
179.07135	4.4
209.06139	1.4
225.05600	2.1
227.07126	1.2
237.05563	2.0
238.06319	3.5
239.07066	3.0
240.04315	1.1
253.04880	1.8
254.05803	5.9
255.06569	5.0
256.07224	1.5
257.08139	1.2
265.08615	1.1
266.05817	4.9
267.06613	4.3
268.07321	4.0
269.08167	6.1
270.08945	2.0
280.07260	1.7
281.08017	4.8
282.08905	6.7
283.09738	1.6
284.72070	0.9
286.04651	2.1
288.71658	1.0
293.08231	1.4
294.08911	2.5
295.09665	10.8
297.11139	1.6
299.05493	1.1
307.09622	1.4
309.11319	4.5
310.08685	1.2
312.10141	1.2
313.10706	3.4
314.08063	5.9
324.09930	1.0
325.10678	2.9
327.12366	3.5
335.22232	21.6
336.22525	1.4
339.12393	2.6
403.17645	1.6
445.16238	1.3
449.15976	14.0
450.16580	1.7
463.17831	2.4
475.17468	1.9
478.19498	1.2
479.17294	5.1
491.16840	10.7
492.17395	1.5
494.19464	11.9
506.19559	7.9
509.21777	100.0
510.22028	10.3
519.47198	1.1
521.21765	95.9
522.22089	9.8
539.18945	1.1
539.32428	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	539.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.3
60.32670	0.2
72.07887	0.2
79.95731	3.0
86.33846	0.2
96.96004	100.0
97.95898	0.2
103.06376	0.2
116.79510	0.1
221.23805	0.2
229.48207	0.2
233.44164	0.2
256.07001	0.2
288.51581	0.2
297.97638	0.2
301.63147	0.2
316.44888	0.2
342.04599	0.2
426.37192	0.2
438.03607	0.2
535.37396	0.2
539.25281	42.7
540.25568	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	539.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.4
57.03443	2.8
58.00582	0.7
59.01376	67.1
60.01717	0.5
61.60946	0.2
61.98823	0.7
68.99817	0.5
69.03447	1.2
69.33387	1.4
71.01378	28.9
72.01707	0.2
72.99300	1.4
73.02942	12.3
74.03253	0.3
75.00877	0.9
77.65265	0.2
81.03443	0.6
83.01383	7.6
83.49801	0.2
84.02130	0.3
85.02946	18.0
86.00099	1.1
87.00871	3.2
89.02440	2.9
95.01385	3.5
95.01944	0.3
97.02944	2.4
99.00875	5.7
101.02435	26.5
102.02782	0.4
107.03787	0.2
111.00874	5.8
112.01670	1.5
113.02444	14.0
115.04002	0.6
115.66527	0.2
119.03496	0.6
122.06115	1.4
123.00867	0.3
124.01642	1.3
125.02436	5.5
129.01894	1.4
131.03488	0.3
133.02972	0.3
135.04523	0.7
138.05602	0.7
141.01945	1.1
143.03482	3.9
149.04514	0.2
152.07155	3.9
159.02969	3.2
160.04034	0.7
161.02396	0.6
161.04524	5.6
171.13818	0.5
173.15465	0.6
176.72383	0.2
179.03481	0.6
190.05074	0.4
192.06627	2.2
215.16553	0.3
317.19687	3.0
325.11871	0.8
335.20740	9.6
336.21060	0.4
355.12997	0.2
357.14523	2.3
377.22028	0.5
387.38913	0.2
405.21326	0.7
431.23157	1.0
443.22659	0.5
449.23846	0.7
464.18137	0.5
479.24930	100.0
480.25232	7.4
497.25995	61.0
498.26413	4.9
503.25104	0.2
508.17352	1.2
533.65350	0.2
539.27649	3.9
540.20013	0.4
540.27643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.0
61.98828	11.4
69.32292	5.0
71.01377	3.3
71.86957	0.9
83.81744	0.7
89.02460	3.1
98.19899	1.4
101.02431	2.7
106.24512	0.8
113.02492	1.4
117.03509	1.2
119.03538	1.2
132.02184	1.8
133.02951	25.4
135.04520	12.2
161.02432	100.0
162.02792	2.6
179.03497	3.5
231.80226	0.9
315.10846	3.3
399.86273	0.7
457.36407	0.9
473.04218	0.9
477.13992	79.1
478.14172	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	540.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60558	0.8
59.01376	5.5
61.98824	10.3
67.02457	0.7
67.77051	0.6
69.54795	4.1
71.01373	3.3
72.06054	0.6
82.24828	0.7
85.02933	1.3
89.02430	4.3
96.91147	0.8
96.95994	0.8
101.02429	2.8
102.02853	0.8
113.02455	2.0
114.67799	0.7
119.03495	1.5
133.02946	19.1
135.04515	11.5
161.02434	100.0
162.02730	3.4
179.03490	3.8
230.81482	0.8
239.72504	0.7
256.22107	0.8
315.10852	3.7
425.79849	0.7
461.93854	0.9
477.13977	81.1
478.14471	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	540.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89998	1.1
59.01381	5.2
61.98826	80.2
67.30163	0.8
69.11209	0.9
71.01368	2.7
78.52340	0.9
89.02446	2.2
98.19884	2.6
101.02407	2.1
108.02164	35.7
113.02380	1.4
117.03446	1.3
118.10472	0.8
121.32985	0.9
128.85526	0.9
132.02194	1.0
133.02956	23.3
134.03691	2.7
135.04512	18.3
149.06148	1.2
150.03192	1.1
161.02429	100.0
162.02782	2.6
172.51244	1.1
177.05499	3.6
179.03511	17.8
181.05008	1.6
221.04509	5.6
251.05522	3.0
281.06665	7.9
285.85956	1.0
341.08661	2.3
401.41742	1.0
477.13971	98.9
478.14267	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	540.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56221	0.6
53.09520	0.7
59.01382	6.9
61.98827	56.6
69.28982	5.8
71.01377	3.4
73.02924	0.9
74.99407	0.6
85.02944	1.3
88.98800	0.9
89.02424	2.6
101.02457	2.1
107.04981	1.2
108.02164	25.1
113.02431	1.6
119.03530	0.8
121.02891	1.0
125.08424	0.7
133.02956	25.2
134.03648	2.2
135.04521	17.5
137.02444	1.4
137.06140	0.7
149.06050	1.3
159.03021	0.7
161.02429	100.0
162.02788	2.5
177.05568	3.7
179.03493	15.9
181.05194	1.5
182.15646	0.7
182.45163	0.7
196.32715	0.7
215.62517	0.7
221.04532	5.8
223.05977	1.0
251.05551	4.3
277.26443	0.8
281.06595	5.9
290.70782	0.9
341.08646	1.8
460.69241	0.7
477.13974	98.0
478.14209	8.5
540.22742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.0
61.98827	19.6
64.42894	0.7
70.88141	0.5
71.01379	3.2
73.02943	0.6
75.00222	0.5
80.72439	0.5
83.21362	0.6
85.02959	0.8
87.00893	0.8
88.98792	2.9
89.02451	2.3
101.02424	1.6
102.41915	0.6
105.03438	0.6
106.30214	0.5
113.02444	1.7
119.03504	0.9
130.44469	0.6
132.02193	1.1
133.02954	22.5
134.03748	1.0
135.04510	15.8
137.02461	0.7
153.05542	0.9
159.03033	0.6
161.02432	100.0
162.02780	2.5
179.03488	11.9
185.11823	2.0
295.10318	0.6
304.77048	0.5
305.43311	0.6
315.10651	1.2
321.06320	0.9
477.13983	81.9
478.14301	7.7
481.23303	0.6
540.16577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
71.51086	0.5
71.51416	0.6
75.31969	0.5
81.15189	0.5
162.68259	0.5
170.49557	0.5
205.47462	0.6
240.02814	0.5
245.26344	0.5
285.32840	0.5
455.35193	9.0
540.32996	70.8
541.33441	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	540.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52401	0.6
61.98829	100.0
66.37857	0.6
71.79970	0.7
90.48656	0.8
157.49095	0.7
164.64828	0.8
191.84851	0.8
371.98547	0.7
455.35242	20.0
456.35760	1.4
540.33008	81.2
541.33423	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	541.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34742	2.1
58.00593	3.2
59.01374	76.1
60.03862	2.1
61.98830	9.5
65.03968	1.9
66.86644	2.0
71.01372	51.3
72.99319	3.9
73.02949	3.1
75.00867	2.8
78.12127	1.9
83.01382	2.2
85.02962	7.8
87.00873	5.6
87.94414	1.8
89.02441	72.3
95.01396	2.8
96.95992	3.2
98.20681	4.5
101.02442	27.4
108.02191	3.6
111.00879	4.9
111.64836	2.2
113.02436	19.5
119.03487	24.3
119.04933	2.1
123.04550	3.1
125.92781	2.1
134.03754	11.7
135.04517	2.4
136.01653	27.0
143.03494	6.8
149.04485	4.4
149.06081	7.7
151.03998	42.4
151.05124	3.3
161.02470	3.9
161.04527	7.9
177.05637	2.3
179.03484	2.1
179.04031	2.9
179.05583	29.3
181.05106	2.7
197.06036	4.3
209.06104	10.6
225.05521	7.9
237.05533	33.5
238.06369	9.7
251.07243	2.7
252.07877	28.9
253.05058	24.2
253.08592	6.8
254.05409	2.1
267.06839	3.1
268.07391	28.2
283.09717	100.0
284.10086	6.9
288.24207	2.1
321.56860	1.8
472.98141	1.9
541.20984	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	541.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
55.17042	1.6
59.01377	63.9
61.98825	40.9
69.32420	3.1
69.32822	10.7
71.01373	36.4
71.91755	1.5
73.02943	30.9
83.01388	8.5
85.02936	4.9
87.00872	4.3
89.02441	12.6
101.02430	31.6
113.02401	9.3
119.03476	4.8
143.03444	1.9
154.76834	1.4
161.04510	1.8
174.63956	1.7
271.96500	1.8
275.20193	12.4
277.21936	1.6
293.21210	22.4
379.79510	1.7
437.25220	4.4
455.26364	15.3
497.27521	100.0
498.27820	8.1
532.87299	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.9
61.98821	0.4
69.67696	1.0
71.01374	1.2
73.02941	0.2
79.95735	3.0
83.01369	0.2
87.00854	0.2
89.02434	0.5
96.96006	100.0
97.95950	0.3
98.20620	0.4
101.02437	0.6
109.39872	0.2
113.02454	0.5
143.64044	0.2
147.49289	0.2
218.04370	0.2
361.20432	0.5
450.89957	0.2
541.26825	54.9
542.27112	3.7
560.08057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
61.98835	0.4
69.16942	1.9
71.01354	0.3
79.95728	2.7
82.65810	0.2
96.96004	100.0
115.82379	0.2
135.69067	0.2
203.48761	0.2
246.83904	0.2
313.81284	0.2
541.26825	52.3
542.27112	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	543.1352
Annotation	Scytonemin
Peak:m/z	Relative Intensity
52.90157	0.5
53.03806	0.4
55.01886	0.5
57.03442	0.9
59.01372	3.1
61.98820	7.7
68.99829	3.7
69.03456	1.1
70.82329	0.5
71.01380	4.5
72.99319	0.7
73.02957	1.3
75.00890	1.6
83.00967	0.6
83.01371	2.3
85.02945	5.8
87.00867	3.1
89.02466	1.5
95.01425	1.4
96.99330	0.7
97.02952	1.1
99.00864	5.6
101.02440	2.6
108.02137	0.6
111.00892	3.2
112.98837	0.8
113.02442	7.1
113.99580	18.8
115.00387	9.5
117.03435	0.5
121.02964	2.0
123.00913	0.5
124.98808	0.6
127.00379	3.8
129.01942	3.6
135.04512	0.9
139.00430	1.3
139.04059	0.8
141.01927	0.8
147.04547	1.2
149.02420	12.1
153.01888	0.7
157.01410	5.7
161.02470	1.3
163.04004	0.6
164.04778	10.3
169.01436	2.0
174.01691	17.6
175.02518	3.0
176.06567	0.5
179.03508	0.5
179.07152	1.2
183.06424	0.6
186.01564	0.5
190.02777	0.9
191.05791	0.7
205.05101	1.2
206.05861	0.5
208.03745	0.9
223.06104	8.0
249.92297	0.4
265.07248	0.6
277.05621	35.0
278.05960	1.3
278.30286	0.5
337.07742	77.9
338.08151	3.7
345.15457	1.3
367.10626	0.6
483.11401	3.7
484.11676	0.9
485.16095	0.5
505.11133	0.5
543.13483	100.0
544.13831	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	543.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17055	0.5
59.01381	2.9
61.98825	6.9
63.94219	0.5
68.99810	3.7
69.03455	1.0
71.01375	3.6
72.99303	0.7
73.02935	1.2
75.00860	0.7
80.96552	0.7
83.01388	1.7
85.02950	7.0
87.00882	3.4
89.02428	1.1
95.01375	1.4
96.99274	0.7
97.02956	0.9
99.00871	5.3
101.02438	1.9
109.02939	0.8
111.00861	2.5
113.02441	6.6
113.99583	16.5
115.00369	7.8
119.04994	0.6
121.02938	2.2
125.02415	0.7
127.00372	3.6
129.01944	2.8
141.01897	0.8
147.04439	0.9
149.02431	14.4
157.01433	5.3
161.02426	1.0
164.04752	11.0
169.01419	1.8
174.01678	16.3
175.02370	2.1
190.02695	1.0
205.05052	1.3
208.03784	0.7
221.08180	0.7
223.06104	9.2
277.05618	31.1
277.27118	0.5
277.57010	0.6
278.05936	1.6
295.08163	0.6
337.07739	71.0
338.07996	2.5
345.15414	0.6
367.10297	0.8
385.85660	0.7
473.18884	0.6
483.11557	3.4
543.13452	100.0
544.13824	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	543.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.6
59.01374	49.8
61.98830	9.3
68.15023	1.5
68.44109	1.3
69.95010	1.6
71.01384	23.1
72.99319	2.0
73.02944	17.4
83.01398	5.8
84.19569	1.3
85.02949	6.1
87.00867	1.9
89.02433	8.8
101.02428	15.4
113.02441	6.4
116.92854	3.1
118.84524	1.5
147.70258	1.6
149.38925	1.4
160.52995	1.6
161.02396	2.6
223.17020	4.1
223.93649	1.8
245.94447	1.6
277.21698	10.0
295.22769	5.0
418.62909	1.7
439.27069	11.1
457.28058	22.5
464.03864	1.5
469.77026	1.5
474.05316	1.5
499.29080	100.0
500.29565	8.9
543.32666	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	543.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41875	0.4
55.01872	0.7
56.62156	0.3
57.03443	1.7
58.00590	0.9
59.01376	45.8
61.98833	1.8
67.12778	0.2
69.03450	0.6
70.87456	0.3
71.01379	18.5
72.99300	1.0
73.02942	6.2
75.00875	0.4
83.01385	2.7
85.02943	8.4
86.00075	0.4
87.00880	0.9
89.02440	5.5
91.68121	0.3
95.01387	1.6
97.02931	0.6
98.89643	0.3
99.00883	2.8
101.02438	11.5
111.00859	0.5
113.02445	7.3
114.02728	0.3
119.03486	1.9
125.02430	0.7
125.06040	0.3
127.07687	0.4
131.03468	0.5
143.03568	0.4
159.02994	0.6
159.32687	0.3
161.02396	0.3
161.04530	1.8
190.70074	0.3
191.05675	0.3
209.11829	2.5
209.19092	2.1
250.91414	0.3
277.25320	1.6
323.25885	2.9
339.25339	0.5
457.31680	0.7
483.29672	1.4
501.30722	2.7
543.31702	100.0
544.32019	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	544.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50345	0.5
59.01374	2.6
61.98826	70.1
63.28679	0.5
65.03973	1.0
69.14739	5.4
71.01391	3.4
72.20750	0.5
77.20544	0.5
80.77474	0.5
83.01344	0.4
85.02920	1.0
87.68206	0.4
88.70863	0.5
89.02439	1.6
101.02435	2.6
107.75854	0.5
108.02221	0.6
113.02448	1.2
119.03523	0.6
127.87191	0.4
132.02145	0.9
133.02951	20.7
135.04501	8.0
136.04883	0.8
139.04034	0.7
145.02934	0.7
161.02432	95.7
162.02782	2.6
163.03970	0.6
175.04025	0.9
179.03484	5.7
179.64264	0.5
183.06624	1.9
184.06999	0.9
191.05637	1.1
259.93994	0.6
276.99890	0.5
463.16174	1.5
475.12424	0.7
476.12534	0.7
481.17096	100.0
482.17380	6.1
491.15274	0.6
508.15515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57765	0.1
59.01368	0.9
61.98827	100.0
71.01364	0.3
73.02921	0.3
79.52799	0.2
83.01427	0.2
85.02975	0.2
88.98816	0.7
89.73560	0.1
93.00053	0.1
98.19913	0.6
101.02470	0.1
103.67485	0.1
113.02488	0.1
147.33505	0.2
185.09793	0.3
196.91084	0.1
203.10822	0.2
217.12326	0.2
229.39458	0.2
261.11475	0.2
365.89825	0.2
432.20862	0.2
485.18314	0.2
494.03644	0.2
503.19653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17381	0.2
59.01369	1.2
61.98826	100.0
71.01392	0.6
73.02959	0.6
79.42538	0.2
83.01357	0.2
85.02956	0.2
89.02460	0.2
89.68694	0.2
101.02445	0.5
107.05065	0.2
112.14097	0.2
113.02438	0.2
115.59632	0.2
133.03043	0.4
135.04608	0.3
161.02444	1.6
161.04507	0.3
162.02803	0.2
179.03534	0.4
183.04317	0.2
191.05608	1.6
216.24739	0.2
227.07144	0.3
247.15376	0.9
347.26065	0.2
381.00662	0.2
393.29724	0.2
481.17078	1.1
487.95905	0.2
544.21582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15062	0.9
50.73196	1.2
55.01878	2.6
57.03443	2.2
59.01377	14.6
61.98833	9.5
65.03960	56.3
67.01879	1.3
68.99803	5.9
69.03452	9.8
70.79386	2.6
71.01376	23.3
72.99283	1.2
73.02933	5.5
75.12844	1.0
80.96520	1.3
81.03461	3.2
83.01376	11.6
83.05005	6.1
85.02943	11.1
87.00875	5.5
89.02438	9.5
90.11481	1.0
93.03450	26.7
95.05018	8.8
95.44525	1.1
96.96030	1.6
97.74779	1.0
99.00868	7.9
101.02427	11.6
101.06054	3.3
103.05520	1.7
106.04247	2.7
107.05016	2.1
109.02955	4.5
111.00867	9.8
111.04507	20.5
112.04905	1.0
113.02447	8.6
115.00381	1.0
119.03499	3.3
119.05013	6.4
121.03000	1.1
121.06598	34.4
123.04496	2.4
125.02421	1.5
127.00385	1.3
129.01965	3.3
129.05495	1.0
133.02930	1.5
135.04489	1.6
137.02431	5.4
137.06087	2.1
139.04005	100.0
140.04305	2.4
141.01933	1.2
145.01416	4.4
145.06552	1.2
147.04501	3.3
149.02394	1.9
154.99835	4.4
155.03488	7.7
161.02457	2.2
161.04553	2.2
163.07649	1.7
165.05556	47.0
166.05887	1.1
173.04527	4.8
179.03577	1.7
181.04996	1.1
183.06610	42.9
184.07007	1.2
191.05600	25.8
197.04515	1.5
207.06752	1.6
207.61998	1.2
209.04527	45.5
210.04808	1.7
227.05577	4.7
269.06656	2.2
327.10727	2.0
345.11859	57.2
346.12204	2.9
353.08640	2.0
368.23697	1.2
371.09802	3.2
389.10852	94.5
390.11246	5.9
431.11823	11.3
465.13907	2.1
474.76355	1.1
517.12000	5.0
527.13879	7.4
545.14838	20.6
546.14972	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	545.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42686	0.6
59.01375	0.8
61.98825	1.4
62.85536	0.7
67.05526	1.8
69.03423	0.7
71.17889	1.5
72.99297	6.0
81.36029	0.7
85.06586	2.7
87.04495	2.1
96.95996	0.9
99.04521	1.6
101.06071	54.3
111.04535	1.1
115.03997	18.9
129.05577	16.7
130.41267	0.7
145.05019	5.0
147.06674	0.7
163.09760	0.7
173.04587	0.7
176.32793	0.7
191.05594	100.0
192.05975	3.0
235.72534	0.7
286.21768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76104	0.2
53.63948	0.2
59.01376	9.6
60.01723	0.3
61.98821	4.2
68.69373	0.2
69.35522	1.5
69.42383	0.2
71.01376	2.3
72.67933	0.2
72.95489	0.2
72.99334	0.2
73.02943	0.7
76.38143	0.2
76.43080	0.2
77.82084	0.2
77.93608	0.2
78.95907	0.8
79.95742	0.5
83.01379	1.9
84.95103	0.3
85.02942	1.1
87.00858	0.5
88.98788	1.1
89.02437	0.7
93.03453	0.4
94.98074	0.2
96.96006	16.1
96.96895	1.0
99.92545	0.3
100.92539	0.2
101.02416	1.4
107.05023	0.6
113.01683	0.2
113.02412	1.0
116.63001	0.2
116.92850	0.3
118.92628	0.3
121.02985	0.3
122.03755	0.3
123.04502	0.6
134.03749	2.2
135.04515	100.0
136.04829	2.4
137.02469	0.2
137.06026	0.3
143.03430	0.3
151.03990	1.6
161.02426	0.6
161.04526	0.6
177.05545	0.3
179.03482	9.4
180.03804	0.2
185.11798	1.6
191.05576	3.7
225.28987	0.2
261.18600	0.2
279.08682	0.3
342.10971	0.3
353.13821	1.4
357.13406	3.2
358.13855	0.2
458.45053	0.2
465.21213	8.2
466.21439	0.5
481.20944	0.4
485.18176	0.4
485.31085	1.5
503.32275	0.7
509.20218	16.6
510.20569	1.9
545.18121	3.2
545.32721	0.3
546.18158	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
59.01376	8.4
60.99307	0.9
61.75975	0.2
61.98829	6.5
65.03973	0.3
67.87220	0.2
69.87151	0.2
70.70062	0.7
71.01381	2.4
73.02966	0.8
73.77345	0.2
83.01392	0.6
85.02956	1.2
87.00870	0.5
88.98807	4.9
89.02451	0.8
93.03487	0.3
95.01412	0.2
96.96002	0.4
99.04535	0.2
101.02435	1.5
106.04315	0.3
107.05022	2.1
108.02174	0.5
109.02971	0.4
111.00867	0.6
113.02428	1.3
116.92860	0.5
119.05052	0.6
123.04528	1.0
125.02528	0.3
133.02963	0.8
134.03743	3.2
135.04518	100.0
136.04851	3.1
137.06108	0.6
151.04008	5.3
151.58250	0.3
153.05688	0.2
161.02429	1.4
161.04558	0.4
163.04047	0.4
171.13902	0.4
179.03485	34.8
180.03824	1.1
185.11800	3.9
191.05560	1.2
192.11806	0.2
199.13353	0.4
214.24387	0.2
227.12856	0.5
278.85489	0.2
315.19232	0.3
353.14093	0.5
357.13284	0.3
365.16055	0.5
407.17047	1.5
465.21326	0.4
481.20807	2.2
484.29959	0.4
485.18634	0.5
485.31003	0.7
503.31726	0.3
507.18796	0.6
509.20227	24.1
510.20618	2.4
545.18445	2.5
546.19208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30812	0.4
59.01378	12.6
60.99305	16.8
61.95704	0.4
61.98825	8.4
70.60281	1.4
71.01383	2.7
73.02940	1.0
83.01365	0.6
85.02950	1.5
85.06583	1.5
87.00877	0.9
88.98801	100.0
89.02448	1.4
89.99133	0.5
93.03436	0.5
97.69682	0.4
101.02445	1.8
101.06089	3.5
113.02443	1.5
129.05557	1.4
135.04515	4.3
161.04514	0.9
163.04012	0.7
179.03456	2.0
181.08688	1.3
191.05594	6.0
341.10388	0.6
353.10052	0.9
353.13989	1.4
411.20123	0.6
431.95084	0.5
485.31186	1.0
509.20361	0.8
544.35602	0.4
545.20227	0.9
546.18298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
57.03448	3.4
57.71025	0.6
59.01376	43.1
60.99003	1.2
60.99303	13.5
61.86513	0.6
61.98827	9.3
69.03451	7.5
71.01376	8.7
71.05012	1.2
73.02940	2.9
83.01402	1.3
85.02943	3.5
88.98801	95.4
89.02437	6.4
89.99142	0.8
99.00875	1.2
101.02434	9.2
111.04531	0.8
113.02442	5.6
119.03528	3.1
131.03445	0.8
135.50134	0.7
139.11285	20.4
143.03497	0.7
157.08687	4.5
159.03040	1.2
161.04521	9.3
179.05553	0.9
183.10246	100.0
184.10588	3.7
319.13950	36.5
320.14328	2.4
331.99829	0.6
485.23834	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.348
Annotation	Agosterol C7
Peak:m/z	Relative Intensity
53.22293	1.0
57.03434	1.2
59.01376	73.0
61.98825	4.9
73.02940	3.0
87.63937	0.9
91.32661	0.9
93.96461	0.9
121.49516	0.8
167.33722	0.9
274.21979	1.0
288.18124	0.9
439.32022	3.4
476.51474	1.1
485.32687	100.0
486.32700	9.2
545.14539	1.2
545.29559	1.6
571.71375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3482
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
59.01375	100.0
60.01714	0.6
61.98815	2.1
71.01366	0.5
71.51974	0.6
73.02975	0.6
88.98821	1.4
96.96027	1.2
102.05580	0.5
105.23639	0.4
121.06457	0.4
130.83905	0.4
161.02409	0.6
162.39905	0.4
163.12157	0.4
176.08676	0.5
191.05576	0.7
209.11948	0.5
234.09737	0.5
301.50812	0.5
309.20920	0.6
464.78912	0.5
485.32773	10.6
486.33124	0.8
545.34900	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	546.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71437	0.7
59.01374	5.3
61.98827	91.5
65.03970	0.8
66.22122	0.7
69.61081	1.4
69.61495	2.5
71.01369	2.1
73.02962	1.5
73.66354	0.7
77.69334	0.6
78.09074	0.7
85.02958	2.1
87.00848	1.8
89.02450	1.5
101.02386	1.4
113.02469	1.6
117.03419	1.0
133.02956	19.2
135.04547	7.8
136.04884	1.3
145.02965	0.9
153.30299	0.7
161.02432	93.6
162.02782	3.0
163.04099	0.6
165.05615	1.1
168.71056	0.7
175.02486	0.9
179.03488	5.4
191.05505	1.3
284.25800	0.7
389.10916	1.1
435.05920	0.7
483.18689	100.0
484.19086	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	546.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94115	0.1
59.01369	0.4
61.98825	100.0
69.21460	1.0
69.21846	0.3
88.98813	0.4
107.65634	0.1
108.72724	0.1
120.41898	0.1
124.55283	0.1
135.04474	0.2
346.05371	0.1
359.16125	0.1
363.84726	0.1
396.39185	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	546.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74087	0.4
59.01376	32.8
60.01730	0.8
61.98827	100.0
71.01381	8.3
71.52387	0.5
72.99301	0.5
73.02940	8.5
81.03416	0.6
81.38770	0.4
82.21433	0.5
83.01388	3.6
85.02956	2.0
87.00881	0.9
89.02450	2.0
90.02785	0.4
93.03452	0.8
96.95995	0.4
101.02437	12.1
101.03111	0.6
113.02449	4.5
119.03517	1.7
121.02960	0.7
121.10265	0.4
125.02495	0.6
131.03513	1.3
143.03506	1.5
149.04553	1.8
155.03578	0.5
161.04541	3.5
173.04497	0.6
191.05592	3.8
192.05902	0.8
203.05574	0.5
215.07074	0.8
217.15952	2.5
221.06651	0.6
225.05556	1.0
251.03439	0.5
269.04590	1.1
280.03854	0.5
296.03317	0.7
297.04047	3.5
311.05664	2.2
320.65271	0.4
439.23407	0.6
485.31268	1.2
486.31824	1.4
487.32474	0.9
504.32974	1.4
505.33963	0.5
515.13892	1.5
529.15112	0.5
531.13263	0.9
542.29474	0.5
546.21161	1.5
546.34094	0.7
547.16010	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	546.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74087	0.4
59.01376	32.8
60.01730	0.8
61.98827	100.0
71.01381	8.3
71.52387	0.5
72.99301	0.5
73.02940	8.5
81.03416	0.6
81.38770	0.4
82.21433	0.5
83.01388	3.6
85.02956	2.0
87.00881	0.9
89.02450	2.0
90.02785	0.4
93.03452	0.8
96.95995	0.4
101.02437	12.1
101.03111	0.6
113.02449	4.5
119.03517	1.7
121.02960	0.7
121.10265	0.4
125.02495	0.6
131.03513	1.3
143.03506	1.5
149.04553	1.8
155.03578	0.5
161.04541	3.5
173.04497	0.6
191.05592	3.8
192.05902	0.8
203.05574	0.5
215.07074	0.8
217.15952	2.5
221.06651	0.6
225.05556	1.0
251.03439	0.5
269.04590	1.1
280.03854	0.5
296.03317	0.7
297.04047	3.5
311.05664	2.2
320.65271	0.4
439.23407	0.6
485.31268	1.2
486.31824	1.4
487.32474	0.9
504.32974	1.4
505.33963	0.5
515.13892	1.5
529.15112	0.5
531.13263	0.9
542.29474	0.5
546.21161	1.5
546.34094	0.7
547.16010	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	547.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70505	0.5
58.82458	0.4
59.01110	0.6
59.01382	7.5
59.79988	0.4
60.99301	0.9
61.98829	2.0
62.78429	0.4
69.33978	1.1
69.34396	2.6
71.01385	3.3
72.73278	0.5
73.02953	2.3
81.66509	0.4
83.01383	0.9
85.02943	1.1
85.67149	0.5
88.14953	0.4
88.93353	0.4
88.93900	0.5
88.98808	6.8
89.02446	1.6
95.05024	0.5
96.96015	1.6
101.02426	1.9
105.01926	2.4
105.03465	0.8
107.05034	0.6
111.80430	0.4
112.53136	0.4
113.02446	1.8
115.02197	0.4
117.03464	2.0
119.03463	0.6
119.05042	2.5
123.04536	0.6
132.02180	1.8
133.02957	38.1
134.03690	0.8
135.04514	10.7
137.02463	0.7
137.06068	1.0
145.02934	4.3
161.02435	100.0
162.02780	3.0
163.04042	1.7
168.31467	0.5
179.03471	4.8
192.92419	0.4
235.73543	0.4
259.70709	0.5
454.15735	0.6
461.14597	3.6
484.52115	0.5
503.15567	64.3
504.15964	6.0
547.27679	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09977	0.8
57.03439	1.0
59.01380	23.0
61.98827	57.8
68.87677	0.8
71.01379	12.0
71.53870	1.0
72.99298	1.1
73.02940	7.4
80.09008	0.9
83.01376	2.7
85.02943	3.7
85.62621	0.8
86.95192	0.9
87.00866	1.0
89.02437	6.5
90.98590	8.5
92.70634	0.8
93.03442	1.0
99.00880	1.8
101.02436	7.9
108.02142	1.6
112.02574	0.8
113.02450	5.9
116.58448	0.9
117.03448	32.3
119.03603	1.9
119.05020	39.1
121.02914	1.8
123.04498	4.0
125.02417	1.5
133.02948	20.2
134.03783	1.0
135.04510	14.6
136.01663	3.7
137.02426	2.0
145.02942	97.9
146.03297	1.9
147.04517	1.4
149.02438	1.0
149.18198	0.8
151.03999	4.1
153.05574	3.2
161.02429	53.8
161.06018	1.5
162.02779	1.7
163.03998	42.9
164.04395	1.0
167.75894	0.8
175.03951	1.1
177.05516	2.3
179.03522	4.5
183.10260	3.6
184.10597	2.0
187.03941	1.7
189.09216	0.9
197.63264	0.8
205.04961	1.1
297.09628	4.3
325.20267	0.9
339.10730	7.0
343.11716	7.3
357.13025	1.6
385.12885	3.2
461.14240	3.5
487.23514	0.9
503.15540	100.0
504.15906	9.2
547.28082	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	547.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.4
57.03431	1.3
57.54457	0.7
59.01377	15.1
59.31450	0.7
61.98824	4.3
65.03959	24.2
68.99820	1.6
69.03458	5.0
70.75999	0.7
71.01379	14.4
71.53236	1.3
72.99313	1.0
73.02956	4.5
83.01379	1.8
85.02952	5.1
85.06601	0.8
87.00878	1.7
89.02442	7.5
90.77626	0.7
93.03453	4.6
95.01374	2.0
95.05028	2.6
96.96000	1.1
99.00878	2.2
101.02441	10.3
101.09770	0.7
103.05503	1.3
107.04953	1.0
111.00881	1.5
113.02460	7.0
113.06078	2.3
115.03982	2.6
115.86206	0.7
119.03493	2.4
119.05008	2.7
121.06602	15.9
125.02443	1.2
128.84106	0.7
132.61392	0.7
133.02965	1.7
135.04503	1.6
139.04004	37.8
139.07620	1.6
140.04253	0.9
147.04494	1.2
161.02446	4.2
161.04510	1.9
163.07666	1.2
165.05562	23.5
175.02419	1.6
179.05615	1.4
183.06604	22.3
190.78857	0.7
191.05595	1.1
202.33408	0.7
209.04567	7.3
225.07581	0.8
227.05551	1.9
345.11856	24.7
346.12338	0.9
389.10873	100.0
390.11237	5.7
431.11832	1.4
453.17560	0.9
547.16431	8.1
547.23468	1.1
548.16748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72532	0.3
55.01869	0.4
57.03428	0.5
59.01375	4.4
61.98834	0.6
63.28584	0.3
69.03437	0.3
71.01377	3.8
71.03240	0.7
73.02949	1.2
75.49790	0.3
83.01383	1.2
85.02943	2.3
87.00874	1.7
87.72675	0.3
89.02440	2.1
95.01390	0.5
97.03003	0.6
99.00904	0.8
101.02438	2.6
107.05038	0.5
113.02451	1.1
117.03455	1.1
119.03455	0.7
125.02443	0.8
127.00389	1.0
131.03513	1.2
132.02185	1.3
133.02954	33.6
134.03671	1.4
135.04515	16.7
136.04805	0.5
139.04036	0.9
143.03523	0.5
144.79666	0.3
161.02432	100.0
162.02794	2.8
163.03992	0.7
178.06285	0.8
179.03487	9.7
180.03836	0.5
183.06584	0.5
191.03566	0.4
291.08771	0.6
320.28290	0.3
335.06100	0.4
336.06885	2.5
346.27713	0.4
367.12595	0.5
481.55283	0.3
529.15570	68.5
530.15955	5.7
543.93665	0.4
547.16736	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	547.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18459	0.4
59.01112	0.6
59.01379	9.0
60.99012	0.9
60.99306	14.3
61.98536	0.7
61.98828	9.2
71.01369	1.4
73.02934	1.0
73.99119	0.4
85.02953	0.7
88.98801	100.0
89.02439	0.8
89.89575	0.5
89.99153	0.7
101.02450	1.4
108.02134	0.6
113.02431	0.9
117.03475	3.1
119.03496	0.5
119.05017	1.7
123.04490	0.8
133.02986	0.9
135.04530	0.9
135.92451	0.4
145.02945	18.2
146.03386	0.7
159.04489	0.7
161.02444	2.6
161.04506	0.8
163.03969	2.6
165.05545	0.6
175.07578	0.7
179.03397	0.6
185.11859	6.5
191.05515	0.5
198.65416	0.4
219.06543	1.0
233.04543	1.1
268.25824	0.5
319.14032	3.6
358.97467	0.5
385.12405	0.7
413.21814	0.5
511.14285	0.9
511.21844	14.0
512.22241	1.4
547.18420	0.7
547.27527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88327	0.7
59.01377	28.6
60.99012	1.1
60.99304	16.9
61.98818	3.2
67.86262	0.7
69.03451	1.0
71.01373	5.3
71.52289	0.7
73.02937	2.4
85.02948	1.3
87.00848	1.0
88.98801	100.0
89.02439	3.0
93.03402	0.8
98.13234	0.7
101.02433	2.8
105.01932	0.8
111.00882	1.3
112.66953	0.6
113.02462	1.8
119.03467	0.9
125.02435	0.8
133.02966	1.2
135.04539	0.6
136.94695	0.7
139.11279	1.4
145.02969	1.3
149.04500	1.3
151.03938	0.8
161.02405	2.2
161.04578	1.6
183.10233	10.8
191.05637	1.2
193.61436	0.6
321.15524	5.8
407.42154	0.8
547.15039	1.2
547.26776	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	547.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18459	0.4
59.01112	0.6
59.01379	9.0
60.99012	0.9
60.99306	14.3
61.98536	0.7
61.98828	9.2
71.01369	1.4
73.02934	1.0
73.99119	0.4
85.02953	0.7
88.98801	100.0
89.02439	0.8
89.89575	0.5
89.99153	0.7
101.02450	1.4
108.02134	0.6
113.02431	0.9
117.03475	3.1
119.03496	0.5
119.05017	1.7
123.04490	0.8
133.02986	0.9
135.04530	0.9
135.92451	0.4
145.02945	18.2
146.03386	0.7
159.04489	0.7
161.02444	2.6
161.04506	0.8
163.03969	2.6
165.05545	0.6
175.07578	0.7
179.03397	0.6
185.11859	6.5
191.05515	0.5
198.65416	0.4
219.06543	1.0
233.04543	1.1
268.25824	0.5
319.14032	3.6
358.97467	0.5
385.12405	0.7
413.21814	0.5
511.14285	0.9
511.21844	14.0
512.22241	1.4
547.18420	0.7
547.27527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72812	1.7
52.14302	1.9
53.48949	2.1
59.01374	87.7
60.01733	2.6
61.98825	100.0
69.03427	2.1
71.01375	32.2
72.99314	2.3
73.02929	15.5
83.01363	6.1
85.02956	6.2
86.50976	2.0
87.00881	3.8
89.02440	13.3
93.28259	1.9
96.92759	2.1
99.35484	1.9
101.02431	30.3
113.02424	13.1
119.03477	7.0
157.59076	1.9
159.26627	2.6
161.04539	7.0
179.05627	4.7
266.22107	2.0
281.19055	13.9
283.16809	2.4
298.73141	2.0
299.20084	9.4
443.24191	40.4
444.24448	3.0
461.25250	11.7
487.32568	6.3
503.26309	19.9
505.33997	2.4
547.16498	3.3
547.34552	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	547.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.11247	3.6
61.98824	78.7
69.20904	7.8
69.21300	29.4
71.01382	18.3
73.02940	11.2
85.02930	5.2
87.81738	4.0
89.02412	6.8
98.20659	9.4
101.02440	9.7
113.02425	6.6
161.04459	4.9
209.11801	8.1
311.22119	10.3
487.32449	10.3
505.33749	9.6
547.15930	12.9
547.27234	11.4
547.34338	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	547.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
57.03448	1.6
58.00591	0.4
59.01376	100.0
60.01719	0.8
61.98828	9.9
64.27135	0.2
67.50426	0.2
69.03455	0.8
71.01379	12.2
71.52882	0.2
71.53278	0.2
72.99323	0.3
73.02940	4.0
75.00880	0.3
75.73066	0.2
78.16047	0.2
83.01377	4.2
83.01825	0.3
85.02946	7.7
86.00098	0.5
87.00862	1.1
88.98815	0.7
89.02444	0.8
95.01397	1.4
97.02967	0.6
99.00877	2.5
101.02441	9.6
102.02801	0.3
111.00858	1.4
112.01667	0.8
113.02444	6.1
115.04033	0.6
121.10235	0.6
124.01648	0.5
125.02441	1.5
129.01927	0.3
143.03499	1.6
159.02979	0.8
161.02490	0.4
161.04561	3.0
171.13882	0.3
185.15431	0.7
191.05646	0.2
213.18684	0.6
279.23279	2.8
295.26913	0.3
297.24329	0.9
325.27432	0.7
329.19843	0.3
333.19244	0.3
343.28467	5.2
344.28754	0.3
347.20728	1.1
381.22644	0.3
385.29559	0.3
399.23599	0.4
439.30548	0.6
441.24423	0.3
451.30908	0.2
457.31799	0.7
487.32721	54.3
488.33017	4.4
505.33771	25.4
506.33984	2.1
547.34717	1.4
572.67230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06655	0.2
55.01876	1.0
57.03447	1.7
58.00583	0.4
59.01375	100.0
60.01705	0.7
61.98825	7.0
68.99818	0.2
69.03434	0.3
71.01377	16.4
71.05041	0.3
71.53226	0.2
71.60852	0.1
72.99306	0.8
73.02937	4.3
74.02473	0.7
75.00846	0.3
83.01388	2.9
85.02945	9.2
86.00096	0.3
87.00890	0.9
87.01356	0.2
88.98803	0.7
89.02441	3.2
95.01388	1.8
97.02954	0.8
99.00880	2.3
101.02434	9.0
111.00887	0.6
111.08114	0.2
112.01640	0.2
113.02447	10.6
115.03983	0.5
116.92892	0.2
119.03508	0.8
124.01664	0.5
125.02463	1.0
129.01927	0.3
131.03532	0.3
135.04507	0.7
136.01657	1.0
137.02455	0.2
137.26756	0.2
143.03497	2.1
151.03975	1.2
159.02985	0.7
161.02452	0.4
161.04520	4.2
169.82332	0.2
179.03516	0.2
187.13370	0.2
191.05658	0.3
197.15392	0.3
213.18562	0.3
263.20096	0.2
279.23282	1.5
297.24313	0.7
325.27484	0.5
328.13208	0.3
343.15421	2.2
343.28491	3.9
344.28772	0.3
413.29135	0.3
439.30646	0.3
451.30536	0.3
457.31567	0.5
487.32724	43.6
488.33020	3.7
504.27966	0.9
505.33774	23.2
506.33984	2.1
547.34760	1.5
548.35883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87473	0.7
59.01377	100.0
61.98827	4.8
72.12314	0.7
75.00874	7.1
85.01248	0.7
112.42352	0.7
114.58289	0.7
150.72267	0.7
161.02440	1.1
218.46928	0.7
232.06448	0.7
310.89453	0.7
368.31723	0.8
383.65625	0.7
452.79092	0.9
471.34836	4.7
547.28772	1.7
547.36615	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37930	1.2
56.71995	1.1
59.01370	7.4
61.98811	2.9
63.58588	1.0
66.92596	1.3
70.52633	4.5
129.27510	1.4
216.94196	1.5
314.56613	1.3
315.21808	1.2
340.40378	1.2
443.24051	2.0
487.34244	100.0
488.34598	8.7
547.29120	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68222	0.5
59.01374	10.8
61.98832	6.5
70.25005	0.7
70.25357	1.9
71.05003	2.0
72.99313	6.8
77.63217	0.6
89.74275	0.5
98.20699	0.6
251.20161	6.6
253.09331	0.7
277.31445	0.6
359.29691	0.7
385.31573	0.8
387.29041	2.3
389.28619	1.3
397.31271	0.7
405.31766	6.4
407.33258	1.4
409.30850	0.7
411.32684	0.8
413.34476	3.1
423.32709	1.3
424.15149	0.6
425.34210	5.2
427.32138	5.1
439.32175	2.1
441.33948	2.9
443.35498	1.3
451.31824	0.7
487.34256	100.0
488.34579	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	548.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
59.01377	3.3
61.98825	100.0
64.58749	0.2
69.54632	0.3
69.55039	1.0
71.01395	0.9
73.02930	0.2
77.76033	0.2
83.01380	4.1
85.02948	0.5
87.61459	0.2
89.02421	0.3
93.03461	0.2
101.02448	0.6
109.02962	0.3
111.00853	0.2
113.02429	0.2
121.02930	0.5
122.03745	0.8
123.04539	0.5
133.02945	2.6
134.03775	0.2
135.04514	2.3
136.01633	0.5
137.02431	0.8
137.06096	0.9
147.04495	0.5
149.02449	0.6
149.04556	0.2
150.03244	0.9
151.03999	0.9
152.04379	0.2
161.02428	7.2
162.02776	0.6
177.01949	0.8
179.02135	0.2
179.03436	1.2
203.03551	0.5
207.06783	0.2
267.37427	0.2
319.67337	0.2
323.07886	0.6
343.08261	0.2
343.11768	1.1
344.12106	2.4
357.09698	0.4
368.12189	0.3
372.12189	0.6
387.14459	9.2
473.11115	0.2
505.26517	0.3
548.15143	0.7
548.28107	0.5
549.22943	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
59.01377	3.3
61.98825	100.0
64.58749	0.2
69.54632	0.3
69.55039	1.0
71.01395	0.9
73.02930	0.2
77.76033	0.2
83.01380	4.1
85.02948	0.5
87.61459	0.2
89.02421	0.3
93.03461	0.2
101.02448	0.6
109.02962	0.3
111.00853	0.2
113.02429	0.2
121.02930	0.5
122.03745	0.8
123.04539	0.5
133.02945	2.6
134.03775	0.2
135.04514	2.3
136.01633	0.5
137.02431	0.8
137.06096	0.9
147.04495	0.5
149.02449	0.6
149.04556	0.2
150.03244	0.9
151.03999	0.9
152.04379	0.2
161.02428	7.2
162.02776	0.6
177.01949	0.8
179.02135	0.2
179.03436	1.2
203.03551	0.5
207.06783	0.2
267.37427	0.2
319.67337	0.2
323.07886	0.6
343.08261	0.2
343.11768	1.1
344.12106	2.4
357.09698	0.4
368.12189	0.3
372.12189	0.6
387.14459	9.2
473.11115	0.2
505.26517	0.3
548.15143	0.7
548.28107	0.5
549.22943	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52221	0.2
50.83074	0.2
59.01374	4.9
61.98825	100.0
66.40410	0.2
71.01375	0.8
71.52110	0.2
71.52491	0.2
73.02950	0.3
83.01377	2.1
83.01752	0.2
85.02959	0.4
88.98835	0.2
89.02430	0.5
89.75092	0.2
101.02427	0.7
108.02190	0.5
113.02438	0.4
116.05541	0.2
119.03454	0.3
119.05075	0.2
121.03030	0.2
126.94979	0.2
133.02960	0.7
135.04570	0.2
137.02417	1.1
138.03310	0.4
145.02956	0.3
146.03259	0.3
151.04025	0.3
151.12076	0.2
152.04799	0.3
153.05609	0.2
161.02460	0.8
161.04541	0.3
162.02881	0.2
163.04041	0.5
167.07088	0.4
175.03987	0.2
177.01903	0.4
177.05560	0.3
185.11804	6.6
190.06409	0.3
216.08179	0.2
236.77405	0.2
284.93546	0.2
309.00089	0.2
321.15567	2.0
328.13351	0.2
357.09851	0.5
372.12292	0.8
386.13327	0.2
387.14441	9.1
428.58423	0.2
504.16217	0.7
548.21967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	43.1
59.70046	0.3
60.01708	1.1
61.98826	100.0
69.03458	0.4
71.01382	4.0
73.02953	1.5
73.29537	0.4
83.01395	0.6
84.26019	0.3
85.02943	1.9
87.00890	0.5
89.02457	1.1
95.01389	0.5
99.00845	0.4
101.02444	2.4
106.41758	0.3
113.02450	2.6
139.65096	0.4
161.04564	1.4
229.08676	0.7
230.09518	0.6
311.99106	0.4
337.46292	0.3
399.23825	0.7
409.59283	0.4
441.24966	1.5
487.32877	0.7
488.33093	4.0
489.34171	2.4
506.34256	1.7
507.35648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65770	0.3
59.01376	47.4
60.01715	0.8
61.98826	100.0
71.01383	3.1
73.02955	1.3
83.01364	0.7
85.02939	1.6
89.02418	1.0
90.90845	0.3
98.19910	1.1
101.02444	2.0
112.84651	0.3
113.02431	2.2
116.87629	0.3
119.03510	0.3
130.07472	0.3
161.04463	0.6
237.39784	0.3
247.62653	0.3
370.11908	0.4
381.22748	2.3
399.23874	3.2
441.24759	1.8
445.36987	0.3
487.32077	0.5
488.33292	2.0
489.33371	1.1
506.33264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90988	0.3
59.01376	30.3
61.98826	100.0
71.01376	2.0
72.30930	0.3
73.02942	0.6
83.01392	0.4
85.02964	0.6
89.02428	0.7
98.20776	0.6
100.05970	0.3
101.02417	1.3
109.43411	0.3
113.02448	1.2
118.88475	0.3
140.91492	0.3
161.04601	0.7
223.69695	0.3
229.47775	0.2
330.96710	0.3
399.24002	1.2
400.23877	0.3
441.25323	0.9
489.34653	1.1
507.35632	0.7
555.02899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
55.93855	0.3
57.03450	0.7
57.90826	0.3
58.56668	0.4
59.01376	49.4
59.26554	0.3
60.01730	0.5
61.98826	100.0
62.73101	0.3
69.35541	2.0
71.01007	0.7
71.01382	7.8
73.02946	6.4
74.02468	0.7
83.01387	2.0
85.02953	3.1
88.98840	0.3
89.02448	1.8
92.08460	0.4
95.01370	0.8
97.02914	0.4
99.00864	0.9
100.95338	0.3
101.02438	7.6
111.00858	0.5
113.02438	4.8
119.03480	0.7
125.94549	0.3
127.59963	0.3
131.03470	0.5
133.18167	0.3
135.04393	0.3
143.03436	1.0
149.04503	1.3
161.02411	0.5
161.04510	3.7
179.05630	0.4
203.05464	0.3
230.09341	0.5
230.73671	0.3
290.95343	0.3
297.35089	0.3
299.25546	0.3
345.29651	1.0
399.23306	0.4
425.33792	0.4
441.24991	0.6
487.32086	0.8
488.33170	2.8
489.34317	11.0
504.27454	0.9
506.33936	0.7
507.35382	4.6
534.57843	0.3
549.36157	0.6
561.94879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63000	0.3
59.01377	16.7
60.01687	0.4
61.98829	100.0
69.46571	2.1
69.46996	0.6
70.61228	0.3
71.01382	4.1
73.02944	6.5
83.01374	1.6
85.02956	0.5
89.02457	1.5
93.69731	0.3
101.02438	7.4
113.02448	2.4
119.03513	1.2
131.03537	0.7
141.21489	0.3
143.03510	1.2
149.04564	1.6
161.04527	3.1
165.08786	0.3
203.05699	0.5
221.06651	1.1
277.26599	0.3
309.89343	0.3
538.23260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03444	0.3
59.01377	39.6
60.01713	0.7
61.88779	0.2
61.98827	100.0
71.01376	4.5
71.53450	0.4
73.02937	2.4
78.56509	0.3
83.01398	1.4
84.07577	0.3
85.02951	1.6
87.00871	0.4
89.02444	1.8
93.03445	0.3
95.01391	0.4
99.00912	0.6
101.02432	4.6
102.02731	0.4
113.02430	2.2
119.03478	0.5
135.04504	0.4
143.03503	0.4
161.02516	0.4
161.04536	1.5
227.43201	0.3
229.27466	0.3
230.09651	0.4
288.83987	0.3
294.01453	0.3
381.22855	1.6
399.23770	4.9
399.27982	0.4
441.24893	6.4
441.30322	0.5
442.25168	0.5
444.30457	0.7
462.31729	0.4
488.33554	0.9
489.34384	0.6
501.11734	0.4
506.34415	0.4
548.16431	3.6
548.35168	0.6
549.17542	0.6
549.24957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51019	0.2
57.43351	0.2
59.01377	13.8
60.01706	0.3
60.99309	1.3
61.98827	100.0
64.11411	0.2
68.07376	0.2
69.03450	0.2
71.01382	1.8
73.02945	0.6
83.01389	0.3
85.02942	0.8
88.98805	7.6
89.02453	1.0
89.99142	0.7
101.02465	0.9
113.02466	0.6
117.03481	0.2
129.01900	0.5
133.02931	1.4
134.03778	0.3
135.04538	1.3
136.01602	0.4
137.02438	0.4
139.04025	0.3
142.20560	0.2
145.02959	0.7
149.02469	0.6
150.03203	0.4
151.03992	0.8
152.72861	0.2
161.02435	4.2
161.04433	0.3
162.02762	0.4
163.04057	0.3
177.01915	1.1
177.04051	0.7
179.03494	0.9
185.11897	0.4
203.03447	0.3
237.07742	0.4
251.08127	0.2
323.07755	0.3
387.14514	0.9
399.23990	0.7
441.25021	0.8
467.13660	0.4
504.25479	0.5
510.82159	0.3
532.27820	0.2
545.17010	0.3
548.14923	0.3
548.27838	0.3
549.16199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08914	0.7
58.25020	0.7
59.01381	8.2
60.70611	0.7
61.98827	100.0
69.60453	2.9
69.60868	1.4
71.01391	0.8
71.33193	0.8
84.82581	0.8
111.01029	0.8
154.49846	0.6
156.23976	0.8
161.02419	1.1
181.26820	0.7
210.21774	0.8
225.09505	0.7
239.52852	0.7
292.20456	0.7
301.21655	1.0
402.38696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0883
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
59.01376	1.6
65.00314	1.2
68.97409	0.5
69.25500	2.9
69.25921	2.3
70.28428	0.6
71.01375	1.1
79.36131	0.7
80.91689	0.7
83.01383	0.8
93.03453	0.6
101.02442	0.9
107.01405	3.4
108.02216	2.8
108.02863	0.6
109.02937	1.4
113.02431	0.9
118.42908	0.5
121.02946	2.3
124.01593	0.8
135.00842	0.8
148.01671	1.7
149.02298	0.8
151.00368	12.2
159.04515	0.6
161.02403	0.9
161.04465	0.8
163.00363	2.7
163.53625	0.7
164.01086	0.8
168.53621	0.6
175.04018	0.6
178.99841	5.1
192.00743	0.6
211.03938	1.2
218.04543	1.0
226.02744	0.7
227.03471	2.7
228.88002	0.6
229.05139	0.7
243.02992	9.9
244.03365	0.9
245.04556	0.8
247.15459	3.9
254.02260	2.5
255.02966	28.6
255.07657	1.2
256.03427	1.4
267.07458	0.6
271.02448	59.2
272.02878	4.1
273.03995	0.8
281.08939	0.7
283.02386	1.6
283.07214	0.8
295.07159	0.9
299.01959	1.2
300.02719	100.0
301.03458	46.0
301.08612	0.9
302.04028	1.7
309.08588	1.2
311.10355	7.3
315.09949	3.8
319.13876	1.0
327.09714	1.5
337.08185	3.3
355.09329	1.9
369.10800	3.5
387.12009	5.2
397.10367	0.7
429.13062	2.9
459.13882	1.2
463.08798	4.6
489.15118	10.1
505.09811	86.9
506.10138	8.4
517.14197	1.0
549.16949	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	549.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
57.03440	4.1
58.00583	2.6
59.01376	68.3
61.98820	4.2
63.81445	0.9
65.03958	22.7
67.01897	1.0
68.99806	5.8
69.03449	6.5
69.56357	5.3
71.01377	57.7
72.72101	0.9
72.82338	0.8
72.99287	3.0
73.02933	4.4
74.66783	0.9
75.00866	2.3
81.03443	2.2
83.01386	11.4
85.02946	19.1
87.00871	10.6
87.83730	1.0
88.98797	1.2
89.02436	49.9
91.05529	1.2
93.03449	7.4
95.01377	2.4
95.05029	3.3
97.02971	4.8
99.00879	10.0
101.02435	36.0
103.00355	1.2
103.05535	3.4
105.01924	5.3
106.04250	1.4
107.05022	2.3
109.02956	2.7
109.06581	2.2
111.00874	10.5
113.02437	22.9
115.04018	1.5
116.92849	2.2
116.98348	1.1
119.03500	19.6
119.04989	9.4
121.02936	3.8
121.06593	20.6
125.02379	1.6
125.99544	1.4
129.01929	19.0
131.03473	2.9
133.02922	1.0
133.06635	1.2
135.04546	2.2
137.02370	0.9
137.06081	6.6
139.04008	41.4
139.07654	1.0
141.01884	2.2
143.02541	1.0
143.03471	4.3
145.02957	1.1
145.06554	1.5
147.02988	13.1
147.04504	15.2
148.20059	0.9
149.04568	1.9
149.06029	1.7
151.07620	1.4
155.07092	1.1
159.03024	4.8
159.08397	1.0
161.02434	2.6
161.04550	8.8
161.05804	1.7
163.04015	2.5
163.07622	2.6
165.05557	66.6
166.05893	1.7
177.04013	25.3
179.05618	12.1
179.07060	1.7
181.05086	4.4
183.06618	19.6
189.05539	1.6
191.03516	1.9
199.06104	2.1
207.06561	1.4
209.04535	28.6
215.82365	0.9
217.03551	9.9
223.06305	0.9
247.04562	37.9
251.05582	1.6
267.08774	1.0
278.36090	0.9
297.06491	9.8
311.07706	1.1
327.10715	12.6
339.07144	2.9
341.09015	1.1
345.11911	12.9
357.08188	4.2
369.08386	2.0
371.09814	30.7
372.10010	1.5
387.09259	10.6
387.16205	1.4
387.20419	1.4
389.10886	28.5
431.11658	5.3
441.58112	1.1
501.12570	12.6
519.13538	37.7
520.13837	1.6
531.15826	1.3
549.14520	100.0
549.25012	16.2
550.15247	6.8
551.40784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15268	1.1
55.52471	0.9
59.01378	21.3
60.50881	1.2
60.99295	4.1
61.98535	1.5
61.98830	17.5
63.62333	1.0
69.41399	8.5
71.01381	10.9
72.99284	2.0
73.02951	1.9
83.01377	1.6
85.02958	3.3
87.00876	1.3
88.98802	22.1
89.02438	16.9
89.99133	1.7
90.99197	2.0
95.01380	1.4
96.73517	1.2
98.19908	2.3
99.00883	2.1
101.02421	5.8
113.02432	6.5
119.03508	5.8
121.02944	3.2
122.03790	1.2
123.00845	2.3
123.04549	1.3
125.02409	1.7
129.01797	1.1
129.25137	1.0
131.03520	1.1
133.02948	2.2
135.04526	1.6
136.01660	46.3
137.02469	6.4
138.03174	1.0
145.02989	1.4
149.04558	2.2
151.00374	7.9
151.03999	63.3
159.04395	1.2
160.01624	3.4
161.02481	5.4
161.04596	2.5
163.04054	1.6
166.02695	25.6
167.03377	1.5
174.16568	1.1
175.03944	1.5
177.01865	1.6
177.05464	1.4
179.05649	2.3
181.05063	34.7
183.10210	1.4
191.05640	1.3
205.08765	1.2
215.53391	1.2
221.48807	1.2
244.07384	1.2
251.07349	1.2
268.07343	4.2
279.06604	1.4
280.07449	3.2
283.09766	3.1
293.08328	1.6
294.08771	1.4
296.06702	3.6
308.07059	5.2
309.07678	4.8
311.09219	2.3
322.08472	2.7
323.09262	11.9
324.06229	4.7
324.09937	4.0
329.10294	1.6
337.10678	1.5
338.11490	2.2
339.08710	28.0
339.12585	2.6
340.08960	2.8
354.11130	7.5
357.09793	14.3
369.13431	35.0
370.13562	2.6
372.12125	7.5
387.14493	100.0
388.14828	6.7
473.56613	1.1
490.72217	1.2
549.15753	1.5
549.29736	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29437	0.4
55.69255	0.4
59.01376	6.2
60.99322	0.6
61.98832	5.7
63.19386	0.5
68.22312	0.4
71.01373	4.1
71.52377	0.9
72.64822	0.4
72.75161	0.5
73.02933	1.0
85.02945	1.2
87.00854	0.6
88.98777	3.5
89.02457	3.2
101.02438	1.8
105.01926	0.7
107.01436	0.4
108.02184	0.6
109.02961	1.2
113.02474	1.5
119.03509	1.1
121.02926	1.6
123.00887	1.6
123.04549	0.7
125.02444	0.9
132.07137	0.5
133.02956	0.6
133.76416	0.5
135.04465	1.0
136.01654	41.6
137.02460	5.8
147.04515	0.8
149.02443	1.7
151.00410	5.5
151.03993	58.5
152.01167	0.9
152.04572	1.9
159.04536	0.6
159.37305	0.5
160.05283	0.6
161.02414	1.9
161.04543	1.1
161.05904	0.6
162.03154	1.2
163.04045	0.9
166.02693	24.4
167.03273	1.2
175.03998	1.0
175.07542	1.0
176.04649	0.6
177.01924	1.6
177.04080	0.8
177.05528	1.2
179.03490	0.7
179.07155	0.7
181.05046	33.6
182.05322	0.8
183.10214	0.6
185.11806	1.0
190.06334	0.8
205.04903	1.3
205.08716	0.7
283.09848	0.9
300.02963	0.7
311.09488	0.7
312.09967	0.6
323.09177	1.0
329.10306	1.8
339.08771	2.9
341.13828	0.7
354.10965	1.1
357.09750	11.4
358.10068	0.7
369.13370	3.4
372.12067	7.5
387.14453	100.0
388.14746	7.5
549.16132	1.2
549.29150	0.8
550.24420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.0
59.01376	14.0
60.99300	14.4
61.98825	13.8
71.01391	3.4
71.53510	0.9
72.99306	0.9
73.02943	1.8
78.15674	0.6
83.01382	45.0
84.01704	0.6
85.02949	1.5
85.09832	0.7
88.98801	100.0
89.02474	2.8
92.84962	0.7
96.96023	1.0
99.04475	0.6
101.02448	1.5
108.02184	1.0
113.02460	1.3
116.44650	0.6
121.02951	2.3
122.03729	8.7
122.04549	1.0
123.04498	4.1
133.02956	3.7
135.04509	2.5
136.01639	1.4
136.05263	1.9
137.02423	3.4
137.06078	7.6
147.04518	2.4
150.03078	0.6
151.00371	0.6
151.04012	6.8
161.02438	10.2
161.04683	0.8
161.06007	1.1
162.02837	0.7
168.04231	0.9
175.04037	1.3
177.01967	0.8
179.03519	1.0
185.11830	2.0
221.08202	3.3
239.09233	1.2
313.10770	1.3
357.09811	6.6
366.34705	0.6
369.13205	1.2
372.12097	10.3
387.14438	97.0
388.14761	6.4
487.25632	1.0
489.23099	1.5
549.21649	2.6
549.30511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.5
57.03430	0.6
59.01114	0.8
59.01381	10.1
59.26020	0.5
60.99303	15.5
61.98818	1.7
64.99657	0.5
69.38536	2.9
69.38942	0.8
71.01382	6.5
72.99289	0.7
73.02942	1.7
74.14073	0.5
82.86431	0.5
83.01397	3.1
85.02964	2.4
88.98801	100.0
89.02441	3.1
99.00889	0.8
99.04535	1.0
101.02406	3.7
108.02158	2.9
109.02983	0.8
113.02435	2.3
117.03452	0.5
119.03543	0.7
121.02966	1.2
122.03729	1.4
123.00883	1.0
125.02438	0.8
128.30626	0.5
133.02948	2.1
134.03558	0.8
135.04497	2.1
136.01645	12.2
137.02443	3.9
142.29976	0.6
149.02515	0.7
150.03139	0.6
151.00345	2.7
151.03995	17.9
152.01205	0.5
152.04512	0.5
154.65865	0.5
159.02951	0.8
161.02426	7.7
161.04567	2.2
162.02815	1.2
163.04039	0.8
166.02704	7.5
167.03430	0.5
177.01929	0.7
177.05516	0.9
179.03467	1.0
181.05035	10.4
185.11809	4.9
189.12874	0.5
204.91592	0.5
205.42598	0.5
207.13864	1.4
251.12810	2.4
321.15558	1.7
357.09811	7.7
372.12183	4.5
387.14471	46.7
388.14709	3.6
413.23206	0.6
417.25131	1.4
466.88589	0.6
505.16455	1.2
549.22009	5.8
549.29291	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	549.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53654	0.7
55.01878	3.4
57.03443	5.1
58.00581	2.8
59.01377	64.6
60.01675	0.7
61.98831	3.4
69.03452	1.2
69.16130	0.7
69.16444	6.8
71.01377	68.7
72.99301	3.5
73.02941	10.1
75.00870	0.9
83.01384	9.1
85.02947	38.6
87.00863	4.2
89.02439	48.1
94.68742	0.6
95.01385	12.6
97.02930	2.1
98.20690	1.5
99.00880	3.6
101.02437	50.4
106.84745	0.6
109.46729	0.6
113.02444	79.2
114.02743	1.3
119.03494	18.2
125.02463	1.5
129.01877	0.7
131.03473	2.1
143.03500	8.1
147.75066	0.7
149.04561	1.6
154.41986	0.6
159.02953	2.0
161.04544	33.8
162.04810	0.9
179.05600	16.0
189.12819	6.9
207.13896	2.2
293.80380	0.7
323.09802	1.4
378.61786	0.7
387.20200	26.7
388.20627	1.9
431.19113	1.6
549.25458	100.0
550.25854	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	549.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01375	31.1
61.98833	4.8
69.16080	5.9
71.01379	6.0
73.02935	2.3
77.03951	1.4
83.01387	1.6
85.02954	5.6
89.02427	1.2
99.68047	0.6
101.02444	4.3
112.63968	0.6
113.02440	2.7
121.02947	100.0
122.03287	2.9
123.13577	0.6
127.26713	0.8
161.02446	0.6
162.87553	0.6
165.01910	47.4
166.02283	1.8
181.06602	2.1
185.02466	0.7
197.06044	2.1
207.04535	1.2
225.05574	1.7
257.09637	1.0
301.21677	30.3
302.22086	2.5
313.07031	1.3
357.06241	1.2
383.08011	0.8
387.31061	1.1
417.09821	1.8
445.25912	32.5
446.26413	3.1
463.26929	14.6
464.27228	1.4
505.11041	1.5
505.27969	3.7
549.10333	31.7
549.36182	7.1
550.10748	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17274	2.3
59.01375	91.1
61.98827	21.1
69.69489	4.6
69.69907	9.2
71.01381	19.6
73.02927	6.0
76.51520	2.3
77.37951	2.9
83.01385	6.7
84.49978	2.1
85.02953	14.0
87.74049	2.2
93.22966	2.4
93.38534	2.1
96.75220	2.4
99.00862	3.9
101.02439	15.7
103.43984	2.4
104.49986	2.5
113.02430	7.5
121.02957	6.8
145.11177	2.8
150.58067	2.4
158.28708	2.4
161.02386	5.2
165.01860	2.6
210.28157	2.4
210.30763	2.4
219.87523	2.4
301.21722	100.0
302.22067	5.4
371.32605	2.6
445.25897	69.2
446.26450	7.1
463.26953	42.2
464.26886	4.9
505.28152	9.9
549.11334	3.0
558.26447	2.6
559.67908	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72670	0.6
59.01375	83.9
60.01697	0.6
60.99298	4.8
61.98827	3.1
71.01372	7.6
71.52166	1.0
72.99304	10.1
73.02944	3.4
75.24287	0.6
83.01395	0.8
85.02945	2.6
87.00869	0.7
88.98799	33.1
89.02438	2.5
93.03434	0.7
95.01405	0.7
99.00876	1.1
101.02431	5.4
111.78627	0.6
113.02443	3.7
119.03520	1.3
119.05061	0.8
121.02938	1.1
122.03707	0.8
123.00893	0.8
125.02441	0.7
133.02940	2.2
135.04503	2.4
136.01653	10.9
136.80821	0.8
137.02457	1.9
139.11330	1.0
141.12885	1.1
150.03227	0.7
151.00327	1.7
151.03993	15.6
161.02432	9.3
161.04492	6.4
162.02824	0.7
163.04021	1.6
166.02718	6.3
174.52634	0.7
177.01949	0.8
177.05540	0.8
179.03459	1.5
181.05106	5.5
181.44624	0.7
185.11803	100.0
186.12071	3.6
191.01942	3.8
207.28093	0.6
224.69551	0.6
300.02625	0.8
321.15494	29.4
322.15607	1.3
329.10251	1.2
357.09647	6.6
372.12012	4.0
387.14456	35.9
388.14795	2.3
479.27914	0.7
487.12076	0.8
489.26703	1.3
505.15878	1.7
549.22052	4.1
549.29187	2.4
550.23816	0.8
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
59.01377	82.5
60.99308	4.5
61.98824	3.0
67.48908	0.6
69.03468	0.7
71.01378	5.2
72.99310	3.2
73.02944	2.1
85.02953	2.5
88.72929	0.5
88.98803	32.2
89.02454	2.4
90.99172	0.6
98.19879	1.1
101.02447	4.2
113.02443	2.6
121.02979	0.6
133.02921	1.2
134.03775	0.5
135.01138	0.6
135.04544	1.4
136.01657	13.7
136.02647	1.0
137.02415	2.3
139.11322	0.6
141.12868	1.1
151.00343	2.6
151.04005	13.7
161.02470	3.3
161.04552	6.9
161.05794	1.1
166.02695	8.1
167.03503	0.8
174.16133	0.6
175.03899	0.6
181.05057	8.1
185.11813	100.0
186.12178	2.7
191.01903	0.8
191.03473	0.6
200.63199	0.7
314.20953	0.7
321.11725	1.3
321.15509	26.0
322.15823	1.2
329.10266	0.8
343.58710	0.6
357.09702	6.9
372.12115	5.1
387.14478	35.0
388.14740	2.4
489.27127	0.7
549.23035	1.9
549.30103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
57.03436	2.4
59.01378	100.0
60.01703	1.4
61.98829	23.8
63.13208	0.7
63.46155	0.8
69.14194	8.0
71.01382	19.8
73.02946	8.8
75.00867	1.3
75.25790	0.8
75.76523	0.8
83.01386	5.0
85.02949	10.1
87.00846	1.7
89.02440	4.8
95.01379	2.3
96.96022	1.7
97.02931	1.5
99.00883	2.9
101.02444	18.4
111.00897	0.9
113.02446	10.9
115.12161	0.7
119.03506	1.1
125.02464	1.4
130.08705	0.8
143.03485	2.8
159.02930	2.4
161.02473	1.4
161.04565	5.8
174.39711	0.8
197.33351	0.9
204.05573	0.8
230.09531	1.2
301.27402	1.2
323.99414	0.9
345.30151	3.7
357.22745	9.4
445.31644	16.2
446.31955	1.1
463.32742	10.6
464.33350	1.0
467.16098	0.9
489.26926	23.5
489.34244	21.5
490.27734	1.7
490.34518	1.8
507.35321	9.4
513.27124	1.5
517.14966	1.2
549.24652	1.9
549.36090	1.8
550.24921	0.9
550.34326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
56.27216	0.1
57.03444	2.2
58.00584	0.3
58.94693	0.1
59.01376	100.0
60.01715	0.7
61.98830	1.2
62.17646	0.1
69.03457	0.4
71.01378	16.0
72.01714	0.1
72.99312	0.5
73.02943	4.5
75.00871	0.1
79.73483	0.1
83.01384	2.6
84.02171	0.3
85.02947	9.5
86.00108	0.4
86.03281	0.1
87.00865	0.9
88.98797	0.2
89.02445	2.4
89.57193	0.1
95.01382	1.9
95.21820	0.1
97.02939	0.7
98.19851	0.3
99.00876	2.0
101.02441	7.3
102.47469	0.1
111.00892	1.0
112.01662	0.4
113.02448	8.5
114.02812	0.1
115.03989	0.2
119.03475	0.6
124.01663	0.5
125.02437	1.0
127.11266	0.2
129.02011	0.2
131.03477	0.1
142.02673	0.2
143.03513	1.7
159.02962	0.9
161.04552	3.6
171.13945	0.4
179.05666	0.1
197.15508	0.3
213.18578	1.1
220.00006	0.1
232.69543	0.1
299.25900	1.7
327.28931	0.4
327.72009	0.1
345.30078	4.1
346.30334	0.2
350.66092	0.1
369.30136	0.2
387.31253	0.2
415.30865	0.2
441.32181	0.4
453.32281	0.3
459.33652	0.6
489.34277	52.2
490.34607	5.4
490.41934	0.2
507.35324	24.5
508.35614	2.6
549.36438	3.8
550.36743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32420	0.2
55.01870	2.0
57.03442	1.9
58.00594	0.9
59.01375	100.0
60.01723	0.8
61.98829	6.3
69.03455	0.7
69.16083	2.3
71.01377	26.4
72.01707	0.3
72.99303	1.2
73.02940	8.4
75.00866	0.3
81.03452	0.5
83.01382	25.2
84.01737	0.3
84.02177	0.4
85.02945	11.6
86.03268	0.3
87.00880	1.7
89.02441	8.2
93.03470	0.6
95.01377	3.1
97.02950	0.9
99.00875	2.2
101.02436	14.8
107.05047	0.7
108.02162	0.7
109.02914	0.4
111.00866	1.8
112.01648	0.4
113.02441	14.6
119.03500	2.7
119.04952	0.2
121.02063	0.5
121.02943	8.9
122.03811	0.5
123.00877	1.9
123.04527	0.8
124.01679	0.8
125.02475	2.2
129.01965	0.3
131.03477	0.6
133.03003	0.3
134.03743	0.3
135.04510	6.3
136.05296	9.4
137.02470	0.3
137.06064	0.4
138.03246	0.9
143.03474	1.7
145.02882	0.2
147.04541	0.4
149.02451	0.8
149.04590	0.3
149.06038	0.3
150.03221	1.3
159.03023	0.9
159.04463	0.3
161.02489	0.3
161.04564	5.8
161.05931	0.5
162.03221	0.9
163.04037	0.5
164.04800	0.6
165.05568	0.8
166.02682	0.4
168.04279	4.6
173.06126	0.2
175.03992	0.2
177.05559	2.9
179.05643	0.9
196.96802	0.2
197.06071	0.4
209.06081	0.9
210.06859	0.3
217.05135	0.3
218.05775	0.4
221.06209	0.3
222.06718	0.2
225.05510	1.6
225.09138	0.5
225.22261	1.1
226.06303	0.8
237.05600	1.7
238.06276	0.7
241.08702	0.4
249.05608	0.2
251.07126	0.4
251.23811	0.3
253.05005	1.1
253.08821	0.5
253.21638	1.3
254.05803	1.6
255.06569	0.9
260.68536	0.2
265.05118	1.2
265.08710	0.2
266.05832	1.0
267.06607	0.6
268.07291	0.3
269.08173	5.6
270.08670	0.7
280.07538	0.3
281.08170	0.6
281.24823	1.1
283.09781	0.7
283.22827	0.8
285.11389	0.9
293.08304	0.4
293.24902	0.7
297.24402	1.0
298.04858	0.3
298.86252	0.3
299.25864	1.1
311.25876	0.8
313.10693	0.4
327.19647	0.3
327.29041	1.1
329.26920	0.4
338.08017	0.6
343.28546	0.9
345.30063	11.9
346.30392	0.7
354.10876	0.3
357.30035	1.8
367.11832	0.5
369.13477	2.0
370.14169	1.7
371.14545	0.3
379.11963	0.3
385.16666	0.5
387.31192	0.4
398.13492	1.2
402.13016	0.3
413.15997	28.2
414.16364	2.6
425.16116	0.6
441.32321	0.7
445.16718	0.4
473.15961	0.5
489.15656	1.9
489.34277	70.1
490.34528	6.6
501.15491	5.1
502.15604	0.5
504.17892	1.5
505.18677	0.3
507.35327	27.2
508.35617	2.7
516.17865	3.0
517.18268	0.5
519.20178	14.0
520.20538	1.9
521.21808	0.9
531.20142	11.3
532.20367	1.9
549.21320	9.3
549.35376	1.8
550.21710	1.6
550.36560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15809	0.1
55.01871	0.8
57.02631	0.1
57.03444	1.6
58.00598	0.3
59.01375	100.0
60.01706	0.7
61.98826	1.8
65.89520	0.1
67.01893	0.1
69.03444	0.5
69.21207	0.6
69.21623	0.3
69.66132	0.1
71.01376	10.5
71.05009	0.2
72.01727	0.1
72.99306	0.5
73.02943	3.6
75.00880	0.2
81.03462	0.2
83.01382	3.9
85.02944	7.6
86.00105	0.3
86.03319	0.1
87.00871	0.8
89.02447	1.0
95.01378	1.9
97.02958	0.8
99.00872	1.9
99.08120	0.2
101.02437	7.9
102.02821	0.1
111.00865	1.0
112.01664	0.4
113.02444	6.2
115.03999	0.5
116.25957	0.1
119.03464	0.2
124.01662	0.3
125.02425	1.0
127.11299	0.2
129.01961	0.3
131.03488	0.2
143.03485	1.4
143.10767	0.8
155.14467	0.1
159.03001	0.7
161.04533	1.9
171.13939	0.1
197.15469	0.7
201.05515	0.1
202.06305	0.2
229.08667	0.2
230.09430	0.3
232.70941	0.1
279.23050	0.1
281.24860	0.3
283.22769	0.4
299.25858	2.2
300.26605	0.1
311.25977	0.1
316.63406	0.1
327.28992	0.4
345.30048	5.0
346.30331	0.3
387.31131	0.2
408.08966	0.1
441.32275	0.5
452.17090	0.2
453.31998	0.2
459.33286	0.5
461.31601	0.1
462.31525	0.1
471.33133	0.1
489.34274	49.3
490.27209	0.1
490.28976	0.1
490.34555	4.1
507.35315	22.2
508.35623	2.1
510.31171	0.1
549.36554	1.7
550.36646	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49349	0.1
53.16419	0.1
54.23624	0.1
55.01871	1.4
55.64138	0.1
55.69069	0.1
57.03447	2.1
58.00594	0.4
59.01378	100.0
60.01719	0.5
61.79409	0.1
61.98838	0.7
68.81198	0.1
68.99792	0.2
69.03451	0.7
69.19823	0.5
69.20245	0.9
69.23841	0.1
71.01381	12.0
72.01735	0.2
72.99313	0.6
73.02946	4.1
75.00879	0.3
83.01387	4.7
85.02946	8.9
86.00097	0.5
87.00879	0.7
89.02442	0.5
93.44704	0.1
95.01389	2.0
97.02924	0.8
97.06564	0.2
99.00873	1.8
100.16811	0.1
101.02443	9.0
111.00878	1.5
112.01669	0.6
113.02445	6.4
115.04021	0.5
124.01686	0.3
125.02454	1.1
127.11250	0.2
129.01913	0.2
141.01982	0.2
141.12817	0.2
143.03488	1.3
155.14534	0.2
159.02977	0.8
161.04543	1.5
171.13916	0.8
185.15486	1.0
213.18576	0.5
255.23354	0.2
279.23297	0.7
281.24924	0.1
297.24255	0.3
299.25879	3.0
300.26172	0.2
327.29065	0.5
345.30066	6.2
346.30389	0.4
357.30215	0.3
387.30988	0.2
441.32077	0.5
453.32083	0.2
459.33380	0.6
489.34305	53.9
490.34659	5.1
507.35339	22.3
508.35565	1.9
540.34003	0.2
549.36554	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16673	0.1
53.71295	0.1
54.35006	0.1
55.01877	1.0
56.92798	0.1
57.03178	0.2
57.03440	1.5
57.83677	0.1
58.00587	0.3
59.01375	100.0
60.01711	0.5
61.98828	1.7
64.30396	0.1
68.99809	0.2
69.03445	0.4
70.89880	0.2
70.90206	0.2
71.01378	11.8
72.01710	0.1
72.99318	0.6
73.02943	3.8
75.00866	0.3
83.01380	3.5
85.02946	8.6
85.06569	0.3
86.00117	0.3
87.00851	1.2
89.02443	1.3
95.01379	1.5
97.02943	0.8
98.19646	0.1
99.00874	1.9
101.02434	9.3
102.02795	0.2
111.00880	0.8
112.01657	0.2
113.02444	7.5
114.02786	0.2
115.04040	0.3
115.07645	0.6
119.03504	0.2
122.02515	0.2
124.01698	0.2
125.02438	1.2
129.01988	0.2
141.01965	0.1
142.02776	0.2
143.03479	1.5
149.04597	0.2
159.02992	0.8
161.04543	2.0
164.86261	0.1
189.04616	0.2
211.16985	0.6
229.08566	0.3
231.39771	0.2
239.20096	0.1
251.23746	1.5
260.17050	0.2
279.23303	0.2
281.24847	0.4
297.24310	0.8
299.25870	2.1
311.25677	0.2
327.28995	0.7
343.28491	0.4
345.30051	8.5
346.30405	0.4
415.30859	0.2
422.58035	0.1
441.32147	0.4
453.32242	0.3
459.33151	0.3
489.34280	52.8
490.34607	5.2
507.35315	24.9
508.35681	2.1
549.17010	0.6
549.28827	0.2
549.36426	1.9
550.36786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	23.3
60.99279	2.2
61.98827	79.1
65.03958	2.3
67.01672	1.2
69.38538	4.5
69.38969	3.6
71.01372	14.7
72.99290	1.8
73.02946	5.3
75.00872	2.0
83.01424	1.6
83.38056	0.9
85.02937	4.5
85.44154	1.0
87.00871	3.8
88.98789	17.0
89.01920	1.9
89.02441	14.9
91.62574	1.1
100.44433	1.1
101.02431	9.2
103.03990	2.6
105.51665	1.1
109.02964	6.7
111.00874	2.4
113.02464	5.0
119.03490	4.4
119.05049	2.7
121.06576	1.4
125.02450	1.4
131.03514	2.4
132.02173	1.6
133.02954	28.7
134.03696	1.4
135.04523	53.3
136.01685	1.8
136.04875	1.1
137.02377	1.4
139.03973	2.8
143.03482	3.7
145.02933	3.0
147.04451	2.0
148.05269	1.9
149.06059	8.4
151.03970	3.2
161.02429	100.0
161.04562	2.8
162.02733	2.6
163.04100	1.0
163.06129	2.9
165.05699	2.4
166.05759	1.3
175.03972	10.7
177.04086	1.6
177.05547	13.2
179.03490	55.3
179.05556	5.2
183.06635	1.9
183.92995	1.0
191.05658	1.2
203.03482	44.9
204.04111	2.9
205.07117	2.0
207.06538	1.6
219.06564	2.3
221.04552	11.5
233.04477	5.8
237.07610	2.7
251.05528	3.5
268.00919	1.2
285.90015	1.1
372.09479	1.0
389.10751	2.9
397.11462	2.2
427.12384	15.2
428.13132	1.5
469.13690	3.0
487.14557	99.8
488.14777	7.1
549.25922	1.4
550.15057	2.2
550.25488	1.4
551.15802	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	550.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98826	100.0
62.98541	0.1
69.22905	0.8
98.20604	0.2
136.94615	0.1
159.11147	0.1
161.02504	0.1
182.32858	0.1
185.11833	0.2
186.12144	0.1
191.05774	0.1
225.12994	0.1
234.91057	0.1
251.13356	0.1
288.42355	0.1
491.32120	0.1
523.33020	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	550.338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10983	0.4
59.01351	0.9
61.98826	100.0
70.07681	2.1
81.37151	0.5
87.78120	0.5
88.30019	0.5
88.79693	0.5
114.34918	0.5
119.99657	0.5
132.07088	0.5
187.00084	0.5
229.72832	0.5
233.09273	0.5
268.68524	0.5
551.30475	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	550.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.8
61.98825	100.0
64.53494	0.4
68.17485	0.4
74.87553	0.4
110.07758	0.5
117.03552	0.6
121.02943	1.4
122.66084	0.5
145.02954	3.2
161.02414	0.5
165.01971	0.7
182.14297	0.5
229.48553	0.6
306.42123	0.4
334.09573	0.5
419.69479	0.5
477.95505	0.5
488.34106	0.6
550.11304	0.7
551.32159	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	550.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08190	0.2
59.01372	0.3
61.98827	100.0
64.01196	0.2
69.23885	1.8
69.36696	0.2
82.94438	0.2
84.91617	0.2
98.20744	0.3
111.06364	0.2
194.98958	0.2
205.46971	0.2
273.56927	0.2
425.34930	0.2
550.34723	0.2
566.93518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61507	0.2
58.73042	0.2
59.01388	0.3
61.98827	100.0
70.59184	0.2
72.02577	0.2
73.99958	0.2
87.66875	0.2
95.29943	0.2
98.20764	0.5
130.21356	0.2
137.61681	0.3
177.24847	0.2
181.78206	0.3
229.34122	0.3
416.15939	0.3
534.20502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.2
60.99306	14.0
61.98829	2.5
65.03963	1.1
66.27585	0.4
71.01374	2.1
71.52393	0.8
73.02947	1.6
75.00871	0.6
77.21063	0.4
85.02950	1.2
85.73917	0.4
87.00883	0.5
88.98801	100.0
89.02422	1.0
89.99144	0.9
96.95991	0.7
101.02437	1.7
108.02175	0.9
113.02464	0.9
120.48665	0.4
121.02934	0.5
121.06558	0.8
122.97493	0.5
123.04563	0.5
125.20223	0.4
129.01927	5.1
129.53427	0.4
133.02960	2.8
134.03746	0.8
135.04507	1.3
139.04001	1.1
141.01917	0.5
145.02954	1.1
150.03247	0.5
159.03033	0.5
160.01613	1.0
161.02422	10.0
161.04565	1.0
161.05978	0.6
162.03017	0.5
163.03938	0.4
165.05629	0.8
167.03438	0.8
170.43831	0.4
175.04036	1.0
177.04008	0.7
179.03505	1.3
179.07117	0.5
183.06638	0.6
183.10239	0.4
191.05608	0.6
193.05084	1.1
202.67075	0.4
203.01959	0.9
232.69986	0.4
235.06073	1.1
244.06683	0.4
251.05492	0.5
265.07239	0.7
311.09268	0.4
337.78601	0.5
341.08768	1.0
345.11819	0.6
359.15143	0.6
378.09064	0.5
389.11081	1.7
389.18033	0.8
391.08505	1.0
400.37256	0.4
507.15137	1.1
533.16138	0.6
551.13977	3.8
552.14490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.2
60.99306	14.0
61.98829	2.5
65.03963	1.1
66.27585	0.4
71.01374	2.1
71.52393	0.8
73.02947	1.6
75.00871	0.6
77.21063	0.4
85.02950	1.2
85.73917	0.4
87.00883	0.5
88.98801	100.0
89.02422	1.0
89.99144	0.9
96.95991	0.7
101.02437	1.7
108.02175	0.9
113.02464	0.9
120.48665	0.4
121.02934	0.5
121.06558	0.8
122.97493	0.5
123.04563	0.5
125.20223	0.4
129.01927	5.1
129.53427	0.4
133.02960	2.8
134.03746	0.8
135.04507	1.3
139.04001	1.1
141.01917	0.5
145.02954	1.1
150.03247	0.5
159.03033	0.5
160.01613	1.0
161.02422	10.0
161.04565	1.0
161.05978	0.6
162.03017	0.5
163.03938	0.4
165.05629	0.8
167.03438	0.8
170.43831	0.4
175.04036	1.0
177.04008	0.7
179.03505	1.3
179.07117	0.5
183.06638	0.6
183.10239	0.4
191.05608	0.6
193.05084	1.1
202.67075	0.4
203.01959	0.9
232.69986	0.4
235.06073	1.1
244.06683	0.4
251.05492	0.5
265.07239	0.7
311.09268	0.4
337.78601	0.5
341.08768	1.0
345.11819	0.6
359.15143	0.6
378.09064	0.5
389.11081	1.7
389.18033	0.8
391.08505	1.0
400.37256	0.4
507.15137	1.1
533.16138	0.6
551.13977	3.8
552.14490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44992	0.5
55.01878	0.9
57.03429	0.7
59.01377	12.5
60.99008	1.0
60.99305	14.1
61.98827	17.8
62.98581	0.6
69.37851	4.2
71.01382	7.0
72.99306	0.8
73.02952	1.9
75.00875	1.6
83.00919	1.2
83.01383	14.7
83.20113	0.6
85.02944	3.5
87.00863	1.8
88.84286	0.7
88.98801	100.0
89.02442	4.1
89.99128	0.8
98.19927	1.4
99.00845	1.1
101.02449	3.5
108.02187	0.6
109.02982	0.6
111.00865	1.1
113.02464	3.6
117.87860	0.6
119.03514	0.8
119.04991	1.5
121.02958	1.6
122.03738	1.2
122.56361	0.6
133.02963	3.8
134.03746	1.2
135.03008	1.4
135.04533	2.2
136.01682	2.4
137.02364	1.0
137.06058	3.6
139.03970	1.4
141.57919	0.7
145.03029	0.6
149.04576	0.7
150.03233	0.6
151.03964	4.1
152.04358	1.7
160.01642	1.8
161.02429	16.7
161.04492	1.0
161.06068	0.9
163.03967	1.0
165.05598	1.4
166.02751	1.4
167.03204	0.8
175.03981	2.5
179.03462	1.9
181.05035	2.0
182.05289	1.0
185.11987	0.8
187.13400	3.3
191.05588	1.4
221.08211	5.9
265.07001	0.7
357.13431	1.1
371.14920	1.2
387.14545	1.8
388.14865	2.7
389.15778	20.0
431.13016	0.6
447.22269	5.7
461.14532	17.5
463.21848	3.9
465.23514	2.4
491.21243	0.9
503.15558	1.5
551.15448	1.5
551.23486	1.1
551.30975	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44992	0.5
55.01878	0.9
57.03429	0.7
59.01377	12.5
60.99008	1.0
60.99305	14.1
61.98827	17.8
62.98581	0.6
69.37851	4.2
71.01382	7.0
72.99306	0.8
73.02952	1.9
75.00875	1.6
83.00919	1.2
83.01383	14.7
83.20113	0.6
85.02944	3.5
87.00863	1.8
88.84286	0.7
88.98801	100.0
89.02442	4.1
89.99128	0.8
98.19927	1.4
99.00845	1.1
101.02449	3.5
108.02187	0.6
109.02982	0.6
111.00865	1.1
113.02464	3.6
117.87860	0.6
119.03514	0.8
119.04991	1.5
121.02958	1.6
122.03738	1.2
122.56361	0.6
133.02963	3.8
134.03746	1.2
135.03008	1.4
135.04533	2.2
136.01682	2.4
137.02364	1.0
137.06058	3.6
139.03970	1.4
141.57919	0.7
145.03029	0.6
149.04576	0.7
150.03233	0.6
151.03964	4.1
152.04358	1.7
160.01642	1.8
161.02429	16.7
161.04492	1.0
161.06068	0.9
163.03967	1.0
165.05598	1.4
166.02751	1.4
167.03204	0.8
175.03981	2.5
179.03462	1.9
181.05035	2.0
182.05289	1.0
185.11987	0.8
187.13400	3.3
191.05588	1.4
221.08211	5.9
265.07001	0.7
357.13431	1.1
371.14920	1.2
387.14545	1.8
388.14865	2.7
389.15778	20.0
431.13016	0.6
447.22269	5.7
461.14532	17.5
463.21848	3.9
465.23514	2.4
491.21243	0.9
503.15558	1.5
551.15448	1.5
551.23486	1.1
551.30975	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52335	0.8
59.01376	16.5
65.03958	17.6
68.99813	4.8
69.03448	3.5
70.59904	2.2
71.01376	13.4
72.99287	0.9
73.02939	2.6
81.03434	1.0
83.01385	2.9
85.02941	5.2
87.00857	3.1
88.22167	0.6
89.01933	0.9
89.02446	9.8
93.03448	4.4
93.21015	0.7
95.01395	1.4
95.05009	2.5
99.00864	4.0
101.02444	7.1
103.05518	1.7
106.04221	1.5
107.04979	1.2
109.02903	0.8
111.00855	2.5
113.02457	5.5
119.03491	1.4
119.05012	5.2
121.02888	0.9
121.06579	13.6
129.01913	1.6
137.02460	0.7
137.06075	2.4
139.04002	36.4
141.01889	0.9
145.06500	0.7
147.04514	5.4
155.07063	0.9
156.32237	0.6
161.04567	1.6
161.05992	1.3
163.07639	1.7
165.05540	33.4
166.05853	1.2
181.05011	1.4
183.06606	18.0
191.03568	1.1
206.86844	0.7
207.06592	1.4
209.04515	11.7
223.06181	1.1
225.07652	0.8
227.05617	2.5
269.06897	1.1
327.10910	2.6
345.11905	20.4
346.12341	1.4
371.09778	10.2
374.41135	0.7
389.10852	100.0
390.11218	5.4
431.11899	8.6
432.11975	1.1
461.12915	4.2
491.14139	2.6
551.16132	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34245	0.4
53.43666	0.5
55.01868	1.1
57.03437	1.2
58.00574	0.5
59.01375	13.1
59.24960	0.6
61.98803	0.9
65.03960	18.0
68.99807	1.7
69.03452	4.3
69.23652	4.1
69.24048	1.2
71.01375	13.6
71.05019	1.7
72.99304	5.6
73.02943	7.0
75.00867	8.9
81.03445	3.7
83.01399	0.8
85.02953	3.1
87.00880	1.5
87.04511	0.9
89.02443	6.1
93.03436	2.3
95.04994	1.3
97.02949	0.6
99.00872	4.7
99.04523	6.7
101.02424	5.5
107.05013	0.5
113.02442	3.8
119.03489	1.1
119.04990	2.7
121.06589	13.1
125.02457	0.7
137.06163	0.6
138.00182	0.5
139.04001	28.8
139.07603	0.6
140.04257	0.6
143.03494	4.8
147.04514	0.7
161.04552	11.8
161.05872	0.9
165.05548	16.4
175.94453	0.5
179.05592	12.2
183.06607	16.1
183.22520	0.5
192.82576	0.6
209.04524	4.1
225.07730	0.7
345.11877	6.4
371.09866	0.7
389.10867	16.0
475.14459	1.0
533.15228	0.8
551.16125	100.0
552.16431	8.3
574.61346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.22428	0.4
57.03443	1.1
59.01374	9.5
61.98821	1.3
65.03960	29.9
66.04273	0.5
68.99807	4.6
69.03443	5.6
69.28407	3.3
70.43257	0.5
71.01374	14.1
72.99282	0.7
73.02942	1.0
75.00861	0.7
78.72108	0.4
81.03461	0.5
83.01368	1.3
85.02945	11.6
87.00857	1.3
88.98812	0.8
89.02446	5.2
91.05511	0.7
93.03458	6.1
95.01347	3.8
95.05019	4.4
99.00867	4.7
101.02435	5.9
103.05530	0.7
106.04245	1.1
107.05035	0.9
113.02437	17.4
119.03493	1.9
119.05023	3.0
121.02926	0.7
121.05703	1.0
121.06578	16.3
125.02451	0.5
135.04495	0.6
136.01671	0.8
137.06160	0.5
139.04002	61.5
140.04309	1.6
143.03490	1.3
147.04454	0.5
154.17184	0.5
159.02954	0.7
161.04593	3.2
165.04156	1.1
165.05557	21.5
166.05838	0.6
179.03421	0.8
179.05620	0.7
181.05113	0.7
183.06602	22.3
209.04533	11.5
227.05576	2.1
254.31230	0.5
269.89014	0.5
327.10913	0.9
345.11877	1.1
389.10904	0.8
507.17151	14.9
507.24677	0.8
508.17804	0.9
551.16113	100.0
552.16425	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	551.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69812	1.1
55.01851	1.0
56.61432	1.0
57.03445	2.8
59.01373	19.6
62.90800	1.1
65.03957	26.7
68.99804	4.7
69.03445	6.0
71.01382	19.3
71.05009	1.7
71.51147	1.3
71.68961	1.1
72.99284	3.9
73.02940	6.6
75.00471	1.4
75.00868	14.9
81.03433	3.2
83.01387	1.9
84.02155	1.1
85.02930	11.1
87.00879	9.1
87.04499	1.2
89.02436	9.4
93.03455	5.6
95.01354	2.2
95.05026	2.9
95.54689	1.0
99.00891	5.9
99.04493	4.9
101.02458	8.9
106.04253	1.6
111.00854	2.4
113.02456	8.5
117.01923	4.3
119.03468	1.9
119.05004	4.4
121.06598	18.6
129.01926	3.6
139.04002	50.8
140.04349	1.5
143.03473	3.9
145.72495	1.0
147.04535	2.8
161.04541	12.4
165.05563	27.5
179.05576	10.1
183.06624	19.1
191.01981	1.4
191.05550	1.6
209.04515	12.1
209.06627	11.9
213.21916	1.1
227.05583	1.7
345.11905	10.1
371.09500	1.8
383.72644	1.2
389.10895	31.9
390.11148	1.7
431.11859	4.5
461.12979	3.3
468.01892	1.3
491.14261	3.6
507.17429	5.3
551.16132	100.0
552.16278	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	551.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
59.01373	6.3
61.98829	5.4
71.01376	1.7
83.01382	69.8
84.01708	1.2
93.03424	1.2
98.85411	0.5
121.02953	18.2
122.03719	1.0
123.00858	2.4
124.21198	0.5
136.05290	20.0
137.02411	0.8
137.06067	0.6
138.03246	1.8
146.03705	0.5
147.04500	2.4
161.06104	1.6
168.04260	9.2
199.93990	0.5
209.08333	0.6
235.09682	1.9
263.88370	0.6
287.20172	2.1
312.13507	1.2
356.12643	13.0
356.17081	0.8
357.13382	3.5
371.14935	100.0
372.15311	7.1
491.26282	3.5
551.22772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	38.6
61.98822	100.0
70.16098	10.3
101.52533	9.1
111.67426	8.5
121.32920	11.8
125.37240	9.9
126.39276	9.9
159.62427	10.3
160.98170	9.3
161.77908	8.4
176.09288	11.2
279.23395	10.1
361.93298	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	551.3044
Annotation	2,3-DIACETOXY-7,8-EPOXY-24,29-DINOR-1,3,5-FRIEDELATRIENE-20-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
53.61294	0.2
59.01364	1.0
61.98832	2.0
64.89775	0.2
70.63315	0.4
70.63638	0.4
78.89156	0.2
79.95729	2.8
83.85448	0.2
95.95222	1.9
96.96014	0.7
105.87496	0.2
135.48775	0.2
179.76750	0.2
180.73615	0.2
235.06328	0.2
303.12881	1.0
431.04068	0.2
471.34631	0.2
477.26645	0.4
507.31375	0.5
521.25702	5.5
522.26123	0.6
535.27264	0.3
551.30438	100.0
552.30774	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	551.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62840	0.5
53.97752	0.5
54.80597	0.5
58.65279	0.6
59.01373	14.9
61.98818	0.8
71.01368	2.2
71.21486	1.2
73.02940	1.1
84.57785	0.6
85.02945	1.0
89.02439	2.3
99.00863	0.7
101.02428	2.8
113.02444	1.6
119.03486	1.2
125.02489	0.7
161.04562	1.2
191.05563	1.2
235.08197	2.8
253.09262	12.4
255.23259	100.0
256.23529	5.5
491.32355	1.1
551.32983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44140	1.1
59.01366	3.9
59.62195	1.2
61.88857	1.2
61.98828	14.1
64.45931	1.2
69.84428	6.2
77.95515	1.3
78.95900	7.7
100.80141	1.3
152.99554	1.9
168.04306	1.5
242.07877	3.1
277.21701	100.0
278.21976	5.4
383.94833	1.3
448.97379	1.2
489.20462	1.6
502.29431	45.4
503.29663	4.8
570.62292	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.0
61.98830	8.5
62.51875	1.1
69.38678	7.4
78.95903	29.4
97.52119	0.9
152.99548	3.7
168.04318	4.8
224.06909	12.4
233.22702	1.5
242.07935	3.1
253.21660	6.9
277.21689	100.0
278.22015	6.6
357.02780	1.1
478.29797	1.7
502.29388	96.9
503.29504	8.0
536.53522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30434	1.0
57.17735	1.4
58.00587	2.0
59.01376	70.5
61.98808	3.6
70.07008	1.1
70.41738	1.0
71.01379	39.5
72.99297	3.3
73.02934	3.7
83.01398	2.4
85.02955	9.0
87.00891	5.6
89.02439	45.8
93.03452	1.2
95.01393	3.7
96.95972	2.0
98.19900	4.0
99.00809	1.3
101.02435	25.0
105.12166	1.1
113.02457	17.2
116.92867	9.0
117.01887	1.2
119.03486	20.7
131.03555	2.6
135.04489	1.2
136.81412	1.3
137.02428	1.5
139.04004	1.2
143.03523	2.8
145.02980	2.9
149.04558	1.6
150.03169	2.2
161.02414	1.4
161.04561	5.1
165.05582	2.4
179.05605	11.9
180.05824	1.2
191.05646	2.6
193.05002	2.1
195.06697	1.5
331.17667	1.7
493.22897	100.0
494.23346	8.3
553.12347	1.6
553.80017	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.4
59.46628	0.5
61.01127	0.6
61.98827	100.0
69.03452	6.3
70.19701	1.9
71.01396	1.5
75.79195	0.5
79.01893	3.3
85.02922	0.7
95.01398	1.4
96.95988	3.1
97.02950	3.5
101.02445	1.1
107.01376	8.5
108.02163	12.6
111.82879	0.6
119.03406	0.7
123.00866	1.6
125.02429	6.0
135.00880	32.1
136.01117	0.6
139.53864	0.5
151.00331	0.7
152.01144	45.1
153.01498	1.4
167.45697	0.6
243.06595	78.9
244.06905	4.0
248.98425	0.6
250.80190	0.6
285.07617	1.0
294.47336	0.6
387.10818	2.2
400.68381	0.6
447.12714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17229	0.5
59.01376	3.6
61.98826	100.0
62.72491	0.4
66.79205	0.5
71.01367	1.2
71.53561	0.7
73.02968	0.5
75.68816	0.5
91.01891	5.5
93.03481	0.9
95.01427	0.5
96.96014	0.7
108.01463	0.9
108.02158	7.8
108.02808	0.6
109.02981	1.8
113.02496	0.5
120.23146	0.5
123.00815	2.5
133.02917	0.5
135.00868	6.6
135.04524	0.6
137.02440	4.0
138.40244	0.5
145.02998	0.5
148.90990	0.6
152.01158	7.4
161.02481	0.6
197.06187	0.6
243.06590	53.4
244.06953	2.8
333.20789	0.8
387.10831	0.9
447.12943	10.2
448.13461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
60.99307	0.2
61.98826	100.0
62.98534	0.2
66.94561	0.1
69.26669	1.0
71.01406	0.1
77.77864	0.1
88.98814	0.6
99.91483	0.1
101.02474	0.1
108.02152	0.3
113.40551	0.1
125.05273	0.1
139.17661	0.1
160.01640	0.2
165.05582	0.1
175.03992	0.3
185.11838	0.2
186.12160	0.1
191.05653	0.1
234.43347	0.1
358.35739	0.1
491.15747	0.3
546.16748	0.2
555.21179	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	554.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12061	0.3
59.01371	2.0
61.55444	0.3
61.98826	100.0
71.01384	0.7
84.25587	0.3
85.02978	0.4
87.00890	0.8
89.02441	0.8
96.96028	0.3
101.02435	1.9
103.04027	0.7
108.02188	0.4
119.03443	0.5
123.04507	3.2
136.01689	0.5
139.04114	0.4
149.02501	0.4
150.03247	1.4
151.04008	11.4
152.04428	0.4
163.06111	2.8
325.11569	1.4
406.87949	0.3
459.15033	9.8
459.21021	0.7
460.15927	0.9
491.17795	4.2
492.18176	0.4
534.48401	0.4
554.18475	0.3
555.13599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00347	0.2
59.01377	1.4
61.41868	0.2
61.98825	100.0
62.92986	0.2
71.01390	0.5
93.03428	0.3
96.96022	1.3
98.20655	0.7
109.02908	0.2
109.20269	0.2
116.92884	0.5
119.05018	1.6
121.02974	1.1
122.03801	0.4
123.00935	0.2
133.02925	0.2
135.04526	0.9
136.01643	0.5
136.04897	0.2
137.02440	0.6
146.17995	0.2
149.02437	2.4
150.03233	2.6
151.03607	1.0
156.00668	0.2
161.02429	0.3
163.04007	4.2
164.04674	0.6
165.05553	3.1
166.05913	1.1
175.03990	0.4
177.05521	0.2
179.03535	0.2
180.66597	0.2
182.19844	0.2
189.05643	0.2
190.06352	0.5
191.06703	0.2
195.06557	1.4
196.06970	0.8
202.36125	0.2
211.27179	0.2
229.48347	0.2
271.09726	0.2
286.08026	0.2
358.13843	0.4
461.15216	0.2
475.32968	0.2
476.18396	0.4
488.17789	0.2
490.16336	0.2
491.19174	0.9
492.19583	0.2
505.18762	0.5
506.18936	7.9
506.26175	0.4
507.19354	0.5
533.97070	0.2
555.28156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14635	1.0
59.01370	4.2
61.98537	1.8
61.98829	23.7
67.93912	0.9
71.01354	2.5
79.95730	2.9
80.05036	1.3
83.01377	14.0
85.02952	1.2
94.06615	3.4
96.96009	92.9
97.95912	1.2
98.95571	4.4
99.92572	5.8
100.93305	1.0
107.03756	8.7
115.92068	7.0
116.92860	30.4
120.04558	1.6
121.02964	1.4
122.03757	1.9
122.06118	54.5
132.04515	2.0
134.06073	2.3
135.04555	1.6
137.06099	2.6
139.02756	2.7
139.03906	1.3
140.92870	0.9
141.93666	1.0
142.94374	1.4
147.04494	1.3
150.05608	1.2
152.07164	100.0
153.07463	3.1
161.02457	1.4
190.05048	3.1
192.06625	3.1
195.06787	1.2
197.17790	1.0
209.08185	1.4
213.10226	5.3
222.07964	2.2
224.05971	1.4
225.06674	2.2
225.10236	1.3
237.06624	2.5
237.10324	20.3
238.07268	2.2
239.08162	1.1
250.07336	1.0
251.08203	4.0
252.05295	1.2
253.09828	6.0
254.10324	1.1
263.08279	1.5
265.06058	7.8
265.09808	3.0
266.06943	11.4
278.06915	3.9
279.07654	3.4
280.08484	4.2
281.09305	57.8
282.09610	3.1
293.09299	29.2
294.09814	2.8
313.11823	10.7
325.11816	1.6
341.11536	1.3
342.11084	1.5
355.12964	2.9
357.13416	54.6
402.18182	8.9
418.17575	3.0
446.17206	36.4
447.17490	2.2
451.10626	1.8
478.19824	64.3
479.20084	4.7
490.16269	15.6
491.16272	1.4
510.22424	16.7
511.12405	2.1
518.18860	1.4
519.18738	1.7
522.18793	81.9
523.19019	7.5
554.21259	24.0
555.11804	9.6
555.24756	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	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41405	0.8
61.98826	5.8
70.99348	1.4
78.95899	22.3
80.96511	2.5
92.63346	0.8
98.17353	0.6
152.99574	2.6
168.04257	3.4
224.06927	8.5
225.00764	0.9
242.08011	1.9
279.23260	100.0
280.23587	6.0
378.66678	0.7
380.47006	0.7
471.34744	2.8
472.35117	12.7
504.30914	81.2
505.31238	6.1
514.41003	0.7
554.26990	2.6
554.35437	10.1
555.35791	1.0
578.90796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	21.2
61.98825	1.1
68.30061	0.2
78.95898	18.1
80.96507	0.4
90.80191	0.2
95.09512	0.2
122.98521	0.3
124.61325	0.3
152.99582	2.8
160.91170	0.2
168.04295	2.9
218.37302	0.2
224.06900	7.0
237.21977	0.3
242.08012	1.3
255.23257	100.0
256.23578	3.8
383.59006	0.2
391.22214	0.3
437.67087	0.2
438.25418	0.2
480.30899	70.6
481.31259	5.8
554.27216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.4
65.03947	70.3
69.03461	16.7
69.38995	53.7
71.01369	19.9
73.02922	11.9
85.02942	12.4
96.96012	17.6
101.02437	12.5
119.05046	13.2
121.06599	39.6
136.01694	12.6
139.04028	100.0
165.05582	45.4
183.06587	52.7
183.10294	21.4
189.63506	11.0
209.04489	37.6
212.21855	9.7
345.11847	16.7
511.21774	51.4
548.39270	11.0
555.20642	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	555.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03430	1.2
59.01379	4.6
61.91702	0.7
62.04638	0.7
64.03153	0.7
65.03961	22.8
68.99809	1.8
69.03455	8.4
69.72298	3.4
71.01378	6.1
71.04990	0.7
73.02938	2.2
82.15518	0.7
83.01383	27.5
85.02941	2.3
87.00873	1.0
93.03458	4.7
93.07102	0.7
95.05032	2.7
96.96004	16.6
99.00877	1.7
101.02440	3.5
103.05550	0.8
106.04228	1.4
107.05035	1.4
109.06587	1.1
111.08160	0.7
113.02450	2.3
119.05003	3.0
120.69782	0.7
121.02950	2.9
121.05714	1.0
121.06580	14.9
122.03717	4.9
123.04501	2.6
127.07613	1.1
136.05299	1.2
137.06049	6.5
139.04007	40.1
139.11267	3.5
147.04507	2.6
155.07123	0.8
161.04582	1.6
161.05956	1.3
165.05551	18.3
183.06618	22.8
183.10211	10.8
197.11771	1.0
207.06577	1.1
209.04533	19.9
209.08238	1.0
221.08139	3.3
223.14844	0.7
225.11288	2.1
227.05586	1.7
301.13065	0.8
303.01596	0.7
313.14349	1.2
327.10754	4.3
342.10956	4.4
345.11877	16.6
346.12354	1.3
357.13397	100.0
358.13666	7.2
371.09869	1.8
389.10797	6.9
447.62161	0.7
505.96338	0.7
511.21780	23.7
512.22137	2.5
519.18585	4.2
555.20123	21.5
556.21143	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53985	1.9
56.44257	2.3
57.03445	3.1
59.01377	100.0
61.98829	38.5
65.03957	6.3
65.68501	2.0
68.07034	2.1
69.03454	3.6
71.01379	38.5
71.34309	2.2
72.28107	2.2
72.99319	2.5
73.02946	48.3
75.00883	4.2
79.63449	2.2
83.01373	13.1
85.02957	10.1
87.00879	2.4
88.98795	2.9
89.02460	14.0
96.96007	70.0
99.04528	2.6
101.02432	49.9
108.02180	3.0
113.02442	22.2
113.99566	2.9
116.92854	6.4
119.03473	6.5
121.06603	3.2
131.03511	3.3
133.02922	3.0
135.04514	3.2
137.06186	2.5
139.04033	13.3
143.03554	4.0
145.18289	2.1
147.04579	3.5
149.02512	4.2
149.04573	5.5
150.03174	13.9
161.02412	4.5
161.04550	13.6
161.05699	2.2
165.05550	19.0
166.05920	2.7
179.03452	2.7
183.06616	4.9
183.10243	2.7
195.06580	5.3
201.05551	2.5
202.06398	3.1
209.04512	3.1
221.06610	4.1
229.08771	2.8
230.09369	2.4
242.99315	2.1
277.18091	7.1
289.18219	2.5
307.19119	4.1
345.11884	4.5
357.13461	2.6
359.14572	3.6
372.14148	6.2
451.23279	3.8
469.24258	3.2
475.15811	3.1
478.75107	2.4
483.93372	2.7
507.19470	6.0
511.25238	7.8
519.15387	3.8
555.16602	3.4
555.24695	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
60.99304	14.8
61.98835	3.2
65.29582	0.4
71.01381	0.6
71.35938	0.5
71.52023	0.7
88.98801	100.0
89.02447	1.0
89.99145	0.6
96.87500	0.4
101.02460	0.6
101.72517	0.5
113.02476	0.7
125.96272	0.4
127.03639	0.5
133.02983	0.6
135.04536	0.6
145.02930	1.3
150.03160	0.8
161.02428	1.4
163.03979	0.6
165.05569	1.7
195.06638	0.6
202.06427	0.5
209.14000	0.6
228.04062	0.5
260.80945	0.4
281.53342	0.5
292.50604	0.6
318.72766	0.5
360.08606	0.5
428.12515	0.6
457.12518	0.5
465.17700	0.6
555.20831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61779	0.2
54.75739	0.2
59.01373	0.6
60.99301	14.5
61.98827	19.4
62.98515	0.4
65.82776	0.2
69.71102	1.3
71.01373	0.3
81.57556	0.2
88.98798	100.0
89.99142	0.6
96.96017	0.3
101.02433	0.4
108.02145	0.3
145.02940	1.1
150.03221	0.9
150.55418	0.3
156.00613	0.3
161.02393	0.5
165.05568	0.9
245.23140	0.2
365.45187	0.3
368.59088	0.3
465.17648	0.7
507.20236	0.3
555.21387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
57.03468	2.2
59.01381	6.6
65.03959	30.2
68.99821	3.1
69.03445	10.9
69.22223	5.4
69.22648	5.4
70.79279	1.1
71.01378	6.7
73.02947	2.0
74.48897	1.2
83.01379	28.0
85.02959	3.3
89.02451	1.4
92.05673	1.1
93.03447	6.6
95.05033	3.6
96.96010	13.5
99.00887	1.7
101.02445	4.4
103.05462	1.1
106.04234	1.7
113.02466	5.1
118.35365	1.0
119.05030	3.4
121.02979	2.5
121.06592	18.3
122.03738	3.5
123.04530	2.8
127.07681	1.3
136.05293	1.5
137.06085	7.5
139.02917	2.6
139.04002	54.0
139.11301	5.1
140.04359	2.3
147.04495	3.2
155.07133	1.7
161.04604	2.2
161.05963	1.2
165.05550	28.6
176.07574	1.2
182.82231	1.1
183.06612	29.0
183.10204	14.0
201.83592	1.0
209.04517	26.7
221.08156	1.7
225.11334	2.4
227.05537	1.5
247.21786	1.1
327.10873	4.6
342.11230	4.1
345.11902	16.1
357.13385	100.0
358.13773	7.2
371.09891	2.5
389.10959	7.8
511.21796	26.7
512.22174	2.0
519.18835	4.4
549.73260	1.2
555.20349	30.5
556.21014	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	555.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.98594	0.1
61.98830	1.8
65.03960	0.5
69.03438	0.4
69.46078	1.1
71.01362	0.8
73.02955	0.5
79.95730	3.4
83.01366	0.2
85.02935	0.2
88.89691	0.2
88.98806	0.2
89.02444	0.5
96.96004	100.0
97.95964	0.3
101.02448	0.5
113.02448	0.4
114.02598	0.2
114.93398	0.4
116.92854	1.1
121.06594	0.3
133.02919	0.3
134.03737	0.4
135.04535	1.6
139.04042	0.7
151.03981	0.3
154.43506	0.2
160.01624	0.2
161.02423	1.0
163.03899	0.1
165.05563	0.4
175.04044	0.4
179.03471	0.5
183.06583	0.5
183.10265	0.2
193.04886	0.3
209.04456	0.4
214.10167	0.1
253.14371	0.3
303.19580	0.2
337.09286	0.3
345.11899	0.2
357.13272	0.3
389.10876	0.2
473.14511	0.3
495.25787	0.4
511.21945	0.5
555.24768	40.9
556.25128	3.5
581.04297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2777
Annotation	Artocommunol CB
Peak:m/z	Relative Intensity
61.98820	7.2
71.51216	1.2
71.52571	0.7
90.80818	0.7
99.92580	13.7
100.93366	5.3
115.92072	100.0
116.92063	4.0
116.92866	3.9
171.98453	0.7
189.69661	0.7
201.07385	0.7
204.27972	0.7
218.80215	0.7
236.80397	0.9
242.45845	0.7
246.98001	0.9
277.21658	2.0
455.35956	1.0
468.73022	0.8
537.10602	0.9
555.27777	88.0
556.27936	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	555.2793
Annotation	ciguatoxin IJKLM cyclic acetal
Peak:m/z	Relative Intensity
56.20173	0.3
61.98829	2.2
70.33775	0.7
71.01387	0.9
78.98588	0.9
79.95718	1.6
80.96024	0.5
80.96510	10.9
85.02962	0.3
87.00857	0.4
94.98087	2.7
99.92580	20.9
100.92641	0.7
100.93366	3.1
106.98077	0.4
113.92578	0.3
115.92070	47.6
116.92068	1.8
116.92862	2.1
122.97569	0.4
125.02466	0.4
132.92380	0.5
134.97569	0.9
148.99144	0.7
152.98619	0.8
164.98637	1.8
225.00737	3.0
255.23346	0.4
299.04614	0.5
402.86807	0.3
455.35336	1.1
537.26770	1.2
540.25177	0.7
555.27875	100.0
556.28174	12.8
569.25879	3.4
570.26007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2838
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
51.33726	0.4
59.01373	0.6
63.96229	1.4
69.03432	0.4
69.42579	2.7
71.01376	4.8
73.02941	1.2
78.98588	4.4
79.95728	8.3
80.31869	0.3
80.96511	51.1
81.03451	0.7
85.02930	2.1
87.00872	1.6
94.98080	13.5
94.98692	0.8
96.96011	0.9
97.02941	1.3
97.14420	0.4
98.20674	0.6
99.00837	0.4
101.02428	1.6
106.98072	2.8
114.95396	0.4
122.97598	2.2
125.02441	1.9
127.04015	0.6
134.97554	3.2
135.63763	0.4
136.99144	1.3
148.99133	4.4
152.98640	4.1
159.54532	0.4
164.98613	8.6
168.43317	0.4
188.98642	0.4
206.99644	1.7
212.81432	0.4
225.00708	14.0
228.63722	0.4
255.23181	2.4
299.04382	3.5
325.48184	0.3
405.97906	0.4
555.28363	100.0
556.28705	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	555.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
57.03444	1.0
59.01373	1.1
61.98826	2.7
69.03445	0.8
71.01372	1.9
71.05029	3.2
75.29066	0.3
82.27249	0.3
83.05022	0.5
95.05035	0.8
97.02943	2.4
97.06586	1.7
98.20695	0.9
99.00877	14.8
100.01672	0.7
109.06570	1.1
123.08178	1.3
125.09722	8.1
127.11268	1.2
135.08194	0.4
136.05310	0.4
136.80334	0.3
142.02748	0.7
153.12773	0.7
155.14372	0.4
163.11278	7.6
179.10736	0.4
181.12329	13.7
182.12700	0.5
197.11803	1.0
199.13382	30.2
200.13750	0.9
207.10245	21.3
225.11307	48.4
226.11754	1.7
229.27065	0.4
237.22281	0.6
243.12346	11.8
244.12910	0.4
255.23270	70.2
256.23624	3.5
299.15018	4.0
317.16046	12.6
318.16251	0.5
378.88177	0.4
430.75461	0.4
497.36273	0.9
509.95459	0.4
513.60236	0.4
555.38965	100.0
556.30829	0.6
556.39349	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	556.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.5
61.98826	20.9
65.03962	2.0
68.99809	0.6
70.39766	0.7
71.01376	2.3
82.90452	0.6
83.01385	0.6
85.02957	0.7
87.00894	1.4
89.02441	1.5
93.03404	0.9
95.06263	0.6
98.19867	1.5
101.02422	1.3
102.97038	0.6
105.03487	0.9
109.02941	1.4
112.04022	1.0
113.02404	0.8
121.02927	1.1
121.06582	1.8
123.04517	4.8
132.02171	1.3
133.02951	26.4
134.03668	1.3
135.04510	19.7
137.02490	0.7
139.04024	5.2
149.02400	1.0
149.06001	0.8
150.03218	7.1
151.04012	10.8
161.02432	100.0
162.02792	1.5
165.05592	1.3
166.05078	2.1
175.03990	1.3
177.05562	3.1
178.02618	0.8
179.03493	18.4
180.03801	0.8
183.06599	2.1
184.06082	0.7
203.03477	5.8
209.04546	1.7
221.04614	1.3
281.06738	1.1
323.07819	1.5
341.08566	3.6
345.11893	2.1
383.09805	2.9
389.10931	2.1
414.99179	0.7
437.57474	0.6
454.08246	1.6
475.12393	20.5
475.19116	1.2
476.12769	1.7
493.13495	73.0
494.13849	5.2
523.75287	0.7
556.17114	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98710	0.2
59.01375	5.6
61.98825	100.0
62.98519	0.2
65.56666	0.2
68.99571	2.5
69.03429	0.3
71.01384	1.5
73.02917	1.2
74.80367	0.2
83.01387	0.4
85.02977	0.5
87.00889	0.6
88.98827	0.3
89.02455	0.8
96.27894	0.3
96.95998	3.6
99.92567	0.3
101.02451	1.1
103.04017	0.4
112.98562	2.9
113.02473	0.5
115.92101	0.4
115.93345	0.3
116.92843	2.0
119.03539	0.4
119.05035	1.3
125.02505	0.2
131.03482	0.4
143.03474	0.5
145.05159	0.2
148.02512	0.3
159.04558	0.3
163.04019	2.4
163.06125	1.0
165.05577	0.2
178.28470	0.2
187.07677	0.4
201.05550	1.1
201.09264	0.3
203.07152	0.4
205.07193	0.7
226.13295	0.2
229.08717	0.8
229.48366	0.2
230.09462	1.9
231.09998	0.3
261.59845	0.2
358.13724	0.3
493.14941	0.6
493.21292	0.4
493.30341	0.9
508.19577	0.4
521.51514	0.3
556.20148	0.7
557.13055	0.5
557.21185	0.6
557.29413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.3
61.98825	100.0
65.10313	0.5
71.01383	0.5
73.02914	0.4
73.62324	0.4
79.64119	0.5
93.03400	0.5
98.19860	0.9
150.92033	0.5
161.02501	1.0
179.10870	0.4
197.11804	2.4
209.11832	1.8
229.42723	0.4
315.14505	0.7
496.26416	0.6
525.26892	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	556.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
65.95161	0.6
69.87537	0.6
70.46124	0.6
71.51923	0.8
71.52365	0.9
77.49516	0.6
79.36967	0.6
81.27177	0.7
123.76942	0.6
124.73605	0.6
144.30753	0.6
253.32899	0.6
284.62091	0.6
471.34702	10.0
472.34976	0.9
487.74149	0.8
556.32483	68.9
557.32996	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	556.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.63991	1.3
141.55301	0.6
165.49236	0.6
220.44379	0.6
305.55377	0.6
306.98746	0.6
471.34796	12.4
472.35052	0.9
474.35709	1.0
556.32471	72.2
557.32843	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	556.325
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55970	0.4
61.98827	100.0
70.69380	0.4
71.21791	0.9
112.88933	0.4
140.26578	0.5
148.77295	0.4
154.71046	0.4
215.00204	0.4
232.98663	0.5
266.81006	0.5
328.71381	0.4
405.73114	0.5
471.34692	10.3
472.34998	1.5
492.33231	0.4
492.81055	0.4
556.32501	64.5
557.32831	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	557.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.7
59.01375	8.9
61.98828	3.3
65.03955	5.5
67.01894	1.4
68.99818	1.0
69.03454	100.0
70.03794	1.8
71.01384	5.4
72.99320	1.5
73.02959	2.9
79.01897	6.3
79.95735	3.4
83.01388	15.9
85.02933	5.1
87.00863	1.2
87.04514	1.1
88.93181	0.9
88.98825	0.9
89.02458	1.9
93.03416	1.3
95.01405	3.6
96.96009	98.8
97.02950	19.3
98.03320	1.0
98.20779	1.6
99.00871	26.5
101.02435	4.6
113.02471	3.0
116.92863	1.2
119.05077	1.0
121.02984	3.3
121.06607	2.8
122.03770	3.8
122.06993	1.1
123.00887	1.2
123.04523	1.9
125.02465	1.2
133.02928	1.0
134.03770	3.3
137.06142	4.0
139.04028	5.7
140.04408	2.5
141.01938	13.2
143.03531	1.9
145.05173	0.9
147.04509	2.2
149.02493	1.9
150.03242	7.2
161.04713	0.9
161.06136	1.6
163.04048	1.5
163.06117	4.8
165.05563	9.5
166.05920	1.7
183.06712	2.0
184.07001	0.9
185.00903	61.4
186.01244	1.4
195.06703	2.2
205.07207	1.3
209.04546	1.5
210.04991	1.1
221.08267	2.3
267.06702	1.1
313.14590	1.2
342.10910	2.0
346.12616	1.1
357.13403	66.4
358.13815	7.4
359.14087	7.0
361.16519	4.8
460.15778	4.3
509.21707	7.8
513.22845	2.9
519.19141	3.2
521.21973	1.7
557.12836	2.1
557.26703	51.6
558.26807	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	557.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.8
58.00572	0.9
59.01380	21.6
61.98826	100.0
62.99272	1.0
63.99247	3.5
65.03963	1.8
69.03447	1.5
69.28516	2.9
69.28936	3.4
71.01378	15.2
72.99301	3.3
73.02940	12.1
85.02950	5.8
86.00092	1.3
87.00884	6.1
87.04520	1.8
88.98816	3.7
89.02434	7.2
93.03452	0.8
94.98116	0.9
96.64832	0.7
97.02952	0.9
99.00886	1.4
99.04491	1.4
101.02440	12.0
103.04005	3.5
107.04994	1.3
108.02168	42.3
113.02446	4.1
115.04012	4.5
117.47467	0.9
119.03482	2.1
121.02972	1.9
121.06593	2.0
123.04559	0.9
125.02446	7.3
131.03499	6.3
133.03023	1.1
134.03705	5.3
135.04536	5.5
139.04028	4.5
143.03499	8.0
145.02992	1.5
145.05064	1.3
147.04538	1.1
149.02434	5.4
161.02461	2.1
161.04536	0.9
162.03189	1.1
163.04010	1.6
163.06113	6.6
164.04796	6.1
164.80402	0.8
165.05551	3.5
175.00348	8.6
176.01131	0.9
179.07170	2.3
183.06686	2.8
185.08170	2.6
187.02477	2.8
190.02687	25.7
190.04367	1.3
191.03429	3.3
203.10786	7.5
205.05077	34.4
205.07144	6.9
206.05670	2.8
209.04572	2.3
221.08174	3.3
223.06116	11.4
231.10301	3.9
250.04776	0.9
265.07086	15.9
295.08279	3.7
325.09213	5.1
335.20459	1.1
345.11996	1.3
359.15045	1.4
389.10898	1.1
411.78693	0.8
460.15866	5.7
497.26273	2.4
513.19946	2.0
521.16602	49.7
522.16986	4.3
529.22699	1.4
557.22437	59.7
558.22833	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	557.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80660	1.4
59.01375	39.9
61.98824	17.3
63.18237	1.2
69.37115	6.3
69.37540	3.9
71.01379	20.4
72.99300	4.0
73.02939	20.4
75.00816	1.2
76.56936	1.2
82.48739	1.3
85.02949	8.6
86.00087	1.7
87.00871	13.0
87.04504	3.6
88.98816	3.7
89.02444	16.9
92.06206	1.2
96.96013	8.6
97.02959	1.4
98.63090	1.1
99.00874	1.8
101.02435	18.1
103.04005	6.1
113.02437	5.5
115.04008	8.4
116.92843	3.6
119.03487	6.7
121.02958	2.0
125.02396	3.7
131.03491	13.6
133.02953	1.9
134.03748	11.3
135.04497	4.8
143.03491	15.7
145.02966	3.6
145.05023	2.1
148.05234	1.4
149.02411	2.0
150.03186	2.1
151.04146	1.3
161.02469	8.7
161.04517	3.1
163.06114	14.7
165.05470	2.7
179.03479	2.8
179.05554	3.8
203.10777	10.5
205.07144	10.9
231.10225	3.9
244.65657	1.2
265.09280	2.8
283.09674	2.4
309.07474	1.8
311.09210	3.0
325.10986	1.4
326.11566	3.6
339.12436	5.5
341.13919	6.4
343.32956	1.3
460.15872	12.5
508.80106	1.5
521.16156	2.5
529.22974	3.1
529.99329	1.4
557.22339	100.0
558.22864	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	557.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
56.00167	0.6
58.00598	0.8
59.01373	9.7
60.78090	0.6
65.03958	62.1
66.04307	1.1
67.01895	0.8
68.99809	3.6
69.03448	15.8
71.01374	15.4
72.99316	0.8
73.02940	3.7
79.95777	1.0
80.02689	0.7
81.03481	1.8
83.01404	2.4
85.02945	5.6
87.00871	0.9
89.02435	4.3
91.05589	1.0
93.03448	10.1
95.01376	1.5
95.05007	6.4
96.96004	36.7
97.02941	0.8
99.00880	3.3
101.02435	7.5
103.05537	1.6
106.04240	3.9
107.05035	1.7
109.02940	0.9
109.06573	1.4
111.00871	0.9
113.02467	6.0
115.92026	1.0
116.92848	4.2
119.03518	0.9
119.05016	5.0
121.02975	1.0
121.06582	36.1
122.06978	0.7
135.04541	0.7
135.11795	0.8
137.06065	2.0
139.03999	100.0
139.11296	1.1
140.04358	1.9
141.12842	1.4
147.04498	1.8
159.02983	0.9
161.04518	2.4
163.07611	2.2
165.05548	48.8
166.05847	1.5
171.13889	3.8
175.11938	0.7
179.07005	0.8
181.05048	1.0
183.06601	46.7
184.06877	1.3
185.11806	42.8
186.12189	1.7
199.13374	8.9
205.89580	0.6
207.06549	2.1
209.04527	55.7
209.11848	1.4
210.04800	2.1
225.07541	1.2
227.05600	4.6
227.12840	6.7
301.12698	2.5
301.52533	0.7
327.10825	7.3
345.11841	25.5
346.11908	1.3
371.09442	2.7
389.10803	11.9
446.33121	0.6
490.29077	0.6
513.23352	52.0
514.23755	5.3
557.21722	68.6
558.22180	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	557.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
57.22020	0.5
57.48886	0.5
58.00578	0.9
59.01374	14.9
61.98822	1.1
62.35248	0.5
69.03463	1.3
70.94152	0.8
70.94501	0.6
71.01377	10.4
72.99297	1.3
73.02940	11.3
74.20126	0.4
78.56388	0.4
85.02946	4.0
86.00092	1.9
87.00872	8.2
87.04511	3.7
89.02454	3.7
97.02988	0.6
99.00877	0.6
101.02441	6.6
103.04013	2.4
113.02428	1.6
115.04002	5.7
119.03482	1.2
125.02454	0.6
131.03490	7.5
133.02934	0.4
134.03755	0.7
143.03496	9.0
145.05057	1.2
146.03735	0.7
159.04503	1.7
163.06134	1.7
172.05344	1.2
173.06062	3.3
174.03198	0.5
187.04044	2.4
187.07620	14.8
188.07884	0.6
190.58212	0.4
201.05600	3.2
202.06334	22.9
203.06778	1.2
203.10802	1.0
205.07153	5.1
205.26100	0.4
213.09288	0.9
216.07835	1.3
219.10246	0.6
220.07404	0.6
231.10228	14.7
249.11357	0.9
274.25357	0.4
285.04385	0.5
323.96011	0.5
328.17239	0.5
411.16159	0.8
436.64020	0.4
528.18610	0.6
557.22339	100.0
558.22607	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	557.2244
Annotation	Yadanziolide U
Peak:m/z	Relative Intensity
58.00581	1.5
59.01374	25.0
61.98827	5.9
69.03446	0.9
69.51393	1.9
69.51803	4.1
69.81610	0.7
71.01376	15.3
72.99292	2.2
73.02941	15.5
83.01369	1.7
85.02946	7.4
86.00092	2.2
87.00865	10.8
87.04514	4.4
88.98800	1.2
89.02441	9.7
92.73158	0.8
96.96013	2.0
101.02445	13.4
103.04012	4.5
113.02487	4.2
115.04018	7.5
119.03527	1.9
124.43400	0.7
125.02390	2.0
131.03493	8.1
134.03722	2.8
135.04477	0.9
143.03496	12.1
145.02824	0.9
145.05025	1.8
148.05272	2.2
151.03984	1.4
161.02426	1.0
162.29309	0.8
163.06104	6.5
186.17824	0.8
199.40077	0.9
203.10791	11.7
205.07164	5.8
213.09096	1.1
231.10292	5.1
255.13306	0.8
311.08966	0.8
341.14020	1.1
357.13019	0.9
431.47571	0.9
441.46191	0.9
460.15863	4.1
529.22565	4.5
557.22321	100.0
558.22668	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	557.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19615	0.2
55.01850	0.3
58.00578	0.2
59.01114	0.3
59.01378	3.7
61.98807	0.4
65.03958	10.9
68.99811	0.8
69.03448	3.6
69.42390	0.5
69.42798	0.9
71.01370	4.4
72.99316	0.3
73.02937	1.0
79.68976	0.2
79.95731	3.0
83.01385	0.6
85.02951	2.5
87.00850	0.7
87.74676	0.2
89.02435	1.0
93.03442	1.9
95.01365	0.6
95.05048	1.2
96.96004	100.0
97.02907	0.3
98.95599	1.3
99.00888	0.9
99.92574	1.5
100.93398	0.2
101.02425	2.2
103.04060	0.2
103.05553	0.2
106.04249	0.7
107.05058	0.2
111.00894	0.3
113.02435	3.5
115.92062	2.4
116.92850	10.2
117.92870	0.4
119.03517	0.5
119.05029	1.0
121.06586	6.7
121.07419	0.4
125.02402	0.3
134.03735	0.5
137.06134	0.3
139.04007	16.5
140.04364	0.6
141.12866	0.5
143.03523	0.4
147.04533	0.5
149.06094	0.2
159.03018	0.3
161.04625	0.4
163.07687	0.5
165.05551	8.6
166.05928	0.4
171.13939	0.6
183.06606	8.1
184.06973	0.5
184.91862	0.3
185.00851	0.2
185.11810	6.8
186.12329	0.3
187.07713	0.7
199.13370	1.4
201.05687	0.3
202.06421	0.9
209.04530	8.4
209.11942	0.4
210.04889	0.4
227.05733	0.8
227.12848	1.1
231.10242	1.1
301.12994	0.4
327.10776	1.0
345.11887	3.7
345.15567	0.3
371.10056	0.5
377.20407	0.2
389.10989	1.9
430.99161	0.2
453.12268	0.2
495.14490	0.2
513.15497	0.5
513.23328	7.7
514.24512	0.7
557.13293	1.7
557.26910	46.4
558.14117	0.6
558.27515	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	557.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83757	0.2
53.78421	0.2
56.55734	0.2
59.01371	1.9
61.98822	0.4
71.01385	0.8
73.02946	0.6
79.95734	3.0
85.02931	0.2
87.00841	0.2
89.02444	0.5
96.96008	100.0
98.20656	0.5
101.02419	0.9
103.04015	0.3
113.02435	0.2
114.93368	0.2
115.92078	0.3
116.92856	0.5
119.03467	0.2
130.13217	0.2
131.03497	0.2
134.03734	0.6
135.04568	0.3
139.03995	0.3
161.02441	0.9
163.06110	1.3
183.06624	0.2
203.03563	0.2
205.07248	0.2
229.32668	0.2
229.34682	0.2
237.35251	0.2
254.77290	0.2
386.56671	0.2
435.43027	0.2
460.15683	1.0
540.62592	0.2
541.12463	0.4
557.26337	44.5
558.26599	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	557.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83757	0.2
53.78421	0.2
56.55734	0.2
59.01371	1.9
61.98822	0.4
71.01385	0.8
73.02946	0.6
79.95734	3.0
85.02931	0.2
87.00841	0.2
89.02444	0.5
96.96008	100.0
98.20656	0.5
101.02419	0.9
103.04015	0.3
113.02435	0.2
114.93368	0.2
115.92078	0.3
116.92856	0.5
119.03467	0.2
130.13217	0.2
131.03497	0.2
134.03734	0.6
135.04568	0.3
139.03995	0.3
161.02441	0.9
163.06110	1.3
183.06624	0.2
203.03563	0.2
205.07248	0.2
229.32668	0.2
229.34682	0.2
237.35251	0.2
254.77290	0.2
386.56671	0.2
435.43027	0.2
460.15683	1.0
540.62592	0.2
541.12463	0.4
557.26337	44.5
558.26599	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	557.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74943	0.1
59.01370	0.3
61.98825	100.0
69.26218	0.3
69.26646	0.5
78.95908	0.4
88.45326	0.1
99.92608	0.1
102.78896	0.1
116.92883	0.3
124.95549	0.1
140.34758	0.1
152.99532	0.2
160.91423	0.1
176.77774	0.1
198.26076	0.1
233.17856	0.1
255.23270	1.9
256.23666	0.7
257.24017	0.3
258.24261	0.2
304.39499	0.1
480.30948	1.2
481.31561	0.2
482.31497	0.2
483.31818	0.5
557.31915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.2
57.03453	0.3
59.01377	100.0
59.93360	0.2
60.01701	0.7
61.98831	2.0
69.03467	0.2
71.01379	2.5
71.51964	0.2
71.52370	0.2
72.99284	0.2
73.02946	1.0
83.01377	1.0
85.02953	1.3
86.00094	0.2
87.00891	0.2
88.55360	0.1
88.98834	0.2
89.02457	0.2
95.01401	0.2
99.00870	0.3
101.02428	1.5
113.02464	0.8
114.21145	0.2
120.69281	0.1
129.01921	0.2
133.02936	0.2
136.36887	0.2
143.03555	0.3
161.02472	0.6
209.11678	0.2
213.18596	0.5
225.18552	0.2
254.63907	0.2
353.27078	0.7
467.30118	0.2
497.31140	10.4
498.31787	0.6
515.32227	5.5
516.32538	0.3
557.24091	0.4
557.32928	2.3
558.33875	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45442	0.1
59.01372	0.3
61.52651	0.1
61.98827	100.0
62.05890	0.1
62.98536	0.2
63.99244	0.5
71.01389	0.3
78.04138	0.1
89.02453	0.2
96.96017	0.1
98.20666	0.3
101.02431	0.2
108.02182	0.2
113.02472	0.1
125.02458	0.1
134.03767	0.2
160.01674	0.3
175.04013	0.4
488.61566	0.1
495.18619	0.5
521.17285	0.1
522.17480	0.2
558.22626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65902	0.2
59.01378	0.6
61.98828	100.0
71.00674	0.3
71.01378	0.4
79.41982	0.1
89.02453	0.4
96.96013	0.4
101.02463	0.2
106.24888	0.2
115.92058	0.3
116.92139	0.2
116.92861	1.4
117.92892	0.6
160.01662	0.3
163.06116	0.2
175.04041	0.5
181.30240	0.2
193.05173	0.2
196.64130	0.2
198.13121	0.2
241.39761	0.2
492.19714	0.3
495.18491	1.1
504.20026	0.3
558.13727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52661	0.8
59.01377	2.3
59.37586	0.9
61.98827	100.0
71.52595	1.5
85.57449	0.9
89.90194	0.8
97.64445	0.7
146.06590	0.9
215.65674	0.8
233.17058	0.9
383.34897	0.8
558.33362	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08081	1.3
53.37849	1.2
59.01374	2.6
61.98818	3.8
65.03960	50.3
69.03434	2.1
69.37275	4.1
69.37699	5.3
71.01379	3.3
89.02424	1.4
93.03437	3.4
95.05024	3.3
101.02443	3.3
108.02212	1.2
112.91372	1.2
113.02496	1.1
119.04996	2.4
121.06596	17.7
121.43001	1.2
133.02971	2.6
135.04509	2.7
139.02925	3.1
139.04004	60.2
140.04352	1.7
147.04535	1.5
161.02423	8.9
165.05548	20.0
183.06609	100.0
184.06946	2.5
201.11462	1.4
374.87219	1.6
403.12512	1.7
559.16089	1.8
559.23633	1.8
560.17188	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	559.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38869	1.6
58.67751	1.5
59.01375	20.1
61.98809	4.4
63.23961	1.8
65.03960	62.3
66.04310	1.9
68.99810	5.4
69.03452	16.6
69.51225	1.7
70.28056	4.7
71.01376	14.5
73.02950	4.1
77.50798	1.6
81.03448	2.1
83.01372	3.2
85.02925	7.6
87.00861	8.2
89.02416	5.0
93.03454	14.7
95.05000	5.3
99.00878	4.7
101.02425	7.2
103.05504	3.4
106.04236	2.2
112.53018	2.0
113.02434	5.0
115.92097	2.8
116.92828	6.9
119.04995	7.0
119.29562	1.9
121.06590	40.8
138.98041	1.9
139.04004	97.0
139.07634	2.9
141.12825	3.3
155.03383	2.1
163.07648	2.3
165.05550	48.2
166.05847	2.8
171.13875	5.7
173.04541	15.4
183.06599	51.4
184.06905	3.2
187.13376	100.0
188.13744	3.1
201.14966	27.3
209.04521	54.1
210.04726	2.6
223.06068	3.3
227.05531	6.2
229.14333	7.3
246.88499	2.0
327.10736	8.1
345.11655	2.8
371.09726	3.8
389.10477	3.3
397.11234	3.3
491.56747	1.9
515.24884	75.6
516.25342	5.2
550.48340	2.3
559.23804	80.2
560.24261	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	559.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01377	59.1
60.01722	1.5
60.02810	1.1
61.98830	10.5
65.00142	1.1
71.01380	15.9
73.02939	4.3
78.51041	1.2
83.01383	2.7
85.02940	6.7
87.00879	6.6
87.04520	2.8
89.02432	4.6
98.19901	3.9
99.00860	1.9
101.02441	8.9
109.79396	1.2
113.02456	3.6
119.03477	1.3
133.02971	2.4
135.04530	1.9
161.02483	6.1
211.13322	1.4
223.17035	12.6
235.17087	1.6
265.75208	1.3
275.20074	2.3
293.21106	6.8
311.22327	13.8
334.62448	2.5
343.63019	2.2
358.79385	1.2
454.67612	1.4
455.26559	7.9
461.67856	2.8
473.27570	14.0
499.32611	2.9
515.28564	100.0
516.29199	9.3
558.74408	1.5
559.33600	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.348
Annotation	Deferoxamine
Peak:m/z	Relative Intensity
51.64413	0.1
57.03451	0.3
59.01375	100.0
60.01692	0.8
61.98827	1.2
69.03448	0.1
71.01376	2.1
71.52237	0.1
72.99310	0.2
73.02562	0.1
73.02956	0.5
83.01380	0.9
85.02945	1.2
87.00881	0.2
89.02462	0.2
89.80924	0.1
95.01392	0.2
98.64729	0.1
99.00893	0.2
101.02438	1.2
103.06379	0.1
111.00949	0.2
113.02454	0.7
143.03513	0.2
143.10712	0.1
161.02434	0.3
161.04591	0.2
185.15434	0.2
216.69754	0.1
221.89793	0.1
355.28372	1.0
469.31876	0.3
499.32715	12.4
500.33136	1.1
517.33722	5.1
518.34247	0.5
559.34991	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	561.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64690	0.2
59.01379	2.7
61.98831	0.6
66.88418	0.3
69.03439	0.3
69.35377	1.4
71.01381	2.9
73.02930	1.5
80.96517	0.9
83.01392	0.9
85.02934	2.3
87.00868	1.6
89.02431	0.5
90.08450	0.2
96.70145	0.2
97.02940	0.4
98.55582	0.3
101.02432	2.1
103.04031	0.4
105.03463	0.8
107.05031	0.4
111.00856	0.4
112.56133	0.2
113.02451	0.9
115.01907	0.3
117.03468	1.0
120.65365	0.3
125.02460	0.3
131.03479	1.1
132.02141	1.9
133.02953	32.9
134.03786	1.5
135.04523	14.6
137.02515	0.3
139.04012	0.4
161.02429	100.0
162.02794	2.6
179.03479	9.5
221.06607	0.7
327.37256	0.2
367.12271	0.5
399.12994	1.1
432.68646	0.3
529.15576	74.4
530.15930	5.2
543.17426	0.6
561.18494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.1
60.16328	0.2
61.98824	2.3
64.46629	0.2
68.99818	0.3
69.03459	0.3
71.01388	1.4
73.02940	0.5
76.61462	0.2
80.96478	0.4
83.01429	0.3
85.02961	0.9
89.02438	0.9
93.03465	1.4
95.01395	0.4
96.96004	1.1
99.00885	0.3
101.02399	1.2
108.02177	1.6
109.02962	1.7
113.02442	0.4
119.04983	0.3
121.02950	6.5
122.03755	2.9
123.00889	0.7
123.04510	0.6
124.01691	0.7
131.84857	0.3
133.02914	0.5
134.03738	0.9
135.04536	0.8
136.01657	78.9
137.02516	3.2
138.03169	0.4
138.30244	0.2
141.01924	0.3
142.09920	0.3
145.06546	0.3
146.03694	0.3
147.92133	0.2
149.06104	0.5
150.03192	0.6
151.04004	100.0
152.04344	2.6
152.07129	0.4
154.02722	0.5
156.63284	0.2
158.03734	0.5
159.04509	0.9
160.05283	1.6
161.02423	0.8
161.04564	0.3
161.06020	0.4
162.03239	1.7
163.04005	2.3
164.04811	0.3
165.05588	0.6
173.06108	0.8
175.03992	0.8
175.07622	1.1
176.04704	0.4
177.05580	1.2
179.03534	0.8
184.41182	0.3
187.04008	0.5
188.04773	0.3
189.05602	0.7
193.05026	0.3
199.66656	0.2
203.07164	0.4
223.06007	0.4
239.07030	0.4
251.07126	0.3
256.07471	0.3
264.27719	0.4
266.05798	0.5
267.06577	0.7
281.08215	1.5
282.08960	1.1
296.10492	1.8
297.11215	3.0
298.11462	0.3
311.12836	0.7
327.12283	2.3
328.51514	0.3
342.11057	7.3
343.11429	0.7
357.13394	86.6
358.13705	6.0
382.15652	0.3
403.12518	0.6
501.30530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22348	0.3
53.89108	0.3
53.99068	0.3
55.01880	1.7
55.29585	0.3
59.01385	0.4
69.03448	0.5
69.35517	2.2
69.35845	0.4
71.01357	0.4
71.16518	0.2
83.01380	40.9
84.73779	0.3
93.03424	0.7
121.02948	6.0
122.03731	9.2
123.04530	3.2
136.01584	0.3
136.05290	2.2
137.02425	0.5
137.06075	7.7
138.06357	0.3
147.04501	3.2
149.06104	0.4
150.31621	0.3
154.02737	0.6
161.06053	1.4
162.06871	1.2
168.04306	0.6
185.00961	0.4
191.07162	0.3
206.05832	0.5
209.08110	1.7
216.53337	0.3
221.08180	2.9
242.57899	0.3
283.09760	0.4
297.15182	0.3
298.12030	0.8
313.14322	0.8
342.10968	3.9
357.13394	100.0
358.13684	6.4
557.57483	0.3
561.19830	0.5
566.28192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43779	0.1
55.01871	0.3
57.03451	0.4
58.00583	0.2
59.01376	100.0
60.01714	0.6
60.99288	0.2
61.98828	2.6
69.03454	0.2
71.01378	6.8
72.99314	0.4
73.02946	2.6
75.00859	0.2
83.01379	1.8
85.02951	3.6
86.00067	0.1
87.00886	0.6
88.98805	1.1
89.02443	1.9
93.03474	0.1
95.01363	0.6
97.02987	0.2
99.00863	1.0
101.02438	5.7
111.00896	0.3
113.02441	3.3
116.92877	0.3
119.03488	0.5
125.02455	0.4
129.02003	0.2
131.03537	0.2
133.02974	0.2
135.04520	0.2
137.02480	0.1
143.03505	0.7
149.04518	0.1
159.02959	0.5
161.02431	0.4
161.04556	2.9
172.54616	0.1
179.03574	0.1
179.05635	0.2
191.05676	0.4
197.25031	0.1
231.36517	0.1
264.32468	0.1
267.06516	0.2
268.07480	0.1
281.08249	0.4
295.19141	0.2
300.06512	0.2
312.10175	0.3
313.10867	0.2
327.12427	0.4
341.10242	0.3
355.11447	0.1
357.13791	0.1
357.26404	0.2
471.16602	0.4
483.16556	1.1
489.17709	0.7
501.17606	2.2
501.24338	0.1
501.30499	0.9
502.18100	0.2
519.18787	0.2
519.32159	0.3
561.20526	0.2
561.29822	0.3
562.19025	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
56.24413	0.2
57.03441	0.6
58.00586	0.2
59.01376	100.0
60.01715	0.7
61.98832	1.5
69.03460	0.3
69.17196	1.7
71.01376	6.4
72.99329	0.5
73.02945	2.1
81.03527	0.2
83.01382	1.7
85.02946	3.1
86.00093	0.2
86.47518	0.2
87.00878	0.6
88.98801	0.8
89.02443	2.0
93.03483	0.2
95.01411	0.6
97.02972	0.3
97.11035	0.2
97.12344	0.2
98.19841	0.4
99.00874	1.1
101.02437	5.5
113.02443	3.4
113.03154	0.2
116.92851	0.3
119.03529	0.5
125.02457	0.4
133.02892	0.2
135.04497	0.2
136.60533	0.2
143.03525	0.7
151.18913	0.2
159.03017	0.8
161.02473	0.3
161.04532	2.3
163.04118	0.3
191.05661	0.3
231.13861	0.2
235.65161	0.2
239.07152	0.2
253.08868	0.3
268.07358	0.2
281.08182	0.4
312.10199	0.4
313.10593	0.2
327.12582	0.6
341.10300	0.2
357.13614	0.2
456.14035	0.2
471.16986	0.5
483.16507	1.1
489.17630	1.1
501.17715	2.6
501.30521	1.1
519.18671	0.4
561.20166	0.4
561.29773	0.6
562.18530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96832	1.1
58.00594	1.5
59.01376	67.1
60.82944	1.2
61.98827	50.1
63.99258	9.9
69.18011	1.3
69.18333	12.0
71.01379	46.6
72.99310	3.1
73.02941	15.7
82.55968	1.2
85.02957	4.8
87.00865	3.0
89.02438	100.0
96.96006	13.2
97.02930	1.7
98.19852	2.8
99.00878	29.0
99.04508	1.7
101.02437	41.3
101.06087	1.3
113.02451	10.1
115.03954	1.4
119.03500	3.1
125.02438	7.5
131.03496	15.7
133.38791	1.0
135.04431	1.5
139.04041	1.4
143.03461	5.1
149.02586	2.6
149.04539	85.2
150.04857	1.7
161.02341	1.7
161.04509	6.1
164.04781	2.5
175.00356	2.8
187.02449	1.7
190.02687	10.7
191.05603	21.0
193.09143	1.3
205.05087	13.6
221.06636	11.1
223.06158	2.9
251.07661	8.0
286.79358	1.4
293.08786	5.8
311.09970	6.4
525.19800	20.1
526.19958	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	562.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.9
61.98827	100.0
62.70284	0.3
64.56885	0.3
71.01376	0.8
71.51077	0.7
73.02941	0.4
80.13330	0.3
81.18712	0.3
83.01419	0.9
87.00920	0.4
89.02434	0.4
93.03484	0.4
96.96016	0.8
99.00895	0.8
101.02462	0.5
101.74638	0.4
109.02967	1.2
111.00880	0.5
113.02448	0.7
115.00418	0.5
121.06651	0.5
133.02896	0.5
135.04523	1.3
137.02487	0.5
139.00381	1.3
144.04509	0.4
147.04510	0.5
149.06067	8.3
150.03204	0.3
159.04507	0.4
161.02417	2.2
161.06046	0.7
163.03984	0.7
165.01976	1.0
165.05591	0.7
175.03972	1.7
177.01929	1.5
185.06113	0.4
191.03589	0.4
193.05017	1.8
201.05591	0.5
203.07097	0.6
219.02959	4.3
221.04657	0.5
229.05089	0.5
231.02948	0.6
231.06769	1.2
233.04576	1.7
237.04015	5.6
247.06197	0.4
257.04492	0.5
259.02441	3.5
275.05496	0.4
277.03604	1.0
293.06647	0.8
319.04776	1.3
337.05640	11.5
338.06149	0.5
381.08386	0.8
399.09259	0.8
432.61597	0.4
437.10999	0.5
439.08951	0.8
481.09848	25.3
482.10300	2.0
499.10968	8.2
499.17740	0.7
530.16077	0.5
562.10547	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	563.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23811	1.3
59.01376	40.2
61.98819	3.8
65.03947	3.0
69.53035	6.6
71.01376	25.4
71.01735	2.1
72.99328	1.4
73.02941	23.9
83.01394	4.9
85.02924	6.6
87.00866	2.9
88.98779	3.0
89.02435	16.6
93.03455	2.0
95.01364	2.0
96.61421	1.1
96.96008	3.6
99.00883	2.4
101.02431	23.1
111.00892	4.0
112.00556	1.2
113.02426	12.9
119.03503	4.5
119.05013	2.6
121.06613	1.9
123.04542	2.4
125.02429	1.2
129.01906	1.2
129.91298	1.1
131.03511	1.9
135.04520	52.2
136.04860	1.7
139.04021	4.6
143.03432	1.3
153.05609	1.4
161.02423	5.2
161.04538	3.4
165.05582	3.8
183.06587	3.3
191.05527	2.1
209.04414	1.3
281.10306	1.5
297.09790	12.2
299.11423	1.8
299.82010	1.2
311.82794	1.1
315.10855	32.8
334.90955	1.2
341.12271	2.7
357.11893	100.0
358.12238	4.8
389.10849	5.4
459.14618	1.6
519.17480	10.9
520.16443	1.8
545.15070	1.3
555.55878	1.3
569.55194	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26157	0.6
53.43372	0.5
55.01870	0.8
57.03417	0.8
58.00581	0.9
58.28278	0.7
59.01376	31.1
60.99284	0.9
61.98816	2.3
63.28704	0.6
67.21484	0.6
69.24306	0.6
69.25690	3.6
69.26109	1.6
71.01378	18.6
71.45063	0.5
72.99314	0.8
73.02940	21.0
76.28552	0.6
83.01377	5.7
85.02949	3.8
87.00870	2.0
88.95172	0.6
88.98797	3.7
89.02441	12.8
95.01359	0.9
96.96002	1.5
97.02953	0.7
99.00864	1.0
101.01803	1.1
101.02438	17.1
111.00871	2.5
113.02427	9.1
115.02041	0.6
119.03490	4.5
121.06585	0.6
123.04565	1.0
125.02413	1.0
131.03474	1.6
133.02950	0.7
135.04515	39.9
136.04808	0.8
139.03990	1.6
143.03497	1.0
143.99736	0.6
149.04576	0.8
153.05539	1.3
157.46060	0.7
161.02417	1.1
161.04529	1.5
165.05594	0.8
173.00990	0.6
173.04672	0.6
179.05544	0.8
183.06490	0.6
191.05574	2.5
191.88164	0.6
192.05922	0.7
203.19316	0.6
237.53789	0.7
263.67310	0.6
297.09769	11.2
315.10828	32.2
316.11151	1.4
357.11874	100.0
358.12100	4.8
389.10907	2.1
420.70880	0.6
459.15784	0.7
489.88092	0.6
519.16998	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	563.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.8
56.01776	0.6
56.98027	1.1
58.00586	0.7
59.01377	10.6
59.62588	0.5
61.98827	2.9
65.03959	23.1
66.06696	0.5
67.01912	0.7
68.99797	1.3
69.03456	4.2
70.08900	1.4
71.01379	10.2
72.99303	0.7
73.02946	2.2
83.01408	1.4
85.02953	4.7
85.06584	18.2
87.00854	1.8
88.98798	1.6
89.02436	5.3
93.03452	4.3
95.01406	0.9
95.05029	2.8
98.99111	1.7
99.00876	2.1
99.04473	0.6
101.02427	8.0
101.06059	3.2
106.04235	1.3
108.02112	0.5
113.02442	4.1
119.03498	1.9
119.05008	3.0
120.21102	0.5
121.06589	15.3
125.84074	0.5
129.05576	11.5
130.97429	0.5
135.04550	1.1
137.06046	0.7
139.04007	35.6
139.07613	0.7
140.04343	1.1
142.98071	1.3
159.03004	0.7
160.99097	1.7
161.02443	2.0
161.04556	1.7
163.07692	0.6
165.05554	19.8
173.04550	0.8
175.02513	0.7
183.06615	23.4
191.05609	0.9
207.06599	0.6
209.04544	6.0
215.09193	1.8
218.51463	0.5
225.07726	0.8
227.05605	1.6
259.64294	0.6
309.82208	0.6
345.11871	18.3
346.11923	0.7
389.10864	100.0
390.11081	5.7
447.11496	0.8
563.16089	17.6
563.24884	1.2
564.16718	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60743	0.8
54.29246	0.9
55.01872	1.8
57.03430	1.1
58.42381	0.8
59.01375	6.1
68.99807	0.9
69.72497	4.3
71.01373	8.5
72.99306	0.9
73.02930	3.9
75.00857	1.0
83.01382	2.9
85.02953	4.2
87.00871	27.0
89.02422	3.6
95.01371	3.1
99.00860	5.7
101.02443	4.1
111.00887	4.9
112.98782	5.9
113.02444	2.1
115.00332	1.3
119.03492	1.7
123.00867	6.2
124.01678	1.5
125.06042	1.7
129.01904	2.8
130.86858	0.8
131.03496	1.5
134.54788	0.8
138.03244	5.4
139.03920	1.5
139.10175	0.9
142.99873	4.7
145.01421	1.9
151.00346	1.1
153.05536	5.5
161.02434	7.5
163.03995	5.8
164.04718	4.9
165.05478	1.0
166.02678	3.0
167.99991	0.9
168.08855	0.8
173.00894	27.2
173.02393	1.5
173.04379	0.8
174.01695	6.0
175.03937	1.7
176.04782	6.0
177.01900	2.2
178.06322	7.8
179.03532	7.7
179.05592	1.9
179.07103	8.1
181.05070	4.4
183.06587	1.5
188.04674	1.3
189.05455	1.1
190.02702	2.5
190.06377	1.2
191.03500	8.5
191.05293	1.3
191.07097	3.7
192.04163	1.7
193.08638	11.7
194.05823	11.1
203.03542	4.4
205.05000	2.9
206.05841	5.6
207.06602	1.3
209.08179	14.5
210.08548	1.3
216.04187	0.8
218.02271	0.9
218.05806	2.0
219.02977	3.6
219.06483	1.3
221.04694	1.1
221.08289	6.1
222.05235	0.9
231.02867	1.5
233.04469	1.7
233.08212	1.4
234.05275	2.6
235.06058	1.0
236.06972	1.0
237.07622	1.3
245.04469	1.2
246.05600	0.9
247.02415	5.6
247.06195	1.5
249.07637	6.9
250.04701	1.3
261.03918	3.4
261.07751	1.2
262.04788	11.0
265.07169	10.5
276.06372	4.6
277.07132	32.6
289.07208	1.7
291.08762	2.2
295.08093	1.0
307.08096	1.8
331.41385	1.0
337.09225	27.3
383.09824	1.6
389.10876	1.5
419.19763	1.1
427.12476	1.3
439.12463	1.4
487.14420	4.5
503.16016	2.4
515.35449	0.9
554.23621	0.8
563.16089	100.0
564.16803	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	563.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11202	0.4
56.85759	0.4
57.03447	0.5
59.01376	1.9
61.98821	0.8
65.03959	46.7
66.04295	0.7
69.03468	1.2
71.01372	2.1
71.52732	0.6
73.02906	0.5
81.03444	1.2
85.02924	1.0
85.06577	1.0
87.00894	0.7
88.98807	0.5
89.02453	1.4
92.84516	0.4
93.03446	7.4
95.05016	3.8
96.72662	0.4
98.20665	0.5
101.02435	1.9
101.06086	0.6
103.05540	0.6
106.04250	1.0
107.05051	0.8
108.02245	0.4
113.02456	0.7
115.00368	0.4
116.11565	0.4
119.03512	0.5
119.05016	3.5
121.06586	19.5
139.04004	93.3
140.04338	2.0
161.02419	0.9
165.05545	24.9
166.05876	0.8
173.04668	0.5
183.06604	100.0
184.06958	2.3
191.05685	0.6
209.04491	0.5
218.55139	0.5
345.11679	0.8
347.13220	0.7
379.16080	0.9
389.10815	4.5
390.10971	0.5
394.09296	0.5
477.72418	0.6
563.15131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86462	2.0
54.31144	2.1
59.01373	33.2
61.98823	15.6
63.21662	2.4
71.01369	11.3
71.52011	2.1
73.02957	5.3
83.01347	3.7
84.80312	2.4
85.02945	6.9
88.13862	1.9
101.02435	5.5
110.39528	2.4
113.02443	5.4
161.04536	3.1
269.19119	7.7
315.19592	100.0
316.20032	5.6
329.21170	9.7
357.20615	72.1
358.20868	5.2
503.28091	3.7
563.19470	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	563.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
59.01376	41.1
61.98824	13.0
69.28711	4.3
69.29135	4.8
71.01381	10.3
72.99297	1.1
73.02938	4.8
74.97120	1.1
78.44452	1.2
83.01374	2.0
85.02940	4.9
88.98816	1.0
89.02475	1.4
89.50486	1.2
96.96024	1.3
98.20657	2.8
101.02406	6.1
113.02437	4.2
116.92842	2.4
143.03355	1.2
191.05566	1.8
269.19037	5.8
285.18555	9.5
287.20142	69.2
288.20465	4.8
297.18518	3.6
315.19620	61.2
316.19943	3.9
341.26187	1.6
383.69202	1.2
404.19714	1.3
459.23804	20.3
460.24054	2.3
477.24823	22.9
519.25958	100.0
520.26477	9.7
563.20313	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	563.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88237	0.7
53.65054	0.8
55.01889	0.9
59.01378	26.8
60.55417	0.8
61.98831	6.9
62.69845	0.7
62.70184	0.7
71.01377	14.1
71.52893	1.1
72.99271	1.3
73.02936	5.0
83.01389	2.3
83.05057	1.1
85.02939	4.3
87.00858	1.4
88.98817	1.1
89.02439	10.3
99.00879	2.4
99.04516	100.0
100.04830	1.8
101.02439	12.5
111.00863	1.7
111.04523	1.4
113.02457	7.9
113.06101	2.6
119.03510	4.3
123.52038	0.9
125.02425	2.0
126.84691	0.9
135.04449	1.0
139.07669	1.0
141.05547	1.9
143.03464	2.0
148.17418	0.8
157.08681	8.7
159.02979	1.8
161.02435	1.4
161.04558	8.6
179.05643	1.7
183.10239	25.9
190.97272	0.8
191.05550	1.1
199.69409	0.9
218.29146	0.9
233.75580	0.8
243.08960	0.9
301.12787	4.7
319.13950	43.3
320.14371	1.6
336.23740	0.8
401.18182	32.0
402.18793	1.7
406.12115	0.9
467.43863	0.9
485.23904	3.6
519.15466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15329	0.2
56.73664	0.2
59.01379	100.0
61.98833	2.0
67.01897	0.3
69.15432	2.6
71.01393	0.7
73.02950	0.2
81.72543	0.2
85.02967	0.8
87.00886	0.5
88.16855	0.2
88.98795	0.5
93.03448	2.3
99.00949	0.3
101.02456	0.5
101.57301	0.2
108.02232	0.3
112.98627	0.3
113.02413	0.3
135.04509	0.4
173.04524	0.8
173.05943	0.3
191.05618	6.7
195.01932	0.3
215.07201	1.4
226.54008	0.3
226.56302	0.3
233.08278	0.3
266.16714	0.4
267.17566	0.6
281.19070	0.8
297.18451	0.4
299.20142	57.3
300.20450	4.2
340.76294	0.3
371.14865	0.6
477.31027	0.3
530.13123	0.3
535.25763	0.4
545.20465	3.0
546.22345	0.3
563.20886	1.7
563.34888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41930	0.1
56.93582	0.2
59.01370	0.7
61.98827	100.0
65.76878	0.1
66.91225	0.1
69.29178	0.9
69.29600	0.4
71.01396	0.3
72.99316	0.2
73.02940	0.2
89.02427	0.2
96.13437	0.1
96.96002	0.2
101.02464	0.2
115.59655	0.1
125.02470	0.2
133.02965	0.4
135.04486	0.2
150.03236	0.2
161.02390	1.1
162.02750	0.3
179.03499	0.2
184.36690	0.2
205.05067	0.3
476.16254	0.2
505.27249	0.1
520.15723	0.5
526.20160	0.3
533.14691	0.2
564.16681	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
57.03447	5.6
58.00579	1.0
59.01378	29.0
65.03958	24.0
67.01867	1.7
68.99817	2.6
69.03458	6.4
69.51443	6.6
71.01010	1.8
71.01379	25.1
72.99308	18.8
73.02943	23.1
73.61626	1.0
75.00868	2.2
81.03437	1.3
83.01380	5.6
85.02946	48.3
86.03343	1.0
87.00867	3.0
88.98798	2.1
89.02448	9.9
93.03455	3.2
95.01379	11.4
95.04999	2.4
96.96008	4.6
98.19992	1.9
99.00859	7.7
101.02435	18.2
103.00359	3.4
103.03979	2.9
105.52635	1.0
106.04228	1.4
107.05003	1.4
109.02870	0.9
111.00880	1.3
113.02444	88.8
114.02799	1.2
119.03545	1.5
119.05031	3.7
121.06592	14.4
125.06021	2.3
129.01921	11.4
131.03500	27.1
139.04012	36.0
139.07626	1.1
147.04515	1.6
157.01411	12.7
159.02933	1.2
161.04573	1.0
165.05566	22.7
175.02466	100.0
176.02797	3.6
183.06609	21.4
184.06958	1.1
191.05580	1.5
209.04527	3.5
225.28522	1.0
227.05576	1.4
237.07631	0.9
345.11829	12.0
389.10864	41.9
390.11133	2.4
439.00067	0.9
461.12973	5.3
503.14102	1.3
534.96167	1.3
565.13971	22.4
566.13849	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87692	1.1
59.01379	11.2
61.98824	16.0
69.54087	2.9
69.54493	5.7
71.01367	7.7
75.00842	2.0
82.95428	1.5
85.02946	1.3
88.98763	1.8
89.02430	3.7
89.39825	1.5
96.96017	8.6
101.02438	3.9
108.02147	1.5
118.98008	2.0
122.06110	2.2
132.04510	4.5
137.36520	1.4
147.03209	1.8
158.02510	1.8
160.04007	2.2
161.02408	2.2
162.05589	3.0
165.04042	4.4
176.03491	1.7
177.73914	1.4
179.05746	1.3
184.07631	3.4
188.34438	1.3
190.05051	11.3
198.04333	3.7
211.05026	1.7
211.08752	2.6
211.12294	1.5
212.05725	3.2
212.07387	2.6
213.06683	4.1
215.11871	2.9
224.09552	3.8
227.08240	10.5
228.08752	1.7
237.10335	2.2
238.31331	1.4
239.08093	2.4
239.11827	11.3
240.10396	6.3
241.09894	7.1
250.07422	2.5
252.05406	2.9
253.06155	14.6
253.09836	4.8
254.03342	3.0
254.06885	1.3
255.07700	13.8
255.11371	3.5
265.09808	4.8
266.06879	1.6
267.07709	11.7
268.08432	10.0
269.09174	2.2
271.07129	3.6
281.09247	12.9
283.10858	59.5
284.11044	3.4
287.10376	15.1
299.06668	1.6
299.10291	4.7
307.10834	3.5
309.08786	27.0
310.09390	1.9
311.06766	1.4
315.13501	1.6
325.12085	2.9
327.09833	15.7
328.09644	2.8
331.09131	2.4
341.11292	15.4
345.11105	1.6
353.07782	2.9
359.12222	2.3
369.10724	2.5
371.08746	13.0
385.10345	11.1
401.13635	6.7
403.11115	26.3
404.11682	1.6
413.09854	2.5
426.42172	1.2
445.12436	18.2
452.09155	1.5
473.11899	2.7
475.13583	10.8
505.14603	100.0
506.14865	8.9
533.14246	17.4
534.14862	1.6
547.15723	2.7
565.16644	90.9
566.16919	9.6
583.09119	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03449	5.6
59.01377	100.0
60.01709	0.9
61.98830	17.7
69.03448	1.1
71.01375	28.6
71.05019	0.9
71.53399	1.1
71.54073	0.7
72.99305	1.2
73.02950	5.7
74.99090	4.7
78.91894	1.6
80.91686	3.1
81.03456	0.8
83.01393	4.3
83.05024	2.7
85.02946	11.5
87.00879	7.1
88.98796	1.6
89.02439	15.8
93.03475	1.1
95.01366	3.5
97.02959	1.5
97.06591	1.5
99.00888	2.4
101.02437	16.5
107.05029	6.0
108.02170	54.6
109.02991	1.1
113.02441	13.5
115.07603	0.9
119.03497	5.1
119.05005	1.3
120.05816	2.8
123.04546	0.8
125.02417	1.3
127.26628	0.8
127.50365	0.7
131.05049	1.1
133.06573	3.3
134.03703	0.7
135.04506	12.5
140.65681	0.7
141.03459	0.8
143.03514	2.1
143.10774	0.9
145.06584	1.4
146.07384	0.9
147.04515	13.5
147.08130	0.8
149.05978	1.3
152.04785	1.2
153.05554	3.1
157.06573	1.1
159.02988	0.9
159.11751	1.1
161.04558	2.9
161.06070	8.6
161.09692	12.0
161.13339	4.6
163.11272	1.6
165.05556	1.1
173.06062	0.9
177.05536	1.1
179.05544	1.0
181.03363	0.7
185.11873	5.7
187.11269	16.0
189.05598	3.1
189.09177	9.0
191.07144	1.7
193.03290	1.2
201.14925	0.9
203.10753	2.1
205.12289	7.2
207.10257	3.2
211.04347	1.7
223.13409	2.4
227.12894	0.8
231.10193	0.9
238.64754	0.8
241.02232	0.7
247.13376	0.8
248.74742	0.7
249.11296	8.8
249.93835	0.8
263.12906	1.0
267.12354	2.3
297.09738	1.2
315.10880	7.4
315.25385	1.8
319.13876	1.5
343.28452	1.8
359.27744	1.4
361.29544	9.7
396.72202	0.8
475.32718	1.0
502.23737	1.6
505.33783	67.1
506.34024	4.4
518.97815	0.8
523.34821	22.2
524.35175	1.4
565.14099	7.5
565.22729	74.7
565.35321	4.4
566.23120	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	565.301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00364	0.7
59.01375	100.0
61.98830	8.8
71.00356	1.9
71.01377	4.0
72.99320	0.9
73.02944	2.7
83.01396	2.2
85.02961	2.8
87.00883	1.1
96.96029	1.8
97.02954	0.8
99.00900	0.9
101.02438	6.5
113.02480	2.0
113.59684	0.7
116.92867	2.0
133.02974	1.3
161.02473	3.0
211.13414	1.1
246.55052	0.8
261.39087	0.9
269.18967	0.9
271.87357	0.8
301.21698	18.5
302.22223	1.0
410.86536	0.8
445.25937	10.2
446.26202	0.8
463.27002	4.8
505.28046	58.0
506.28305	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	565.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23012	0.5
53.84076	0.5
55.01838	0.6
59.01375	100.0
59.45093	0.5
59.69875	0.5
60.01720	0.6
61.16285	0.5
61.98827	5.6
62.96776	0.4
69.54775	0.7
69.55188	2.9
71.01385	4.7
73.02948	3.4
83.01396	1.2
85.02924	2.6
87.00862	0.5
88.98797	0.5
89.02455	1.0
90.39167	0.5
95.01346	0.5
96.95992	0.5
99.00865	0.8
101.02431	5.0
113.02469	1.6
116.92882	1.1
118.30933	0.5
119.03637	0.5
121.56743	0.5
135.04477	0.9
147.46217	0.5
159.02890	0.6
161.02400	2.5
177.05769	0.5
207.10229	0.6
211.13495	0.7
283.20932	0.7
301.21671	18.5
302.22198	1.6
343.12891	0.6
358.75134	0.6
445.26025	9.6
445.32117	1.0
446.26334	0.6
463.27179	4.2
505.28018	57.9
506.28223	5.7
564.03662	0.6
564.78796	0.5
565.73328	0.7
571.31213	0.6
572.80273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.4
58.54318	1.2
59.01376	100.0
61.98809	1.7
69.28320	8.3
71.01381	11.8
73.02927	4.7
78.95915	7.9
83.01373	3.9
85.02939	9.0
87.00880	1.3
89.02451	3.4
95.01385	1.9
95.48256	1.2
96.24794	1.5
96.96978	2.8
99.00921	1.6
101.02447	10.6
108.18182	1.2
113.02444	9.9
143.03471	1.9
161.04579	3.0
248.49466	1.3
287.20041	11.9
293.12970	1.5
315.25424	4.9
317.21240	8.3
317.26929	7.9
403.29962	1.4
461.31186	64.2
462.31421	7.0
479.32269	22.2
480.32425	1.4
521.33136	2.9
565.25555	6.7
565.35895	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	565.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
57.03448	0.7
59.01374	100.0
60.01695	0.8
61.98824	39.5
69.42277	3.2
69.42693	1.1
71.01379	17.5
71.57394	0.6
73.02943	5.3
83.01389	2.7
85.02940	9.7
85.03397	1.0
87.00870	1.3
88.98801	0.6
89.02435	4.7
95.01397	1.5
97.02955	0.8
99.00883	2.1
101.02435	9.9
111.00939	1.1
113.02438	10.8
113.03154	0.8
115.03983	0.6
116.92850	1.2
119.03529	2.0
125.02459	1.1
135.04576	0.7
143.03513	2.2
159.02974	0.7
161.02490	1.2
161.04568	4.6
179.03593	0.6
187.14926	0.6
188.20172	0.6
213.18658	1.0
226.09077	0.6
315.25421	1.9
317.26880	3.0
399.23679	3.2
417.25186	2.1
459.25946	0.8
461.31140	54.5
462.31387	4.7
465.28003	0.6
475.18045	0.7
479.32178	17.8
480.32724	1.7
497.59695	0.6
505.33685	11.9
506.34290	1.1
521.33179	4.6
523.35052	2.2
565.22504	0.8
565.36243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92849	0.7
55.01873	1.0
57.03438	1.8
58.00584	0.9
59.01375	100.0
60.01723	0.8
61.98823	17.9
71.01373	14.8
72.99303	1.6
73.02939	6.1
75.00860	1.0
81.02181	1.0
83.01379	5.0
85.02943	8.3
87.00891	1.3
88.98793	1.4
89.02449	2.8
95.01397	1.8
96.00864	1.0
97.02955	1.3
98.02466	1.4
99.00903	2.2
99.05663	2.6
99.92610	1.1
101.02430	10.9
109.01698	1.3
111.00847	1.5
113.02450	8.6
116.92851	12.4
117.01983	1.3
119.03476	0.9
124.02786	1.1
125.02442	1.8
135.04597	1.1
137.89609	0.7
141.06686	1.9
141.12886	0.7
143.03508	1.7
147.04590	1.4
147.05963	1.0
150.03419	0.7
151.00427	0.7
161.02415	2.0
161.04568	3.3
161.05933	0.7
164.07213	3.1
165.10353	1.0
166.02750	1.7
166.08762	3.2
181.05130	2.2
183.11485	0.8
189.07051	4.9
191.05576	0.9
240.95410	0.7
256.08542	1.1
285.24573	1.0
313.15591	1.5
315.25281	4.5
317.27063	4.2
357.14529	12.4
358.14975	0.8
361.29642	1.2
375.16061	1.0
403.17560	4.6
461.31165	44.8
462.31497	3.7
479.32199	17.2
480.32883	1.7
505.33810	19.7
506.34332	1.1
521.33429	3.3
523.34784	1.3
547.22260	11.9
565.23053	3.6
565.37146	1.5
566.24353	1.1
574.65363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20352	0.9
54.32047	0.9
55.01864	2.0
59.01375	100.0
59.25491	1.1
61.98826	20.9
64.89619	0.9
71.01376	18.8
71.53745	1.7
72.99314	1.6
73.02936	7.8
75.14631	0.9
80.24866	1.1
81.03444	1.5
83.01366	5.3
85.02946	10.9
85.65240	0.9
87.00872	2.0
89.02431	3.2
95.01395	3.0
97.02934	1.4
99.00880	2.8
101.02428	14.4
107.68285	1.1
111.00864	2.0
113.02464	11.5
119.03449	1.2
125.02456	2.3
137.02478	1.0
139.03955	1.1
143.03435	1.5
145.03015	1.0
151.04057	1.5
159.03041	1.3
161.02428	2.3
161.04553	4.5
166.02721	1.8
167.03455	1.3
181.05040	3.2
191.05574	1.2
192.05920	1.2
299.25708	1.4
315.25403	2.9
317.26932	4.3
343.15518	1.5
385.29480	1.6
403.17511	10.7
404.17712	1.1
461.31140	65.5
462.31299	6.0
479.32214	19.1
480.32477	1.6
505.33847	11.9
521.33038	4.7
523.34540	1.2
535.20184	1.5
543.48724	1.1
565.36066	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	566.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36184	0.7
51.38052	0.5
51.41404	0.6
54.51537	0.6
57.03485	0.7
59.01374	63.3
60.01728	0.7
61.98825	100.0
62.76018	0.6
69.15724	4.6
69.16150	2.7
71.01379	5.6
73.02951	1.3
83.01395	1.1
85.02956	2.5
87.04553	0.6
89.02461	2.2
101.02446	2.8
113.02417	3.9
116.13573	0.6
152.07115	1.4
161.04561	2.7
192.96156	0.7
204.26762	0.7
212.25867	0.7
293.09955	0.8
314.32813	0.6
362.29816	0.9
385.92331	0.7
399.18655	1.2
399.23828	21.5
400.24222	1.9
417.24860	4.3
459.25986	7.8
460.26364	1.1
502.16449	1.8
505.33777	1.4
506.34164	2.8
524.35364	1.1
567.24695	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39526	0.1
55.93544	0.1
59.01379	0.4
60.42112	0.1
60.99309	0.3
61.98827	100.0
62.05870	0.2
62.98528	0.1
63.46724	0.1
69.27792	0.7
69.28197	0.4
71.01400	0.2
78.44568	0.1
85.02963	0.3
88.98791	1.3
89.02435	0.3
98.19855	0.3
109.44458	0.1
113.99599	0.4
115.00405	0.3
131.96744	0.1
133.02982	0.3
135.04527	0.2
156.00731	0.3
156.43706	0.1
161.02461	0.7
174.01680	2.0
175.02103	0.3
179.03447	0.2
184.45132	0.2
291.86963	0.1
469.21219	0.2
470.21106	0.3
477.13745	0.7
500.70581	0.1
504.03687	0.2
512.22394	0.3
566.19379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22570	0.3
59.01377	3.2
60.99302	15.5
61.98824	4.5
69.68914	0.9
69.69315	0.5
71.01379	1.8
73.02953	0.4
84.95130	0.6
85.02945	0.4
87.00879	0.4
87.62440	0.3
88.98799	100.0
89.02428	1.1
89.99138	0.6
96.95995	2.1
98.20006	0.4
101.02441	1.1
108.02177	3.6
113.02454	0.6
116.92860	1.5
117.03490	0.3
119.05000	0.5
132.02066	0.3
133.02942	2.5
134.03786	1.4
135.04539	1.8
137.02422	0.6
149.02402	0.4
149.06053	0.8
150.03218	0.7
151.04111	0.3
161.02438	10.6
163.03984	0.4
165.05605	0.6
170.36696	0.3
175.04059	0.4
177.05536	0.4
179.03477	1.9
187.61086	0.3
191.05507	0.3
193.05061	0.4
195.06639	0.6
204.07668	0.4
221.04529	0.7
225.11424	0.7
235.06094	0.3
251.05569	0.4
267.08746	0.9
281.06668	0.7
333.15500	0.6
405.17337	0.4
477.13950	10.8
478.14429	0.7
493.16498	0.5
507.20776	0.6
567.22717	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.1
59.01377	12.5
65.03957	19.6
68.99808	2.0
69.03457	6.3
70.26328	2.8
71.01378	15.2
72.99294	2.6
73.02921	1.9
75.00888	1.6
83.01379	3.3
85.02940	5.8
87.00866	6.4
89.02449	6.8
93.03461	4.0
95.05030	3.0
99.00885	3.1
101.02438	7.7
103.00385	2.1
105.01927	25.0
106.04243	1.4
107.04978	1.1
111.00861	2.8
113.02451	4.4
113.55597	1.0
115.03996	2.4
119.03497	1.9
119.05013	3.1
121.06583	14.2
129.01939	12.0
137.06055	2.0
139.04005	32.8
140.04315	0.9
147.03021	4.7
147.04488	3.0
159.02959	1.4
165.04166	1.7
165.05553	27.9
177.04037	15.3
179.05597	1.3
183.06621	15.0
183.97452	1.0
195.05061	4.8
207.06702	1.1
209.04567	6.9
233.51596	1.0
247.04506	3.7
327.10742	3.3
345.11865	10.0
358.30573	1.0
371.09811	4.4
387.09467	1.5
389.10843	16.2
461.13034	3.3
487.78305	1.1
501.12292	1.3
519.13544	5.2
549.14545	18.7
550.15253	1.6
567.15594	100.0
568.15991	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	567.2992
Annotation	Scutianine L
Peak:m/z	Relative Intensity
57.24391	1.1
59.01379	16.6
61.98825	14.5
62.98225	0.9
69.06590	0.9
69.39174	6.8
79.95727	2.1
83.38687	0.9
95.95219	1.4
96.27473	0.8
96.95987	2.9
101.53667	1.0
115.92052	2.0
116.92867	7.5
132.44460	1.1
161.04308	1.2
188.93181	1.0
288.99359	1.1
436.25110	1.0
438.34381	1.1
505.14868	1.5
507.28638	1.1
537.25415	4.6
567.29877	100.0
568.30249	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	567.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.3
61.98829	2.9
64.63286	0.7
69.06149	0.7
71.52393	0.9
78.95902	1.6
122.13115	0.8
152.99567	1.3
277.21600	1.3
365.79013	0.9
431.29779	0.8
471.34760	100.0
472.35089	11.4
473.35498	3.1
567.26282	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03444	1.9
59.01376	53.7
60.01692	1.3
61.98825	21.9
69.03466	1.2
71.01373	25.1
71.53771	1.3
72.99297	1.5
73.02943	9.5
80.91705	1.6
83.01381	6.3
85.02946	13.1
87.00880	1.3
89.02434	5.7
93.03437	1.0
95.01393	2.5
95.05000	0.8
97.02937	1.1
98.32697	0.7
99.00876	3.5
99.11439	0.8
101.02440	20.4
107.03647	0.7
111.00846	3.1
113.02448	9.2
119.03545	1.3
133.02913	3.0
135.04514	3.2
143.03453	1.0
151.04010	1.0
157.12488	0.8
159.03035	1.8
161.02425	7.8
161.04521	5.4
162.02802	1.8
179.03497	2.8
201.05583	1.3
202.06293	1.8
209.11829	5.5
211.13403	2.2
213.73679	0.8
229.08595	2.0
281.06628	1.0
288.23880	0.7
294.56793	0.8
334.12439	1.9
334.62604	4.4
343.12845	2.3
343.63052	4.7
344.13269	1.3
345.29980	3.5
350.13562	0.9
371.18698	1.0
461.16849	1.3
461.67578	5.0
462.17838	1.6
463.23367	1.0
463.31409	1.0
507.35303	100.0
508.35538	9.6
522.61682	1.1
523.27826	1.0
531.27777	0.9
557.73035	1.5
567.29523	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	568.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.0
61.98827	100.0
70.34576	0.8
70.34969	1.0
80.74068	0.5
87.84657	0.4
96.44955	0.5
96.45606	0.4
96.99344	0.4
115.92068	0.5
116.92883	1.4
121.02954	0.5
205.91035	0.5
227.03387	0.6
256.03873	0.7
270.01703	0.8
335.06406	0.5
353.06650	0.8
490.12781	3.5
495.10254	0.5
505.15021	17.1
506.15479	1.6
568.33740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44862	0.9
59.01376	12.2
61.15635	1.0
65.03962	26.1
65.98444	1.1
68.99810	1.9
69.03461	5.8
71.01383	11.9
71.23376	0.9
71.32591	2.1
73.02936	1.7
75.00860	1.7
80.78810	1.0
84.56621	0.9
85.02937	4.1
89.02455	5.8
93.03474	3.1
95.05025	3.4
99.00871	1.7
101.02436	8.3
103.05582	0.9
106.04276	2.0
113.02454	5.4
119.03511	2.5
119.05032	2.4
121.06585	16.4
139.04008	40.7
141.01920	1.9
142.99802	1.2
147.04483	1.0
161.04485	2.0
165.05565	23.9
172.44341	0.9
179.05605	3.4
183.06618	21.4
209.04581	7.9
227.05592	2.6
248.31007	1.2
302.87570	1.0
345.11877	23.8
369.40717	1.0
379.57626	1.0
389.10861	100.0
390.11295	5.7
424.57501	1.0
448.30502	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92665	2.9
52.56104	2.6
59.01393	13.3
65.03957	27.2
65.47562	2.5
69.03435	7.3
71.01363	9.8
71.36552	2.6
71.50596	2.8
75.00843	4.1
85.02914	3.1
89.02448	6.1
93.03461	3.8
101.02435	7.4
121.06579	12.9
139.04002	36.6
150.72438	2.9
165.05556	22.4
179.05661	9.0
179.16772	3.4
183.06638	17.9
204.04562	2.9
209.04584	8.5
227.05592	4.4
238.68687	2.6
345.11874	26.4
389.10876	100.0
390.11310	4.6
588.29181	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83659	15.1
54.39202	15.1
57.76883	16.4
62.91695	16.6
66.00402	17.5
69.68798	100.0
74.90009	15.9
75.60143	15.5
79.50028	16.7
81.96455	18.2
83.01384	54.8
164.57399	17.8
166.37859	17.5
192.52553	17.3
213.14142	17.1
311.02609	18.7
371.14752	99.0
373.52182	17.4
502.77014	19.6
569.17126	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	569.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00570	0.9
59.01376	100.0
61.98822	1.5
62.19995	1.0
71.01374	12.2
71.47927	1.6
73.02939	10.7
73.82209	1.0
74.98098	0.9
75.79360	0.8
78.76283	0.8
81.15903	1.0
83.01376	2.8
85.02956	3.4
88.59081	0.8
89.02445	6.6
95.01428	1.2
101.02431	10.2
113.02438	7.8
119.03481	3.2
149.04558	2.2
161.02473	0.8
161.04546	3.7
179.05453	1.2
465.28448	2.1
483.29224	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.4
61.98827	21.7
69.30194	9.9
71.96141	1.2
71.98872	1.0
72.01939	1.1
88.75053	1.1
99.04718	1.0
105.03450	1.7
109.02924	1.8
116.92854	2.9
117.92871	1.3
122.28102	1.1
123.04488	3.5
132.02214	1.5
133.02953	26.4
134.03641	2.1
135.04509	19.1
150.03214	7.0
151.03983	11.6
161.02429	100.0
162.02777	3.0
163.37573	1.2
165.05573	1.5
177.05550	1.9
179.02084	1.9
179.03490	18.2
194.70987	1.1
203.03513	8.4
221.04446	2.0
254.77740	1.2
259.73819	1.1
323.07663	2.2
341.08713	6.1
475.12411	51.6
476.12933	4.4
507.15039	45.4
508.15317	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	570.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
61.98826	100.0
70.55845	0.3
70.56190	0.5
75.53521	0.2
78.21687	0.2
147.44502	0.2
161.02583	0.2
165.07913	0.2
299.49176	0.2
391.16156	0.2
403.33908	0.2
439.32169	0.3
570.30719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.99805	1.2
71.43980	0.6
120.02302	0.7
166.47978	0.6
204.86777	0.7
264.80234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
61.98827	100.0
62.98529	0.2
70.83212	0.2
70.83556	0.4
71.01382	0.6
73.02943	0.3
89.02445	0.2
101.02452	0.2
113.02428	0.2
116.92865	1.4
133.02957	0.3
150.03218	0.7
161.02449	0.7
181.82474	0.2
183.61343	0.2
280.48618	0.2
370.01321	0.2
452.01114	0.2
474.11841	0.6
533.55627	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26732	0.1
52.44842	0.2
59.01378	1.2
61.98825	100.0
65.03921	0.1
65.32432	0.1
69.17207	1.4
71.01379	0.4
89.02436	0.3
98.19887	0.3
101.02451	0.2
113.02454	0.2
133.02971	0.5
135.04529	0.3
150.03217	0.4
161.02487	1.0
167.99644	0.2
179.03487	0.4
203.36165	0.1
217.06581	0.4
437.64575	0.2
474.11954	0.2
569.69678	0.9
570.19946	0.4
570.70648	0.2
571.18250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50515	0.2
59.01370	1.0
60.50429	0.2
60.99303	15.2
61.98824	9.4
64.06408	0.2
65.03960	3.1
69.52484	1.6
71.01375	0.9
72.99277	0.3
73.02935	0.3
85.02960	0.5
87.00873	0.2
88.98801	100.0
89.99145	0.7
95.05049	0.2
95.74490	0.2
96.95995	1.4
101.02437	0.8
106.53940	0.2
108.02168	0.3
113.02441	0.4
116.92848	0.8
119.04980	0.3
121.06596	0.9
133.02959	3.1
134.03687	0.2
135.04512	1.2
139.04007	3.3
140.04329	0.4
140.33769	0.2
145.02963	0.3
150.03186	0.4
151.03969	0.4
156.12506	0.2
161.02422	13.0
162.02798	0.5
163.03969	0.3
165.05525	1.3
175.46040	0.2
179.03488	0.9
183.06601	6.9
184.06961	1.0
185.07143	0.4
298.08356	0.3
304.69522	0.3
308.53314	0.2
313.10690	0.8
313.98944	0.2
324.12402	0.3
347.42487	0.3
373.12933	3.2
374.13470	0.3
389.10565	0.3
395.86145	0.2
405.26520	0.2
433.00815	0.2
443.13138	0.3
481.17081	12.7
482.17545	0.9
522.68585	0.2
571.21039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52877	1.3
57.03441	1.9
57.21415	1.5
58.00583	1.6
59.01374	46.9
59.81901	1.3
61.98817	4.6
71.01376	40.4
71.51910	1.9
72.99305	2.1
73.02940	3.8
78.95869	1.7
82.73363	1.3
83.01373	3.2
85.02962	8.5
85.74509	1.3
87.00877	12.0
88.98807	4.5
89.02432	43.1
93.03445	5.0
95.01420	1.6
96.96011	12.2
99.00841	2.7
101.02436	25.1
105.69521	1.5
108.02178	1.6
113.02436	16.5
117.30282	1.4
119.03491	17.6
119.04968	3.0
121.02935	7.7
122.03738	13.2
123.04467	1.8
125.06081	2.2
131.03481	3.2
133.02979	2.4
135.04530	2.0
136.01643	2.8
137.02406	1.8
139.03996	2.1
143.03497	6.4
145.02942	12.5
146.03685	3.8
147.04532	5.2
149.02435	26.2
149.04440	2.0
150.03212	98.5
151.03815	2.5
161.02414	12.5
161.04539	5.6
162.03233	19.0
163.03973	2.0
164.04796	5.7
165.05556	99.1
166.05943	4.0
177.05511	10.6
179.05618	19.1
180.04251	11.1
181.04823	1.4
191.05637	4.1
195.06602	51.6
266.18405	1.4
285.07819	3.5
286.08490	3.7
287.09305	2.2
297.31564	1.5
301.10754	11.4
343.11700	2.3
357.11850	21.0
358.12387	1.3
361.12869	12.3
391.13876	1.5
451.78235	1.6
523.18146	100.0
524.18420	8.0
571.20660	38.7
572.20905	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
58.00577	1.5
59.01376	10.8
61.98837	0.9
69.03439	1.2
69.57761	2.2
71.01382	7.3
71.05025	0.4
72.99298	0.6
78.82442	0.5
83.01350	0.7
85.02943	1.5
87.00872	8.6
88.98792	1.8
89.02444	3.6
96.96009	3.3
97.02923	0.6
101.02439	2.1
107.05008	2.2
108.02173	6.1
109.02933	0.7
113.02448	2.1
119.03485	1.6
123.04514	0.9
133.06593	2.9
134.03706	0.6
135.04504	5.8
135.08171	2.6
135.11850	0.7
137.02377	0.5
139.07634	1.0
139.11281	1.1
141.12833	1.8
144.45784	0.5
150.03226	0.8
151.07681	0.7
152.04712	0.6
153.05487	0.7
153.12839	0.6
159.03035	0.5
161.02364	0.8
161.06084	1.0
165.12820	1.2
171.13882	5.2
179.07083	1.2
181.12292	0.9
183.13838	0.9
185.11803	22.9
186.12161	0.7
199.13376	14.5
209.11868	3.0
227.12862	9.3
228.13184	0.5
310.58939	0.7
311.09189	0.5
336.08698	0.5
441.41940	0.4
499.55127	0.4
518.26208	0.5
525.22925	0.5
571.23926	100.0
572.24335	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	571.2725
Annotation	Artoindonesianin U
Peak:m/z	Relative Intensity
59.01387	0.8
61.98824	6.0
67.74156	0.5
71.52761	0.5
78.95879	0.7
99.92580	13.4
100.93363	5.0
115.92068	100.0
116.92084	3.3
116.92866	5.2
132.92346	1.2
136.87550	0.6
287.48923	0.6
378.18488	0.5
471.34860	2.0
472.34634	0.6
571.27283	76.0
572.27679	11.5
585.25494	4.4
586.25427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.273
Annotation	Artoindonesianin U
Peak:m/z	Relative Intensity
61.98828	9.4
71.52269	1.0
80.53572	0.6
84.70547	0.8
96.96933	0.8
99.43723	0.6
99.92580	18.8
100.92701	1.4
100.93356	4.9
115.92072	100.0
115.97482	0.7
116.92062	2.7
116.92875	3.7
117.04449	0.6
132.92294	1.6
134.23021	0.8
212.79652	0.7
226.07874	0.7
471.34918	3.4
555.23907	1.6
556.25043	0.9
571.27252	88.2
572.27576	15.2
574.74792	0.7
585.25128	10.2
586.25708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	11.7
69.30488	3.8
69.30886	1.6
78.95866	0.7
86.80730	0.7
96.96935	0.8
99.92580	9.8
100.93388	4.8
115.92068	100.0
116.92062	3.4
116.92850	3.6
403.40121	0.7
471.34854	5.1
571.27246	72.2
572.27777	11.0
585.24884	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	571.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.4
58.00576	6.5
59.01376	54.1
61.98539	2.9
61.98829	37.7
65.03948	5.4
68.99561	92.1
71.01006	3.1
71.01376	35.2
71.53548	2.3
73.02934	19.0
83.01378	3.9
85.02942	9.1
87.00882	3.6
87.04424	1.8
88.98792	5.3
89.02438	16.2
95.01381	2.7
96.10391	1.7
99.00882	2.9
101.02431	27.1
107.05019	5.8
108.02164	26.6
109.02967	2.6
112.98560	97.9
113.02441	12.8
119.03455	3.7
119.04979	6.5
121.02962	3.5
123.04524	2.7
125.06061	3.0
127.03963	3.2
133.02983	8.6
134.03722	5.9
135.04520	37.5
139.04002	20.8
139.28865	1.7
143.03394	2.0
147.04483	7.5
150.03230	5.5
153.05565	4.9
161.02432	25.4
161.04475	3.7
165.05496	5.4
167.14400	6.4
171.59637	1.8
179.03450	5.6
179.05632	2.2
179.07083	3.4
179.14433	4.2
181.16087	1.7
183.13867	9.2
191.14354	5.9
195.13916	18.1
197.15407	7.2
199.13321	1.8
207.13870	4.2
209.15419	14.5
213.14941	100.0
214.15254	2.2
216.43762	2.0
217.06567	3.6
223.05974	3.1
223.16940	2.5
227.16486	29.9
237.14940	22.4
237.91522	1.7
241.07082	5.1
249.14946	4.3
255.16014	45.4
256.16293	2.3
267.15936	5.2
284.19415	2.0
297.09738	7.3
315.10678	12.1
383.56418	1.9
403.12262	7.4
474.11847	2.6
511.25369	5.6
571.16559	3.7
571.24554	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	571.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03790	0.4
59.01369	1.6
60.99322	0.5
61.98830	0.9
63.14296	0.4
65.03958	45.1
66.04279	0.6
69.03453	1.7
69.66708	2.4
71.01376	1.2
73.02953	0.4
75.67754	0.4
75.87587	0.4
81.03455	1.2
81.76017	0.4
85.02990	0.5
88.98794	1.9
89.02451	0.9
93.03454	7.1
95.05021	4.1
96.96018	1.4
101.02435	1.4
103.05536	0.6
106.04253	0.5
119.05035	3.6
121.06589	18.8
139.04004	90.3
139.75468	0.4
140.04359	2.3
144.32736	0.4
149.02466	0.4
150.03154	0.5
161.02428	0.6
164.77606	0.4
165.05551	22.9
166.05878	0.5
167.03474	0.6
183.06606	100.0
184.06912	2.6
217.05313	0.8
229.04662	0.5
523.18512	0.5
571.14703	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	571.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89928	0.6
59.01378	3.5
61.98824	9.3
65.03959	42.4
66.04301	0.9
69.03456	1.0
71.01356	2.0
71.52869	1.1
75.79926	0.8
81.03478	0.9
84.36201	0.8
88.98804	1.5
89.16036	0.7
93.03446	4.1
95.05024	2.3
96.96008	8.2
98.95582	0.7
101.02438	2.0
106.04192	0.7
106.82564	0.6
108.02110	1.6
113.02414	0.9
115.92093	1.2
116.92863	4.5
119.05006	3.1
121.02889	0.7
121.06581	17.0
123.04530	0.7
133.02951	1.0
135.04517	1.3
139.04005	46.5
140.04312	1.5
145.03056	0.7
150.03149	1.7
151.03949	1.2
156.36687	0.8
161.02425	3.8
165.05553	17.4
173.05992	1.4
179.03465	1.4
183.06609	100.0
184.06941	3.6
195.06653	1.3
208.52994	0.8
373.13083	4.7
374.13263	0.8
535.27197	0.7
571.25861	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	571.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92366	0.6
55.63202	0.6
59.01374	3.4
60.99310	0.8
61.98828	8.5
65.03961	44.5
65.28976	0.6
66.04288	1.0
69.03448	0.9
71.01382	2.1
71.51606	1.1
85.02937	1.0
88.98806	2.3
89.02449	1.0
91.05488	0.6
93.03458	4.0
95.05022	1.3
96.95997	10.4
99.92590	1.1
101.02427	1.8
108.02255	0.7
115.92064	1.5
116.92878	4.3
116.93588	0.7
119.05001	2.9
121.02939	0.9
121.06583	16.9
139.04005	51.2
140.04326	1.3
148.24602	0.7
150.03281	0.8
151.04012	0.9
161.02405	2.9
165.05556	16.7
173.06027	1.3
179.03505	1.0
183.06609	100.0
184.07027	3.1
208.29771	0.7
259.93243	0.7
265.07220	0.7
290.51093	0.9
327.12439	0.9
355.11765	1.3
373.12839	4.0
460.34171	0.7
509.55710	0.8
535.27789	2.1
571.11243	1.2
571.25891	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	571.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03790	0.4
59.01369	1.6
60.99322	0.5
61.98830	0.9
63.14296	0.4
65.03958	45.1
66.04279	0.6
69.03453	1.7
69.66708	2.4
71.01376	1.2
73.02953	0.4
75.67754	0.4
75.87587	0.4
81.03455	1.2
81.76017	0.4
85.02990	0.5
88.98794	1.9
89.02451	0.9
93.03454	7.1
95.05021	4.1
96.96018	1.4
101.02435	1.4
103.05536	0.6
106.04253	0.5
119.05035	3.6
121.06589	18.8
139.04004	90.3
139.75468	0.4
140.04359	2.3
144.32736	0.4
149.02466	0.4
150.03154	0.5
161.02428	0.6
164.77606	0.4
165.05551	22.9
166.05878	0.5
167.03474	0.6
183.06606	100.0
184.06912	2.6
217.05313	0.8
229.04662	0.5
523.18512	0.5
571.14703	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	571.2879
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
56.17321	1.3
61.98828	7.1
68.74494	1.1
76.38812	1.2
77.98788	1.2
78.95898	53.4
96.96954	13.1
98.19910	3.6
152.99574	52.7
153.00830	2.4
210.60643	1.1
223.00056	2.5
241.01147	26.4
255.23265	63.8
256.23444	1.8
267.10391	1.2
279.23349	1.9
315.04785	6.6
391.22437	4.2
407.11963	1.2
409.23352	1.6
571.28802	100.0
572.29272	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	571.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	37.6
61.98827	6.2
67.80492	0.5
69.03437	0.5
69.15274	1.2
69.15686	4.7
71.01365	2.6
73.02946	0.7
73.23692	0.6
78.95898	0.9
80.02676	0.7
81.03445	0.8
83.01382	0.7
83.05026	4.1
84.02140	0.6
89.02451	1.1
95.05010	0.6
101.02454	1.2
113.02444	0.8
133.02960	0.8
135.04491	1.4
152.01192	0.8
153.42953	0.5
159.15430	0.6
161.02422	1.5
163.11273	2.9
165.12849	2.1
171.10260	5.4
173.09764	0.6
179.03529	1.2
191.10855	0.7
194.60732	0.5
209.11810	100.0
210.12178	3.6
227.10736	1.1
227.12862	11.8
247.13542	1.2
265.14413	0.8
275.19998	1.0
281.06464	0.8
401.23334	0.6
431.24387	0.7
437.25235	1.4
475.26758	1.1
493.28146	1.6
508.16974	1.8
571.33710	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00388	0.1
59.01369	0.3
59.70050	0.1
61.11231	0.1
61.98826	100.0
69.28539	0.6
70.12619	0.1
70.13025	0.1
73.98487	0.1
75.71501	0.1
91.66544	0.1
114.93356	0.1
116.92876	0.3
133.02917	0.1
140.88593	0.1
159.20689	0.1
161.02448	0.2
179.03502	0.1
182.51004	0.1
211.13432	0.1
224.32588	0.1
316.73996	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	573.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85828	1.3
57.02751	1.2
59.01377	10.1
63.34429	1.1
65.03960	27.4
65.69435	1.2
65.70226	1.3
66.85697	1.4
69.03448	5.7
71.01392	7.6
71.50211	1.6
71.50621	2.4
73.02944	2.3
83.01385	1.7
85.02946	3.4
89.02452	3.1
91.85313	1.3
93.03462	4.2
95.01434	1.4
101.02415	7.2
113.02451	3.9
119.03415	1.4
119.05022	3.7
121.06602	14.0
122.06971	1.3
139.04004	36.0
139.19659	1.4
145.36998	1.4
165.05568	19.7
176.24599	1.2
183.06599	24.4
185.01750	1.4
189.82120	1.4
190.34764	1.2
209.04552	6.2
220.69901	1.4
227.05595	2.9
283.99893	1.4
299.78174	1.5
300.42157	1.3
345.11862	25.0
389.10861	100.0
390.11310	4.7
483.15387	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.3
65.03956	30.5
69.03451	6.9
69.42495	9.9
71.01375	12.2
73.02950	2.9
83.01397	2.1
85.02946	3.9
89.02451	5.8
93.03452	4.1
94.98177	1.2
95.05035	2.9
96.96005	2.8
99.00859	2.4
101.02435	6.3
105.04503	1.4
113.02430	4.2
119.03493	2.2
119.05022	4.0
121.06577	15.3
139.04001	41.9
147.04552	1.4
148.06039	1.5
165.05545	26.0
183.06580	28.0
206.41217	1.3
209.04503	6.9
227.05560	2.3
345.08017	2.4
345.11887	28.9
375.13391	2.1
389.10855	100.0
390.11267	6.2
548.62408	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74511	0.5
59.01378	10.5
61.75636	0.5
61.98812	3.5
69.59693	2.0
69.60097	1.2
71.01362	3.7
73.02929	0.9
83.01363	0.7
85.02901	0.8
87.00854	0.8
89.02426	3.3
89.04009	0.5
97.02876	0.6
97.06484	0.5
98.19974	1.1
101.02441	2.9
105.03435	0.9
107.04976	0.6
107.49457	0.6
109.02948	1.6
111.00853	0.7
113.02425	2.0
121.02939	1.3
123.04500	1.1
132.02142	2.6
133.02942	36.2
134.03746	9.4
135.04515	53.6
136.04823	1.7
137.02443	5.2
139.04010	1.0
145.02983	0.6
148.05284	2.5
149.06079	9.3
150.03258	0.9
151.03976	0.7
152.99979	0.5
160.01711	1.0
161.02422	100.0
162.02774	3.4
175.04012	1.3
176.04597	0.6
177.05542	18.3
178.02716	2.9
179.03479	74.3
180.03790	2.4
181.05025	0.9
189.05646	0.8
203.03508	7.7
204.04170	1.0
207.06648	0.7
221.04518	33.9
222.04903	1.5
233.04578	1.8
251.05568	21.1
252.05898	1.0
281.06635	38.5
282.06967	1.0
311.07587	0.6
323.07553	3.1
340.07837	3.8
341.08713	70.0
342.09128	3.4
349.26892	0.5
366.28000	0.6
397.75150	0.6
411.16437	1.4
475.12384	9.3
476.13181	30.1
477.13553	3.1
573.19696	37.0
574.20013	4.1
574.32483	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
58.00589	0.4
59.01377	11.7
60.99300	2.6
61.98826	0.5
67.87916	0.2
69.35787	1.2
69.36184	0.4
71.01377	5.4
72.97057	0.2
72.99317	0.4
73.02940	0.3
77.03981	0.3
83.01383	0.6
85.02935	1.2
87.00871	0.5
88.98801	17.8
89.02444	5.4
89.99165	0.2
95.01396	0.4
96.96018	0.3
97.06545	0.2
99.00880	0.5
101.02436	3.1
105.03445	0.4
113.02438	2.1
115.01919	0.2
117.03466	0.4
119.03504	2.0
121.02962	0.3
132.02151	2.0
133.02950	29.2
134.03676	0.7
135.04521	5.5
137.02449	0.3
146.03757	0.3
147.04538	0.3
149.06071	0.8
158.03738	0.2
159.04500	0.7
160.01625	0.2
161.02431	100.0
162.02785	3.3
172.05228	0.4
173.06055	1.5
174.06764	0.2
177.05510	1.3
179.03476	4.1
181.05122	0.3
187.04021	0.7
187.07634	6.2
188.08054	0.3
189.94995	0.2
201.05542	1.4
202.06342	9.4
202.08247	0.4
203.06781	0.4
203.10777	0.5
213.09264	0.4
216.07918	0.8
221.04497	1.2
231.10223	7.8
232.10437	0.3
232.44119	0.2
240.55666	0.2
249.11301	0.3
251.05592	0.7
281.06665	1.2
329.00128	0.2
341.08688	0.3
365.20859	0.2
382.12857	0.4
393.15411	0.4
411.16565	9.7
412.16907	0.7
555.18549	1.8
556.19287	0.3
573.19702	54.9
574.20050	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	573.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74289	0.2
59.01376	10.5
60.19731	0.3
61.98824	1.8
63.62476	0.3
68.78749	0.3
69.67204	1.6
71.01369	5.1
72.99312	0.5
73.02959	0.5
83.01376	0.6
83.91302	0.3
84.55496	0.3
85.02959	1.5
85.19112	0.3
87.00873	0.3
88.98816	0.3
89.02441	3.7
90.73816	0.3
97.06532	0.3
98.19961	0.4
101.02433	3.5
105.03458	0.7
109.02967	0.5
113.02443	2.1
117.03481	0.6
119.03490	1.2
123.04502	0.3
132.02161	2.0
133.02950	30.1
134.03532	0.6
135.04520	8.7
137.02374	0.4
146.03694	0.5
148.05177	0.4
149.06071	0.8
151.03964	0.5
153.74561	0.3
159.04494	1.1
161.02431	100.0
162.02766	3.2
170.91743	0.3
173.06052	1.0
175.04088	0.5
176.04765	0.3
177.05525	1.1
178.02641	0.3
179.03476	6.4
187.02541	0.3
187.03958	1.5
187.07639	3.5
196.71150	0.3
201.05522	1.2
201.08943	0.4
202.06335	5.7
203.03680	0.6
203.06743	0.3
203.10803	1.2
213.09113	0.4
216.07867	1.2
221.04552	1.2
231.10210	8.4
232.10512	0.5
233.04597	0.3
249.11076	0.5
251.05685	0.7
252.71962	0.3
281.06625	0.9
341.08783	0.6
393.15219	0.6
411.16553	9.4
412.17142	0.7
475.12442	0.4
476.13235	0.4
537.80298	0.3
555.18854	1.6
573.19708	54.2
574.20056	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	573.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41691	0.2
57.03432	0.2
58.00578	0.2
59.01374	5.7
61.98827	10.5
68.99899	0.2
71.01376	3.9
73.02942	0.5
77.03961	0.2
85.02953	1.3
87.00859	0.2
89.02443	2.4
89.03957	0.4
95.01377	0.4
95.05057	0.2
97.06600	0.2
101.02429	1.8
103.91040	0.2
105.03464	0.8
107.05050	0.3
113.02458	1.7
115.01906	0.2
117.03482	0.5
119.03500	0.5
121.02970	0.4
132.02171	1.9
133.02950	35.0
134.03679	1.3
135.04517	21.7
136.04828	0.7
137.02426	0.4
145.03046	0.2
146.03671	0.4
147.04523	0.3
149.06039	0.2
159.04523	0.8
161.02429	100.0
161.80644	0.2
162.02773	3.6
172.05293	0.4
173.06088	0.6
174.06950	0.2
175.03957	0.6
175.07603	0.3
177.05563	0.6
178.02596	0.2
179.03485	15.9
180.03802	0.4
187.03996	0.4
187.07625	3.5
189.05620	0.2
190.06357	0.3
201.05554	1.0
202.06331	5.2
203.03506	1.4
203.06842	0.3
203.10744	0.3
213.09181	0.3
216.07837	0.3
219.10181	0.3
220.07384	0.5
221.04503	0.8
231.10236	3.8
249.11305	0.8
281.06552	0.3
311.91690	0.2
323.07687	0.2
341.08798	0.6
364.11523	0.3
389.74930	0.2
391.13739	0.2
393.15558	1.2
411.16547	3.9
412.16794	0.3
476.13174	0.4
529.17462	0.2
529.26099	0.3
555.18695	2.2
573.19708	67.6
574.20032	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	573.198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	0.6
59.01376	9.0
61.98829	0.8
69.48423	1.8
69.48829	0.8
71.01377	4.8
72.99287	0.4
73.02943	0.8
83.01379	0.5
83.45235	0.4
85.02927	2.2
87.00884	0.8
89.02453	3.3
95.01398	0.6
101.02423	3.1
105.03466	0.7
113.02447	1.6
117.03480	0.8
119.03507	1.2
130.05496	0.4
132.02116	2.1
133.02948	36.2
134.03682	1.7
135.04515	22.3
136.04785	0.6
139.04102	0.4
146.03775	0.5
147.04480	0.6
148.05240	0.6
149.06070	0.8
159.04543	0.7
160.01566	0.4
161.02428	100.0
162.02754	3.4
168.78302	0.4
173.06018	0.6
174.06744	0.5
177.05521	1.5
179.03482	15.3
180.03902	0.6
187.03976	1.3
187.07649	0.5
202.06387	0.9
203.03448	1.4
203.10774	1.7
213.09200	0.8
216.07895	1.6
221.04614	2.5
231.10222	6.4
249.11301	0.7
251.05536	1.1
281.06638	1.9
297.93384	0.5
323.07458	0.6
327.95071	0.4
341.08673	4.6
393.15488	1.8
411.16602	6.3
412.17111	0.5
475.12296	1.5
476.13193	2.7
555.19000	0.9
573.19702	75.8
574.20026	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	573.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91697	0.3
53.32489	0.2
57.22795	0.3
59.01375	6.9
60.99303	0.3
61.98824	3.3
68.89760	0.3
68.99568	3.1
71.01378	3.7
73.02945	1.0
83.01378	0.5
85.02934	1.6
87.00874	0.9
88.98805	0.9
89.02442	2.7
89.03951	0.4
93.03452	0.7
95.01353	0.3
95.05007	0.4
99.00896	0.6
101.02425	2.3
105.03441	0.8
107.05033	0.5
108.02180	0.5
109.02959	0.7
112.98563	3.0
113.02446	2.3
116.92781	0.3
117.03455	0.6
119.03483	1.3
123.04529	0.6
128.90169	0.4
132.02159	2.6
133.02950	38.6
134.03772	3.3
135.04512	21.7
137.02455	3.6
139.04042	0.4
148.05315	0.7
149.06009	1.7
150.03215	0.5
159.04552	0.4
161.02429	100.0
162.02774	3.3
163.04045	0.8
175.03857	0.6
176.04863	0.5
177.05515	3.2
178.02695	0.9
179.03481	21.2
180.03795	0.7
188.04742	0.4
191.10800	0.8
203.03496	3.4
203.10756	1.6
204.04207	0.5
207.06592	0.3
221.04585	3.1
231.10219	1.5
233.04617	0.7
243.06677	0.5
249.11273	0.4
251.05536	2.4
281.06610	5.3
294.07672	0.5
298.13474	0.3
323.07660	0.8
340.08096	0.7
341.08752	10.7
393.15421	0.5
411.16534	4.8
412.16888	0.4
475.12604	2.0
476.13193	10.3
477.13260	0.8
573.19714	59.9
574.20007	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	573.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
55.50235	0.6
57.03442	1.5
59.01380	11.3
61.98830	7.6
65.03960	58.5
66.04272	0.8
67.01909	1.0
68.99797	4.9
69.03457	13.6
69.36289	4.8
71.01380	14.7
71.01780	0.7
71.05015	1.2
72.39468	0.6
72.99316	1.0
73.02931	4.6
79.05538	0.9
81.03459	2.1
83.01394	3.0
83.05030	1.2
85.02951	5.4
87.00875	1.6
87.20296	0.7
88.98746	0.8
89.02434	5.9
91.05538	1.0
93.03456	8.5
95.01385	1.2
95.05023	7.2
96.95985	3.3
97.02966	1.6
97.06573	1.1
99.00879	4.9
99.04515	21.9
101.02431	9.7
102.89022	0.6
103.05535	2.5
105.78630	0.6
106.04234	2.5
107.05013	1.5
109.03008	0.8
109.06611	1.1
113.02429	6.0
113.06093	2.0
116.92855	1.3
119.03517	1.7
119.04998	5.5
121.02943	1.0
121.06594	32.6
135.04485	1.1
137.02379	0.7
137.06026	1.5
138.48300	0.7
139.04007	100.0
139.07645	2.8
140.04346	2.4
141.05586	2.1
143.03476	0.9
147.04501	1.5
153.09094	0.7
161.02408	1.4
161.04596	1.8
163.06215	0.7
163.07623	1.4
165.05554	39.6
166.05882	1.4
179.03452	0.7
181.05087	1.0
181.12456	0.7
183.06612	37.7
183.10205	10.3
184.06905	1.3
197.11838	0.9
207.06604	1.4
209.04539	50.3
210.04787	1.4
225.07689	1.0
225.11333	1.9
227.05582	4.3
230.16734	0.8
301.12949	1.8
327.10757	2.3
345.11877	31.7
346.12323	1.9
371.09839	1.4
389.10886	43.1
390.11169	2.1
409.15222	0.7
427.16010	9.3
471.14990	12.4
472.14844	0.8
511.21793	21.1
511.29187	1.5
512.22003	2.3
513.23492	0.8
529.22797	1.5
555.20770	37.5
556.20752	4.1
573.21777	28.3
574.22083	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	573.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	10.4
61.98593	0.4
61.98829	3.9
65.03959	46.8
66.04294	1.4
69.03452	1.8
69.40082	3.4
71.01376	5.6
72.99302	0.4
73.02929	0.9
76.41643	0.5
83.01338	0.4
85.02943	1.6
87.00873	0.7
88.98785	0.7
89.02444	5.6
93.03443	3.5
94.58804	0.4
94.98077	1.3
95.03107	0.4
95.05033	2.8
96.96000	13.1
99.92569	0.5
101.02439	4.5
107.04962	0.5
108.02121	0.4
113.02424	2.2
115.92054	1.0
116.92835	4.3
117.03394	0.5
118.13505	0.4
119.03493	2.2
119.05029	3.9
121.05706	0.9
121.06584	16.6
122.07002	0.5
129.01894	0.7
137.02415	0.7
139.04004	54.0
140.04324	1.0
143.03484	1.0
145.02934	1.1
149.02449	0.8
150.03175	0.8
161.02432	0.9
163.03975	1.3
164.06461	0.5
165.05551	16.1
166.02763	0.7
166.05855	0.7
179.05664	1.1
181.05064	1.3
183.06604	100.0
184.06940	4.7
185.07143	0.8
205.08725	0.6
225.11255	0.9
229.08636	0.7
242.92761	0.4
242.96014	0.5
268.65878	0.4
279.84464	0.5
355.11832	0.5
357.10873	0.6
373.12912	1.3
374.13263	0.7
376.00409	0.6
411.12912	0.9
573.26074	7.9
574.19183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23311	0.2
59.01382	4.0
59.01690	0.3
61.98827	100.0
68.99564	0.2
69.31778	0.6
69.32204	0.8
71.01391	1.3
71.94746	0.2
73.02935	0.3
82.71572	0.2
83.01388	0.4
85.02972	0.4
87.00891	0.2
88.98801	0.9
89.02433	0.8
98.20743	0.2
101.02442	0.7
113.02460	0.5
118.85178	0.2
119.03489	0.3
126.89468	0.2
132.02202	0.3
133.02960	5.6
134.03215	2.0
135.04530	4.4
136.04837	1.3
137.02440	0.6
149.06110	0.3
161.02437	14.7
162.02769	5.4
163.04068	0.2
165.08925	0.2
175.03899	0.2
177.05562	0.9
178.02676	0.3
178.05891	0.2
179.03500	4.2
180.03819	1.7
184.14751	0.2
203.03490	0.9
204.03893	0.3
213.14912	0.2
221.04541	1.2
222.04890	0.7
251.05585	0.7
252.05945	0.5
281.06763	1.1
282.06976	0.8
334.12195	0.2
337.63898	0.2
341.08749	2.4
342.09015	2.3
412.16702	0.4
475.12549	0.3
476.12933	1.3
477.13452	2.5
515.32428	0.8
531.27887	0.8
533.33313	0.3
574.20038	9.4
574.29889	0.3
574.33752	0.4
575.20319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
61.98827	100.0
62.98527	0.1
67.49792	0.1
71.01376	0.1
95.63943	0.1
133.02934	0.1
135.04529	0.1
160.31232	0.1
161.02481	0.3
179.03456	0.1
184.70126	0.1
190.67436	0.1
213.32266	0.1
213.48134	0.1
340.86447	0.1
369.26663	0.1
370.27060	0.2
514.27551	0.1
558.24176	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	575.14
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87607	0.4
55.01876	4.1
57.90743	0.4
59.01379	0.9
61.98837	2.6
65.03965	0.4
67.01892	0.6
69.03452	100.0
70.03805	0.7
71.01379	1.7
71.29760	0.5
72.99321	1.9
73.41518	0.4
76.55468	0.4
79.01888	5.8
81.27048	0.4
85.02965	1.9
95.01384	3.3
97.02943	18.9
99.00874	26.8
101.02445	0.6
113.02432	0.8
121.02928	0.4
123.00917	1.5
134.03703	2.2
141.01942	12.5
149.02487	0.5
149.06126	0.6
150.03214	1.8
161.02437	0.5
165.05481	2.0
178.02696	0.9
185.00899	75.7
185.79121	0.4
186.01227	1.5
193.05046	2.6
195.06602	1.2
286.21262	0.4
521.16797	0.5
575.13873	4.8
576.14178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.8
59.01361	0.9
61.98829	1.2
65.03951	1.0
66.49951	0.3
66.91703	0.4
67.01864	1.0
68.18893	0.3
69.03452	100.0
70.03796	1.5
71.01370	3.1
72.99317	1.8
78.95904	0.6
79.01888	5.1
85.02954	2.1
87.04506	1.3
89.02468	0.6
95.01376	2.9
97.02944	18.9
99.00878	25.5
101.06084	0.5
105.37675	0.4
113.02440	0.8
119.95895	0.4
121.06606	0.5
123.00874	1.1
134.03732	1.8
139.04028	1.2
141.01941	9.2
149.02425	1.0
149.06068	0.5
150.03215	1.7
152.99557	0.9
161.02496	0.4
165.05569	1.5
169.88689	0.4
178.02759	0.7
183.06621	0.5
185.00908	70.5
186.01218	1.4
193.05074	2.1
195.06624	0.4
209.11845	1.4
220.01729	0.3
267.49808	0.4
292.52493	0.4
341.10287	0.5
389.12054	0.4
415.16223	1.0
459.15186	3.3
465.40683	0.4
575.13257	4.0
575.21124	1.5
576.14264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92638	1.9
65.03957	37.1
71.76917	1.8
76.91219	1.7
78.95901	2.6
79.53890	1.8
87.38777	1.8
89.02482	1.7
93.03467	3.7
96.95977	4.1
96.96957	2.6
113.40073	1.8
119.05020	3.1
120.01283	1.8
121.06594	13.2
121.52514	2.0
139.04008	43.4
140.04433	1.9
165.05600	13.9
183.06602	100.0
184.06937	2.8
229.47025	2.3
552.31958	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	575.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68929	0.8
55.01866	2.8
59.01379	15.9
78.25683	0.8
82.76574	0.8
83.01382	62.9
84.01720	0.8
88.01317	0.8
91.37055	0.8
93.03444	3.5
98.20656	2.1
115.06100	0.8
117.92387	0.9
121.02949	39.1
122.03741	1.0
123.00844	2.2
135.04506	2.2
136.01677	1.3
136.05284	21.3
136.06259	1.7
138.03246	1.3
147.81255	0.8
147.96291	0.8
151.03972	1.9
153.80992	0.9
164.04709	0.9
166.60446	0.8
167.41338	0.9
168.04272	5.2
170.16057	0.9
234.41885	0.9
234.49078	0.8
235.09703	2.2
236.92516	1.1
356.12637	41.7
357.12988	2.7
371.14948	100.0
372.15311	5.2
544.50311	1.1
556.57141	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09140	0.2
58.00603	0.3
58.71894	0.2
59.01377	14.7
60.26039	0.3
61.98820	1.1
62.68583	0.3
69.43597	0.2
71.01379	2.9
73.02930	0.8
82.60172	0.3
83.01369	0.3
85.02947	0.9
87.00849	0.3
89.02443	2.6
95.63374	0.2
98.20682	0.7
99.00824	0.3
101.02427	3.2
113.02430	1.2
119.03465	1.0
133.05011	0.4
143.03450	0.4
161.04549	1.0
179.05653	0.3
235.08232	1.4
253.09271	13.3
254.09491	0.5
261.22418	0.3
277.21591	0.6
279.23264	100.0
280.23602	5.8
291.23367	0.4
544.83923	0.3
589.14996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87563	3.7
61.98830	100.0
69.16814	30.8
69.17221	9.8
98.19935	7.7
193.49355	4.7
569.09100	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	576.302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79627	0.1
61.98827	100.0
62.98531	0.2
63.96238	0.2
69.29268	0.8
69.29678	0.3
69.42464	0.2
71.01377	0.7
78.98600	0.6
79.95755	0.8
80.96514	5.8
85.02948	0.2
87.00908	0.2
94.98082	1.7
96.23705	0.1
101.02477	0.2
104.92691	0.1
106.98088	0.2
122.97558	0.2
125.02443	0.3
134.97612	0.4
148.99158	0.5
152.98634	0.5
164.98621	1.0
206.99728	0.2
225.00740	1.3
277.21725	0.4
278.22137	0.3
280.22525	0.2
299.04391	0.2
549.55817	0.2
577.26855	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	576.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
71.01379	0.9
78.98567	0.8
79.95715	1.0
80.96511	6.8
87.00877	0.4
92.18312	0.2
94.98078	1.8
106.98093	0.3
122.97539	0.3
125.02456	0.3
134.61017	0.1
134.97598	0.4
136.99121	0.2
148.99162	0.7
150.00583	0.2
152.98613	0.5
158.09065	0.1
164.98618	1.1
170.01622	0.2
181.51384	0.2
206.99681	0.2
225.00696	1.4
277.21716	0.2
278.22195	0.5
279.22409	0.3
299.04337	0.4
329.14322	0.2
497.80942	0.2
577.26782	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	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34655	0.5
59.01376	25.7
61.98827	2.4
71.01392	0.5
71.06579	0.9
73.61317	0.4
78.95904	27.9
96.96957	0.6
122.98551	0.4
123.62534	0.5
152.99591	4.5
168.04280	3.4
224.06923	11.0
242.07986	3.0
259.20700	0.6
277.21701	100.0
278.22046	6.0
365.31696	0.6
502.29379	93.3
503.29770	8.9
576.30798	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.7
59.87717	0.4
61.98825	2.0
73.39671	0.4
78.95895	7.6
79.05674	0.3
84.77248	0.3
152.75220	0.3
152.99548	2.2
158.80397	0.3
168.04308	1.8
197.89664	0.4
204.31451	0.3
224.06912	1.2
233.22728	0.6
242.07942	3.2
259.20633	0.3
277.21695	100.0
278.22015	5.5
502.29355	42.0
503.29697	3.3
570.64526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.7
60.99306	17.0
61.98826	1.8
70.60197	1.1
71.01382	3.3
72.99301	0.4
73.02940	0.6
85.02946	1.5
88.00443	0.4
88.98801	100.0
89.02430	4.4
89.58729	0.3
89.99112	0.7
101.02471	1.9
113.02443	1.5
119.03490	1.3
133.02937	2.9
135.04497	1.4
145.02924	0.6
161.02429	7.2
161.04501	0.6
163.03963	0.5
179.03474	0.7
187.07509	0.4
212.82179	0.4
265.76663	0.5
316.42526	0.4
364.74524	0.4
373.12421	0.4
373.16620	0.8
517.26379	1.4
535.27490	1.6
555.20227	0.5
577.19409	3.8
577.28833	1.7
578.20093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66122	0.5
55.01881	0.6
57.03442	0.8
58.19222	0.5
59.01376	25.1
61.54193	0.5
61.98812	1.2
65.03960	47.9
66.04318	0.7
69.03455	7.4
70.03784	1.2
71.01013	0.9
71.01381	12.7
72.52852	0.5
72.99286	0.9
73.02939	5.4
81.03431	0.7
83.01368	1.4
85.02940	3.9
87.00856	1.3
89.02441	9.4
93.03470	3.7
95.01360	1.2
95.05017	2.3
96.28999	0.6
97.02941	2.0
98.19905	0.9
99.00857	1.8
101.02442	9.4
106.04240	0.7
113.02435	8.2
119.03535	2.9
119.04990	3.2
121.06594	16.9
122.06931	0.6
125.02445	0.9
131.03445	0.8
135.04478	0.5
139.04004	55.0
140.04335	1.5
143.03458	1.3
149.04514	1.2
161.02417	0.7
161.04533	1.7
163.71007	0.5
165.05551	17.1
178.33696	0.5
179.03378	0.5
179.05609	1.9
183.06602	100.0
184.06947	2.9
185.00914	3.7
186.01227	1.8
187.01395	1.5
219.87785	0.5
229.48259	0.6
237.74240	0.6
287.82327	0.6
388.01080	0.5
391.13412	0.6
448.53989	0.5
517.26599	8.5
518.26794	0.7
521.16895	0.5
529.06207	0.8
535.27563	5.9
577.28802	0.8
578.14594	0.6
585.39557	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19416	0.4
59.01369	0.8
61.98827	36.8
62.98525	0.6
63.96241	1.2
70.26508	1.0
71.01380	6.6
73.02944	1.7
78.98587	5.2
79.95731	8.8
80.53285	0.4
80.96513	64.7
81.03465	0.6
85.02946	2.7
87.00879	2.4
87.01331	0.4
94.98082	14.5
96.95978	0.9
97.02941	1.2
99.00860	0.5
101.02444	2.3
106.98104	3.0
122.97578	4.2
125.02439	2.3
127.03989	0.8
134.97581	4.4
136.99144	1.2
148.99104	6.0
149.00183	0.6
152.98627	6.1
164.98613	11.1
182.99734	1.0
206.94684	0.5
206.99626	3.3
225.00723	15.4
238.91054	0.4
277.21704	1.7
282.32431	0.5
299.04337	3.0
305.46103	0.4
577.26819	100.0
578.27136	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	577.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66932	0.2
55.01875	1.0
57.03438	1.1
58.00589	2.2
59.01375	100.0
60.01716	0.9
61.98833	0.7
62.03015	0.2
65.03967	0.3
68.67690	0.2
69.03461	2.4
69.35163	0.5
69.35568	1.6
69.40227	0.2
70.03796	0.4
71.01377	48.1
72.01714	0.5
72.99302	2.8
73.02942	10.9
75.00869	0.6
79.01862	0.3
81.03430	0.3
83.01387	4.2
85.02946	10.3
87.00869	2.6
89.02438	38.9
90.02773	0.3
94.98121	0.3
95.01382	3.5
96.01701	0.2
97.02961	1.2
99.00871	1.8
99.04526	0.4
101.02435	25.7
102.02795	0.4
111.00787	0.3
113.02443	27.7
114.02747	0.3
119.03491	15.2
121.06547	0.3
122.74814	0.2
125.02402	0.9
131.03493	3.1
135.04457	0.2
141.01964	0.2
143.02458	0.3
143.03490	5.0
149.04536	2.2
155.03398	0.4
161.02405	0.6
161.04538	7.4
165.05504	0.5
179.05608	8.8
183.06575	0.3
185.00868	1.6
185.71892	0.3
186.01189	0.3
187.01375	0.4
191.05597	0.4
221.06543	0.3
253.29448	0.3
302.72055	0.2
354.07025	0.3
355.20956	0.9
473.02740	0.3
484.44235	0.3
517.26477	30.2
518.26825	3.1
535.27533	21.6
535.36194	0.3
536.20593	0.3
536.27789	2.4
577.28546	4.1
578.28424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66932	0.2
55.01875	1.0
57.03438	1.1
58.00589	2.2
59.01375	100.0
60.01716	0.9
61.98833	0.7
62.03015	0.2
65.03967	0.3
68.67690	0.2
69.03461	2.4
69.35163	0.5
69.35568	1.6
69.40227	0.2
70.03796	0.4
71.01377	48.1
72.01714	0.5
72.99302	2.8
73.02942	10.9
75.00869	0.6
79.01862	0.3
81.03430	0.3
83.01387	4.2
85.02946	10.3
87.00869	2.6
89.02438	38.9
90.02773	0.3
94.98121	0.3
95.01382	3.5
96.01701	0.2
97.02961	1.2
99.00871	1.8
99.04526	0.4
101.02435	25.7
102.02795	0.4
111.00787	0.3
113.02443	27.7
114.02747	0.3
119.03491	15.2
121.06547	0.3
122.74814	0.2
125.02402	0.9
131.03493	3.1
135.04457	0.2
141.01964	0.2
143.02458	0.3
143.03490	5.0
149.04536	2.2
155.03398	0.4
161.02405	0.6
161.04538	7.4
165.05504	0.5
179.05608	8.8
183.06575	0.3
185.00868	1.6
185.71892	0.3
186.01189	0.3
187.01375	0.4
191.05597	0.4
221.06543	0.3
253.29448	0.3
302.72055	0.2
354.07025	0.3
355.20956	0.9
473.02740	0.3
484.44235	0.3
517.26477	30.2
518.26825	3.1
535.27533	21.6
535.36194	0.3
536.20593	0.3
536.27789	2.4
577.28546	4.1
578.28424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09367	0.7
55.01876	0.8
57.03437	1.2
59.01376	100.0
61.98828	7.0
64.26731	0.7
69.91756	0.7
69.92081	3.2
71.01368	8.2
72.99282	0.7
73.02944	3.4
73.37301	0.6
83.01365	4.4
85.02944	7.0
88.98832	1.1
89.02448	6.7
95.01388	1.6
95.71373	0.7
98.19955	1.4
99.00873	1.4
101.02454	7.3
111.00894	0.8
113.02442	4.6
116.92926	1.0
118.17316	0.7
125.02487	1.4
148.73378	0.6
149.82475	0.7
159.02948	0.8
161.04553	1.2
195.90091	0.7
202.50368	0.6
283.26559	2.8
294.23169	0.8
294.49716	0.7
329.30804	2.1
447.28897	0.8
473.34763	40.8
474.35144	3.7
487.34158	1.0
491.35852	24.3
492.36530	2.6
533.36774	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
56.24447	0.7
57.03445	1.4
57.74938	0.7
59.01379	100.0
61.98824	6.2
69.98147	3.6
71.01380	13.3
73.02957	4.2
83.01366	3.4
85.02942	6.2
89.02435	1.8
99.00880	1.8
101.02432	8.1
113.02444	6.1
115.04033	1.1
143.03517	1.5
159.02997	1.1
161.04530	2.7
212.82590	0.8
327.73663	0.8
329.30606	1.3
374.48077	0.7
386.48593	0.8
433.44693	0.8
473.34799	30.2
474.34952	2.3
480.21356	0.8
491.35818	20.1
492.36066	1.7
533.36877	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	578.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88538	0.3
57.70723	0.4
70.68874	0.5
70.69236	0.7
70.89040	0.3
98.87836	0.3
101.69267	0.4
102.03440	0.4
105.92699	0.4
144.04544	100.0
145.04892	3.5
154.23291	0.3
159.03253	1.1
188.03514	52.1
189.03830	1.9
294.08902	0.4
371.46286	0.4
551.46967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.98826	100.0
71.01383	0.7
77.90335	0.2
78.98577	0.3
79.95757	0.7
80.82948	0.2
80.96513	5.5
85.02934	0.3
87.00948	0.3
88.88641	0.2
94.98083	1.4
101.02444	0.3
111.56815	0.2
122.97633	0.3
125.02462	0.4
134.97540	0.3
145.02951	0.4
146.07259	0.2
148.99178	0.6
152.98680	0.5
161.02359	0.2
164.98647	1.2
180.75235	0.2
193.26463	0.2
209.11932	0.3
210.12323	0.2
225.00679	1.6
229.51335	0.2
279.23285	0.5
280.23636	0.5
281.24054	0.2
299.04349	0.2
334.12433	0.4
357.13098	0.2
579.28369	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	579.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	25.1
70.60406	0.6
70.60742	0.6
70.74232	0.3
71.01380	2.4
72.34367	0.3
73.02943	1.2
83.01361	0.3
85.02953	1.1
93.03474	0.6
99.00877	0.5
101.02431	1.1
108.02139	0.6
109.02935	0.7
110.58466	0.3
113.02473	1.6
121.02939	3.2
122.03732	1.3
123.00916	0.5
123.04478	0.5
134.03716	0.5
136.01654	36.1
137.02505	1.7
148.25105	0.3
149.06053	0.4
151.03996	65.2
152.04343	1.6
158.03656	0.6
159.03094	0.5
159.04439	0.7
160.05295	0.8
161.04558	3.7
161.05914	0.5
162.03227	0.5
163.04007	1.0
173.06076	0.4
175.04004	0.5
175.07591	1.4
177.05592	0.9
179.03482	0.6
180.14232	0.3
190.06378	0.5
203.07176	0.5
223.86064	0.3
266.06061	0.5
266.09451	0.5
267.06647	1.1
281.08093	1.2
282.08896	0.9
296.10403	1.6
297.11267	2.7
311.42642	0.3
327.08820	0.4
327.12317	0.8
342.11063	9.4
357.13388	100.0
358.13742	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	579.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45858	0.4
59.01377	29.9
59.72547	0.4
68.01564	0.3
69.18651	4.0
69.19041	0.7
69.34562	0.4
71.01380	2.8
71.72538	0.5
73.02927	1.2
75.81382	0.3
85.02955	1.6
86.23576	0.4
87.04237	0.4
93.03472	0.8
98.19884	0.8
101.02469	2.1
108.02225	0.4
109.02955	0.7
113.02440	1.2
121.02939	3.7
122.03709	2.1
123.00885	0.7
123.04498	0.5
123.87254	0.5
124.01679	0.7
134.03705	0.8
136.01659	41.9
137.02498	2.2
151.04001	81.9
152.04292	2.7
159.02972	0.7
159.04430	0.5
159.27823	0.4
160.05292	1.1
161.04568	3.4
161.05832	0.6
162.03207	1.2
163.03984	1.6
173.06137	0.6
175.07610	1.8
177.05568	1.1
179.03455	0.5
262.39417	0.4
267.06592	1.3
281.08240	0.9
282.08981	1.1
296.10486	1.8
297.08185	0.5
297.11438	3.3
327.08481	0.7
327.12366	0.8
342.06876	0.6
342.11063	12.1
343.11371	0.8
357.13409	100.0
358.13806	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	579.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
55.55141	0.3
56.57775	0.4
57.93266	0.4
58.00594	0.9
59.01376	100.0
60.01701	0.9
61.98828	3.0
69.33241	2.9
71.01379	19.2
72.99314	1.4
73.02959	0.8
83.01389	0.8
85.02951	3.5
87.00888	1.1
88.98834	0.4
89.02439	30.3
91.05054	0.4
95.01376	0.5
96.96009	1.3
96.96999	0.5
98.19840	0.4
101.02432	10.6
113.02449	8.8
116.92887	0.4
117.01979	0.4
119.03490	11.4
120.03878	0.5
131.03494	1.7
142.40163	0.4
143.03471	2.4
149.04576	1.1
161.04539	2.9
179.03503	0.4
179.03807	0.4
179.05598	6.5
179.07030	0.5
212.73717	0.5
238.77065	0.3
311.09619	0.5
315.19763	0.5
463.95102	0.4
579.33862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36810	0.4
59.01376	100.0
59.90928	0.4
60.01727	0.9
60.43568	0.4
61.98834	1.1
67.66498	0.4
71.01387	1.4
71.79400	0.4
87.00883	1.6
89.02456	0.6
96.95997	4.3
101.02445	0.9
108.02194	0.5
116.80206	0.4
121.02963	1.5
125.02458	0.4
132.02200	0.6
133.02979	0.7
134.03743	2.6
135.04543	1.9
145.02963	0.6
147.01712	0.5
147.04543	0.5
149.06161	0.5
150.03189	0.9
151.04007	0.6
160.01672	2.5
161.02435	2.9
161.04463	0.8
163.04097	0.5
165.05537	0.9
175.03970	4.6
176.04709	0.6
179.03421	0.5
190.06363	0.7
190.92488	0.4
191.07159	1.0
193.05048	2.4
195.06566	0.6
222.05331	1.0
229.49071	0.5
235.06094	1.1
251.07153	0.6
253.08913	0.7
263.07150	0.5
267.06702	1.1
269.08289	1.6
279.06726	1.5
281.08038	2.6
282.08682	0.5
283.09683	0.5
291.06631	0.7
293.08459	0.7
294.09122	1.6
296.10757	0.7
297.07672	8.8
297.11063	0.7
307.09793	0.7
308.10739	1.2
309.07791	11.4
309.11359	3.7
310.08197	0.7
312.10004	8.5
323.09280	1.8
324.09998	9.5
325.10287	0.7
327.12335	41.4
328.12680	2.8
339.12332	41.1
340.12656	2.3
357.13712	0.6
403.12390	2.4
459.11533	1.0
517.13531	0.9
519.24359	0.8
535.17773	0.5
579.17108	7.1
580.18225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.0
59.01380	15.3
61.98821	5.1
70.53873	6.4
71.01360	6.4
73.02933	2.6
75.00887	2.3
79.97398	2.7
83.01383	50.4
85.02993	2.5
88.98809	3.0
101.02464	5.4
113.02402	3.5
121.02911	9.3
136.05309	13.7
168.04211	4.9
175.23190	2.0
206.03648	2.3
211.14680	2.1
211.88889	2.6
286.34918	2.3
315.19553	2.4
320.08777	2.2
356.12622	4.9
357.26724	3.7
371.14957	100.0
372.15118	6.8
375.27451	24.6
429.89786	2.7
459.29431	2.6
475.30701	3.7
579.33838	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	579.229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	3.3
59.01376	100.0
61.98825	8.3
71.01014	3.5
71.01380	53.3
71.36606	2.2
72.99303	2.4
73.02934	10.1
75.00875	1.9
82.90456	1.6
83.01380	4.9
85.02950	15.4
87.00875	3.4
89.02438	46.4
94.25711	1.8
95.01394	9.1
96.96012	3.0
99.00852	3.1
101.02428	28.3
109.02962	2.3
112.98794	2.4
113.02439	38.0
119.03485	19.1
125.02417	2.0
131.03410	2.3
135.04478	2.9
136.01576	2.0
137.02452	2.2
143.03467	6.9
149.04556	4.3
150.03148	3.7
151.03954	3.3
161.02429	5.7
161.04500	11.2
164.12831	1.7
165.05493	2.3
166.02689	6.2
175.03999	2.0
179.05623	9.9
181.05028	8.5
237.05980	2.2
270.87018	1.9
279.06522	1.8
297.11340	3.3
312.10080	3.0
314.35379	1.8
327.12326	18.5
345.13092	2.6
357.13290	3.9
377.22192	1.9
417.15610	11.6
451.21725	2.0
451.54355	2.2
475.21768	43.0
476.22327	2.9
493.22882	26.4
494.23074	2.9
519.24292	8.8
535.23798	6.2
579.18018	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
56.50457	1.1
57.03432	2.3
58.00578	2.8
59.01377	100.0
61.98831	7.0
65.71207	1.2
66.28646	1.0
67.09848	0.9
69.03478	1.6
71.01379	49.9
72.99299	2.7
73.02941	11.5
75.49415	1.1
81.56163	1.0
83.01412	5.4
85.02950	18.1
85.40723	1.4
87.00870	4.5
89.02439	41.7
94.50186	1.1
95.01389	7.0
96.96014	5.8
99.00886	2.0
101.02432	27.5
111.00844	2.1
113.02449	36.3
115.00336	2.4
119.03496	16.8
122.03661	1.3
124.01620	1.3
125.02364	1.9
131.03503	1.7
135.04483	1.2
143.03505	4.1
149.02428	1.2
149.04453	1.7
150.03134	1.5
151.04016	1.5
161.02437	2.8
161.04564	8.6
165.05577	2.3
175.02431	2.7
179.03482	1.5
179.05579	8.4
181.04997	1.4
195.06531	1.4
313.16519	1.8
331.17599	1.9
355.17722	1.5
367.60629	1.3
475.21832	68.0
476.22202	4.8
493.22873	47.9
494.23087	3.5
519.26440	1.4
535.23834	7.2
538.64856	1.2
579.17938	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
57.03435	2.0
58.00582	0.6
59.01376	44.9
61.98826	5.7
63.90906	0.5
69.03419	0.8
71.01379	23.1
71.52309	0.9
72.99290	1.2
73.02944	6.1
75.00851	0.7
79.10806	0.5
83.01379	4.8
85.02946	13.8
87.00865	2.1
89.02441	5.4
93.03455	1.5
94.98065	1.1
95.01379	4.2
96.95984	0.8
97.02928	1.0
97.87238	0.5
99.00861	2.1
101.02431	12.6
108.02119	0.8
109.02943	4.0
113.02442	14.3
115.03960	0.5
119.03503	1.7
119.05009	1.8
121.02949	21.8
122.03812	2.4
123.04504	1.6
124.01647	0.7
125.02450	1.2
135.04494	1.5
136.01672	1.0
136.05229	0.7
137.02411	1.0
138.03215	0.8
143.03439	1.6
147.04509	3.9
149.02441	0.8
149.06055	1.0
150.03174	0.8
151.04008	2.4
160.01642	0.6
161.02371	0.8
161.04552	1.9
161.06059	6.1
163.03964	1.9
164.04770	3.7
165.05556	14.4
166.05899	0.5
173.06084	0.7
175.03957	0.8
178.06287	0.8
179.03615	0.6
179.07077	4.5
190.06358	0.7
191.07111	0.7
207.06638	1.6
237.11342	0.6
237.28369	0.5
265.68854	0.6
281.08163	0.6
282.08923	1.2
297.11331	3.0
311.12811	0.8
312.10416	0.7
312.13687	5.2
325.14505	0.8
327.12384	0.8
327.15878	2.1
329.13898	0.9
330.14853	0.6
341.13846	0.7
342.14594	4.4
343.15237	1.5
357.13248	2.3
357.17032	7.2
357.24448	0.6
358.17673	0.7
359.14993	0.7
360.15738	13.1
361.16351	1.9
375.17993	39.5
376.18561	3.2
445.18384	0.8
475.29431	0.7
489.21118	1.1
519.22272	100.0
520.22632	10.7
537.23260	34.7
538.23669	4.0
541.23029	0.9
579.24475	2.9
579.33563	1.5
580.24146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05885	1.6
57.03446	1.5
58.00597	2.1
58.66962	1.5
59.01376	56.7
61.98818	12.9
63.35274	1.5
64.46934	1.5
65.03955	3.2
69.03461	2.0
71.01376	42.1
71.52426	2.7
72.99296	3.3
73.02943	12.9
73.30023	1.4
83.01389	3.4
85.02934	9.7
87.00878	3.6
88.98802	4.1
89.02441	71.3
95.01389	2.0
99.00874	22.3
101.02438	35.7
101.06091	2.1
109.02979	1.4
111.00838	9.3
113.02440	13.3
115.04038	2.3
119.03477	6.2
125.02426	7.6
131.03453	10.3
136.01706	1.8
139.03970	3.7
149.02509	2.8
149.04555	44.7
150.03145	4.2
151.04016	2.6
153.09215	2.1
159.02957	2.1
161.02422	4.7
161.04547	5.8
165.05539	6.3
179.05569	1.9
181.04997	2.1
183.06607	4.1
189.12753	3.0
191.05614	16.4
195.06627	2.7
204.99896	1.6
215.09149	2.0
233.06609	2.1
251.07626	6.9
282.09006	4.5
293.08795	4.0
297.11227	7.2
319.13705	2.3
327.12311	4.5
345.13422	3.1
375.14444	2.5
387.20093	4.3
461.14432	6.0
519.24402	100.0
520.24664	7.7
579.25629	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.3
61.98827	100.0
63.34391	0.2
69.23207	1.4
69.23615	0.4
73.88350	0.2
78.95914	0.7
80.79980	0.2
98.19901	0.3
103.16808	0.2
128.47543	0.2
152.99680	0.3
177.41852	0.2
180.23296	0.2
277.21640	1.1
278.22122	0.6
489.27954	0.2
502.29230	1.3
503.29456	0.2
505.30640	0.6
516.83197	0.2
559.52405	0.2
579.31158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93540	0.3
59.01379	0.4
61.98827	100.0
71.06545	0.6
73.15120	0.3
78.61223	0.3
91.55722	0.2
127.86070	0.3
137.03987	0.3
144.04805	0.2
149.37230	0.2
151.04030	0.4
152.99622	0.5
167.49257	0.2
185.98975	0.3
188.56245	0.3
214.30608	0.3
277.21646	1.8
278.22217	0.7
279.22272	0.4
280.22797	0.3
357.13556	0.6
431.21979	0.3
502.29562	0.7
505.30392	0.4
579.30585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88163	1.0
59.01121	1.2
59.01377	14.2
61.98817	9.9
65.03949	2.5
70.89901	1.0
71.01373	8.2
72.99294	1.9
73.02946	1.5
74.99088	9.0
85.02927	3.9
87.00859	3.4
88.98788	2.2
89.02434	6.8
93.03424	2.1
95.11758	1.2
96.95961	2.5
97.27744	1.2
98.95531	1.6
101.02458	5.5
106.04294	1.1
108.02175	16.0
109.02860	1.6
110.96025	1.2
111.00873	2.3
113.02380	3.5
117.03458	26.2
118.28518	1.1
118.98018	4.5
119.03461	1.7
119.05019	33.5
121.02963	6.1
121.06570	1.4
123.04471	1.4
131.05008	1.4
132.05725	1.5
133.02901	1.1
133.06590	10.0
134.03723	1.8
135.04483	5.0
137.02393	1.6
139.03862	1.3
145.02950	100.0
146.03207	3.7
147.04514	6.7
149.06024	3.8
150.03134	2.6
156.75130	1.2
159.04457	3.2
161.02377	4.0
161.06068	23.3
163.04015	47.9
164.04625	1.6
165.05560	6.0
177.04121	1.6
177.05565	22.1
179.03441	1.6
181.03325	1.5
187.03894	2.3
191.03445	1.9
193.03194	3.6
193.42488	1.2
195.06606	1.7
197.17787	1.1
203.03328	1.8
205.05049	28.7
209.04453	2.3
209.07893	1.5
211.04381	6.0
223.05981	1.9
225.92683	1.1
233.04460	2.1
235.06070	14.0
251.05431	1.7
265.07162	33.0
307.07971	1.7
325.09277	8.3
329.13840	6.6
355.44699	1.3
359.14990	1.5
373.12616	2.2
435.09692	7.4
445.14618	4.3
461.08734	1.7
461.14499	25.2
462.14569	2.0
503.15033	3.5
507.37054	1.3
509.14523	10.1
521.19843	1.6
537.14325	10.2
572.17975	1.2
581.13074	43.8
581.20764	2.9
582.13287	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	581.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.9
65.03963	10.8
69.03445	1.6
69.89526	7.4
71.01385	8.5
80.59718	1.4
85.02956	11.8
87.00883	4.2
89.02448	2.7
93.03448	4.9
98.20660	2.7
99.00872	3.0
101.02448	3.4
101.06101	1.5
109.29812	1.4
111.00892	2.5
113.02435	3.0
121.06549	7.2
127.04017	1.9
129.05605	1.7
139.04005	16.6
141.01918	2.5
142.99837	8.7
165.05540	9.6
173.00858	4.0
183.06619	10.2
191.05598	100.0
192.05844	1.8
198.32779	1.5
222.92014	1.5
345.11832	9.9
346.03055	1.7
361.34790	1.6
389.10822	51.0
390.11130	2.8
422.62421	1.4
453.60751	1.6
585.31219	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	581.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01376	10.9
60.54045	1.0
61.98540	1.5
61.98828	19.9
68.77798	0.9
69.03432	1.5
71.01378	13.6
72.99295	2.0
73.02921	2.9
83.05007	1.2
85.02950	3.8
87.00863	18.6
87.04505	4.3
88.30853	1.0
88.98817	1.1
89.02429	2.7
93.03455	2.7
95.64003	0.9
96.95995	2.1
97.02935	3.0
99.00884	4.6
101.02434	2.6
103.00370	3.5
108.02193	2.9
111.00860	1.5
112.98795	3.0
113.02441	3.0
114.03220	7.3
115.00307	1.7
115.03994	3.4
117.03455	2.0
118.98111	1.0
119.04980	3.7
121.02938	3.5
122.03726	7.4
123.04534	2.4
125.02432	17.6
133.02963	3.7
135.04521	3.4
137.02466	1.5
139.03996	1.3
142.99872	1.5
145.01424	1.6
145.02921	6.3
147.04494	1.3
149.02438	17.9
150.03221	64.4
151.00316	3.5
151.04015	7.6
153.05551	1.4
161.02496	5.8
161.06041	1.7
163.03999	9.7
164.04802	6.2
165.05559	75.7
166.02705	9.6
166.05890	2.4
173.00923	8.1
174.01675	11.1
177.05562	3.1
178.06339	9.5
179.03537	2.6
179.07088	1.7
180.04269	6.2
181.05070	18.5
182.05348	1.4
183.06711	1.4
191.05624	2.1
193.05043	2.1
193.08688	7.6
195.06598	25.1
196.06923	1.0
205.04979	2.8
206.25006	1.1
223.06166	2.5
233.08076	1.1
235.06120	1.7
261.07767	1.0
263.05701	1.9
263.09161	1.7
265.07254	1.9
278.07956	2.7
279.08704	7.1
280.09354	1.4
371.14883	1.3
417.15268	1.6
418.16150	2.3
419.16177	2.9
427.13785	6.6
434.34619	1.1
461.14539	2.1
475.16058	27.6
476.16522	2.4
477.14191	3.7
487.16092	1.4
515.15552	6.9
521.24768	1.8
535.18182	1.5
543.20490	2.0
563.17682	7.2
572.18335	1.3
581.18781	100.0
582.19110	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	581.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98832	0.7
56.13913	0.7
57.03443	0.9
59.01374	13.5
61.98828	25.8
69.03425	0.8
69.44953	6.0
69.45300	1.4
71.01376	6.7
75.81127	0.7
83.01354	0.8
83.05024	1.2
85.02938	2.2
87.00867	9.0
87.04460	0.9
89.02448	6.1
93.03456	1.3
95.01408	0.8
95.04914	0.9
96.95999	2.0
98.19873	0.8
101.02428	3.3
109.06590	10.0
111.04546	0.9
111.45229	0.7
112.98758	0.9
113.02441	2.6
114.03240	2.1
115.04006	1.4
119.03526	1.9
121.06428	0.9
122.03740	2.0
124.22609	0.9
125.02431	2.6
135.08153	31.7
149.02368	4.1
150.03209	16.4
151.00323	1.1
151.03864	1.0
153.09203	25.0
163.03966	1.5
165.05554	18.9
166.02690	2.1
166.04416	0.8
175.02711	0.8
178.06334	1.5
180.04208	1.8
181.05098	3.6
193.08727	1.6
195.06577	7.7
197.08188	37.7
198.08540	1.1
239.09315	1.2
241.07265	2.4
241.09647	0.9
248.06766	1.3
263.09137	4.2
299.10342	0.9
305.10330	0.9
323.11536	1.0
359.13428	100.0
360.13806	5.0
419.10886	7.8
475.16055	3.1
501.17175	1.2
521.24823	1.6
560.29370	0.9
581.18829	23.4
582.19403	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	581.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	0.7
61.98823	6.0
69.20371	3.9
71.01382	2.2
85.02977	0.7
89.02450	1.0
98.20705	0.7
101.02470	2.0
103.45045	0.5
113.02450	1.0
116.92892	0.9
119.03481	0.7
121.02966	1.0
129.98642	0.5
135.04517	1.1
145.03017	0.7
147.04572	0.7
149.02417	0.5
150.03226	0.6
152.58247	0.4
161.02435	0.5
161.04543	1.1
163.04016	0.8
165.05531	0.9
175.03976	0.8
179.07219	1.3
189.05528	0.5
190.06429	0.7
190.40729	0.4
191.07184	0.7
192.08057	0.4
195.06668	0.7
205.08742	0.6
208.07478	1.1
223.06142	0.9
234.41187	0.4
264.44150	0.4
269.08157	8.4
270.08591	0.8
281.08163	1.0
283.09802	2.7
299.09198	5.2
311.09259	7.3
311.12726	0.6
314.11563	11.6
315.11850	1.1
325.10861	1.6
326.11575	8.1
329.13922	43.7
330.14362	3.0
341.13919	25.4
342.14398	1.7
359.15112	1.4
371.61053	0.5
389.15967	5.3
419.17453	0.8
477.23358	4.0
495.24457	2.4
549.45325	0.5
581.23621	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
57.03445	2.3
58.00605	1.3
59.01377	92.5
61.98812	3.3
63.75415	0.9
65.50083	0.8
66.05891	0.8
67.51603	1.0
69.03430	1.6
69.33843	4.6
69.34260	2.4
71.01375	39.2
72.99283	1.4
73.02945	9.3
74.35954	0.8
76.90455	1.1
78.67677	0.8
83.01379	5.7
85.02460	1.3
85.02943	19.0
87.00854	3.1
89.02440	19.2
95.01384	5.3
97.02943	1.9
99.00854	4.4
101.02438	28.4
111.00859	4.0
112.01674	2.2
113.02443	22.3
114.15031	0.9
115.04002	0.9
116.92831	1.4
119.03477	7.5
124.01657	1.2
125.02424	4.1
135.04503	1.1
143.03452	3.9
146.72835	0.9
161.04544	5.5
179.05612	1.9
192.15105	0.9
311.09229	0.9
315.17944	2.4
329.13898	3.5
333.19189	4.2
341.13840	1.8
389.16080	2.7
477.23361	100.0
478.23981	9.5
495.24402	62.5
496.24796	4.4
537.25519	10.0
583.62665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2996
Annotation	15-epi-lupulin B
Peak:m/z	Relative Intensity
51.82027	0.3
59.01379	0.5
61.98826	0.7
63.96223	0.9
67.69492	0.3
68.07257	0.3
69.03446	0.3
69.52885	0.9
69.53294	1.2
71.01372	6.4
71.01776	0.3
72.99313	0.3
73.02933	1.6
78.98587	5.6
79.69109	0.3
79.95729	8.8
80.29356	0.3
80.96512	57.0
81.03458	0.9
85.02938	2.2
86.17756	0.3
87.00873	2.1
90.82388	0.3
91.04047	0.3
94.98081	12.9
96.96004	1.2
97.02934	1.1
99.00871	0.5
101.02427	1.9
106.98082	2.6
114.59928	0.4
122.97567	5.2
125.02417	2.8
127.03974	0.7
134.97548	3.9
136.99091	0.9
146.97594	0.3
148.99121	5.3
152.98624	5.8
153.38200	0.3
164.98613	10.2
167.00203	0.4
182.99707	1.9
184.51514	0.3
185.78250	0.3
206.99727	2.9
217.23264	0.3
222.91953	0.3
225.00717	15.1
243.01781	1.3
281.24872	3.0
291.50995	0.3
299.04303	3.2
362.47662	0.3
581.29944	100.0
582.30267	9.2
582.39508	0.5
606.40033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03470	0.2
59.01368	0.2
61.98824	100.0
71.52460	0.2
78.95892	0.7
80.87872	0.2
82.96082	0.4
116.50565	0.2
128.20419	0.2
146.52586	0.2
152.99657	0.3
167.81384	0.2
182.62004	0.2
279.23285	1.5
280.23602	0.4
325.33282	0.2
471.34738	0.3
504.30939	1.2
504.70761	0.2
505.31134	0.3
507.32159	0.4
581.26202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46934	0.2
58.34476	0.2
59.01376	3.7
61.98825	100.0
68.99522	0.2
71.01383	1.0
71.53424	0.2
73.02943	0.7
75.00893	0.2
82.40224	0.2
85.02923	0.2
87.00909	0.2
89.02444	0.3
91.91894	0.2
96.95998	1.0
101.02460	0.4
105.32357	0.2
113.02444	0.3
116.92852	0.3
133.02974	0.6
135.04559	0.3
139.07703	0.2
139.98219	0.2
161.02464	0.7
163.01875	0.3
179.03490	0.3
209.11830	0.3
232.07419	0.2
269.19189	0.4
270.19415	0.2
283.05200	0.4
317.21167	1.7
318.21674	0.8
461.19061	0.2
461.25681	0.6
461.67667	0.4
462.13245	0.3
462.26227	0.5
477.15775	0.4
519.16608	2.6
521.27429	2.2
522.27924	2.9
538.27161	0.3
565.23181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
60.10807	0.2
61.98828	100.0
66.16367	0.2
69.60496	1.4
71.01377	1.8
73.02946	2.6
73.36517	0.2
83.01398	0.7
85.02969	0.7
88.98813	0.3
89.02446	0.7
99.00880	0.3
101.02443	3.0
113.02448	1.1
116.92851	3.2
119.03516	0.3
128.48309	0.3
131.44977	0.2
149.04538	0.8
161.02444	0.2
161.04539	1.8
161.42647	0.3
221.06659	0.5
224.60988	0.2
354.68762	0.3
479.24927	2.4
497.26166	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	582.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
61.98825	100.0
65.84716	0.3
69.15762	2.5
94.61065	0.2
95.27190	0.3
136.01630	0.5
151.04005	0.8
197.88705	0.3
311.07578	0.3
336.82767	0.3
357.13443	0.3
358.13962	0.5
359.14114	0.5
360.14191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20441	0.2
61.98827	100.0
98.20663	0.8
109.97198	0.3
124.34156	0.2
139.61992	0.2
141.40271	0.3
174.44318	0.3
185.38455	0.2
291.41135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
60.01718	0.2
61.98826	100.0
64.80358	0.1
71.01384	1.4
71.94603	0.2
76.69820	0.2
87.00874	0.1
89.02427	1.6
98.20661	0.4
100.37575	0.1
101.02453	0.8
102.00684	0.1
109.04330	0.2
113.02445	0.4
118.53067	0.1
119.03520	0.7
125.46326	0.1
136.01682	0.2
137.34030	0.1
143.03409	0.2
151.04060	0.2
154.28758	0.2
161.04576	0.1
162.04942	0.2
179.05614	0.5
237.99962	0.1
284.10199	0.3
286.76938	0.2
295.09705	0.2
311.09406	0.5
312.09720	0.6
326.11600	0.5
327.11996	0.4
341.13953	0.7
342.10150	0.2
342.14108	1.3
358.14035	0.2
360.14670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
60.01710	0.1
61.98827	100.0
63.87931	0.1
69.46236	0.3
69.46659	0.6
69.93772	0.1
71.01395	0.4
73.02949	0.1
89.02440	0.2
96.96033	0.2
97.45271	0.1
98.20619	0.3
101.02423	0.2
113.02476	0.3
140.64081	0.1
145.02956	0.2
161.02522	0.2
161.04530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.2
57.03438	1.5
59.01377	47.2
61.98826	23.4
69.03475	1.3
71.01017	1.4
71.01381	24.7
73.02940	8.7
73.39777	1.2
83.01376	6.4
85.02953	14.9
87.00874	2.2
89.02428	1.7
93.52685	1.1
95.01385	2.6
96.56206	1.1
97.02892	2.8
98.20661	2.9
99.00854	4.9
101.02440	22.4
111.00887	6.0
112.01655	1.5
113.02454	11.5
124.01663	1.7
125.02431	3.9
129.01909	1.3
143.03479	2.1
159.02977	1.8
161.04533	5.3
161.05754	1.4
213.51955	1.2
285.12827	1.3
317.19586	3.0
335.20676	9.6
405.21152	1.2
411.30539	1.3
479.24948	100.0
480.25269	9.5
497.26013	62.1
498.26709	5.6
539.27045	10.7
540.27576	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01727	0.5
60.47242	0.3
61.98827	2.6
68.23212	0.3
69.24159	1.4
69.24583	1.2
71.01379	1.0
78.95898	0.7
88.98814	0.4
96.96022	0.6
96.96960	1.6
100.15976	0.3
101.02469	0.6
113.02493	0.4
119.55315	0.3
170.29062	0.3
177.18149	0.3
179.24155	0.4
248.05333	0.3
390.73657	0.3
415.77689	0.4
481.28064	0.8
485.32678	2.4
486.33490	0.4
487.33331	0.4
583.31891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
61.98825	100.0
69.73801	0.7
71.01382	0.7
96.96011	0.9
99.82246	0.2
101.02442	0.4
107.05026	0.2
113.02441	0.3
119.05051	0.3
121.51494	0.2
126.90458	0.3
135.04544	0.2
150.03242	0.9
161.02412	0.4
163.04045	0.6
165.05588	0.7
167.03622	0.2
195.06616	0.3
230.43881	0.2
247.13538	0.2
266.04379	0.2
297.11215	0.2
315.12463	0.3
380.22314	0.2
386.83704	0.2
498.26611	0.2
521.16504	1.0
523.34851	0.3
536.20392	0.5
551.27637	0.2
608.75769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68111	0.2
59.01377	1.5
60.01711	0.4
61.98826	100.0
69.30975	1.9
71.01382	0.4
94.13499	0.3
116.15606	0.2
131.46175	0.2
161.02492	0.5
331.14706	0.3
490.15649	0.3
585.25726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40687	0.2
56.47561	0.2
60.52211	0.2
60.99300	1.3
61.98827	100.0
69.40625	1.3
71.01375	0.3
75.66500	0.2
88.98801	8.6
115.00366	0.2
116.92841	0.3
117.92804	0.2
126.31764	0.2
145.70534	0.2
165.05574	0.2
175.04013	0.3
185.75801	0.2
200.42070	0.2
389.62729	0.2
414.90500	0.2
496.19080	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74529	0.1
54.06595	0.1
58.25146	0.1
59.01371	0.4
59.01670	0.1
61.38119	0.1
61.98825	100.0
62.05906	0.1
62.98518	0.3
63.99249	0.5
69.28957	1.1
71.33580	0.1
74.43195	0.1
75.08598	0.1
78.11942	0.1
82.73650	0.1
85.02991	0.2
89.02462	0.2
89.03938	0.1
98.20683	0.3
99.04616	0.1
123.52899	0.1
165.05566	0.2
180.47450	0.2
189.68782	0.1
244.17563	0.1
341.94226	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74529	0.1
54.06595	0.1
58.25146	0.1
59.01371	0.4
59.01670	0.1
61.38119	0.1
61.98825	100.0
62.05906	0.1
62.98518	0.3
63.99249	0.5
69.28957	1.1
71.33580	0.1
74.43195	0.1
75.08598	0.1
78.11942	0.1
82.73650	0.1
85.02991	0.2
89.02462	0.2
89.03938	0.1
98.20683	0.3
99.04616	0.1
123.52899	0.1
165.05566	0.2
180.47450	0.2
189.68782	0.1
244.17563	0.1
341.94226	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	585.2316
Annotation	Lancifodilactone J
Peak:m/z	Relative Intensity
59.01379	19.0
61.98828	16.0
68.93613	2.6
70.89031	2.5
70.89388	8.2
71.01380	11.6
75.00867	3.2
85.02956	4.0
89.02457	10.6
95.01405	2.9
95.05029	3.3
96.96004	9.8
99.00853	3.5
101.02449	7.6
105.01955	2.8
107.05003	2.6
113.02492	5.1
116.92863	15.5
118.98069	2.8
119.03559	5.6
129.01920	2.6
133.02974	3.9
139.03999	8.4
149.02415	2.9
150.03226	7.3
151.04051	3.0
161.02440	11.5
161.04559	5.5
165.05519	15.2
175.02493	5.9
183.06621	7.2
189.08943	2.7
191.05585	4.0
195.06627	5.9
259.00534	2.5
387.16531	4.9
529.15973	7.7
549.14661	13.2
549.25653	6.2
585.23285	100.0
586.23615	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	585.247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99208	1.4
59.01375	36.0
61.98596	1.2
61.98829	13.4
69.37975	10.1
71.01370	13.7
72.99308	1.4
73.02924	6.1
75.13921	1.2
83.01392	3.3
84.17437	1.2
84.37555	1.2
85.02949	5.9
89.02445	2.9
95.01447	1.4
96.96011	1.4
98.70443	1.3
99.00918	1.7
99.92574	2.4
101.02422	9.0
113.02431	4.8
115.92067	3.5
116.92832	10.5
119.03484	1.3
141.09203	1.5
161.04469	1.6
166.21390	1.3
168.68903	1.4
281.19043	1.4
283.20612	3.3
299.20047	2.6
301.21680	34.2
302.22342	1.3
324.35559	1.4
330.92841	1.3
430.18796	1.3
443.24222	5.1
445.25906	100.0
446.26111	9.9
461.25571	1.6
463.27063	8.9
503.26303	3.1
505.28012	3.6
541.30084	5.2
585.15875	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	585.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19411	1.3
58.00600	1.4
59.01078	1.4
59.01373	27.6
61.71865	1.3
61.98825	10.1
65.03130	3.1
65.03956	60.3
68.99825	5.6
69.03452	15.0
71.01373	17.6
71.53680	1.6
73.02938	8.7
76.40254	1.2
83.01349	2.9
85.02960	7.6
87.00881	1.6
89.02452	4.3
93.03443	10.8
95.01449	1.4
95.05044	6.6
99.00882	3.1
101.02438	11.2
103.05525	2.1
106.04263	3.1
113.02431	7.9
116.92884	1.7
118.44505	1.2
119.03543	1.6
119.05018	7.7
121.02962	2.1
121.06588	33.8
121.07430	2.5
124.85924	1.4
126.42982	1.2
128.87920	1.2
133.02945	5.6
135.04523	4.9
137.06059	1.6
139.03999	100.0
139.07613	1.7
140.04362	1.3
147.04477	1.6
161.02414	16.2
161.04562	2.9
165.05551	51.0
166.05859	1.5
171.58598	1.3
179.03503	4.4
179.07088	1.2
182.65404	1.3
183.06589	50.2
183.13860	8.1
184.06949	2.3
191.05576	2.9
193.05072	3.1
195.13861	7.9
202.06302	1.7
207.06578	1.8
207.13994	1.3
209.04521	47.7
209.15430	2.0
210.04839	2.4
213.14951	54.6
214.15308	3.6
227.05638	4.3
227.16505	4.5
237.14996	3.5
242.84845	1.3
255.16087	3.7
327.10797	6.8
345.11780	13.4
345.15213	1.4
371.10089	2.3
389.10931	5.6
413.22653	1.3
541.26495	51.7
542.27094	5.0
585.25671	62.3
586.25787	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	586.309
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	1.4
59.01363	2.0
59.30289	0.7
61.98827	5.8
69.91302	0.8
73.04063	4.8
74.23039	0.6
80.05050	0.7
81.07056	0.7
82.06612	1.1
84.04518	2.2
85.02946	0.9
86.66846	0.7
87.05632	9.6
96.95998	2.8
97.04060	1.9
98.02446	1.9
98.19882	1.4
102.05608	27.5
110.02455	1.7
115.05129	15.3
121.10855	0.7
125.07218	1.2
125.63744	0.7
126.06731	8.1
128.03531	75.9
129.03856	1.6
129.10330	2.7
130.08728	18.5
130.09685	1.3
139.08762	1.1
140.07149	4.4
144.07764	7.5
146.03459	1.2
146.04588	24.2
147.04889	0.8
153.10368	1.5
155.08241	0.8
155.11845	2.1
168.07773	19.3
169.07964	1.0
169.13348	0.9
171.15068	4.2
182.12964	1.3
183.11322	1.6
186.08809	13.3
197.12921	1.3
197.16472	1.0
199.18167	1.1
207.14911	1.6
208.13391	1.9
212.13968	1.2
215.13994	3.7
225.16049	2.2
239.15175	0.8
243.17009	1.3
252.20723	1.6
259.12927	0.8
270.21838	3.4
284.23416	0.8
300.15466	1.3
313.22537	0.8
314.20718	1.5
327.23798	1.6
328.22351	1.6
344.18176	0.9
355.27319	1.3
399.26102	3.7
413.24017	23.8
414.24310	2.2
443.24881	1.2
457.26575	11.0
498.29260	1.6
542.28278	48.4
543.28583	5.9
568.29968	1.3
586.30859	100.0
587.18463	1.8
587.31177	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	586.344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
61.55167	0.1
61.98826	100.0
62.18104	0.2
71.01377	1.0
71.52354	0.2
73.02950	0.4
82.95420	0.2
84.95122	0.2
85.02969	0.3
88.98801	0.3
89.02447	0.6
96.96015	0.4
101.02459	0.4
108.02167	0.2
113.02409	0.5
119.03538	0.3
126.90462	0.4
133.02962	0.3
135.04532	0.4
137.02388	0.2
141.16606	0.2
147.72765	0.2
149.02490	0.3
149.04495	0.2
150.03221	0.6
155.07329	0.2
161.02449	0.7
161.04599	0.2
165.05569	0.5
191.05612	0.2
195.06639	0.3
202.99380	0.2
357.13147	0.2
391.17529	0.2
539.23224	0.2
586.27167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
59.01082	1.5
59.01375	29.1
61.98829	3.9
65.03964	1.8
69.03442	0.9
71.01379	20.4
71.51380	1.4
72.99316	1.2
73.02959	1.1
75.00898	0.8
81.76125	0.7
85.02947	4.7
85.06555	4.5
87.00876	2.7
88.64964	0.9
89.02442	22.9
95.01400	1.6
96.95986	2.1
101.02434	13.5
106.20473	0.9
113.02446	9.5
113.06080	11.2
116.92847	0.9
119.03503	9.2
121.06621	1.4
127.07603	1.0
131.03516	1.8
131.07137	23.0
135.04451	1.3
139.03996	3.8
143.03482	2.4
161.04620	1.5
165.05551	3.5
167.66652	0.9
173.08122	1.1
179.05595	7.4
183.06580	3.0
194.14888	0.7
196.76572	0.8
209.04404	1.4
213.78963	0.9
248.35750	0.9
273.04166	1.0
293.12402	100.0
294.12769	3.7
297.11826	1.5
307.14114	1.4
323.03430	0.9
334.69955	0.8
382.85468	1.0
519.13446	0.9
549.14685	6.7
549.22498	1.0
551.15149	1.2
587.23181	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	587.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72639	0.7
59.01385	5.4
61.98828	7.3
71.01374	2.3
71.52244	1.1
73.02941	1.3
78.53152	0.7
85.02939	1.1
86.49539	0.8
99.92582	12.9
100.93336	4.1
101.02441	2.2
111.21362	0.7
111.22250	0.6
113.02451	1.2
115.92072	100.0
116.92076	3.4
116.92856	7.4
132.92369	1.4
161.04523	0.9
177.24374	0.7
179.44983	0.7
246.66869	0.7
391.78378	0.8
487.34250	2.3
489.35199	1.1
494.96417	0.8
545.29535	2.2
548.92859	0.8
569.25159	1.6
571.23492	2.4
587.26758	68.6
588.27155	12.5
601.24799	15.3
602.25336	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	587.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03437	1.8
58.00576	0.8
59.01376	56.7
61.98825	6.8
66.97735	0.7
69.03474	0.7
70.74972	1.3
71.01379	18.5
72.99309	1.8
73.02944	7.2
75.00860	1.3
83.01377	3.1
85.02951	9.4
85.03451	0.8
86.00068	0.9
87.00854	2.1
89.02438	5.7
95.01379	2.1
96.95979	0.6
99.00874	3.0
101.02429	12.8
111.00871	0.9
113.02441	8.2
116.33932	0.6
116.92881	0.8
119.03480	1.8
120.24001	0.5
125.02439	1.6
127.07635	0.7
143.28584	0.6
159.03012	0.8
161.04541	2.4
176.49844	0.7
197.11789	0.6
209.19066	2.1
253.80772	0.6
277.25366	1.9
323.25934	4.1
457.31616	0.9
483.29407	1.8
501.30582	3.3
543.31702	100.0
544.32043	9.0
587.29364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
58.00589	1.3
59.01376	100.0
61.98822	4.0
62.69622	0.8
65.03959	1.7
69.03456	1.2
69.20454	6.8
71.01379	30.3
72.01728	0.9
72.99299	1.0
73.02945	23.6
75.00869	1.0
78.91883	1.5
81.03428	1.1
83.01385	6.0
85.02941	7.2
87.00855	2.4
89.02441	19.0
95.01386	2.4
98.19926	1.6
99.00883	1.1
101.02437	24.0
113.02448	23.0
119.03501	9.3
125.02438	0.8
131.03525	1.6
133.02972	1.6
135.04515	1.7
139.04016	2.4
142.54622	0.9
143.03452	4.4
149.04515	2.8
161.02432	3.1
161.04549	12.1
163.07886	0.8
165.01878	1.9
179.03493	0.9
179.04036	1.3
179.05594	13.2
218.28520	1.0
224.01041	0.9
298.40665	0.9
407.22296	0.9
426.23734	0.9
483.29489	6.2
490.10773	2.0
501.30521	5.2
543.32208	1.2
587.26147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26472	0.1
58.93712	0.2
59.01379	0.5
61.98828	100.0
63.99242	0.3
69.57075	0.6
69.57487	0.4
71.01392	0.4
73.02951	0.2
88.98832	0.2
89.02489	0.2
96.96010	6.3
96.96967	0.3
98.20626	0.2
101.06094	0.2
117.49496	0.2
139.03995	0.3
143.88243	0.2
161.02441	0.3
190.02802	0.3
205.05112	0.5
251.81415	0.2
322.01328	0.2
353.44119	0.2
429.17770	0.3
473.16800	0.6
525.19409	0.9
589.20709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
59.47843	0.3
61.98824	1.9
65.03961	41.7
66.04295	0.9
69.03465	1.1
71.01379	2.4
71.51912	0.4
81.03455	0.9
85.02958	0.6
87.00894	0.5
89.02453	1.2
93.03453	6.5
95.05028	4.3
96.96001	2.2
98.95612	0.5
99.00879	0.4
101.02433	2.3
103.05515	0.4
106.04224	0.5
107.04995	0.5
108.02186	0.4
113.02441	0.7
116.92887	0.3
119.03526	0.8
119.05003	3.4
121.06593	18.0
135.04546	0.5
139.04007	87.8
140.04326	2.4
140.05249	0.4
146.73676	0.4
151.03940	0.5
161.02469	1.0
165.05553	22.6
166.05864	0.5
179.03354	0.4
179.05585	0.7
183.06609	100.0
184.06921	3.4
195.06641	0.4
237.99791	0.4
241.05109	0.5
252.08664	0.3
263.83093	0.4
271.09851	0.4
291.11203	0.4
315.10721	0.5
345.12247	0.4
439.19482	0.7
589.21161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07389	0.3
59.25244	0.3
61.98818	0.7
69.21987	1.9
69.22403	1.1
72.99300	1.8
75.00867	100.0
76.01186	1.0
77.61633	0.4
97.42697	0.4
98.20657	0.9
109.33891	0.4
118.95117	0.4
124.54724	0.4
194.36798	0.3
284.36560	0.3
433.50879	0.4
464.22992	0.4
617.67126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28643	1.5
53.43509	1.5
57.03416	2.4
59.01374	25.4
60.99299	16.2
61.98830	19.5
63.76704	1.7
65.03955	23.5
68.99818	2.3
69.03441	8.2
69.40027	4.1
69.40423	10.9
70.72412	2.1
71.01385	10.7
72.99289	2.6
73.02948	3.2
83.01365	3.1
85.02924	3.3
87.00866	3.1
88.98798	100.0
89.02457	4.4
92.13564	1.7
93.03444	6.5
95.04984	2.4
99.00851	2.8
101.02417	4.5
105.01936	3.9
107.05061	2.3
111.00879	10.8
113.02458	6.9
119.05004	4.4
121.06579	10.2
123.04495	2.8
133.02931	1.9
136.01605	3.0
139.04012	30.2
139.11301	4.6
145.02963	2.2
151.03983	3.8
161.02426	6.8
161.04495	3.5
162.02716	1.9
165.05568	15.5
166.02730	2.2
173.04588	1.7
183.06606	10.6
183.10243	7.4
186.07007	1.9
191.05345	2.0
195.53090	1.9
200.03674	1.9
209.04538	18.8
227.05367	2.1
247.12256	2.1
343.11765	3.5
344.61435	2.5
345.11893	8.3
387.14453	6.4
389.10648	3.7
443.56259	1.9
511.21722	19.4
547.27643	4.5
555.20776	55.2
556.20905	5.9
573.20099	2.6
591.20624	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	591.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28643	1.5
53.43509	1.5
57.03416	2.4
59.01374	25.4
60.99299	16.2
61.98830	19.5
63.76704	1.7
65.03955	23.5
68.99818	2.3
69.03441	8.2
69.40027	4.1
69.40423	10.9
70.72412	2.1
71.01385	10.7
72.99289	2.6
73.02948	3.2
83.01365	3.1
85.02924	3.3
87.00866	3.1
88.98798	100.0
89.02457	4.4
92.13564	1.7
93.03444	6.5
95.04984	2.4
99.00851	2.8
101.02417	4.5
105.01936	3.9
107.05061	2.3
111.00879	10.8
113.02458	6.9
119.05004	4.4
121.06579	10.2
123.04495	2.8
133.02931	1.9
136.01605	3.0
139.04012	30.2
139.11301	4.6
145.02963	2.2
151.03983	3.8
161.02426	6.8
161.04495	3.5
162.02716	1.9
165.05568	15.5
166.02730	2.2
173.04588	1.7
183.06606	10.6
183.10243	7.4
186.07007	1.9
191.05345	2.0
195.53090	1.9
200.03674	1.9
209.04538	18.8
227.05367	2.1
247.12256	2.1
343.11765	3.5
344.61435	2.5
345.11893	8.3
387.14453	6.4
389.10648	3.7
443.56259	1.9
511.21722	19.4
547.27643	4.5
555.20776	55.2
556.20905	5.9
573.20099	2.6
591.20624	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	591.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99785	0.4
58.00583	0.5
59.01376	13.2
61.98815	0.7
65.03959	1.0
65.34223	0.3
69.03471	0.6
71.01376	8.8
71.51948	0.5
71.71619	0.4
72.99304	0.6
73.02943	2.4
81.03445	0.4
81.82706	0.3
83.01393	1.0
85.02946	2.9
87.00854	0.6
89.02443	6.0
92.87627	0.3
93.03473	0.6
93.80933	0.3
95.01397	0.6
96.96008	0.8
101.02438	5.4
113.02451	3.1
116.92876	0.5
117.03458	26.6
118.03805	0.7
119.03526	2.2
119.05019	27.9
120.05371	0.7
121.03008	0.5
121.05033	0.6
126.90399	0.5
133.02901	0.5
133.06607	0.8
135.04538	1.0
139.03993	1.5
143.03511	0.7
145.02943	100.0
146.03281	3.4
147.04509	0.4
154.37703	0.4
161.02432	2.1
161.04623	0.9
161.06084	2.9
163.03999	43.9
164.04324	1.3
165.05562	0.5
177.05501	1.8
179.05557	0.7
183.06631	0.8
185.82347	0.3
205.05037	2.3
209.04491	0.4
235.05977	0.4
265.07080	1.4
265.09476	0.8
275.11334	0.5
283.10413	0.5
293.12418	1.8
315.10617	0.5
335.84546	0.4
343.13971	0.6
411.12668	0.9
427.14606	1.6
429.13968	1.3
445.15506	1.0
475.14633	1.9
528.46686	0.4
529.15674	0.9
531.24554	1.1
591.19244	84.7
592.19635	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	591.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
57.03442	0.3
58.00585	0.3
59.01373	5.8
59.90170	0.1
60.31154	0.1
61.98827	0.3
69.48524	0.7
69.48932	0.2
71.01374	5.4
72.99294	0.2
73.02943	0.5
77.03941	0.2
83.01376	0.3
84.02143	0.1
85.02943	4.7
87.00869	0.2
88.98801	0.3
89.00260	0.1
89.02431	3.0
89.03961	0.2
95.01374	1.8
95.05029	0.2
99.00880	0.3
101.02438	1.1
103.04051	0.1
104.02678	0.1
105.03457	0.5
107.04995	0.2
113.02436	9.2
115.01852	0.3
117.03454	1.5
119.03484	0.4
123.04544	0.4
125.02467	0.2
132.02162	1.7
133.02942	30.1
134.03162	0.6
135.04506	4.8
136.04889	0.2
143.03549	0.3
149.04520	0.3
161.02420	100.0
162.02759	3.1
163.03944	0.1
179.03465	2.0
183.10313	0.1
429.17532	0.8
456.99091	0.1
531.28119	0.4
573.19513	0.2
591.20740	40.4
592.21069	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	591.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04790	0.2
57.03442	0.7
58.00607	0.3
59.01376	14.3
59.37717	0.2
59.65463	0.2
59.88123	0.2
61.98820	2.0
67.01878	0.2
70.70925	0.2
70.71234	0.3
71.01379	6.5
72.99308	0.4
73.02938	1.0
77.03984	0.3
83.01389	0.8
85.02947	5.3
85.03461	0.3
87.00874	0.4
88.98796	1.8
89.02440	3.5
95.01366	2.0
96.00064	0.2
96.96019	0.7
99.00858	0.5
101.02444	2.4
105.03444	0.7
109.02953	0.3
113.02441	10.1
114.02828	0.2
115.01853	0.2
117.03455	1.7
119.03504	1.3
119.05099	0.2
121.02941	0.4
123.04517	0.4
132.02164	1.9
133.02950	31.4
134.03415	1.0
135.04510	5.8
136.04994	0.2
137.02429	1.1
139.04053	0.2
147.91573	0.2
161.02429	100.0
162.02780	3.6
177.05551	0.5
178.02682	0.4
179.03465	2.9
221.04536	0.6
222.53238	0.2
236.00948	0.2
251.05353	0.3
280.07468	2.0
281.06613	0.5
295.09698	0.4
341.08826	0.9
369.09750	5.1
369.14246	0.3
370.10196	0.3
381.09729	0.3
429.17249	0.5
476.13165	0.3
531.27563	1.0
573.19525	0.9
591.20758	40.5
592.21210	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	591.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98428	1.6
55.01861	2.7
58.00598	3.0
59.01375	100.0
61.98824	36.3
67.16550	2.0
69.47556	3.5
69.47975	7.7
71.01376	60.5
71.55569	1.5
72.99287	3.6
73.02935	5.7
75.00861	3.3
79.05526	3.1
80.97530	1.6
81.07103	2.7
83.01350	3.9
85.02943	15.3
87.00843	4.0
88.98784	4.8
89.02441	54.3
95.01375	3.2
95.04979	2.1
96.95979	3.0
97.02999	1.9
97.06504	1.6
99.04510	20.3
101.02428	32.9
107.04995	3.7
108.02145	2.0
111.04485	5.4
113.02448	21.8
119.03506	19.6
119.04923	2.9
120.05758	1.8
121.06557	2.3
123.04491	2.5
129.01913	5.2
131.03517	4.4
133.02890	1.8
135.04543	3.1
143.03468	6.1
145.02995	1.7
147.11804	3.7
149.04570	2.4
161.02431	5.3
161.04520	6.2
161.13354	29.7
163.04012	2.5
173.13367	2.5
179.05614	18.8
185.09680	3.1
185.13351	5.0
187.11275	60.3
188.11612	2.5
199.11359	2.1
203.14305	4.0
205.12308	51.1
206.12561	1.7
229.12317	24.9
231.10252	5.8
247.13452	8.2
249.11296	68.4
250.11528	2.6
259.13153	2.5
272.39359	2.1
273.11261	4.5
276.29733	1.7
291.12393	13.1
318.39801	2.0
321.13431	6.7
330.44336	2.0
351.14459	23.4
352.14911	2.4
385.18610	11.4
392.16013	1.9
411.16663	23.5
422.87137	1.7
429.11752	4.0
429.17593	74.1
430.17883	7.0
471.18655	14.2
501.19754	15.5
531.12799	4.0
531.20764	67.7
532.20984	6.4
549.25488	6.0
573.21356	2.2
591.23004	45.2
592.22852	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	591.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02698	1.6
52.33517	1.7
58.00577	3.2
58.60862	1.8
59.01378	93.5
59.90175	1.8
60.06476	1.5
61.98825	15.0
69.28246	9.7
69.28663	5.4
71.01379	61.1
72.99306	4.0
73.02942	6.7
81.07088	3.4
83.01393	7.0
83.05027	2.9
85.02948	13.1
87.00891	5.2
88.98792	7.3
89.02442	49.7
95.01391	4.5
95.05058	2.1
99.04508	16.4
101.02435	35.3
105.38885	1.8
107.04980	2.6
109.02979	1.9
109.78801	1.7
111.00908	3.1
111.04514	4.9
113.02457	19.2
119.03491	19.1
123.04552	2.3
125.02451	2.3
131.03543	2.6
132.02133	2.1
133.02945	27.1
135.04536	12.9
137.02448	22.3
141.07506	1.7
143.03500	6.0
147.11766	3.0
149.04576	2.1
159.04492	2.3
161.02441	100.0
161.04561	4.2
161.12360	1.8
161.13367	18.6
162.02789	3.9
169.10225	1.9
170.41093	1.7
172.05347	2.7
179.03479	6.2
179.05583	11.5
185.13339	8.1
187.07628	12.2
187.11273	41.9
202.06305	10.7
203.14371	2.1
205.12318	44.1
221.04533	2.1
229.12302	15.8
231.10208	14.1
235.54289	2.0
241.12511	1.8
247.13347	4.7
249.11305	79.3
250.11612	3.2
259.13358	2.2
273.11029	2.4
291.12430	13.2
321.13269	3.6
351.14288	13.5
385.18683	6.2
411.11426	1.2
411.16571	39.5
429.17609	88.0
430.17926	6.5
471.18835	10.6
501.12567	2.2
501.19388	11.8
531.20905	39.8
532.21271	3.8
555.19043	3.0
573.19739	55.3
574.19989	6.4
591.22571	57.0
592.22400	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	591.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70110	1.9
58.00592	4.4
59.01377	100.0
61.98831	21.7
71.01379	58.2
72.99296	6.8
73.02921	4.5
75.00867	3.1
79.05492	2.7
80.70506	1.6
83.01379	5.7
83.05008	2.0
85.02947	13.7
87.00848	4.8
88.98793	7.0
89.02439	58.8
93.07126	1.9
95.01386	3.4
97.90926	1.6
98.20711	2.7
99.04509	19.1
101.02431	36.7
107.05000	3.4
111.04501	7.6
113.02439	24.5
119.03497	20.9
119.04997	2.2
125.02378	2.3
131.03487	2.8
133.02919	7.6
135.04486	7.3
137.02371	3.0
137.06076	2.2
143.03487	5.5
147.11746	4.0
161.02429	26.5
161.04547	6.6
161.09668	2.0
161.13341	23.1
177.05632	2.0
179.05621	17.5
185.09644	4.6
185.13281	5.6
187.07558	2.2
187.11264	50.0
188.11591	3.6
202.06270	2.8
203.14435	2.5
205.12335	59.2
206.12617	3.5
219.13834	2.5
223.54080	1.9
229.12329	16.2
230.12531	2.2
231.10234	6.0
247.13335	5.3
249.11292	81.9
250.11603	2.7
259.13361	3.1
273.11340	4.4
291.12296	13.3
321.13348	6.3
325.55344	1.9
351.14407	20.8
351.20953	2.0
385.18576	7.5
411.16565	32.2
429.17587	99.4
430.18051	9.6
453.17084	2.5
471.18686	11.9
501.19568	17.7
531.20837	50.2
532.21014	2.4
539.83295	1.9
547.27277	2.8
573.19885	15.9
591.22827	62.2
592.23181	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	591.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
58.00591	2.3
59.01376	100.0
61.98826	25.6
66.88021	1.9
69.22808	15.1
71.01375	51.8
72.99297	4.4
73.02940	4.9
81.07076	1.8
83.01376	6.2
83.05001	2.9
85.02938	12.9
87.00893	4.1
89.02437	49.5
95.01378	3.5
97.02974	2.1
97.06562	3.1
98.20717	4.0
99.03638	1.9
99.04520	13.5
101.02428	32.3
105.07089	2.1
111.04527	4.6
113.02438	23.0
117.03468	1.8
119.03487	20.0
121.06582	1.7
129.01921	10.5
131.03542	2.2
131.98929	1.8
133.02879	2.5
135.04469	3.0
139.04010	2.1
143.03458	4.7
147.11740	3.8
150.42212	2.1
161.02448	6.1
161.04567	6.2
161.13338	20.8
179.05618	16.4
185.09702	3.0
185.13350	6.6
187.11256	47.9
188.11501	2.6
203.14354	5.7
204.57861	2.1
205.12294	44.3
210.26228	2.3
229.12328	24.5
231.10197	2.2
247.13370	5.4
249.11305	57.0
250.11624	3.3
259.13275	2.0
259.25012	1.7
267.99286	1.7
273.11389	3.2
291.12430	13.9
321.13440	6.9
351.14441	19.9
352.13821	2.0
385.18555	7.9
390.10596	2.1
411.16528	23.7
429.17606	70.7
430.17905	7.7
471.18576	13.6
501.20020	11.8
531.20654	49.3
532.20850	4.7
573.18958	4.5
591.22815	36.9
592.23651	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	591.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41933	1.5
55.01862	2.0
58.00591	3.5
59.01377	99.5
59.64573	1.6
61.98834	3.1
69.57266	1.5
71.01378	54.6
71.52562	1.9
71.52966	1.7
72.99284	5.6
73.02952	5.0
81.07095	2.2
82.95412	5.8
83.01396	3.7
85.02941	13.6
87.00872	4.7
89.02441	58.7
92.24036	1.8
93.03432	1.8
95.01392	4.5
96.96008	1.8
99.04519	10.2
101.02434	35.4
105.32232	1.6
107.05049	2.2
107.19740	1.7
111.04527	2.4
113.02445	30.9
113.03168	2.4
119.03502	23.4
120.05867	1.8
125.02386	2.0
126.90402	2.0
129.01942	4.2
131.03497	1.8
135.04520	1.9
143.03491	5.4
145.02959	2.0
149.04564	3.7
149.99925	2.6
157.06499	1.6
159.08086	2.4
161.02393	3.5
161.04498	9.9
161.13313	24.8
164.86635	1.6
179.05615	19.3
185.09734	2.0
185.13301	3.8
187.11267	54.4
203.14453	2.4
203.69159	1.6
205.12321	61.1
206.12605	2.4
229.12373	9.2
231.10251	6.0
247.13388	4.6
249.11292	98.0
250.11494	3.5
291.12433	7.1
351.14365	2.2
385.18643	12.8
411.16568	35.2
412.16962	1.9
429.17596	100.0
430.17932	9.1
471.19006	2.0
492.01248	1.7
531.19696	1.7
532.41943	1.8
583.34332	1.6
591.23004	24.9
592.23358	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	591.2608
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
61.98815	1.0
70.06678	1.2
70.07075	0.9
89.13177	0.6
102.84452	0.5
106.06616	0.9
163.21948	0.6
230.59981	0.5
251.06688	0.5
443.22388	1.9
445.19812	0.7
455.22318	0.8
458.21515	0.8
459.21640	2.7
467.18365	0.5
471.21008	1.5
471.25742	2.0
472.18405	1.0
472.23215	1.6
473.23462	0.9
482.21124	1.4
485.19821	2.2
487.25574	3.5
497.23392	3.5
498.24051	0.6
499.21350	3.8
500.22107	12.5
501.22382	1.5
504.21570	0.8
513.23041	0.8
514.23657	1.1
515.24481	100.0
516.24786	13.9
547.27338	1.0
559.23499	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	591.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
57.03453	0.6
58.00591	0.4
59.01377	13.1
60.01719	0.1
60.99309	0.1
61.98827	2.7
69.03440	0.1
70.89743	0.3
71.01379	8.9
72.99298	0.5
73.02942	1.5
77.03962	0.2
80.91673	0.6
81.03460	0.1
83.01393	0.4
84.02168	0.2
85.02945	5.6
87.00880	0.5
87.04494	0.1
88.98809	1.1
89.02443	7.7
89.03969	0.2
95.01393	1.8
95.05031	0.1
96.96008	0.2
97.02921	0.1
99.00881	2.1
99.47607	0.1
101.02440	3.8
105.03462	0.7
109.02930	0.1
113.02448	9.4
114.02791	0.2
115.01951	0.2
117.03459	1.6
119.03511	0.9
121.02939	0.1
123.04547	0.3
123.21078	0.1
125.02423	0.3
131.03490	1.1
132.02153	1.8
133.02953	31.3
134.03163	1.0
135.04521	5.2
136.04819	0.2
137.02440	0.5
139.03999	0.2
143.03500	0.3
149.04546	3.8
160.01651	0.2
161.02434	100.0
162.02771	4.3
179.03484	2.1
179.05618	0.3
183.10245	2.3
191.05663	1.0
203.03532	0.2
205.05008	0.2
221.04472	0.2
221.06606	0.3
242.90346	0.1
251.07632	0.4
293.08804	0.2
305.06705	0.1
307.08362	0.1
311.09985	0.2
341.08954	0.3
365.18204	0.5
429.17545	0.5
430.17889	0.1
469.20609	0.2
475.12338	0.1
531.28204	5.1
532.28290	0.5
573.19702	0.4
590.19562	0.1
591.20770	36.4
592.21149	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	591.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33377	0.9
55.01872	1.2
57.03451	2.3
57.66985	1.2
57.75523	1.0
58.00592	3.0
59.01375	100.0
60.88719	1.1
61.98825	32.1
71.01378	39.7
72.99305	2.2
73.02943	12.9
78.34839	1.1
78.67758	1.1
83.01363	3.5
85.02943	7.3
87.00840	2.5
87.49108	1.2
89.02438	50.6
95.01391	1.4
97.02970	1.5
99.00875	19.4
101.01797	2.0
101.02437	27.7
113.02447	11.7
117.01918	1.0
118.95736	0.9
119.03484	2.7
125.02418	4.1
131.03485	9.2
133.02959	1.5
143.03471	3.3
149.04538	36.8
161.02423	3.6
161.04541	5.0
179.05585	1.6
191.05574	8.7
221.06586	2.6
251.07619	4.9
260.64185	1.0
289.55811	1.2
311.09772	1.3
343.28345	2.5
360.94144	1.2
469.31613	1.4
487.32727	32.1
488.32907	2.2
505.33829	15.4
506.34174	2.5
531.28027	27.8
532.28217	2.8
547.33582	1.1
591.33691	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	591.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02024	1.4
59.01376	100.0
61.98827	10.1
62.09978	1.4
63.58921	1.4
70.47923	2.8
71.01372	13.1
73.02942	5.0
75.93333	1.4
77.67126	1.3
82.60947	1.4
83.01389	4.2
85.02957	7.1
89.02455	2.1
97.02941	1.8
99.00863	3.2
101.02431	11.5
101.23170	1.3
109.04944	1.4
111.00919	1.6
113.02446	5.9
116.92852	3.6
125.02450	1.5
140.00375	1.6
171.13901	1.7
279.23184	4.0
343.28409	3.8
347.20331	1.9
487.32758	75.7
488.33041	7.2
505.33847	24.2
506.34021	2.5
531.27917	1.7
547.34680	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03429	2.0
59.01377	100.0
60.42116	0.7
61.98826	7.7
65.20428	0.7
71.01385	19.1
73.02944	7.1
75.00877	1.0
75.45269	0.8
79.41448	0.8
83.01367	2.4
85.02953	9.7
87.00868	0.9
88.98790	1.8
89.02436	11.7
95.01366	2.6
97.02929	1.6
99.00888	4.1
101.02440	10.2
113.02448	14.7
119.03484	1.9
119.87691	0.8
125.02409	1.7
131.03502	2.0
133.02940	1.5
135.04472	1.5
142.70197	0.9
143.03453	1.3
149.04503	5.3
161.02422	3.5
161.04530	4.9
163.76840	0.7
179.03419	1.8
183.19244	0.8
187.11200	1.3
191.05544	1.5
198.45526	1.0
243.19635	1.1
263.12851	2.2
297.24106	1.3
341.08545	0.9
343.28506	4.6
476.12698	1.3
487.32736	47.8
488.33151	5.4
505.33810	22.6
506.33978	1.8
531.27985	2.6
547.34747	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	592.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.65577	0.1
61.98825	100.0
62.98509	0.2
69.18743	0.9
69.19171	0.7
71.01381	0.3
78.98605	0.3
79.95720	1.3
80.96509	2.5
80.96957	0.2
89.11176	0.2
94.98097	0.5
98.19881	0.3
101.02480	0.2
106.31479	0.2
125.02451	0.3
148.99124	0.3
164.98651	0.3
209.11829	0.2
225.00705	0.8
255.03018	0.2
264.98050	0.2
284.03360	0.4
285.04224	0.3
293.21198	0.2
298.03226	0.2
371.14966	0.2
504.99823	0.2
512.98523	0.2
592.25775	0.3
593.15900	0.5
593.26270	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	593.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
61.98827	3.9
63.02380	0.4
65.00315	0.5
69.19094	2.5
69.19497	0.5
83.01384	0.4
93.03442	0.8
107.01391	1.9
107.17962	0.2
109.02938	0.3
116.90824	0.3
117.03487	0.4
120.02129	0.4
120.29374	0.3
125.02475	0.5
132.02191	1.0
133.02876	0.3
135.00870	1.4
143.04970	0.4
151.00371	3.6
153.01944	0.4
157.26231	0.3
159.04448	0.6
161.02518	0.4
163.00404	1.7
167.05002	0.4
169.06500	0.5
171.04472	0.7
174.03282	0.3
175.04042	0.3
178.99782	0.5
183.04462	1.0
185.06064	1.2
187.04044	1.3
189.05560	0.5
195.04552	0.4
197.06122	0.4
199.03978	0.7
201.05536	0.3
211.04010	1.9
212.04672	0.3
213.05522	0.7
227.03474	38.9
228.03865	2.5
229.05009	4.8
235.28899	0.3
239.03375	1.4
240.04184	0.4
241.05029	0.9
255.02963	74.2
256.03571	7.0
257.04553	3.5
259.06171	0.3
267.02881	0.3
283.02463	0.5
284.03232	99.8
285.03964	37.0
286.04330	2.1
299.05789	0.3
320.44540	0.3
327.04974	1.3
431.17953	0.3
593.15057	100.0
594.15375	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	593.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64820	0.6
55.96343	0.6
57.59677	0.7
63.02397	1.0
65.00318	1.0
67.46115	0.6
69.58507	0.6
69.67508	3.4
91.01907	0.7
93.03443	2.9
98.20633	1.2
104.67034	0.6
107.01370	3.2
107.21964	0.6
109.02921	1.5
117.03473	0.9
131.07227	0.6
132.02106	0.8
135.00873	2.2
137.44272	0.6
143.05022	2.1
151.00343	4.2
157.06567	1.1
159.04404	1.2
163.00337	3.8
164.01064	0.9
165.01930	0.7
169.06578	1.5
171.04549	1.0
183.04448	1.8
184.05269	0.8
185.06067	3.6
187.03983	3.3
189.05537	1.1
190.99841	0.9
195.04471	1.0
199.04044	1.3
200.04739	0.8
201.05527	0.9
211.04042	4.6
213.05528	2.6
220.55302	0.7
227.03484	53.3
228.03865	2.8
229.05035	15.9
230.05350	0.8
239.03456	2.1
240.04242	1.7
241.05011	2.3
255.02982	79.6
256.03564	7.7
257.04541	8.0
267.03052	0.7
283.02408	1.3
284.03259	58.4
285.04022	80.9
286.04300	4.2
494.93646	0.7
574.33929	0.7
593.15082	100.0
594.15375	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	593.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61392	1.5
59.01379	19.8
60.99304	5.1
61.98819	6.5
65.03638	3.0
65.03961	38.1
65.55783	1.5
65.67659	1.4
68.99799	3.2
69.03107	1.5
69.03440	8.5
71.01386	9.8
71.43709	2.4
71.44085	1.6
73.02952	3.4
73.89790	1.4
85.02952	3.3
88.98799	41.6
89.02438	3.6
93.03445	7.4
95.05003	2.9
101.02448	6.2
106.04277	1.8
113.02439	5.8
119.04999	5.1
121.06583	22.6
139.04008	52.4
144.48703	1.6
150.98817	1.6
157.60959	1.5
165.05573	29.3
171.13939	2.8
183.06607	23.7
185.11789	23.0
199.13373	6.1
209.04530	29.7
227.05475	4.2
227.12880	3.3
253.18781	1.8
255.02975	2.1
257.49371	1.8
284.03256	2.5
285.03925	3.0
327.10602	2.0
345.11734	11.0
371.14822	2.2
389.10858	4.0
513.23444	28.2
514.23145	2.1
557.22308	100.0
558.22607	8.0
593.15009	5.6
593.24121	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	593.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96926	0.1
59.01377	100.0
60.01715	0.6
61.98809	0.2
62.02839	0.2
64.93271	0.2
66.58794	0.1
69.17065	1.5
69.17454	0.3
71.01383	1.7
73.02948	0.7
83.01395	0.3
85.02946	1.0
93.03448	0.9
95.01404	0.2
99.00882	0.4
101.02441	1.2
109.02995	0.3
113.02457	1.0
121.02952	12.6
122.03773	0.9
135.04564	0.8
136.01712	0.5
137.02396	0.2
143.03519	0.2
147.04504	0.6
151.04028	0.6
159.02992	0.4
161.02441	0.4
161.04544	2.2
161.05954	0.4
162.03186	0.2
163.03938	0.4
177.05545	0.2
201.80048	0.2
356.12610	26.8
357.12936	2.0
371.14951	42.3
372.15271	3.9
372.19882	0.1
557.22638	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
58.26497	0.3
59.01376	100.0
61.90612	0.3
69.16797	0.3
69.17037	2.2
69.17452	1.4
71.01375	0.9
83.01382	45.6
84.01704	0.7
85.02962	0.4
93.03460	0.4
121.02946	9.1
122.03744	0.5
123.00874	1.1
136.05289	14.1
138.03200	0.9
147.04529	0.6
151.04077	0.3
161.04599	0.6
161.06004	0.4
168.04268	4.3
189.49142	0.3
235.09721	0.9
287.75803	0.4
311.77042	0.4
312.13657	0.4
356.12634	8.4
357.12695	0.6
371.14938	70.6
372.15311	4.9
607.49017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
59.01375	100.0
60.01696	1.3
61.98824	4.9
71.01389	2.1
73.02972	0.6
83.01379	40.9
84.01706	0.5
85.02979	0.9
88.98811	1.3
92.32780	0.5
96.55381	0.4
99.00919	0.5
104.00578	0.5
106.21278	0.4
121.02946	9.0
121.03760	0.6
123.00879	1.7
128.13554	0.4
128.46384	0.5
129.27872	0.5
133.02959	0.9
136.05287	14.7
138.03180	0.7
147.04427	0.6
161.02420	3.7
162.02748	1.3
168.04288	3.6
208.63988	0.5
227.03513	0.5
235.09702	0.9
255.03046	1.0
284.03265	0.8
356.12555	6.2
371.14935	89.5
372.15317	8.3
593.21545	1.9
593.35291	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2632
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
51.40362	0.6
52.11830	0.6
56.40942	0.7
59.01111	0.9
59.01375	9.8
61.98825	9.3
69.03431	0.8
69.22983	1.7
69.23399	4.2
70.63139	0.6
71.01371	5.7
73.02931	2.0
76.43094	0.6
78.98578	4.6
79.95238	0.7
79.95729	27.5
80.96510	48.6
83.01361	2.3
84.78490	0.6
85.02939	2.7
87.00871	0.7
88.98803	0.9
94.98078	12.3
96.95982	0.8
97.02924	0.7
101.02420	2.8
106.98061	2.8
107.49303	0.6
109.77827	0.6
121.02877	0.9
122.97577	3.9
125.02420	2.7
127.03997	0.7
131.80077	0.6
134.97568	3.4
136.99107	1.4
148.99161	4.3
152.98602	5.2
161.02449	0.7
161.04459	1.1
164.98622	8.0
182.99687	1.9
198.48404	0.7
206.99619	4.0
225.00722	16.5
227.03439	1.4
241.00270	1.1
243.01880	1.0
255.02921	2.8
274.28101	0.7
284.03223	4.3
285.03906	4.1
299.04437	3.5
330.17044	0.6
371.06433	1.2
371.14877	2.1
385.08096	1.1
399.09509	1.7
413.11075	1.0
441.14246	0.9
455.15857	1.7
489.34085	1.8
495.18997	1.5
538.71588	0.7
593.15875	5.1
593.26251	100.0
594.26599	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	593.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16496	0.4
57.79673	0.4
59.01373	2.5
61.98822	0.9
69.69506	0.4
69.97794	0.4
69.98116	1.7
78.95898	65.7
91.29707	0.4
96.96960	11.5
107.56779	0.4
107.72517	0.4
124.56818	0.4
125.31630	0.4
145.85591	0.4
150.98003	1.0
152.99577	93.2
153.99945	0.9
171.00621	2.3
222.98105	0.7
223.00102	9.8
241.01169	21.4
242.01486	0.6
255.02969	0.5
259.02203	1.6
259.20560	0.6
275.20395	0.4
277.21692	47.4
278.22128	2.0
284.03046	1.0
285.03961	1.0
315.04831	14.7
333.05939	1.5
371.15009	0.9
578.67139	0.4
593.27240	100.0
594.27570	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	593.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93289	0.9
55.01867	0.8
58.00595	2.9
59.01375	100.0
60.01699	1.0
61.98827	15.7
69.29615	4.5
69.30023	1.3
71.01376	50.1
72.99291	3.4
73.02948	1.7
80.54985	0.7
83.01392	0.9
85.02948	8.7
87.00875	3.3
88.98792	1.2
89.02437	73.0
95.01421	2.9
96.96017	1.4
101.02438	22.4
105.94247	0.8
113.02441	22.1
116.50705	0.7
119.03494	28.3
125.02428	1.2
129.01967	1.0
131.03502	2.8
143.03493	8.3
149.04549	2.5
150.03183	0.8
161.02502	1.4
161.04536	9.6
179.05591	39.2
180.50307	0.8
183.06645	1.3
215.09189	0.9
255.03014	0.8
284.03232	2.0
285.04095	1.4
454.20538	0.7
533.26166	2.3
593.15088	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03448	2.3
59.01376	100.0
60.01701	1.1
61.98829	2.8
69.03427	0.8
69.39214	3.8
71.01377	16.2
73.02938	4.5
83.01392	3.6
85.02944	10.8
87.00835	1.0
89.02452	2.2
95.01391	2.2
99.00882	2.3
101.02439	6.8
111.00865	0.8
112.01678	0.7
113.02449	9.3
119.03503	0.6
124.51640	0.5
125.02448	1.0
127.11308	0.5
143.03488	1.3
159.02963	0.6
160.58801	0.5
161.04559	2.8
213.18587	1.5
245.65317	0.6
277.28500	0.6
299.25824	1.9
304.94736	0.6
334.24789	0.5
345.30011	4.8
346.30579	0.6
356.12430	0.6
371.14966	0.8
423.10376	0.5
489.34290	79.0
490.34625	8.8
507.35312	35.2
508.35666	3.7
549.36353	11.5
550.36804	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03444	1.0
59.01380	100.0
60.01729	0.9
62.84886	0.9
69.23463	5.2
69.23871	2.0
69.28050	0.7
71.01382	12.4
71.60706	0.9
73.02959	3.5
83.01389	4.5
85.02950	9.5
87.00890	1.2
95.01423	1.9
97.02946	1.3
99.00890	2.4
100.04779	0.7
101.02448	7.6
108.36452	0.8
111.00912	1.1
113.02468	6.0
114.30280	0.7
143.03528	1.7
159.58363	1.0
161.04561	1.2
185.15509	1.4
297.24774	0.9
299.26050	2.9
345.30072	6.8
393.77930	0.8
489.34314	78.4
490.34729	8.3
507.35309	27.7
508.29291	0.8
508.35251	3.8
512.27234	0.9
549.36517	8.0
590.05371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
56.85839	0.5
57.03449	1.1
59.01375	100.0
60.01713	0.6
61.98828	3.9
66.56165	0.6
68.65359	0.5
69.03482	0.6
69.67072	2.8
69.73486	0.5
71.01375	10.9
73.02953	3.9
79.19952	0.5
83.01389	5.3
84.36115	0.6
85.02943	7.4
86.00140	0.6
89.02455	1.0
95.01406	1.2
97.02953	1.2
98.20635	1.0
99.00886	1.6
101.02444	9.0
111.00905	1.3
113.02438	5.3
125.02409	0.8
143.03525	1.2
143.10794	0.7
159.03018	0.7
161.04543	1.1
294.71759	0.6
299.26041	2.6
345.30139	5.6
383.45068	0.6
427.54492	0.6
441.32562	0.7
489.34293	56.2
490.34708	6.4
507.35327	25.4
507.43051	0.8
508.35587	2.9
521.42273	0.8
549.36517	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	593.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
57.03448	1.6
59.01377	100.0
60.01720	0.9
61.98826	8.0
69.03453	0.8
69.78541	4.4
71.01379	24.3
72.99290	1.4
73.02939	7.6
80.96510	1.9
83.01382	5.7
85.02949	11.1
87.00864	1.9
89.02437	6.7
95.01392	2.3
96.96039	0.9
97.02941	1.4
98.20693	0.9
99.00883	2.5
101.02440	14.3
104.30812	0.7
111.00880	1.8
113.02441	14.9
113.55369	0.9
119.03471	2.7
124.01621	0.7
125.02407	1.8
143.03534	2.0
161.04556	4.8
208.34122	0.9
227.03415	2.0
229.05048	1.5
253.21719	1.3
255.02939	2.9
283.22971	1.2
284.03265	4.6
285.04080	4.7
297.24377	1.2
299.25845	2.0
327.28726	0.9
343.93311	0.9
345.30072	11.2
356.12396	1.4
357.29959	1.1
364.13602	1.0
371.14786	4.0
441.31573	1.1
489.34290	79.7
490.34564	10.1
507.35327	29.0
507.42957	0.9
508.35645	1.8
549.36029	6.2
593.15106	6.7
593.26160	4.4
593.35547	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	23.9
65.69885	10.7
69.32763	100.0
70.46449	11.1
87.68845	12.6
96.95917	11.8
115.23811	12.3
288.18304	11.6
497.36636	15.6
509.20508	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	594.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24182	0.2
59.01376	8.2
60.01714	0.5
61.98827	100.0
71.01380	0.8
72.99287	0.2
75.58456	0.2
83.01389	2.0
83.01836	0.2
84.01719	0.3
85.02959	0.5
89.02464	0.4
96.89099	0.2
98.12298	0.2
101.02460	0.4
121.02985	0.5
123.00896	0.2
133.02969	0.5
135.04556	0.3
136.05327	0.3
137.05698	0.2
161.02470	0.6
191.05672	0.3
247.10065	0.2
371.15030	1.4
372.15262	3.7
373.15424	0.3
394.03897	0.2
490.34909	0.8
565.21216	0.2
588.38550	0.2
594.15948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
61.98828	100.0
68.37125	0.2
71.01379	0.4
71.52211	0.2
73.02933	0.2
83.01388	0.2
85.02953	0.2
88.98857	0.2
89.02446	0.2
93.03440	0.2
95.01341	0.2
96.96018	0.2
101.02470	0.3
113.02441	0.3
114.80589	0.2
133.02937	0.2
161.02457	0.6
191.05632	0.3
285.04013	0.1
301.32312	0.1
490.34802	0.5
531.24194	0.2
594.15680	0.4
595.23779	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04778	0.1
59.01377	4.8
60.01704	0.3
60.99309	0.2
61.98827	100.0
62.98544	0.2
63.54292	0.1
71.01384	0.7
72.99319	0.1
73.02946	0.2
75.00893	0.4
79.32582	0.1
79.86807	0.1
83.01382	1.4
84.01741	0.2
85.02962	0.3
86.83109	0.1
88.98808	1.0
89.02460	0.4
93.32710	0.1
94.06149	0.1
96.95371	0.1
98.20666	0.4
101.02449	0.3
105.63889	0.1
105.84564	0.2
106.21460	0.1
113.02404	0.3
117.64241	0.1
119.03519	0.2
119.05067	0.6
121.02937	0.3
122.40927	0.1
133.02979	0.5
134.03320	0.1
135.04567	0.2
136.05290	0.4
161.02435	1.4
162.02834	0.5
163.02913	0.4
163.04074	0.5
164.03229	0.2
177.01947	0.3
211.13474	0.3
229.14549	0.2
231.67238	0.1
255.03142	0.2
269.63052	0.1
283.10504	0.4
285.03839	0.2
286.04544	0.2
329.23239	1.1
356.12949	0.2
357.13226	0.5
371.14850	1.3
372.15295	2.2
373.15945	0.2
493.20911	0.2
594.14642	0.3
594.22205	0.6
595.23456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07127	1.2
52.16374	1.0
59.01368	3.9
60.78689	1.1
61.98820	1.3
65.03638	2.3
65.03962	32.8
69.03413	1.5
71.01373	3.1
71.52174	1.7
73.02946	1.6
85.02927	1.7
89.02449	2.3
93.03443	5.2
93.80343	1.2
95.05034	2.4
96.96014	1.5
101.02393	1.4
119.05006	5.4
121.06602	14.8
122.06974	1.5
123.12035	1.1
125.02399	1.4
135.04474	1.6
139.04001	68.7
140.04292	1.6
165.05554	17.7
183.06607	100.0
184.06996	2.9
190.88617	1.3
191.05428	1.7
201.32732	1.2
215.09216	7.0
216.09564	1.2
238.14896	1.2
313.06860	1.5
355.08133	7.4
379.16104	1.5
385.09348	4.5
433.15018	2.4
475.12576	2.9
482.95868	1.2
522.15332	1.4
595.16272	9.3
603.10461	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2884
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.81861	0.9
54.99820	1.1
61.98826	2.2
69.20765	9.5
77.21974	0.9
78.95898	58.3
89.80062	1.0
96.96944	8.5
152.99574	87.6
171.00624	2.5
207.43066	1.0
209.11784	1.4
223.00099	9.2
241.01187	18.8
259.02155	1.1
279.23279	57.0
280.23611	2.9
286.38086	1.1
315.04822	12.4
320.70703	1.1
424.83133	1.0
433.23126	1.4
453.33737	1.3
569.59833	1.2
595.28827	100.0
596.29132	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	596.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39590	0.1
59.01375	1.1
60.01682	0.1
61.01800	0.2
61.98827	100.0
62.98533	0.1
69.20737	0.7
74.43501	0.1
79.21701	0.1
98.20710	0.2
102.50744	0.1
263.20013	0.1
357.13016	0.1
372.15460	0.2
374.16129	0.2
389.96017	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	596.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.8
61.98827	100.0
62.98510	0.2
69.20547	0.5
69.20961	0.7
77.83967	0.1
83.01391	0.3
90.66885	0.1
98.20692	0.3
265.15247	0.1
341.75418	0.1
359.06949	0.1
373.16003	0.3
374.15897	0.3
382.71530	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	597.1281
Annotation	Yunnaneic acid F
Peak:m/z	Relative Intensity
54.05719	0.9
58.13621	0.7
59.01373	9.8
61.98826	24.3
65.03943	1.7
69.03441	0.9
69.32266	7.1
71.01374	6.5
72.99286	0.8
73.02962	1.0
74.99068	4.2
85.02934	1.1
87.00861	1.6
87.21464	1.0
89.02441	5.2
95.01329	1.1
97.72981	0.8
101.02443	4.1
107.05002	0.8
108.02174	9.5
109.02987	1.1
113.02453	2.1
115.42095	0.8
117.03456	1.0
118.98019	1.9
119.03449	2.1
119.04977	1.5
121.02927	2.0
121.06549	1.1
123.04494	1.3
132.02153	1.3
133.02957	27.6
133.06532	2.0
134.03673	2.7
135.04518	31.7
136.04904	1.0
137.02396	3.0
139.03966	2.4
145.02986	1.0
147.04504	1.8
149.06081	4.9
150.03226	2.1
161.02429	100.0
162.02776	3.1
165.05559	2.8
166.02647	2.7
177.05534	11.6
178.02722	1.1
179.03481	32.5
179.07066	1.1
180.04007	0.9
181.05029	4.5
183.06592	3.5
193.03355	1.0
195.06628	1.7
205.04932	0.9
209.04524	1.4
211.04297	1.6
221.04504	11.8
251.05585	11.0
281.06638	18.9
314.53293	1.0
315.11240	0.9
341.08722	10.8
387.09869	1.0
387.14407	3.2
417.15393	3.1
435.09625	12.2
435.15680	1.8
461.14227	2.0
477.13950	23.2
478.14590	1.9
519.14703	3.2
525.14508	1.8
535.12439	1.1
553.13733	25.6
554.13928	2.4
579.11652	2.1
595.75195	0.9
597.12714	39.7
598.12915	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	597.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.3
60.99304	16.2
61.98822	8.3
64.29605	0.9
69.71673	0.7
70.16689	0.8
71.01368	3.1
71.52590	1.1
73.02954	1.0
85.02979	1.1
87.00864	0.9
88.98800	100.0
89.02443	1.3
89.99129	1.3
101.02478	1.8
113.02419	1.3
117.24314	1.0
123.04499	2.6
129.69012	0.8
133.02942	15.6
135.04512	13.0
139.03970	0.9
145.02974	1.1
147.97276	0.8
150.03220	3.8
151.03978	4.5
161.02431	63.4
164.04819	0.9
165.05585	1.0
175.04106	0.9
177.05553	1.9
179.03493	15.5
203.03450	5.3
224.17598	1.0
323.07834	1.7
328.13678	0.9
341.08670	4.5
347.16916	1.1
440.56641	0.9
475.12381	39.0
476.12585	4.0
507.15027	42.9
508.15216	4.7
526.25079	0.9
597.19086	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
59.01380	1.8
63.83598	0.8
69.03464	1.0
70.60258	1.6
71.01377	4.1
72.99314	1.4
73.02922	2.3
80.03023	0.7
81.03449	1.1
83.01385	3.8
85.02935	2.6
87.00872	27.2
89.02438	1.0
93.03443	2.1
97.02912	1.7
99.00868	3.2
100.01620	1.1
101.02406	2.5
108.02152	0.9
109.02925	1.7
111.00871	28.7
112.98843	1.5
115.00338	0.8
117.05498	0.7
121.02930	2.6
122.03729	8.6
122.37569	0.8
123.00819	1.1
123.04496	2.5
129.01932	1.0
131.03468	2.2
133.02950	2.2
135.04466	1.1
136.01509	0.9
137.02415	1.0
139.04031	1.0
147.03001	1.6
147.04507	0.9
149.02419	19.5
150.03215	67.8
151.00389	1.3
151.04036	7.7
153.05573	0.9
161.02472	4.1
163.03961	1.8
164.04787	11.2
165.05554	78.1
166.02690	2.4
166.05894	2.6
173.00911	1.7
175.03851	0.9
176.04764	2.6
177.05420	1.3
178.06265	1.0
179.03510	5.3
179.07127	9.9
180.04236	6.1
181.05000	4.9
191.01891	1.5
191.03479	1.8
191.05525	1.8
191.07147	1.2
192.04170	0.9
193.08691	1.2
194.05841	4.6
195.06610	22.9
196.06931	0.8
205.05009	2.4
206.05833	1.3
207.06691	1.5
209.06470	0.9
209.08188	6.4
211.19284	0.8
219.02956	1.5
219.06540	1.2
221.08273	1.4
234.05261	1.7
247.06055	1.9
248.06694	1.0
249.03972	2.5
249.07692	5.4
250.04842	1.2
251.05502	0.8
261.07654	1.0
263.05679	1.1
264.06378	10.9
265.07205	7.2
276.06299	1.3
277.07111	1.9
279.08682	1.9
291.08633	1.7
312.34955	0.8
321.09729	1.3
337.09274	9.0
357.13324	1.9
369.13394	0.9
400.10065	0.9
413.12216	5.7
461.14493	42.0
462.14853	4.2
473.14438	1.1
487.16168	1.7
505.17294	2.6
517.16309	0.8
521.16614	4.4
531.14917	1.0
533.16394	1.3
579.17096	9.6
580.17273	1.2
597.18219	100.0
598.18457	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	597.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89087	1.5
59.01372	6.5
71.01372	8.1
73.02924	2.4
80.05260	1.5
85.02982	2.2
87.00877	19.0
93.03461	3.5
98.20695	3.6
99.00889	1.9
100.01691	2.5
101.02438	3.4
111.00886	14.2
112.98799	2.5
121.02944	5.3
122.03767	9.4
123.00879	4.5
125.68178	1.5
129.01933	1.6
131.03523	1.6
133.03017	2.2
135.04497	1.7
138.41727	1.8
141.77501	1.5
142.99837	3.4
144.44435	1.5
149.02451	15.2
150.03223	70.9
151.00386	1.6
151.03844	4.9
161.02429	5.6
163.03922	2.5
164.04793	9.9
165.05556	81.5
166.02681	4.0
166.05885	4.5
173.00919	5.0
173.26654	1.6
174.01758	2.5
176.04790	4.3
177.05612	1.9
179.03465	5.8
179.05705	1.8
179.07100	7.3
180.04272	5.1
181.05003	5.1
191.03494	4.8
191.07152	2.0
193.08638	2.1
194.05876	5.0
195.06619	30.5
205.05103	2.7
206.05820	2.8
207.06596	1.5
209.04510	2.8
209.08200	4.9
209.86560	1.6
219.03099	2.5
221.08170	5.0
234.05235	3.7
249.07712	2.1
261.03949	2.6
262.04904	3.4
264.06400	7.1
265.07141	5.3
276.06375	2.7
277.07187	5.7
282.08908	1.9
297.11093	2.5
327.12479	3.5
337.09238	20.9
345.13385	2.8
369.13437	4.4
375.14444	3.3
413.12598	3.6
427.80640	1.9
435.16058	1.7
461.14453	27.9
462.14804	1.9
521.16852	1.8
533.16724	6.3
547.07916	1.9
579.17108	12.2
597.18250	100.0
598.18628	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	597.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32597	0.9
59.01376	35.2
70.99859	2.4
71.01384	12.0
73.02930	3.4
75.00839	1.0
83.01381	1.7
85.02933	3.6
87.00877	7.9
89.02443	7.9
93.03441	2.1
99.00148	1.1
99.00882	3.3
100.01649	2.1
101.02424	4.8
111.00891	9.1
112.98799	2.8
113.02457	2.3
117.84922	1.0
119.03463	3.6
121.02914	4.4
122.03752	10.1
122.62547	1.0
123.00851	3.6
133.02925	8.2
135.04482	5.0
136.01645	1.3
139.04005	1.3
142.99887	1.6
146.03706	4.8
149.02420	22.1
150.03212	81.0
151.00371	1.7
151.03864	4.1
153.05544	1.2
161.01141	1.9
161.02426	28.3
161.04498	1.9
161.06001	1.9
163.03960	1.9
164.04781	11.8
165.05559	100.0
166.02684	4.3
166.05832	3.9
173.00841	4.5
174.01701	2.4
175.03972	1.5
176.04729	1.5
178.06300	2.1
179.03540	6.2
179.05569	5.0
179.07095	15.5
180.04315	7.7
180.67897	1.2
181.05000	3.9
191.03458	2.5
191.07083	2.0
194.05786	3.1
195.06606	63.0
196.06967	1.6
203.03569	1.3
205.05009	1.5
206.05734	2.3
209.08105	2.5
219.02908	1.8
221.08095	3.2
232.14568	1.0
243.11200	1.1
249.07619	2.6
261.03918	2.6
262.04776	4.1
264.06232	1.9
265.07050	4.3
276.06418	1.5
277.07214	5.8
297.11325	1.6
312.10028	6.9
327.12344	28.9
328.12561	2.0
334.49197	1.1
337.09268	19.1
357.13608	1.4
375.14423	15.1
399.14481	5.7
461.14484	17.3
521.16510	2.9
529.15546	19.9
530.15710	2.5
533.16284	3.1
573.17645	1.2
579.17126	7.7
597.18140	68.2
598.18555	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	597.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.0
65.03941	1.8
68.99790	1.2
69.86217	3.2
70.58928	0.6
71.01376	7.8
76.51275	0.6
83.01377	0.9
85.02950	1.6
85.38479	0.5
87.00864	5.7
89.02440	7.0
93.03432	4.2
95.01371	0.8
96.95998	1.0
101.02419	3.6
107.05059	0.9
111.00880	1.4
113.02431	3.3
114.08978	0.5
119.03510	2.9
121.06590	5.6
125.06079	46.3
126.06456	0.9
134.45529	0.7
150.03206	4.4
151.07649	15.5
152.07982	0.6
165.05582	3.5
169.08688	6.9
179.05649	1.0
195.06641	1.7
213.07660	28.3
214.08025	1.5
255.08652	1.2
337.09323	0.7
375.12915	100.0
376.13275	5.7
417.13986	1.1
461.14700	1.7
560.89044	0.8
597.18250	5.3
598.18219	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68549	1.3
59.01377	43.7
69.16884	13.0
69.17284	2.6
70.85873	1.4
71.01386	7.1
71.47169	1.5
72.62115	1.4
73.02921	2.6
75.96039	1.3
85.02905	3.0
87.00861	6.2
89.02468	3.4
99.00882	2.2
101.02438	2.9
110.91307	1.4
111.00859	4.1
112.98823	3.4
121.02934	5.6
122.03715	5.9
123.00878	4.0
131.03479	1.9
133.02943	5.7
135.04524	4.1
136.01659	1.8
140.18465	1.3
146.03732	5.9
149.02419	32.4
150.03220	72.7
151.03838	1.9
161.02429	20.9
161.06056	2.7
162.33694	1.4
162.34955	1.8
163.03972	1.6
164.04759	13.6
165.05551	100.0
166.02727	2.3
166.05922	2.9
173.00854	2.6
174.01770	2.1
179.03531	3.4
179.05678	2.4
179.07117	20.1
180.04297	9.2
181.05057	2.8
191.03386	2.5
193.08716	1.9
194.05760	2.5
195.06602	74.9
196.06946	2.6
205.05057	1.9
209.08238	2.5
221.08163	2.5
247.02426	2.4
249.07588	1.8
262.04770	4.3
264.06448	2.7
265.07193	3.0
276.06573	1.6
277.07080	5.6
297.11292	1.9
312.10031	12.9
327.12329	51.0
328.12732	3.2
337.09262	15.5
375.14447	24.8
376.14938	2.2
399.14313	3.1
461.14520	13.1
462.14529	1.8
493.60745	1.9
529.15479	15.7
533.16760	2.3
579.17206	7.2
597.18170	50.2
598.18286	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	597.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67203	1.6
58.78035	1.6
59.01376	56.5
61.98832	1.9
69.54327	11.8
71.01357	4.7
89.09637	1.6
93.03430	2.1
101.02427	2.5
121.02935	7.6
122.03788	4.5
133.02919	3.5
135.04501	3.7
145.02928	2.4
146.03732	9.6
149.02428	12.6
150.03217	59.9
151.03947	3.1
161.02460	10.0
161.04459	2.0
161.05991	3.0
164.04799	9.3
165.05559	84.1
166.02657	3.2
166.05972	2.1
179.03467	4.6
179.07124	30.0
180.04254	4.7
181.05061	3.9
195.06610	100.0
196.06937	5.4
209.04468	5.9
214.79506	1.6
222.24011	1.6
267.06506	2.8
297.11227	3.0
312.09891	3.9
327.12354	12.8
345.13327	2.3
375.14438	24.3
387.14386	3.1
405.15320	2.6
510.72253	1.8
553.14221	2.8
578.74579	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	597.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90951	0.5
57.03425	0.8
59.01378	9.2
61.98829	7.5
69.03447	0.5
69.47775	1.2
69.48186	2.3
71.01376	7.1
73.02940	2.3
83.01383	0.9
85.02946	2.2
87.00876	1.0
88.98783	0.7
89.02438	1.7
95.01360	0.5
101.02441	4.3
111.00858	0.5
112.56707	0.5
113.02430	1.9
120.61974	0.5
129.01938	0.5
133.02885	0.6
161.02473	0.5
163.04182	0.5
165.05588	0.6
187.13374	22.3
188.13724	0.8
209.04651	0.7
227.03532	0.7
228.03952	1.1
229.04076	1.7
255.02913	1.5
256.03244	1.7
257.03650	1.2
258.03552	0.5
284.03174	1.4
285.03790	3.1
286.04068	3.9
287.04529	3.8
288.04565	1.7
289.05142	1.1
331.17548	3.3
349.18640	100.0
350.19022	5.4
382.20633	0.6
389.55008	0.7
391.19489	2.7
477.23291	0.9
522.36932	0.6
597.15942	10.8
598.16693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98829	5.9
69.17681	1.6
69.18106	2.4
71.01373	2.8
73.02940	0.9
85.02962	1.0
87.00877	0.5
89.02457	0.6
93.03470	1.7
96.96008	0.4
101.02444	2.0
103.95950	0.4
109.02953	1.5
113.02458	1.3
121.02068	0.7
121.02948	14.3
122.03760	0.9
123.04543	0.5
128.57784	0.4
131.03513	1.0
135.04437	0.6
139.03957	0.4
143.03514	0.4
145.02956	0.4
147.04442	1.9
161.04626	1.9
165.05562	10.1
179.07111	3.4
187.13324	0.7
195.05116	0.8
299.12973	0.5
312.13400	0.5
329.13904	1.1
331.17581	1.3
349.18585	1.1
360.15732	10.1
361.16071	0.9
375.18076	60.8
376.18381	5.4
391.19672	3.3
501.37912	0.5
506.47751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	4.7
66.26711	0.4
70.25934	0.4
70.78056	0.9
75.16275	0.4
99.75863	0.4
99.92577	15.1
100.92670	0.6
100.93347	4.4
115.92072	100.0
116.92073	3.1
116.92859	3.4
132.92381	1.2
313.08578	0.4
597.28870	67.6
598.29138	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	598.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
61.98827	100.0
64.74986	0.2
65.03961	3.6
70.57623	0.2
71.01394	0.6
82.57384	0.2
88.98810	0.6
93.03454	0.6
96.96025	0.3
101.02428	0.3
108.64524	0.2
113.02438	0.3
116.92849	0.6
119.05044	0.4
121.06597	1.6
125.34953	0.2
137.02493	0.3
139.04002	4.3
163.04013	0.6
163.56480	0.3
164.04347	0.4
165.05630	1.7
170.88422	0.2
179.03479	0.4
183.06613	9.7
193.05136	0.3
209.04649	0.3
293.59491	0.2
322.51297	0.2
456.81433	0.3
510.13422	0.5
598.15155	0.4
598.24860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89674	0.2
59.01371	1.4
61.98825	100.0
68.06557	0.2
70.70212	0.5
71.01389	0.3
72.51748	0.2
73.02955	0.2
89.02478	0.2
89.99230	0.2
95.40488	0.2
101.02438	0.3
133.02971	0.3
161.02449	0.6
171.10307	0.3
196.68861	0.2
209.11894	0.6
213.02968	0.2
440.79276	0.2
459.23837	0.2
582.92041	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05988	0.4
59.01366	4.1
61.98825	100.0
69.18765	3.8
73.59180	0.5
77.12253	0.5
80.46555	0.5
106.92297	0.5
151.94615	0.4
155.40540	0.6
161.13069	0.5
168.93571	0.4
201.72928	0.4
255.23380	1.0
257.54974	0.4
305.93277	0.4
343.35294	0.4
494.03922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24210	0.2
55.15079	0.2
59.01373	0.7
59.55326	0.2
61.98825	100.0
65.03970	0.3
69.27237	1.9
71.01382	0.3
91.80428	0.2
101.02426	0.4
116.79733	0.2
127.35483	0.3
127.78162	0.2
139.03976	0.3
161.02557	0.5
162.02875	0.2
165.05649	0.3
171.07683	0.2
183.06642	0.4
195.06705	0.3
204.47523	0.3
281.17123	0.3
389.93951	0.2
446.08569	1.1
480.82153	0.2
600.14380	0.4
600.64478	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98828	100.0
65.03970	0.9
71.01405	0.5
71.52543	0.2
85.02964	0.3
89.02449	0.4
93.03473	0.3
95.05037	0.2
96.96001	0.2
101.02509	0.2
113.02397	0.2
121.06582	0.3
139.03996	1.7
140.04362	0.3
150.03287	0.4
161.02522	0.2
165.05530	1.0
177.77373	0.2
179.42899	0.2
183.01163	0.2
183.06639	1.2
184.06979	0.6
195.06743	0.4
217.05244	0.2
381.90884	0.2
446.08664	0.4
553.20062	0.2
600.19073	0.3
601.16595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25633	0.2
53.67171	0.2
54.29776	0.2
59.01364	0.3
61.73307	0.2
61.98825	100.0
69.26800	0.6
69.27225	0.7
78.91928	0.3
80.91699	0.7
89.02458	0.2
98.20677	0.3
98.55857	0.2
202.59862	0.2
234.86217	0.2
269.50040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.32721	1.9
69.33129	0.8
79.44995	0.3
83.47937	0.3
107.80295	0.3
153.29478	0.4
163.19281	0.4
492.80392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.375
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
63.06895	0.7
66.36378	0.6
71.31623	0.7
71.31954	0.8
133.61612	0.6
182.28065	0.6
183.73621	0.6
208.50023	0.7
220.10042	0.6
263.17511	0.6
403.80869	0.7
509.65619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	4.8
65.03956	1.0
69.03439	1.2
69.56557	0.8
69.56966	1.9
71.01348	0.9
72.99307	5.4
75.00868	0.8
83.05006	5.1
85.02978	0.7
85.06579	5.3
87.00876	1.4
87.39314	0.5
99.00867	0.7
101.00512	1.1
101.02428	1.6
101.06068	8.3
111.04509	2.8
111.06213	0.5
113.02456	0.6
114.13139	0.5
115.03996	8.1
123.00903	0.5
125.02441	0.7
126.06023	0.8
127.02076	2.3
127.05714	13.5
129.05583	6.5
129.07156	0.6
137.02417	0.5
139.02119	0.7
139.03983	1.0
143.05203	1.0
145.02924	0.5
145.06763	5.7
146.56154	0.5
149.02415	0.8
153.05576	0.5
155.03496	11.2
155.05125	3.3
156.03796	0.6
157.03154	1.0
161.02467	0.7
163.03984	1.1
164.04781	1.0
165.05478	1.4
166.02670	1.0
173.04720	0.5
173.06241	1.8
176.04782	0.6
177.01953	0.7
178.06381	0.5
179.03526	0.5
179.07091	2.0
181.05042	1.5
183.06573	1.9
191.03482	1.7
191.05585	2.5
191.07143	1.0
193.08672	0.5
196.30847	0.5
197.06238	0.5
198.70734	0.4
199.04158	2.1
203.03375	0.6
205.05026	1.1
215.03467	0.7
216.05573	0.9
217.05215	32.2
218.05699	1.0
219.02937	0.5
221.04427	0.5
221.08217	0.5
231.02945	0.8
233.04509	0.7
234.05261	0.9
236.46124	0.5
237.07535	0.7
242.58997	0.5
245.04556	0.5
246.05307	1.4
247.06067	1.2
249.07625	1.0
261.07681	1.0
262.04675	0.7
263.08972	0.5
265.07083	1.7
273.07608	1.3
276.06351	1.3
277.06992	1.5
288.06259	0.5
291.08716	5.8
295.08148	1.3
303.08780	0.9
317.08383	2.0
335.09433	1.6
401.10657	0.8
419.15271	0.5
427.10532	2.0
435.76590	0.5
539.15961	1.7
557.16449	0.9
601.15790	100.0
602.16034	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	601.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21041	0.7
59.01357	1.9
65.03961	38.8
69.03477	0.7
69.42269	2.9
69.42696	2.4
71.01371	0.9
78.95897	1.9
89.02447	1.6
89.99435	0.8
93.03451	2.7
95.05016	1.1
96.96004	2.3
96.96947	2.9
97.04417	0.7
101.02470	1.8
113.35262	0.7
119.05003	2.4
121.06587	15.7
139.04005	46.1
140.04340	1.8
165.05566	12.4
179.05557	0.9
183.06610	100.0
184.06924	3.5
240.21704	0.7
259.02286	1.4
341.10834	7.2
411.17593	0.8
414.33304	0.7
525.18311	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	48.0
61.98830	15.6
62.86463	1.2
65.03951	4.7
68.38044	1.2
71.01379	27.1
72.99316	8.6
73.02938	2.6
75.00838	1.9
83.01384	1.9
83.05022	5.3
85.02940	6.3
85.06583	5.0
87.00867	7.2
89.02444	37.2
93.03448	4.3
95.01332	1.6
96.19936	1.2
96.96018	1.6
101.00567	1.8
101.02429	16.0
101.06097	9.0
104.87593	1.2
105.06695	1.4
109.02930	1.7
113.02453	15.3
115.03999	6.7
116.76733	1.2
119.03487	18.9
121.02942	5.5
121.06577	1.4
122.03731	12.5
125.02456	2.3
127.02120	2.9
127.05724	11.8
129.05592	6.5
131.03502	2.7
133.02939	1.8
136.01643	1.8
137.02464	1.8
139.04008	10.0
143.03484	4.4
143.05145	1.2
145.02930	3.1
145.06789	7.3
149.02431	29.5
149.04390	1.6
150.03220	100.0
151.00380	1.4
151.03661	2.1
153.01910	1.3
155.03482	11.5
155.05219	2.5
156.55820	1.3
157.03148	1.4
161.02412	3.2
161.04517	4.9
163.03973	2.5
164.04723	7.5
165.05560	98.6
166.02863	1.3
166.05894	3.3
177.00519	2.5
177.01924	31.4
178.02486	1.4
179.04041	1.7
179.05620	17.3
179.07076	2.1
180.04305	6.0
181.05069	3.2
183.06601	11.6
187.70306	1.3
191.03415	2.4
191.05580	2.8
192.04283	18.0
193.05086	1.4
195.02951	3.0
195.06598	49.0
196.06906	1.9
207.06619	7.7
210.05272	4.8
217.05219	30.3
225.07634	6.9
232.72920	1.4
246.05331	2.0
265.07187	2.6
291.08713	5.0
293.08759	1.9
316.09418	3.3
331.11807	10.2
335.09433	2.0
373.08356	1.3
379.13828	4.6
387.12933	20.5
387.94949	1.6
388.13589	2.0
391.13861	5.4
405.13745	2.2
427.10739	1.7
439.16409	2.0
539.16101	1.6
553.19226	46.5
554.19446	5.8
601.15039	89.4
602.15564	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	601.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83273	1.1
58.00563	2.0
59.01374	35.4
61.98830	12.9
64.82555	0.9
65.03925	3.1
68.02407	1.0
68.99747	0.9
69.36576	1.6
69.36985	7.1
71.01376	27.0
72.99300	6.3
73.02891	3.1
83.01352	1.1
83.04983	4.0
85.02923	6.5
85.06575	5.5
87.00871	7.8
89.02437	35.4
93.03453	5.4
95.01300	1.2
99.00838	2.0
101.00457	2.1
101.01814	1.4
101.02429	19.7
101.06076	11.2
105.03397	1.0
106.28268	1.1
111.04481	2.6
113.02444	14.0
114.51055	1.0
115.04021	8.6
119.03508	15.7
119.04932	2.2
119.87357	1.1
121.02846	4.8
122.03750	12.2
123.04462	2.2
126.06013	1.3
127.02024	2.4
127.05713	12.0
129.05576	5.2
131.03433	2.4
133.02869	1.5
136.01578	2.4
137.02402	1.5
139.03978	6.2
143.03389	4.2
143.05188	1.0
145.02974	5.2
145.06763	5.7
149.02429	24.2
149.04282	1.5
150.03215	89.4
151.03485	3.1
153.01851	1.4
155.03482	10.8
155.05113	3.8
157.03090	1.9
161.04427	3.7
163.03885	1.6
164.04779	5.7
165.05559	91.3
166.02559	2.0
166.05850	1.6
173.06236	1.5
176.04636	1.3
177.01924	28.7
179.03339	1.8
179.05644	16.0
179.07080	2.6
180.04239	7.1
181.04901	3.1
183.06563	6.2
191.03436	2.3
191.05411	2.8
192.04277	17.2
195.02831	3.4
195.06607	44.6
196.06815	1.4
199.04076	2.0
207.06689	6.2
210.05173	2.4
216.05455	1.5
217.05209	31.8
225.07634	6.7
227.12332	1.0
231.02879	1.0
243.02876	1.0
265.07056	2.5
276.06277	1.3
277.06866	1.7
291.08670	4.9
293.08569	1.5
316.09283	1.9
317.08148	1.2
331.11853	7.1
335.09109	1.7
379.13425	2.1
387.12897	21.5
388.12784	1.1
391.13983	7.7
395.13226	1.4
405.13794	3.1
427.10498	1.8
469.90933	1.4
486.94742	1.1
539.15222	1.9
553.19275	41.3
554.18524	3.6
601.15222	100.0
602.15656	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	601.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12551	0.8
55.01863	1.0
57.03452	0.9
58.00590	2.8
59.01377	60.8
61.98831	19.2
64.73684	0.8
65.03963	1.0
65.86156	0.8
66.04205	1.0
71.01378	47.5
71.52348	1.2
72.99313	3.7
73.02953	4.3
78.81870	0.9
83.01405	3.1
84.06109	0.8
85.02952	10.0
87.00881	8.1
88.98820	1.5
89.02443	53.9
93.03471	3.1
95.01370	5.0
96.96021	3.3
99.00848	1.7
101.02435	28.9
105.01939	1.2
108.02167	2.3
111.00938	0.9
113.02444	21.2
113.03165	1.5
119.03493	25.0
121.02984	5.4
122.03741	14.8
123.04556	1.4
125.02449	1.7
131.03523	2.8
133.02986	2.4
134.21538	0.8
135.04506	7.7
136.01675	2.2
137.02455	2.4
137.06180	1.6
138.03232	1.1
139.03990	1.6
143.03461	6.1
147.04485	1.1
149.02443	33.3
149.04437	1.6
150.03210	100.0
151.00336	1.4
151.03734	3.2
159.02985	1.0
161.02486	2.0
161.04561	7.5
162.03252	2.1
164.04759	7.1
165.01938	2.9
165.05554	91.8
166.02721	1.3
166.05963	2.1
167.03346	0.8
169.05023	1.3
177.01913	42.6
178.02356	2.0
178.37944	0.8
179.03554	9.5
179.05659	16.9
180.04282	8.1
181.05109	2.9
183.06648	1.5
184.87567	0.9
191.03554	1.5
192.04269	24.8
193.04718	0.9
195.02982	5.1
195.06607	42.6
196.06967	1.3
207.06580	7.8
210.05432	3.9
217.05099	1.2
221.06689	2.0
225.07658	9.1
225.93132	1.0
293.12534	4.0
301.07126	2.7
307.08389	3.4
316.09628	3.4
318.97058	0.9
331.11792	15.1
373.13022	1.2
387.12952	20.8
387.17581	1.5
388.13559	1.1
391.13980	12.7
405.14111	1.5
439.16464	1.8
459.14783	0.9
553.19208	83.4
554.19507	7.2
601.21759	53.0
602.22461	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15226	1.2
55.01875	1.4
55.60761	1.1
57.03437	1.4
59.01372	13.1
61.98821	6.9
65.03961	50.1
68.99807	4.9
69.03448	11.7
69.89618	1.4
71.01380	14.7
71.53230	2.1
73.02923	4.6
80.91680	16.4
83.01386	2.3
85.02929	5.9
87.00895	2.2
89.02429	3.6
93.03452	10.9
95.05007	4.8
96.96003	1.5
99.00864	4.4
101.02450	8.6
103.05546	1.9
106.04218	3.2
107.05064	1.6
111.00880	1.4
111.08170	1.9
113.02426	5.2
119.05015	6.8
121.02966	1.4
121.06595	29.4
125.02416	1.9
135.03033	1.1
135.04512	2.8
139.04007	100.0
140.04280	2.9
145.02959	1.4
150.03218	2.7
157.08678	7.0
161.02344	2.0
161.04539	2.5
161.05809	1.3
163.04065	1.9
165.05557	40.7
179.03430	1.4
181.05099	1.7
181.12318	5.3
183.06599	30.5
185.09697	1.1
193.12234	1.2
199.13379	5.1
205.04974	1.4
205.12289	3.4
205.19112	1.2
209.04539	55.2
210.04893	2.2
211.13394	13.3
215.35686	1.2
223.13303	2.2
227.05603	3.2
229.14415	27.6
235.13243	1.6
253.14459	5.2
271.15485	2.9
298.25082	1.2
327.10947	3.4
345.11795	7.8
371.09595	2.0
389.10751	4.3
538.16583	2.6
557.25879	31.0
558.26208	3.6
601.25018	89.5
602.25507	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	601.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90571	0.5
59.99950	0.3
60.40891	0.4
61.98849	1.0
65.03960	47.4
66.04290	0.8
69.03471	0.8
74.62936	0.4
81.03413	0.5
93.03456	5.0
95.04504	0.4
95.05023	2.5
101.02441	0.5
103.05537	0.6
107.04995	0.5
119.05041	3.4
121.06590	19.1
139.04010	60.8
139.07639	1.7
140.04344	1.6
165.05566	19.2
166.05910	0.7
169.94803	0.4
170.47203	0.4
178.15254	0.4
183.06615	100.0
184.06926	3.4
195.06699	0.5
215.09229	42.2
216.09550	1.7
291.98178	0.4
435.09296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
65.24627	0.4
71.31821	0.8
96.79447	0.4
140.73393	0.4
190.24243	0.4
375.29059	0.5
405.99564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	0.5
59.01379	5.1
61.98825	3.6
65.04018	0.3
71.01374	1.4
71.52527	0.5
73.02934	0.8
79.95733	34.0
80.96503	0.7
83.05051	0.4
85.02969	0.5
87.00887	0.4
89.02447	0.5
95.95225	10.6
95.95820	0.7
96.96005	100.0
101.02425	0.8
108.02207	0.6
119.03495	0.4
136.93376	0.3
137.02426	0.6
138.97130	0.5
139.04008	0.6
141.95767	1.4
153.61545	0.3
161.02393	0.8
163.00684	6.4
164.01489	0.8
165.05499	0.5
165.69508	0.3
179.03519	0.4
225.11366	3.8
245.04851	1.4
287.05954	1.1
305.06982	8.1
306.07465	0.8
320.34320	0.5
328.37070	0.4
347.08038	1.7
377.09033	1.8
395.06558	0.4
403.10608	1.5
421.11584	1.0
431.10074	3.0
449.11154	5.8
450.11234	0.4
465.10754	4.7
466.10968	0.6
477.14081	0.5
603.17450	88.0
604.17816	9.4
604.27539	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32479	0.5
57.22090	0.6
59.01377	21.1
61.98827	13.9
61.99112	0.9
62.36887	0.6
65.63062	0.5
71.01379	16.6
72.99303	4.3
73.02940	3.9
75.00900	1.0
78.91900	0.7
83.01409	1.6
85.02974	2.6
87.00890	1.7
88.98801	0.6
89.02435	7.9
95.01379	0.9
96.96033	2.3
97.02959	0.9
99.00891	1.3
101.02430	7.9
105.03468	1.1
107.05045	0.8
109.02957	2.8
113.02443	8.0
116.92877	1.4
117.03460	0.9
119.03494	3.5
119.05064	1.4
121.02964	4.7
123.04559	2.0
125.02486	1.2
125.45641	0.5
132.02209	1.5
133.02950	28.8
134.03799	4.3
135.04523	28.8
136.04871	1.0
137.02422	3.1
139.04010	1.2
143.03520	1.0
147.04581	1.3
148.05353	1.0
149.02443	8.4
149.06090	4.8
150.03206	4.4
150.89326	0.6
151.04044	2.7
159.04506	1.1
160.01654	0.7
160.05206	1.1
161.02432	100.0
161.04613	2.6
161.05905	3.3
162.02766	3.6
163.04018	1.3
171.04405	1.2
172.05246	1.7
173.05869	0.7
174.03169	1.7
175.03993	2.9
176.04701	1.0
177.05547	6.2
178.02718	2.3
179.03488	33.6
180.03886	1.1
185.11800	3.8
187.04021	0.8
187.07643	9.7
188.04738	0.7
188.07985	0.7
189.05556	11.7
191.05534	0.7
193.05000	1.1
199.03958	0.7
200.04721	1.0
201.05579	1.3
201.09224	1.2
202.06274	1.3
203.03519	11.6
203.07016	2.0
204.04250	1.0
207.06586	2.8
213.09102	0.8
215.07062	2.2
219.06660	0.8
221.04526	7.8
227.03517	1.0
228.04207	0.9
229.08678	3.4
231.06586	6.4
231.10077	0.8
231.81123	0.7
233.04482	1.7
233.11806	1.2
251.05618	4.0
257.05710	0.7
257.08191	6.5
257.12875	1.7
273.07520	0.9
275.09137	0.8
281.06598	7.7
282.07022	0.6
317.09836	1.0
319.13806	0.7
323.07626	1.7
341.08740	28.7
342.08926	1.8
375.10880	0.7
437.14951	0.6
441.17621	7.6
442.17499	0.6
491.11499	1.0
499.29260	3.2
505.13467	3.0
506.14240	26.0
507.14188	2.6
527.15369	5.1
543.27631	2.1
559.17847	3.3
561.28424	2.5
571.18188	11.5
572.17932	1.3
585.25555	1.0
603.20239	34.8
604.20410	3.9
606.33569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32479	0.5
57.22090	0.6
59.01377	21.1
61.98827	13.9
61.99112	0.9
62.36887	0.6
65.63062	0.5
71.01379	16.6
72.99303	4.3
73.02940	3.9
75.00900	1.0
78.91900	0.7
83.01409	1.6
85.02974	2.6
87.00890	1.7
88.98801	0.6
89.02435	7.9
95.01379	0.9
96.96033	2.3
97.02959	0.9
99.00891	1.3
101.02430	7.9
105.03468	1.1
107.05045	0.8
109.02957	2.8
113.02443	8.0
116.92877	1.4
117.03460	0.9
119.03494	3.5
119.05064	1.4
121.02964	4.7
123.04559	2.0
125.02486	1.2
125.45641	0.5
132.02209	1.5
133.02950	28.8
134.03799	4.3
135.04523	28.8
136.04871	1.0
137.02422	3.1
139.04010	1.2
143.03520	1.0
147.04581	1.3
148.05353	1.0
149.02443	8.4
149.06090	4.8
150.03206	4.4
150.89326	0.6
151.04044	2.7
159.04506	1.1
160.01654	0.7
160.05206	1.1
161.02432	100.0
161.04613	2.6
161.05905	3.3
162.02766	3.6
163.04018	1.3
171.04405	1.2
172.05246	1.7
173.05869	0.7
174.03169	1.7
175.03993	2.9
176.04701	1.0
177.05547	6.2
178.02718	2.3
179.03488	33.6
180.03886	1.1
185.11800	3.8
187.04021	0.8
187.07643	9.7
188.04738	0.7
188.07985	0.7
189.05556	11.7
191.05534	0.7
193.05000	1.1
199.03958	0.7
200.04721	1.0
201.05579	1.3
201.09224	1.2
202.06274	1.3
203.03519	11.6
203.07016	2.0
204.04250	1.0
207.06586	2.8
213.09102	0.8
215.07062	2.2
219.06660	0.8
221.04526	7.8
227.03517	1.0
228.04207	0.9
229.08678	3.4
231.06586	6.4
231.10077	0.8
231.81123	0.7
233.04482	1.7
233.11806	1.2
251.05618	4.0
257.05710	0.7
257.08191	6.5
257.12875	1.7
273.07520	0.9
275.09137	0.8
281.06598	7.7
282.07022	0.6
317.09836	1.0
319.13806	0.7
323.07626	1.7
341.08740	28.7
342.08926	1.8
375.10880	0.7
437.14951	0.6
441.17621	7.6
442.17499	0.6
491.11499	1.0
499.29260	3.2
505.13467	3.0
506.14240	26.0
507.14188	2.6
527.15369	5.1
543.27631	2.1
559.17847	3.3
561.28424	2.5
571.18188	11.5
572.17932	1.3
585.25555	1.0
603.20239	34.8
604.20410	3.9
606.33569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	3.4
59.01378	23.4
61.98816	3.5
69.03459	3.3
69.41259	6.1
69.41686	4.0
71.01376	18.8
73.02939	2.8
74.99096	41.9
83.01370	2.8
85.02962	3.3
86.99084	2.0
89.02438	7.2
93.03440	1.5
96.95995	4.9
98.95567	1.6
99.00907	1.7
101.02446	7.6
107.05012	2.5
108.02149	7.6
111.47110	1.4
113.02430	6.9
118.98087	4.8
119.03526	3.7
119.04977	3.7
121.02888	2.1
122.03714	2.9
123.04539	1.4
123.99827	1.4
125.02423	3.2
133.02936	2.1
133.06604	9.8
134.03705	3.1
135.04538	10.1
139.03981	1.5
141.12856	4.9
143.03496	1.4
147.04523	9.1
149.06049	6.8
151.02194	1.7
151.07643	1.8
151.11263	2.0
159.04486	1.6
161.02455	2.8
161.04500	2.0
165.05602	1.7
171.13890	14.3
172.14235	1.7
177.05620	8.6
179.05528	1.3
181.03316	4.8
181.12334	1.7
183.04771	1.6
185.11813	65.7
186.12097	2.3
189.28477	1.5
193.03302	16.5
199.13377	41.4
200.13620	1.6
203.03546	1.5
209.11868	6.5
211.04359	9.4
227.12885	38.6
228.13190	2.0
248.74301	1.4
257.13876	3.6
287.15021	3.7
299.11292	1.8
315.10791	3.6
347.16879	1.9
363.11057	1.8
483.22211	3.9
487.18167	1.5
499.28973	1.9
559.22168	12.4
585.20184	2.6
603.21100	100.0
604.21399	10.4
626.09723	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02051	0.5
59.01372	0.9
60.99306	17.4
61.98812	0.9
70.10838	1.8
79.73374	0.5
87.00871	1.9
88.00407	3.9
88.98804	100.0
89.02438	30.9
117.65217	0.5
142.55826	0.5
183.60966	0.6
277.21695	0.9
370.22934	0.5
392.58197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00172	0.9
59.01358	1.5
61.85088	0.9
61.98823	1.7
65.03960	32.9
66.04277	1.4
69.03437	1.3
69.15877	6.9
69.16286	2.3
71.01362	2.3
80.36143	1.0
81.03469	1.3
89.02460	1.3
93.03447	4.0
95.05016	5.0
96.96003	1.2
98.20608	2.2
99.72962	1.0
101.02419	1.5
109.02983	1.0
119.05003	4.1
121.06593	16.4
130.08739	1.0
135.04514	4.4
139.04007	78.5
140.04332	2.9
161.02440	1.2
161.04544	1.1
165.05550	20.4
166.05841	1.4
178.45354	1.1
183.06606	100.0
184.06934	3.9
191.05666	1.0
215.09216	40.6
216.09543	1.3
265.04608	1.1
302.81094	1.0
603.16888	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12342	0.9
55.17138	0.9
55.39574	0.8
56.58644	0.8
60.99298	17.2
61.98817	1.5
69.26740	2.0
69.27144	5.3
74.92385	0.8
87.00848	1.0
88.00409	4.1
88.98798	100.0
89.02436	24.6
107.54270	0.9
110.50842	0.8
158.06282	0.9
164.80817	0.9
174.25009	1.0
198.78232	0.9
334.45667	0.9
391.69559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12462	0.7
59.01376	1.9
61.98825	1.4
65.03960	37.0
68.23284	0.7
69.03428	1.3
69.15013	4.9
69.15438	2.8
69.29792	0.7
76.48431	0.7
81.03447	1.1
89.02458	1.1
93.03470	5.2
95.05003	3.8
96.96013	2.3
98.19859	1.7
101.02439	1.4
119.05032	3.2
121.06579	15.4
135.04468	1.7
139.04005	79.8
140.04291	1.5
140.67091	1.0
150.03156	1.4
165.05553	20.4
166.05888	1.0
172.09775	0.9
183.06607	100.0
184.06996	3.5
191.05600	1.0
195.06680	0.9
210.54552	0.6
215.09213	36.5
216.09517	1.7
312.91132	0.7
557.32098	1.0
562.65540	0.9
603.16901	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.7
61.98828	6.2
65.03959	48.8
66.04286	1.5
67.94303	0.9
69.03452	1.2
69.37246	1.9
69.37663	3.6
79.95732	1.6
89.02464	0.8
93.03474	4.8
95.05000	2.5
96.95992	6.3
106.04221	0.9
119.05001	3.2
121.05707	1.3
121.06584	21.7
139.04005	66.7
139.07645	2.2
140.04291	1.3
145.02928	1.1
153.05562	1.1
163.03972	1.3
165.05566	20.2
166.05829	0.9
181.05070	2.0
183.06609	100.0
184.06911	4.7
195.06668	0.9
211.06021	1.8
215.09215	55.1
216.09544	2.9
280.72079	0.8
292.72556	0.8
304.12625	0.7
564.09021	0.9
603.17352	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.7
61.98828	6.2
65.03959	48.8
66.04286	1.5
67.94303	0.9
69.03452	1.2
69.37246	1.9
69.37663	3.6
79.95732	1.6
89.02464	0.8
93.03474	4.8
95.05000	2.5
96.95992	6.3
106.04221	0.9
119.05001	3.2
121.05707	1.3
121.06584	21.7
139.04005	66.7
139.07645	2.2
140.04291	1.3
145.02928	1.1
153.05562	1.1
163.03972	1.3
165.05566	20.2
166.05829	0.9
181.05070	2.0
183.06609	100.0
184.06911	4.7
195.06668	0.9
211.06021	1.8
215.09215	55.1
216.09544	2.9
280.72079	0.8
292.72556	0.8
304.12625	0.7
564.09021	0.9
603.17352	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	603.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.99290	0.9
61.98826	5.8
71.00525	1.8
71.01376	5.7
72.99295	1.0
73.02949	2.1
83.01400	2.0
83.05024	1.1
85.02967	2.1
86.20245	0.7
88.98793	4.3
89.02458	1.5
95.01411	1.0
101.02457	2.9
113.02455	1.8
116.92904	1.7
119.03511	0.6
125.09720	0.9
163.11307	0.9
171.10320	1.6
185.12146	0.8
209.11810	28.0
210.12206	1.3
227.12938	3.2
249.11566	0.8
266.26648	0.8
307.19476	0.8
307.23630	0.7
325.92783	0.7
355.28662	1.4
499.32751	27.4
500.32932	3.3
517.33685	11.6
518.33936	1.2
559.35535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50785	0.4
59.01385	0.7
61.98827	100.0
71.08868	0.9
75.00857	0.5
75.39664	0.5
75.76151	0.5
83.27841	0.5
96.96017	0.5
110.31826	0.5
205.43636	0.5
301.13019	0.5
335.80756	0.5
356.60733	0.5
378.52197	0.5
428.22339	0.5
487.34222	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00172	2.6
58.58061	2.3
61.06633	2.3
64.56685	2.1
69.50896	13.8
69.51305	3.6
83.01382	45.5
85.21378	2.4
91.59653	2.2
96.84620	2.3
101.03626	2.1
119.43969	2.6
121.02962	7.0
122.03716	11.1
123.04493	2.7
135.04536	2.6
137.06078	10.7
147.04433	4.2
161.02406	7.5
191.51865	2.6
221.08066	3.3
253.03200	2.5
266.45966	2.4
342.11050	6.4
357.13397	100.0
358.13672	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	605.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	1.5
59.01374	24.3
61.98837	10.7
71.01381	17.0
71.52311	2.4
73.02935	3.7
74.99084	1.8
83.01389	6.2
85.02943	4.4
87.00832	2.1
88.98795	2.3
89.02428	7.0
99.00871	1.6
101.02426	7.6
108.67324	1.2
109.02995	1.3
111.00876	5.5
113.02436	5.5
117.03474	2.7
118.98077	1.9
119.03469	3.8
119.05007	3.4
121.02956	5.3
122.03709	1.5
123.04532	1.3
125.02417	1.6
132.02176	1.7
133.02945	29.1
133.06526	1.5
135.04523	15.0
136.00615	2.0
136.01646	30.9
137.02351	2.6
145.02942	6.7
149.06064	1.3
150.03185	3.5
151.04002	45.7
152.04294	1.8
159.04497	1.7
161.02434	100.0
162.02777	3.5
163.03975	3.8
165.04022	1.3
165.05550	1.4
175.03969	1.2
177.05450	2.1
179.03522	7.8
185.11882	1.2
187.02423	1.3
187.03996	3.2
187.07607	4.9
187.13411	6.0
196.33496	1.2
201.14954	4.7
202.06348	4.9
209.88020	1.2
218.73627	1.4
221.04530	1.8
229.14476	1.4
231.10126	4.9
342.10962	3.1
352.76236	1.3
356.12250	2.8
357.13385	50.2
358.13678	5.2
371.14990	11.8
411.16422	4.0
425.22028	9.7
501.29965	1.5
555.18707	12.0
561.23737	1.5
573.19702	25.9
574.20160	3.8
587.21179	17.4
588.21149	1.7
605.21967	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	605.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
59.01377	100.0
60.01710	1.2
61.98830	15.7
63.96241	1.6
69.03457	2.6
71.01382	44.7
71.52342	2.0
72.99305	3.5
73.02943	37.7
75.00863	2.3
83.01387	13.0
85.02957	9.8
89.02441	15.9
95.01375	3.8
96.96009	6.4
99.00892	2.2
99.04577	2.3
101.02443	38.5
113.02444	18.8
114.02663	1.2
119.03481	4.3
119.04993	1.9
120.69262	1.3
121.02952	1.7
125.02425	2.7
131.03505	4.4
133.02939	11.7
135.04495	5.6
135.98343	2.3
143.03474	4.2
145.02945	3.8
149.04594	2.4
155.03513	1.2
161.02440	46.3
161.04416	7.6
162.02766	2.6
163.04004	1.9
179.03485	1.9
191.05525	1.3
246.25563	1.4
341.13846	3.7
357.26443	1.3
391.48468	1.3
401.15793	2.5
501.30893	1.7
545.29413	2.9
563.30365	2.6
569.22382	33.3
569.31482	1.7
570.22516	3.7
605.20679	2.8
605.34515	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24919	1.1
55.01862	1.4
57.03430	1.5
59.01376	100.0
60.01701	1.2
61.98830	18.6
71.01377	16.2
71.53281	1.2
71.79215	0.9
73.02954	5.9
73.03291	1.1
83.01369	3.9
85.02946	8.3
87.00888	2.3
89.02435	5.6
95.01389	1.9
99.00876	1.8
101.02434	12.3
113.02461	10.0
119.03456	2.9
121.02940	1.3
125.02380	1.4
131.03459	1.3
133.02928	4.1
134.03726	1.0
135.04549	4.7
137.02473	1.1
143.03488	2.4
145.02914	2.0
150.03226	1.1
161.02437	9.2
161.04529	6.6
162.02661	1.2
163.03999	1.8
179.03407	4.9
191.05560	1.2
220.63637	1.0
221.04530	2.4
225.05251	2.4
236.45801	1.2
251.05536	1.9
253.04674	1.8
281.06668	1.7
305.04410	4.2
327.11993	1.3
341.08890	1.4
483.16141	2.5
489.17795	1.4
501.17505	3.8
501.30612	4.0
506.67706	1.4
519.31519	1.1
545.29791	3.4
563.30548	3.9
573.19666	3.0
574.19714	1.1
605.19940	2.7
605.33325	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	605.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26249	0.5
55.67371	0.4
58.53433	0.4
61.98815	0.7
71.41234	0.7
136.89461	0.4
160.04021	0.5
193.80295	0.4
201.23860	0.5
216.13275	0.5
233.78409	0.4
245.61491	0.4
301.74905	0.4
301.78830	0.5
415.15512	1.0
416.16095	0.7
429.17166	0.9
430.18060	0.9
441.20538	0.6
457.20215	1.4
459.17560	3.1
461.23422	0.5
470.20770	0.6
471.18436	0.7
472.18784	0.7
473.19769	3.4
474.20349	0.8
485.19589	1.5
485.24323	0.8
486.20703	2.9
487.20926	1.2
487.27557	0.4
499.17795	2.0
501.22815	2.4
502.20120	0.9
511.21286	2.3
513.19470	1.9
514.20062	8.5
515.20483	1.2
517.18677	0.6
518.19592	1.7
529.22418	100.0
530.22736	12.7
532.20917	1.3
533.22028	2.1
561.24634	1.4
573.21631	1.7
605.23895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
61.98825	100.0
65.55670	0.3
70.95596	0.5
70.95978	0.4
88.98831	0.5
103.09707	0.4
110.61531	0.3
133.02980	0.7
135.04555	0.5
161.02443	1.5
166.15610	0.3
266.77747	0.2
313.00110	0.3
343.12997	0.4
359.28101	0.4
588.99786	0.3
607.24689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1875
Annotation	Dimethoxyscytonemin
Peak:m/z	Relative Intensity
55.01896	0.4
59.01379	6.6
61.98823	2.0
69.03439	0.4
71.01373	4.5
72.99303	0.5
73.02923	1.0
75.00863	0.4
83.01408	0.4
83.64003	0.3
85.02945	1.2
87.00851	0.5
89.02441	3.9
95.01366	0.4
101.02433	3.1
103.11304	0.4
105.03442	0.6
107.05023	0.5
113.02427	1.6
116.92881	0.5
117.03450	1.4
119.03495	1.7
121.05053	0.5
123.04462	0.4
132.02170	1.4
133.02945	32.3
134.03635	0.7
135.02979	0.9
135.04515	14.2
147.06760	0.3
149.02434	0.4
149.06026	0.4
151.03949	1.2
158.49467	0.4
161.02425	100.0
162.02773	3.8
163.03954	1.0
177.05498	0.6
178.99706	0.4
179.03484	9.6
179.05582	1.1
180.67087	0.4
186.72302	0.4
190.24785	0.4
203.03395	0.5
220.51265	0.4
221.04501	0.8
251.05396	0.4
281.06735	0.8
283.10355	0.7
293.12399	0.6
304.45273	0.3
313.09286	1.0
427.12372	0.6
445.13367	7.7
446.13699	0.6
454.08264	1.0
607.18719	81.1
608.19366	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	607.2027
Annotation	Isosyringalide 3'-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
57.03441	0.4
59.01376	7.7
60.38826	0.3
61.98822	6.8
65.68000	0.3
67.26609	0.3
69.03450	4.3
69.27476	1.9
69.27905	1.2
70.03783	0.6
70.50439	0.3
71.01377	5.3
72.99306	0.7
73.02948	2.6
83.01418	0.4
85.02943	1.8
87.00873	1.4
87.04515	0.8
89.02422	2.3
89.03972	0.4
96.96000	0.4
97.01802	0.3
97.02959	0.6
98.20621	0.7
99.00880	1.2
99.05676	0.3
101.02435	3.2
101.06101	0.6
103.04021	0.8
105.01966	0.3
105.03447	0.5
107.05043	0.5
109.02958	0.3
111.00887	0.9
113.02427	1.3
115.04020	0.9
117.03459	8.5
119.03538	0.9
119.05018	8.5
121.02937	0.5
123.04517	2.0
125.02430	1.1
126.04351	0.3
131.03487	0.9
132.02185	2.1
133.02950	35.8
134.03787	1.7
135.04523	18.4
136.04903	0.6
137.02393	0.5
141.01976	0.3
143.03487	1.4
145.02948	22.9
146.03331	0.7
149.04561	0.4
149.06038	0.7
150.03247	0.8
151.03983	1.7
153.05568	0.8
161.02432	100.0
162.02776	3.3
163.03998	4.6
163.06061	0.7
175.04004	0.7
177.05585	0.9
179.03485	9.4
180.03827	0.4
185.00899	2.6
187.01410	0.8
189.32115	0.4
196.64087	0.4
203.03528	1.4
205.07198	1.1
271.02567	0.5
297.09647	0.5
443.15573	6.8
444.16031	0.4
445.14365	1.1
461.16580	2.9
473.12906	1.1
547.27020	0.5
589.19202	0.6
607.20355	79.9
608.20746	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	607.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50726	0.3
56.71677	0.3
58.00565	0.3
59.01376	6.2
61.74866	0.3
63.72885	0.3
66.97668	0.3
69.25852	0.7
69.26263	2.5
71.01376	5.2
75.00847	0.5
85.02948	3.7
87.00851	0.3
89.02448	3.3
95.01385	1.2
101.02439	2.0
105.03442	0.5
113.02448	6.6
116.57613	0.3
117.03467	2.2
119.03506	0.7
119.05032	2.3
120.14707	0.3
123.04524	0.7
125.08364	0.3
132.02176	1.6
133.02951	30.9
134.03557	0.6
135.04524	5.5
145.02959	3.2
149.04578	0.5
160.01547	0.3
161.02435	100.0
162.02779	4.2
163.03989	0.5
165.04068	1.0
179.03514	1.7
188.33176	0.3
191.45830	0.3
203.03419	0.5
247.17781	0.3
445.17105	0.9
461.16513	0.4
589.18793	0.4
607.20276	56.1
608.20679	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2562
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
61.98825	9.9
70.17900	5.0
70.18280	5.2
81.50491	3.1
210.28357	3.1
295.65088	3.1
368.45764	3.2
381.06247	3.5
431.22287	18.4
444.22989	4.3
445.23529	7.1
447.25574	6.3
457.20193	4.1
459.17450	3.3
459.25818	6.5
460.23138	22.0
471.21854	13.7
472.22733	32.3
474.20670	13.9
475.20328	8.8
475.25159	16.4
487.25034	90.0
488.25494	14.4
502.20230	25.3
504.25104	7.1
513.23737	6.7
519.27185	11.0
531.23975	100.0
532.24200	13.8
534.22424	7.2
545.25751	4.3
547.23346	6.5
548.24969	15.3
563.26428	24.9
575.35797	4.0
607.25616	21.8
607.34351	3.5
607.37347	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	607.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
57.03440	2.5
59.01375	69.9
59.22612	1.0
60.01711	1.0
61.98827	15.4
69.03457	1.6
69.57386	1.6
69.57792	5.3
71.01373	20.5
71.05009	1.1
72.99300	2.1
73.02948	6.6
77.08133	0.9
83.01368	5.7
85.02946	13.1
87.00854	3.1
87.04514	1.1
88.98785	2.1
89.02422	4.9
95.01366	1.6
96.17191	0.9
97.02956	1.7
97.06575	1.0
98.20649	1.5
99.00888	1.9
101.02422	11.9
111.00876	1.7
113.02436	9.9
116.25610	1.0
119.05037	1.9
121.50613	1.0
123.04501	2.0
123.08123	2.6
125.02454	2.4
133.02950	7.7
135.04518	8.3
141.09198	1.3
141.12790	1.2
143.03423	1.9
147.51941	1.2
151.04048	2.2
154.77878	1.1
161.02444	20.1
161.04555	2.8
162.02725	2.8
163.04060	1.3
169.12291	1.7
171.13905	2.2
179.03445	7.2
187.13365	3.5
203.03532	1.2
209.11819	1.8
299.02017	2.1
327.21719	1.3
329.23038	1.9
357.26431	1.1
359.28012	9.5
360.28241	1.3
409.14835	1.1
503.32190	100.0
504.32611	10.7
521.33319	29.8
522.33478	2.7
563.34491	7.9
565.30878	1.2
569.22266	3.0
607.16534	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	607.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56746	0.3
57.03432	1.1
59.01377	13.3
61.98824	2.0
69.03445	0.4
71.01382	2.6
72.99290	0.4
73.02939	1.4
78.95911	0.4
80.96514	0.3
83.01363	0.6
83.96693	0.3
85.02935	1.2
89.02430	0.8
97.02952	0.5
101.02437	1.9
109.02940	0.5
111.00898	0.5
113.02454	1.5
113.09698	0.3
117.93444	0.3
119.03472	0.4
123.04519	0.8
124.87865	0.3
125.02442	0.4
132.02185	0.4
133.02960	3.5
135.04514	4.8
149.04567	0.4
149.05960	0.3
150.03194	0.7
151.03986	1.7
161.02448	12.3
161.04485	0.6
162.02734	0.7
166.02708	0.5
175.04008	0.4
177.05566	0.6
179.03477	4.3
181.05072	0.8
191.05515	0.4
203.03474	1.3
229.51390	0.3
299.25766	0.4
311.25876	0.7
313.23810	5.3
327.25491	0.3
332.84378	0.3
341.26907	3.6
342.27536	0.3
357.26407	0.7
359.28000	100.0
360.28372	8.2
373.29578	1.2
401.28970	1.7
403.17502	3.0
443.30109	0.4
445.13724	0.5
473.12738	0.9
487.32672	1.6
503.32233	0.7
505.33832	1.0
547.34680	0.3
563.34320	6.1
564.34607	0.7
607.16150	4.4
607.24585	0.3
607.37250	2.4
608.17511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01374	4.4
64.92049	0.3
69.03434	0.4
71.01378	1.9
73.02957	0.5
83.01361	0.3
85.02946	0.5
97.02988	0.2
98.19918	0.5
101.02442	1.0
113.02409	0.6
119.24045	0.3
125.02480	0.3
133.02931	0.3
135.04550	0.5
159.19196	0.2
161.02417	1.3
229.59381	0.2
264.93869	0.2
295.22873	0.5
301.21677	0.9
309.24310	0.5
311.25861	0.9
313.23834	5.6
314.24197	0.3
327.25473	0.4
341.26907	3.8
342.26849	0.3
343.28561	0.3
357.26425	0.7
359.27988	100.0
360.28360	8.6
373.29572	1.6
401.28873	1.4
427.61765	0.2
434.86118	0.3
445.26007	0.3
463.26764	0.5
487.32761	0.8
547.38568	0.5
563.33820	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83730	1.0
55.01845	1.4
55.29479	1.0
57.03439	2.2
58.65081	1.0
59.01376	100.0
61.98828	12.8
65.03950	1.5
70.70950	1.0
70.77159	2.3
70.77530	2.0
71.01382	14.1
72.99303	1.8
73.02939	4.1
75.00873	1.6
78.78819	0.9
80.96521	1.5
83.01367	5.9
85.02939	7.4
89.02428	2.9
101.02439	10.2
113.02473	7.3
121.02876	1.4
121.06584	1.1
125.02454	1.8
133.02951	2.6
135.04503	3.0
139.04047	1.9
143.03502	1.6
151.11218	1.1
161.02473	7.6
161.04585	2.1
163.03877	1.3
175.07515	1.1
179.03552	2.0
182.80905	1.0
183.06461	1.1
189.59770	1.1
197.66216	0.9
201.59103	0.9
207.42198	1.0
209.11876	1.3
213.26553	0.9
221.04288	1.2
228.80457	1.1
241.18108	1.1
267.43658	1.0
279.23279	2.0
297.24002	1.3
341.26752	1.1
343.28485	4.4
357.13345	3.7
359.23492	1.2
359.27979	25.4
360.28296	2.0
389.10785	2.9
460.41193	1.0
487.32733	68.8
488.33157	6.3
505.33771	25.5
506.34003	2.8
547.34271	5.6
563.34204	4.3
607.23566	1.6
608.16150	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37158	0.5
51.52015	0.5
56.43343	0.5
62.19510	0.5
63.08555	0.5
65.00317	1.1
91.91400	0.5
98.19800	1.2
107.01393	2.1
108.02151	0.8
109.02943	1.2
121.02937	1.5
148.01678	1.1
151.00352	9.6
163.00371	1.5
170.59833	0.5
178.99835	5.7
211.03911	0.7
226.02751	0.6
227.03485	1.9
229.05106	0.6
243.02950	4.8
254.02234	1.4
255.02959	14.5
266.19986	0.5
271.02463	30.2
272.03024	4.1
273.04233	1.2
283.02448	1.7
299.01968	0.6
300.02728	97.2
301.03461	40.4
302.03860	1.2
343.04324	1.0
434.52774	0.5
527.89893	0.6
609.14563	100.0
610.14886	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	609.182
Annotation	Calceolarioside C
Peak:m/z	Relative Intensity
52.21191	0.3
57.01476	0.3
59.01383	4.7
60.30801	0.4
61.98800	0.9
67.39049	0.4
71.01376	7.8
71.29121	0.6
71.29455	0.4
72.99305	0.7
73.02936	2.0
75.05832	0.4
83.01374	0.9
85.02946	1.5
87.00869	1.5
89.02451	4.9
96.96007	8.9
98.95579	3.6
98.96188	0.4
98.96461	0.5
99.00875	0.9
101.02440	2.8
105.03430	0.8
107.04988	0.5
113.02430	1.3
116.92851	0.8
117.03447	0.8
119.03497	0.9
121.02953	0.6
123.04533	1.6
125.02454	0.7
129.01944	0.7
131.03508	2.5
132.02167	2.0
133.02953	32.2
134.03641	0.6
135.04520	20.3
136.04829	0.5
149.04593	0.9
151.00328	1.7
151.03981	0.5
153.05553	0.8
155.10762	0.6
161.02435	100.0
162.02757	3.9
168.35216	0.4
178.99887	0.8
179.03485	9.0
191.05592	1.9
203.03629	0.5
227.03464	0.8
243.03065	1.1
255.02966	4.7
271.02466	7.2
272.02765	0.8
300.02728	15.3
301.03442	4.1
311.91635	0.5
315.10995	1.1
399.12766	0.4
429.13968	0.7
447.15024	6.8
448.15430	0.6
609.18311	67.1
610.18616	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	609.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.5
60.99303	16.4
61.98828	0.7
69.15857	2.1
69.16280	2.4
69.93555	0.5
71.01359	0.5
88.98799	100.0
93.66287	0.4
101.06116	0.5
105.05682	0.5
135.87778	0.5
212.29736	0.5
253.30659	0.5
255.02916	1.1
271.02429	2.2
300.02780	3.3
300.59637	0.5
301.03455	1.6
340.40356	0.5
346.87961	0.5
405.39719	0.5
472.64160	0.5
505.33725	1.1
609.14294	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68821	0.3
57.03433	0.7
59.01375	13.1
61.98814	1.3
70.30770	0.3
70.48055	0.7
71.01384	4.5
72.99307	1.9
73.02947	2.2
75.00867	100.0
76.01224	0.4
83.01372	0.6
85.02956	2.1
87.00854	0.5
89.02458	0.9
93.03425	0.4
94.91235	0.3
95.01365	0.5
99.00881	0.8
101.02425	2.2
107.01398	0.7
109.02957	0.4
110.14338	0.4
113.02442	2.4
119.05031	1.8
125.02445	0.4
129.82820	0.4
131.17581	0.4
133.02936	0.6
135.04507	0.7
151.00352	2.3
161.02441	2.6
161.04561	0.6
163.04008	3.0
178.99841	1.1
179.03593	0.5
183.54790	0.3
227.03416	0.7
243.02951	1.8
253.04968	0.4
255.02980	5.0
271.02441	10.1
272.02948	1.0
300.02713	17.9
301.03476	7.3
315.25363	0.4
327.12289	0.4
357.13434	0.4
361.29565	2.6
433.11493	0.6
475.33212	0.4
505.33777	20.3
506.34180	1.5
523.34760	5.3
524.35309	0.4
565.35620	2.0
573.19543	1.4
609.14545	22.0
610.14825	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	609.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.3
59.01379	7.6
61.98820	0.7
62.56173	0.2
70.60455	0.7
71.01383	2.9
72.99296	2.0
73.02945	1.1
75.00870	100.0
76.01200	0.6
79.88143	0.3
81.80516	0.3
83.01390	0.3
85.02962	1.2
85.03434	0.2
89.02438	2.0
92.03838	0.2
95.01360	0.3
96.01716	0.2
99.00851	0.4
101.02434	1.7
101.21928	0.2
107.01415	0.4
108.02163	0.4
109.02971	0.2
113.02467	1.3
119.03485	0.8
119.04957	0.3
121.03006	0.2
143.03462	0.4
149.04527	0.2
151.00394	1.6
161.02431	0.9
161.04698	0.3
178.99835	0.9
179.05595	0.7
211.13383	0.5
227.03522	0.4
243.02914	1.7
254.02129	0.3
255.02940	3.8
271.02448	9.1
272.02893	1.0
299.01929	0.4
300.02704	14.5
301.03479	5.7
361.29529	0.9
387.14215	0.3
505.33765	7.4
506.34061	0.6
523.34937	1.8
565.35754	0.9
609.14551	17.6
609.26776	1.9
610.15063	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	609.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01141	3.0
59.01474	14.6
59.74725	0.4
61.98615	0.4
61.98898	0.8
69.03551	0.5
69.36050	2.8
71.01093	0.9
71.01497	1.6
85.03061	1.1
89.02532	0.9
93.03551	0.7
101.02551	1.0
108.02274	0.9
109.03058	0.9
113.02578	1.1
121.02987	3.1
122.03864	0.4
123.00996	1.1
123.04662	0.6
133.03133	1.5
134.03842	0.4
136.00702	0.7
136.01665	18.8
137.02533	2.3
149.02580	0.5
149.06297	0.5
151.00366	5.2
151.02904	1.2
151.04004	32.2
152.01152	0.4
152.04659	1.5
160.05417	0.9
161.02477	3.6
161.04707	1.9
162.02966	0.8
163.03052	0.5
163.04253	0.5
165.93108	0.5
166.02713	14.6
167.03561	1.0
175.04100	0.8
175.07770	0.5
177.02034	0.7
177.05692	0.6
178.99983	0.6
179.03618	0.6
181.05077	19.2
182.05470	0.7
188.04848	0.5
191.05736	0.4
205.05095	0.6
205.08786	0.4
227.03447	0.5
243.03096	1.4
255.02950	3.8
260.38040	0.5
271.02454	8.2
272.03021	0.9
296.07187	0.5
297.07739	0.9
300.02734	13.9
300.06085	0.7
301.03485	6.4
311.09286	1.1
312.10022	1.5
326.11652	1.9
327.12326	2.7
329.10458	0.9
341.14233	0.5
357.09683	9.9
358.10471	0.4
372.12067	10.3
373.12372	0.8
387.14468	100.0
388.14767	7.9
478.74277	0.5
505.33536	1.6
533.19940	0.5
545.44226	0.5
609.14142	14.7
610.14752	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	609.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41133	1.8
58.00600	3.8
59.01376	100.0
61.98819	9.3
69.03447	2.9
69.64458	12.2
71.01374	67.5
72.99303	7.1
73.02919	2.6
84.67097	1.8
85.02946	13.0
87.00874	6.3
89.02439	85.0
91.87377	1.8
95.01371	4.9
96.96000	3.9
99.00884	2.6
101.02436	33.2
108.02167	4.6
111.00892	3.3
113.02444	29.5
119.03490	37.0
123.04497	2.9
125.06052	2.8
131.03476	3.6
133.01421	2.5
133.02995	4.8
135.04500	4.3
139.04117	2.0
141.01942	5.2
143.03517	10.1
149.04475	3.2
151.04028	2.3
153.05634	3.4
159.02995	4.9
161.02428	11.1
161.04544	12.7
161.05704	2.0
165.05606	2.7
179.05589	56.4
193.38406	1.9
255.02910	2.4
300.02682	5.8
301.03519	2.0
304.73947	2.0
454.08127	3.0
529.15802	3.1
549.25513	31.8
550.25745	4.2
609.13605	3.7
609.21515	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	609.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58513	0.5
52.92065	0.6
55.01865	0.7
57.03428	0.7
58.00602	1.6
58.67630	0.5
58.88662	0.6
59.01377	100.0
60.01701	0.6
61.98823	0.9
67.26099	0.6
69.18254	5.0
71.01378	34.4
72.99312	1.9
73.02946	2.4
78.37701	0.6
83.01389	1.8
85.02955	7.0
87.00882	2.3
89.02440	35.1
95.01390	2.3
99.00871	1.0
101.02441	19.7
113.02447	15.1
119.03497	16.4
122.02544	0.6
125.02459	0.9
131.03514	1.8
139.83963	0.6
141.01851	0.6
143.03494	3.9
149.04622	1.1
151.00444	1.0
156.62875	0.5
159.03006	0.6
161.02464	1.4
161.04538	8.1
178.99922	0.8
179.05602	15.1
195.14336	0.5
244.81631	0.6
263.54294	0.7
271.02551	0.9
300.02716	1.1
369.19339	0.7
387.20370	2.5
454.08109	1.1
454.58139	3.6
455.08499	0.7
529.15704	1.4
549.25494	61.6
550.25677	6.8
608.64337	2.5
609.14606	1.8
609.64026	0.7
609.81122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
57.03431	3.4
59.01377	64.7
61.98824	7.8
69.03434	1.2
70.25890	0.8
71.01016	1.4
71.01379	21.0
71.52435	0.8
72.99300	1.1
73.02943	4.9
80.79557	0.8
83.01376	3.2
85.02943	14.6
86.00110	1.0
87.00856	1.7
88.98790	1.5
89.02435	5.0
90.05796	0.8
95.01379	3.7
96.96009	6.3
97.02943	0.8
99.00866	2.7
101.01878	1.0
101.02445	9.7
111.00873	1.2
112.01708	1.0
113.02444	14.1
119.03467	1.9
119.04953	0.9
123.08189	1.1
124.01720	0.9
124.44823	0.9
125.02455	1.4
133.02948	1.1
135.04544	0.9
140.99748	0.8
143.03525	1.9
150.03275	0.8
151.00374	3.8
159.03058	1.0
161.02396	3.3
161.04576	1.8
162.01108	0.6
164.96738	0.9
171.13905	0.8
178.99834	1.9
179.03479	0.9
193.05028	1.0
197.86829	0.8
201.15056	0.9
226.02769	1.0
227.03467	1.3
229.18071	1.9
243.02956	3.2
255.02954	6.3
271.02469	14.6
272.02817	2.9
299.99420	1.4
300.02737	26.8
301.03470	9.5
323.16830	0.9
359.28021	1.6
361.29468	7.7
375.20120	1.0
403.30997	1.0
505.33798	100.0
506.34137	9.9
523.34845	20.1
524.35077	2.6
565.35919	11.2
566.36389	1.1
573.19385	1.9
609.14471	30.3
610.15240	4.8
610.23907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
57.03431	2.5
59.01377	81.2
61.98828	5.7
65.85201	0.9
69.03442	0.9
69.14928	0.9
69.19955	2.4
69.20361	5.5
71.01376	25.1
72.99300	2.6
73.02938	8.0
75.00867	81.1
83.01389	4.2
85.02945	12.4
87.00884	2.8
89.02454	8.2
95.01375	3.0
97.02925	1.4
99.00855	2.1
101.02443	13.4
111.00862	2.1
113.02441	14.1
115.00391	1.7
118.28367	0.8
119.03518	3.1
119.05022	20.8
124.01601	0.9
125.02438	1.9
135.04547	1.4
143.03477	2.6
151.00368	2.9
161.02391	2.4
161.04539	4.2
163.04005	21.0
164.04312	1.1
178.99954	1.2
179.05638	2.4
201.14915	1.3
211.13341	1.1
243.02875	1.7
255.02846	4.9
271.02432	14.0
272.03058	1.4
300.02744	27.1
301.03461	11.0
315.25281	1.3
343.28638	1.6
355.43839	1.0
359.27960	1.7
361.29501	11.0
373.29443	0.9
493.20779	5.0
505.33777	100.0
506.34082	9.9
522.04181	1.0
523.34827	25.7
524.35406	2.3
565.35760	10.2
566.36469	1.8
573.19617	2.1
609.14514	26.9
609.27515	2.6
610.14996	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	609.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
57.03451	1.1
59.01376	100.0
59.67293	0.6
61.98834	2.9
69.44920	3.7
69.45338	1.5
71.01379	11.5
73.02958	3.3
83.01391	2.5
85.02956	7.6
87.00892	1.5
89.02456	2.3
95.01402	1.9
97.02949	1.2
99.00900	1.4
101.02440	6.3
113.02464	7.7
119.04968	0.7
125.02467	0.8
135.04529	0.8
140.39560	0.6
143.03484	1.6
151.00360	1.1
161.02487	1.5
161.04591	2.5
178.99823	0.7
243.03001	1.0
249.73575	0.6
255.02951	3.5
271.02472	7.8
299.25916	2.2
300.02710	13.1
300.06009	1.0
301.03415	5.3
345.30084	3.7
431.23016	0.7
451.87283	0.7
489.34314	65.1
490.34583	7.5
507.35294	22.0
508.36069	2.8
549.36359	17.2
550.37244	2.1
603.39795	0.9
609.14612	13.3
609.24097	1.2
610.14758	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	609.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.5
59.01377	100.0
60.01693	0.9
61.98829	4.3
71.01384	11.4
73.02930	4.0
73.40323	0.7
74.71349	0.7
75.06268	0.7
76.29073	0.8
79.26108	0.8
81.35307	0.7
82.18643	0.7
83.01398	4.3
85.02943	6.5
87.00926	1.1
87.83495	0.7
95.01399	1.9
99.00880	1.5
101.02447	6.2
112.01632	0.8
113.02446	4.8
118.34709	0.6
119.82390	0.7
123.22144	0.8
125.02417	1.5
133.02966	2.3
135.04523	1.8
151.00377	0.7
161.02452	6.7
161.04620	1.1
168.34340	0.9
171.13896	0.9
173.24725	0.8
177.05524	0.9
178.99957	0.9
179.03554	3.3
221.04558	0.8
243.03049	1.2
251.05557	1.0
255.03075	2.6
271.02429	5.1
281.06754	1.3
297.47198	0.7
299.26059	2.9
300.02701	11.3
301.03363	3.9
335.81662	0.8
341.08835	2.8
345.30103	5.8
476.13516	3.1
489.34317	81.4
490.34589	9.9
507.35309	26.6
508.35739	3.6
549.36401	14.8
550.36798	2.2
573.20050	3.2
609.14868	9.5
609.26361	4.3
610.15045	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71846	1.3
57.03435	1.7
59.01376	100.0
61.98827	58.6
65.03954	3.8
65.46371	1.4
68.40710	1.4
69.03455	2.1
70.97038	1.3
71.01376	19.8
73.02953	5.3
79.95731	5.7
80.96510	23.8
83.01381	5.3
85.02961	11.7
87.00870	2.6
88.98815	2.5
89.02436	7.0
93.03440	1.7
94.98091	4.9
95.80606	1.5
96.29719	1.4
98.81017	1.8
99.00880	4.7
101.02452	11.1
107.01396	1.7
107.05029	1.6
112.77157	1.7
113.02456	6.5
117.03395	1.9
119.03489	2.3
121.06602	3.3
125.02405	3.3
133.02957	12.8
134.03731	3.8
135.04526	30.8
137.02412	2.4
139.03011	1.6
139.04002	10.0
145.03014	2.4
151.00342	6.8
152.98611	3.2
161.02437	36.3
161.04536	3.1
164.98672	3.3
165.05534	2.4
177.05539	2.3
178.99857	4.0
179.03502	24.9
180.03867	2.4
183.06602	4.7
191.05484	1.8
203.03441	3.4
209.04556	4.5
221.04486	1.5
225.00708	7.7
237.14870	2.3
243.02972	5.6
255.02966	15.0
270.99734	2.8
271.02441	27.9
272.02725	3.4
298.19000	2.0
299.20126	59.1
299.25482	2.9
300.02731	55.3
301.03397	24.5
302.03775	1.9
341.08722	5.9
345.29935	4.8
476.13150	9.3
477.13687	1.7
489.34299	60.6
490.34583	5.6
505.33618	2.3
507.35193	22.8
508.35770	3.0
549.36334	8.5
565.26184	2.1
573.19940	12.3
609.14514	71.6
609.25751	62.8
610.14935	13.6
610.26001	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	610.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93834	0.2
59.01373	2.9
61.98829	69.8
63.67679	0.2
70.66057	0.5
71.01385	0.8
73.02950	0.5
81.43237	0.2
85.02942	0.4
88.98826	0.5
89.02434	0.3
101.02486	0.4
113.02403	0.5
126.27826	0.2
129.91158	0.2
133.02979	0.5
134.03703	0.3
135.04498	0.6
145.02968	0.6
146.11420	0.2
151.00362	0.3
161.02417	2.0
162.02791	0.5
165.62598	0.2
179.03491	0.8
187.11272	0.6
203.03653	0.3
243.02867	0.3
244.03525	0.2
256.03348	0.4
266.16812	0.4
267.17581	0.8
271.02512	0.7
272.02786	0.8
281.15854	0.4
281.19101	1.4
281.46735	0.2
299.20145	100.0
300.02780	1.3
300.20471	9.1
300.23862	0.5
301.03241	1.6
302.03806	0.6
341.09140	0.4
342.09027	0.2
375.60287	0.2
414.44806	0.2
451.67743	0.3
476.13248	0.4
477.13617	0.6
490.34668	0.7
503.26410	0.3
541.78748	0.2
573.20038	0.4
574.20007	0.6
610.15033	3.6
610.26031	0.7
611.15259	0.4
611.26672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	0.9
59.01379	10.4
59.50378	0.5
59.91847	0.4
61.98828	100.0
71.01395	3.6
71.52583	0.7
73.02953	2.3
76.31332	0.5
77.68166	0.5
85.02949	1.2
87.39311	0.5
89.02467	2.2
97.90318	0.5
99.59908	0.5
101.02445	3.1
113.02464	1.8
116.92953	0.6
119.03473	0.8
129.44572	0.5
161.02437	1.3
161.04564	1.0
168.54659	0.5
212.33621	0.6
215.49248	0.5
243.02997	0.7
255.02953	1.1
256.03354	1.1
271.02591	1.7
272.02942	2.0
281.19220	2.1
295.10553	0.5
299.20126	7.7
300.02716	4.1
301.03183	4.2
302.03845	1.4
310.44266	0.5
443.24347	7.5
443.29782	0.9
444.25180	0.9
461.25516	2.7
503.26471	11.6
504.26941	0.8
564.82489	0.6
610.14960	8.8
610.25012	1.2
611.15894	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
57.52429	0.7
58.00589	2.2
59.01374	35.3
61.98833	3.8
69.61970	3.2
69.62397	1.0
71.01376	22.8
72.99313	1.3
73.02946	1.7
80.33569	0.7
83.01378	1.5
85.02949	6.0
87.00881	0.9
89.02438	19.8
93.03454	1.9
95.01366	2.1
95.04998	1.0
96.95985	0.7
101.02445	13.2
106.04240	11.6
107.05030	8.5
108.02158	14.9
109.64550	0.6
113.02451	11.2
119.03507	7.4
119.05017	3.3
121.02949	1.0
123.04511	7.8
131.03426	0.8
131.05003	2.1
132.02168	3.0
133.02951	31.7
134.03662	2.6
135.04520	15.5
143.03477	1.6
145.02898	0.9
147.04506	5.4
151.03998	17.4
153.05576	3.8
161.04568	2.3
161.06067	4.5
165.05556	29.5
175.03986	73.2
176.04332	2.9
179.05591	2.7
191.13956	0.7
193.05035	49.3
194.05371	2.4
195.76511	0.7
205.05020	7.8
223.06116	12.3
235.06149	4.3
239.88733	0.8
253.07153	25.7
254.07530	1.1
297.09732	2.0
313.09210	3.2
315.10809	23.7
316.11176	1.2
355.10315	2.6
449.14487	100.0
450.14758	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	611.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77952	0.7
52.09341	0.8
52.86023	0.8
53.97438	0.8
55.01852	0.8
57.03429	1.5
58.00594	2.6
58.25613	0.7
59.01376	60.9
61.45470	0.7
61.98823	2.1
69.50137	1.5
69.50555	4.0
71.01376	33.5
72.01728	1.3
72.99312	3.1
73.02971	1.8
75.00879	1.6
83.01389	1.8
85.02936	9.1
87.00893	1.9
88.98798	2.1
89.02441	29.0
95.01405	3.2
96.96033	0.9
98.19854	1.0
99.04510	26.3
101.02441	14.7
111.04519	1.9
113.02442	9.7
119.03509	7.0
121.06590	1.0
123.78516	0.9
125.57221	0.7
131.03470	1.5
133.02966	8.0
134.03351	2.6
135.03574	1.3
135.04558	3.4
136.04915	1.4
137.05130	0.8
151.00293	1.0
151.04015	1.8
161.02425	21.6
162.02754	8.5
163.02890	4.6
179.03514	2.4
179.05562	1.8
180.04041	0.9
189.12799	7.1
195.06721	1.3
207.13873	46.7
208.14305	2.9
209.11755	1.3
223.06078	1.6
225.07732	1.2
233.11882	1.8
243.02980	1.0
244.03494	0.9
251.12862	71.7
252.13118	4.9
255.02954	1.7
256.03329	1.4
257.03748	1.2
269.14056	1.7
271.02579	2.9
272.02859	2.9
273.03143	2.7
300.02603	5.1
301.03101	6.3
302.03342	6.0
303.04260	1.3
431.19168	81.4
432.19537	5.5
449.15231	1.5
449.21072	1.2
611.17352	14.2
611.25922	100.0
612.17413	1.1
612.26025	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	611.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.9
58.00583	1.5
58.06897	0.6
59.01377	53.2
60.95216	0.6
60.99296	1.0
61.98830	1.5
64.10777	0.6
67.97456	0.8
69.50636	4.6
71.01381	28.6
72.99284	2.6
72.99657	0.7
73.02934	1.9
83.01357	2.1
84.26449	0.8
85.02948	7.7
87.00847	1.9
88.98779	2.0
89.02440	24.6
91.67353	0.7
95.01382	2.2
96.96049	1.0
98.95573	0.8
99.04512	22.8
101.02427	12.6
101.14851	0.8
107.01402	0.8
111.00932	0.7
111.04530	1.8
113.01727	1.0
113.02446	10.0
119.03507	8.0
121.06560	1.5
131.03461	0.8
133.02959	5.5
134.03313	2.1
135.03535	1.1
135.04430	3.9
149.04590	1.0
151.00331	3.1
159.40309	0.7
161.02432	16.1
162.02759	6.3
163.02930	2.7
163.14827	0.8
178.99860	1.2
179.03511	1.3
179.05560	1.4
189.12840	7.3
198.41241	0.7
207.13878	40.6
208.14215	2.1
212.64612	0.7
227.03438	1.0
233.11858	1.3
243.02966	1.4
244.03323	0.8
245.03499	1.0
251.12859	67.6
252.13278	3.6
255.02980	4.9
256.03351	4.3
257.03568	3.3
269.13974	1.6
271.02444	10.0
272.02847	8.1
273.02979	6.6
277.17307	0.7
300.02682	12.8
301.03125	14.2
302.03339	16.9
303.03854	3.0
341.10468	0.8
387.20288	1.4
431.19168	80.7
432.19540	7.0
449.14664	1.3
449.20270	1.3
504.91010	0.7
594.40570	0.8
611.15503	40.3
611.25476	100.0
612.16107	2.4
612.25818	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	612.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
61.98826	100.0
62.98539	0.2
63.48442	0.2
65.03941	0.8
65.38902	0.2
67.22257	0.2
68.99813	0.4
69.03435	0.2
69.90712	0.6
69.91097	0.4
71.01383	1.5
79.35751	0.1
80.35424	0.1
81.01408	0.2
85.02949	0.4
87.00898	0.3
87.70346	0.2
89.02448	0.8
93.03435	0.3
96.95971	0.2
98.20622	0.2
99.00867	0.3
101.02439	0.8
108.02200	0.2
111.00895	0.5
113.02464	0.6
119.03519	0.5
119.05038	0.4
121.06576	0.8
129.01984	0.5
133.02907	0.2
135.04565	0.2
137.06200	0.2
139.03990	1.3
147.03023	0.5
147.04497	0.5
151.03973	0.3
151.22940	0.2
161.04680	0.2
165.05566	2.2
175.02455	0.2
177.04079	1.0
177.05424	0.2
179.05710	0.2
181.05009	0.3
183.06648	0.7
209.04585	0.8
247.04594	1.4
327.10965	0.4
345.12042	0.3
371.09982	0.9
373.12894	0.3
387.09439	0.6
389.10999	0.7
427.28195	0.2
494.13275	0.2
501.12341	0.2
519.13507	1.5
520.14154	0.2
549.14569	11.6
550.15021	1.3
612.22119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.8
61.98825	100.0
67.79080	0.2
69.18573	1.6
71.01381	0.5
77.07841	0.2
77.73381	0.2
89.02450	0.3
95.03799	0.2
101.02473	0.3
111.57392	0.2
119.03544	0.2
122.26615	0.2
123.04472	0.2
165.05583	0.3
257.10208	0.2
326.51993	0.2
343.55908	0.2
443.08542	0.2
549.14990	0.5
552.26648	0.2
612.22626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66906	0.2
57.15685	0.2
59.01382	0.6
61.98826	100.0
69.28019	0.2
71.01375	0.2
71.03819	0.3
89.02454	0.4
101.02453	0.3
113.02419	0.2
136.68317	0.2
224.35013	0.2
239.83435	0.2
311.42032	0.2
312.19858	0.2
341.58502	0.2
345.97998	0.2
525.03082	0.2
552.26892	0.4
613.23035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92070	0.6
59.01377	14.6
61.98828	100.0
70.42172	2.0
71.01389	1.9
85.02948	1.2
101.02458	2.2
113.02439	1.1
114.25323	0.7
147.36014	0.6
161.02397	0.8
301.21652	5.2
443.60999	0.7
445.25912	31.3
446.26251	3.7
463.27280	3.3
464.27371	0.9
612.28552	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43045	0.3
59.01376	9.6
61.98827	100.0
69.03432	0.3
70.15671	1.1
71.01400	1.7
73.02948	0.5
83.01389	0.4
85.02951	1.8
89.02453	0.4
95.01399	0.5
101.02437	1.4
101.35267	0.3
104.39245	0.3
113.02476	1.4
197.11807	2.4
203.28468	0.3
209.11761	0.4
301.21692	10.7
302.22113	0.7
445.25897	19.2
446.26181	2.2
463.26959	4.7
464.27094	0.6
505.28046	7.4
506.28745	0.8
511.65518	0.3
590.54388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.4
61.98827	100.0
69.31949	3.2
71.01388	2.0
73.02950	0.4
73.32289	0.3
83.65583	0.4
85.02966	0.9
96.95988	0.4
98.20696	0.7
101.02440	0.9
113.02448	1.4
136.05211	0.4
146.84370	0.4
161.02531	0.5
230.71591	0.4
265.67838	0.4
274.86472	0.4
283.20804	1.0
301.21680	8.6
302.22156	0.6
445.25925	27.5
446.26321	2.3
463.26974	2.9
491.16879	0.4
505.28214	1.6
609.49866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01956	1.6
55.01874	3.5
57.03443	3.4
58.00571	4.6
59.01377	100.0
61.98534	2.6
61.98828	32.7
68.99809	3.1
69.03451	2.9
69.86568	8.5
71.01379	74.6
72.99298	6.9
73.02944	32.2
75.00866	2.5
77.78887	1.6
83.01385	11.3
83.02483	1.6
85.02937	17.8
87.00875	11.9
89.02439	83.2
95.01373	8.8
96.95990	2.2
97.02937	3.8
97.27040	1.6
99.00878	29.4
101.02440	57.4
107.05015	7.1
108.02158	29.7
109.02943	5.0
111.00873	32.9
113.02441	52.9
113.03127	1.0
113.03247	1.8
116.92847	3.8
119.02676	3.3
119.03498	44.4
119.04910	3.7
120.99612	7.4
123.04489	5.3
125.02431	1.9
129.01917	15.2
131.03467	14.8
133.01477	1.8
134.03780	2.4
135.04520	46.5
137.02507	2.0
137.06088	14.4
139.03990	2.4
141.01897	9.4
143.03450	10.7
147.04492	5.1
149.04523	2.3
151.03954	1.8
153.05539	7.4
159.02980	38.7
161.02426	5.1
161.04510	7.3
163.03889	1.8
164.95473	1.8
165.05557	7.0
179.05608	23.6
183.06541	2.9
189.05556	5.3
194.80298	2.1
195.06532	2.2
207.06587	15.8
219.06564	8.2
237.07715	14.0
315.10834	90.6
316.11124	4.9
333.11844	10.2
427.23880	2.3
433.14957	3.6
462.28931	2.0
475.14246	5.6
491.15216	2.4
592.19623	1.8
611.90143	2.2
613.21344	5.2
614.23846	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	614.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64774	0.2
59.01377	0.6
61.98828	100.0
65.03961	0.7
69.03463	0.4
71.01395	0.9
71.49839	0.2
71.51109	0.3
75.00874	0.4
85.02962	0.4
87.00871	0.3
89.02425	0.3
101.02439	0.3
101.28207	0.2
108.03237	0.2
111.00899	0.3
113.02459	0.5
119.03446	0.2
119.05035	0.2
121.06604	0.8
139.04030	1.9
146.51591	0.2
147.04486	0.2
149.06050	0.2
165.05574	1.4
183.06580	1.5
191.64218	0.3
209.04565	0.5
293.02121	0.2
299.65356	0.2
333.38568	0.2
337.06918	0.3
345.11963	0.9
370.40613	0.2
371.10013	0.7
373.85590	0.2
389.10876	11.8
390.11545	0.7
431.11801	0.4
461.13467	0.4
491.14267	0.5
551.16205	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
69.78999	6.2
72.50240	1.1
90.88299	1.0
98.20619	1.3
158.60916	1.0
179.10832	1.2
197.11749	3.5
249.64087	1.2
315.14447	5.4
551.35870	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	615.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	0.6
58.88344	0.6
59.01373	19.4
61.98823	8.1
68.99811	0.6
69.26257	1.9
69.26685	3.8
71.01378	10.7
72.99316	1.3
73.02558	0.8
73.02939	12.0
73.09732	0.6
75.07178	0.5
83.01384	6.6
85.02933	1.6
85.31140	0.5
87.00867	4.2
89.02433	1.9
96.09698	0.6
96.95991	1.8
99.00875	4.6
100.01657	4.1
101.02446	10.9
111.00878	10.3
113.02457	3.5
113.99583	43.2
115.00374	18.5
119.03509	1.4
128.01152	4.1
135.04555	0.8
139.00351	4.1
143.03459	0.9
149.04564	1.3
156.00633	51.6
157.01421	4.6
161.02400	2.2
161.04561	2.7
167.00217	0.7
174.01674	100.0
175.02420	7.2
179.03519	0.7
193.04982	0.8
231.10229	0.6
287.16489	4.7
289.14554	0.7
429.17978	0.8
446.54517	0.6
471.22568	1.4
509.23929	2.3
511.21771	13.3
512.22430	1.2
535.22076	0.9
553.23260	2.0
571.24390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3664
Annotation	Isogarcinol 13-O-methyl ether
Peak:m/z	Relative Intensity
53.47740	6.4
57.28579	7.8
59.01381	7.0
61.98822	14.0
71.52203	10.1
117.03457	21.2
119.05001	9.4
145.02942	74.3
253.35571	8.9
299.73233	6.5
395.21173	7.1
406.96738	8.0
513.13751	17.2
536.88708	7.8
597.40662	9.2
615.20667	71.7
615.36572	100.0
616.20386	14.1
616.37030	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	616.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98826	100.0
62.98531	0.2
65.03913	0.2
67.34132	0.2
71.01371	0.3
71.44852	0.3
77.23120	0.2
85.02958	0.2
93.14118	0.2
101.02460	0.2
113.02420	0.2
133.02919	0.3
135.04549	0.3
145.02884	0.2
161.02472	0.8
170.99240	0.2
171.10326	0.4
179.03505	0.2
206.44292	0.2
209.11729	0.2
213.57317	0.2
241.01912	0.2
269.13928	0.4
297.85416	0.2
363.34280	0.2
416.66196	0.2
590.05402	0.2
616.30865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.6
61.98826	100.0
69.00959	0.8
69.84388	0.8
69.91066	0.8
70.51926	1.8
70.52261	1.3
78.95895	1.0
91.85959	0.7
100.02506	0.7
151.42151	0.8
163.96091	0.9
189.82388	0.8
209.11745	1.5
255.23235	6.4
312.49265	0.8
353.21646	0.9
631.07709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63158	0.4
61.98826	100.0
65.35167	0.4
67.82922	0.5
67.98268	0.4
116.97449	0.4
179.10834	0.8
191.51404	0.6
197.11845	2.2
197.13535	0.4
198.60405	0.5
229.50003	0.5
255.23239	2.2
256.23712	0.5
302.58533	0.5
348.67554	0.4
547.63300	0.5
553.37451	6.5
554.37793	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98838	1.6
69.17265	5.9
69.17668	0.9
70.47281	0.7
90.97105	1.1
115.02516	6.8
117.00436	5.3
118.43951	0.8
132.98201	4.7
159.01477	55.8
160.01665	3.3
174.99225	34.5
175.99553	0.9
192.95888	2.0
201.02528	11.7
202.02789	0.8
217.00269	79.8
218.00696	0.7
232.98274	1.6
259.01709	1.4
274.99277	5.1
290.97202	3.3
293.14606	0.8
298.99146	1.1
301.02618	26.7
302.02872	4.4
304.17920	0.8
317.00357	58.7
318.00696	5.0
332.98141	21.2
333.02103	1.2
333.98880	1.1
348.96371	1.0
359.01514	4.4
373.01550	1.2
374.99200	35.1
375.99722	1.2
390.97308	1.2
417.00345	1.5
420.57980	0.8
459.01495	5.4
460.02182	0.9
472.97913	0.8
474.99271	33.6
475.99631	3.0
514.97522	2.1
555.00513	1.6
556.98297	41.7
557.98309	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	617.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.6
61.98824	2.6
65.03962	100.0
69.03451	3.3
70.98911	2.9
71.01373	5.1
81.26700	2.1
81.64198	2.3
85.02943	2.8
87.00901	2.3
90.01527	2.2
93.03435	5.0
95.05058	3.3
101.02420	2.9
115.07233	2.2
119.05004	6.8
121.06583	33.5
139.03996	51.9
165.05537	28.3
183.06618	63.1
184.07053	3.8
193.68782	2.2
227.05627	13.5
338.83075	2.3
345.11957	10.6
376.23892	2.5
389.10855	64.1
558.01373	2.4
617.15869	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	617.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
61.98825	7.7
65.03959	44.3
66.04295	0.9
69.03445	1.1
71.01375	2.4
71.07198	0.5
76.29693	0.6
76.48858	0.5
78.91883	0.8
78.95904	0.7
89.02443	1.2
93.03455	4.3
95.05009	3.3
96.96007	11.4
96.96951	0.7
101.02440	2.6
111.48418	0.5
113.02445	0.9
119.05016	3.6
121.06586	19.5
122.06857	0.5
135.04512	0.7
139.04002	63.5
139.07629	1.7
140.04311	1.9
163.03954	0.8
165.05554	20.0
183.06606	100.0
184.06955	3.1
195.06621	1.0
215.09221	36.0
216.09552	1.5
269.10165	0.7
288.68729	0.7
309.11963	0.6
397.76404	0.7
401.14667	1.1
495.17426	0.6
603.81244	0.7
617.25037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13287	0.1
69.98401	0.6
77.73135	0.2
98.20580	0.3
117.03459	26.5
118.03779	0.4
119.05019	6.6
120.05384	0.2
121.02934	1.8
123.04539	0.5
133.02893	0.3
145.02946	92.6
146.03285	2.8
162.03209	0.6
163.03993	1.9
228.11618	0.2
242.17300	0.2
252.88734	0.2
453.33688	1.4
454.34238	0.2
471.34735	0.3
497.32437	1.4
505.27213	0.2
549.13434	0.2
571.37665	0.2
573.38806	0.3
617.38409	100.0
618.38721	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	617.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38547	0.2
66.38114	0.3
98.20684	0.5
117.03463	23.9
118.03782	0.5
119.05020	6.5
121.02969	1.6
123.04480	0.4
123.75224	0.2
134.03777	0.2
145.02950	87.5
146.03305	3.0
162.03212	0.5
162.09790	0.2
163.03979	1.4
168.16316	0.3
453.33621	0.9
497.32614	1.6
608.03455	0.2
617.38409	100.0
618.38733	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	617.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	0.5
71.52064	0.2
110.71139	0.1
116.08937	0.2
117.03461	25.2
118.03760	0.8
119.05022	6.6
121.02962	1.6
123.04512	0.4
133.02930	0.3
145.02946	88.0
146.03281	3.0
162.03218	0.7
163.04007	1.9
453.33807	1.1
497.32623	1.6
573.39264	0.4
617.38416	100.0
618.38782	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	617.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56739	0.2
61.98854	0.2
70.81950	0.6
89.03941	0.2
117.03462	27.9
118.03806	0.7
119.05028	7.0
121.02986	1.6
123.04540	0.5
133.02917	0.3
145.02953	96.2
146.03304	3.2
148.91322	0.2
162.03238	0.8
163.04010	1.7
188.24152	0.2
453.33615	1.2
454.33374	0.3
497.32697	1.7
498.32956	0.4
538.02905	0.2
617.38397	100.0
618.38745	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	617.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
61.98824	0.8
66.61676	0.2
69.12584	0.2
69.67482	1.1
71.01357	0.7
73.02914	0.2
78.95936	0.2
83.01356	0.3
85.02946	0.5
89.02415	0.2
98.19889	0.3
101.02427	0.7
113.02399	0.2
115.92071	0.3
116.92873	0.3
161.02522	0.3
166.12650	0.2
171.10208	0.3
185.28842	0.2
208.70833	0.2
254.35519	0.2
290.14319	0.2
307.26620	0.2
325.27530	0.3
351.25589	0.2
369.26413	2.3
497.31110	0.2
609.58594	0.2
617.40497	100.0
618.40839	13.8
618.51312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4055
Annotation	Lansioside B
Peak:m/z	Relative Intensity
59.01376	2.5
61.98818	0.8
65.78697	0.2
65.89299	0.2
71.01374	1.1
71.06977	0.3
73.02934	0.5
83.01368	0.2
85.02937	0.5
88.98815	0.2
89.02432	0.5
96.96013	0.2
97.02940	0.2
101.02448	0.6
104.08936	0.2
113.02410	0.4
116.92827	0.2
125.02415	0.2
147.05931	0.2
149.04587	0.2
161.02438	0.3
171.10274	0.3
177.74715	0.2
198.30164	0.2
322.75119	0.2
369.26151	0.7
466.50604	0.2
481.27850	0.3
617.40497	100.0
618.40833	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	618.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
61.98827	100.0
65.03966	1.1
69.03455	0.5
71.01379	1.0
71.52775	0.4
73.02952	0.2
78.95907	0.3
79.95741	0.4
85.02953	0.4
89.02438	0.3
96.96008	13.5
96.96980	0.5
97.95940	0.3
98.95606	0.8
99.76941	0.2
101.02428	0.6
113.02438	0.4
120.94125	0.2
121.06612	0.7
135.24867	0.3
139.03996	2.3
161.04546	0.3
161.71713	0.2
165.05615	1.0
181.07944	0.3
183.06589	1.2
183.10263	0.4
209.04535	1.9
301.86829	0.2
345.12054	0.7
389.10883	0.5
511.21872	1.8
555.20844	6.2
556.21588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02576	0.3
57.87158	0.3
60.33628	0.3
61.23967	0.3
61.98826	100.0
63.99256	0.5
69.84737	1.6
80.33089	0.3
89.73798	0.3
92.97494	0.3
137.29457	0.3
154.66759	0.3
326.71625	0.3
400.53897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46404	0.6
57.87137	0.6
61.98825	100.0
62.11518	0.6
70.24110	1.5
78.95907	1.9
137.29527	0.7
145.20959	0.6
152.35706	0.7
152.99567	1.4
163.97252	0.7
201.04077	0.7
207.10246	0.7
225.11400	1.1
235.81815	0.6
253.60873	0.6
255.23308	2.7
377.66034	0.8
555.38873	6.5
556.39441	1.1
619.36841	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
59.01360	3.3
59.67952	1.5
65.87755	1.4
72.07109	1.3
83.01384	89.1
84.01740	1.9
121.02944	18.3
123.00869	3.5
130.17139	1.4
136.04245	1.5
136.05281	29.5
137.06035	1.5
153.14912	1.5
168.04253	11.4
235.09677	3.6
246.11324	1.8
341.33066	1.6
354.40100	1.5
356.12759	8.6
371.14957	100.0
372.15222	13.5
433.35413	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	619.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05499	1.7
57.03430	1.2
58.00579	1.4
59.01376	42.3
61.98813	5.0
65.03961	1.9
65.16038	1.1
71.01378	29.5
71.52337	1.7
72.99301	3.5
73.02953	2.0
75.00876	2.8
85.02927	6.1
85.06585	2.7
87.00873	3.6
89.02444	40.4
95.01369	2.8
96.96004	5.5
99.04485	2.4
101.02439	16.2
108.02184	1.2
109.02898	1.4
111.00909	1.8
113.02431	11.8
113.06080	14.9
119.03498	15.4
119.05001	7.0
127.78503	1.5
131.03424	2.1
131.07133	17.2
133.02943	1.9
135.02977	4.3
135.04501	5.5
137.35699	1.3
139.03992	1.8
143.03458	2.8
145.02948	3.5
149.04568	1.8
153.01859	3.2
161.02460	7.1
161.04567	3.7
163.03992	6.8
179.03535	4.9
179.05588	18.1
183.06561	1.4
191.05626	1.9
193.05054	1.8
198.90425	1.1
247.30995	1.2
264.94855	1.2
272.54590	1.3
293.12408	100.0
293.33041	1.3
294.12781	4.5
321.13327	1.4
325.09204	1.4
361.51443	1.4
389.10730	1.5
456.15720	2.2
457.15924	5.1
619.19141	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	619.2556
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.98828	21.5
70.96404	0.7
84.17053	0.6
86.43503	0.6
111.20428	0.8
389.15210	1.0
401.13766	1.7
415.15594	3.2
416.16412	14.6
429.17020	1.1
430.18085	3.6
431.18570	1.5
444.15683	1.2
448.15283	0.9
457.16583	1.1
458.17215	2.0
459.18225	100.0
460.18600	14.0
472.19153	1.0
473.19763	16.3
474.20605	5.7
485.15970	1.1
487.17804	0.9
499.18118	1.0
501.19247	1.8
503.17075	3.7
511.17557	0.9
517.18756	1.8
518.19550	45.0
519.19843	5.8
532.20923	8.6
533.21881	98.3
534.22192	14.5
587.22736	5.6
588.23291	0.9
619.25555	99.4
620.25916	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	619.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.2
57.03448	2.2
58.00581	1.4
59.01375	100.0
61.98825	41.0
66.40273	1.1
69.03445	1.5
69.66028	7.1
71.01377	51.0
72.99316	2.6
73.02940	13.8
75.00879	2.2
83.01372	8.8
84.39677	1.1
85.02945	22.5
87.00866	5.9
89.02438	37.0
95.01381	4.7
96.45422	1.3
96.95998	27.5
97.02947	4.1
99.00859	6.2
101.02436	42.8
113.02440	32.0
119.03495	14.2
125.02444	3.1
131.03476	3.0
133.02998	2.6
135.04472	1.4
143.03496	4.6
149.02394	1.4
159.02940	2.9
161.02380	5.0
161.04518	17.8
179.03496	2.9
179.05574	8.9
188.32742	1.2
203.05649	3.0
221.06543	1.9
369.10327	1.3
371.20691	6.0
397.22180	4.2
413.21707	8.2
426.79666	1.3
474.19522	1.4
507.79303	1.5
515.24921	1.7
533.25989	63.5
534.26135	8.9
556.20813	1.5
559.27600	14.4
560.28107	2.1
575.27087	37.5
576.27118	6.1
577.28583	19.1
619.29797	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	619.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.3
55.68912	1.4
57.03442	3.0
58.00599	2.0
59.01376	100.0
61.98829	38.1
62.34934	1.4
71.01379	53.2
72.99310	3.2
73.02944	15.4
75.00855	2.7
83.01382	8.0
85.02950	20.8
87.00877	4.6
89.02438	37.9
90.98418	1.4
95.01391	4.7
96.96001	24.8
97.02938	2.8
99.00889	4.6
101.02438	42.3
113.02444	31.5
113.03197	1.1
114.02749	1.6
119.03499	12.9
121.67803	1.5
125.02462	3.0
131.03433	3.5
135.04460	2.0
143.03484	5.1
149.02422	1.8
159.02975	2.9
161.02406	6.1
161.04543	16.4
179.03419	2.1
179.05638	7.6
221.06575	2.5
371.20407	7.0
397.22232	5.8
407.48184	1.7
413.21811	7.2
432.83875	1.5
445.75342	1.5
515.24823	2.2
533.25964	58.5
534.26166	4.9
559.27350	12.1
575.26996	35.1
576.27295	4.1
577.28571	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	620.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
59.01665	0.2
61.98825	100.0
65.03971	0.9
69.03452	0.4
71.01392	0.6
73.02924	0.2
80.16277	0.2
84.46784	0.2
85.02957	0.2
86.32759	0.2
89.02454	0.3
93.03444	0.2
101.02464	0.4
106.30501	0.2
113.02433	0.2
121.06590	0.9
121.13795	0.2
123.04507	0.4
133.02959	1.6
135.04532	1.7
139.04012	2.3
150.03252	0.2
151.04012	0.5
156.50453	0.2
161.02426	4.8
165.05551	1.2
179.03526	1.6
180.46783	0.2
183.06589	1.1
185.11784	0.9
203.03529	0.7
209.04549	1.5
255.32176	0.2
257.56137	0.2
345.12088	0.5
487.14490	0.4
513.23346	1.7
557.22302	5.7
558.23041	0.6
621.18213	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	620.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58250	0.3
57.03432	0.3
59.01377	5.3
61.98824	100.0
69.37243	0.4
69.37643	1.5
71.01374	4.2
72.99307	0.7
73.02937	3.2
77.34067	0.3
83.01396	0.5
85.02961	1.6
87.00865	1.8
87.04511	1.0
89.02428	2.1
96.61398	0.2
96.95984	0.7
101.02437	2.5
103.04012	1.3
108.02190	0.4
109.02945	0.9
113.02440	1.1
115.01907	0.3
115.04012	1.4
119.03495	0.7
119.05013	0.5
123.04527	2.1
125.02447	0.5
127.03936	0.3
131.03479	1.7
132.02179	0.5
133.01924	0.4
133.02945	8.8
134.03737	0.7
135.04520	9.7
137.02402	0.4
139.03978	0.3
143.03494	2.4
145.05042	0.6
147.04494	0.4
149.02432	0.6
149.06065	0.6
150.03204	1.5
151.03993	2.8
159.04443	0.5
161.02428	23.6
163.04036	0.3
163.06052	0.5
172.05254	0.4
173.06047	0.7
174.06825	0.3
175.04044	0.8
177.05536	1.1
179.03482	7.8
187.03984	0.5
187.07628	4.1
193.05034	0.2
201.05576	0.8
202.06335	4.3
203.03487	3.2
203.10788	0.3
205.07135	2.1
213.09177	0.3
216.07878	0.5
221.04565	0.9
230.94205	0.2
231.10249	4.2
232.10710	0.4
233.04532	0.6
249.11153	0.6
295.06140	0.7
313.06665	0.3
427.12430	0.9
439.84183	0.3
459.14838	0.9
469.13440	0.6
487.14517	2.3
528.18817	0.3
557.22308	44.2
558.22632	5.5
621.18103	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	620.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42154	0.2
61.98826	100.0
64.27628	0.2
70.73618	0.5
72.07330	0.2
97.32213	0.2
116.85934	0.2
146.63007	0.2
157.86452	0.2
171.60486	0.2
186.71928	0.2
459.88446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.48534	1.1
70.58124	3.5
78.95902	2.4
152.99628	1.7
211.84386	1.3
236.48141	1.2
255.23370	1.7
390.14252	1.2
465.60883	1.5
552.39233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.401
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
69.55583	0.2
70.81685	0.5
78.26399	0.2
252.44815	0.2
255.23656	0.3
471.21884	0.5
485.23047	0.2
486.24268	0.7
501.26923	0.3
513.23035	0.9
514.23926	0.4
530.23456	0.3
545.25421	2.3
577.28473	0.4
582.75629	0.3
589.25897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38223	0.3
53.95265	0.3
59.01376	6.2
61.98826	1.2
66.92089	0.3
67.47893	0.3
68.99580	0.5
71.01383	3.1
73.02948	1.4
83.01379	0.4
85.02946	1.6
87.00880	0.8
88.98800	0.5
89.02429	1.6
93.03445	0.4
95.01412	0.5
97.02943	0.7
101.02454	1.9
103.04016	0.5
105.03477	0.9
107.05029	0.9
108.02180	0.5
109.02959	2.6
111.00902	1.0
113.02470	1.2
115.03972	0.4
117.03474	0.7
119.03529	0.6
119.04959	0.5
121.02979	0.6
122.03737	0.7
123.04522	6.4
125.02480	0.5
131.03529	0.4
132.02162	1.6
133.02954	35.7
134.03696	2.6
135.04523	38.6
136.04846	1.1
137.02461	0.7
139.03966	0.4
143.03526	0.5
147.04504	0.7
148.05307	0.9
149.02391	1.1
149.06076	3.1
150.03214	5.6
150.04391	0.5
151.04012	12.5
152.04301	0.5
161.02435	100.0
162.02783	4.0
163.06129	0.7
174.03206	0.5
175.04012	3.4
176.57162	0.3
177.05548	4.0
178.02652	0.4
179.03491	36.0
180.03761	1.0
189.05566	0.8
193.05019	0.5
201.05418	0.5
203.01593	0.7
203.03496	13.7
204.03793	0.7
205.07126	0.4
221.04559	3.0
223.01457	0.3
224.90492	0.3
233.04555	2.0
245.04402	0.7
248.36911	0.3
251.05551	1.1
397.11371	1.0
427.12457	4.1
428.13144	0.3
441.13974	1.2
459.15076	3.1
469.13400	2.5
470.13742	0.4
487.14551	10.3
488.15088	0.7
621.18195	47.5
622.18408	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	621.1819
Annotation	Isocrenatoside
Peak:m/z	Relative Intensity
59.01376	8.8
59.95722	0.4
61.98829	2.0
69.37879	2.8
70.05773	0.4
70.39268	0.4
71.01373	5.5
73.02938	2.2
83.01391	1.1
85.02946	2.9
87.00883	1.2
89.02446	2.5
95.01379	0.7
95.20528	0.4
98.20634	0.7
98.47304	0.4
99.00886	0.7
101.02429	3.8
105.03456	1.1
107.05004	0.6
108.02153	0.5
109.02940	2.8
111.00942	0.6
113.02434	3.2
116.73123	0.4
117.03450	0.6
123.04521	7.0
125.45356	0.4
128.57642	0.4
132.02138	2.2
133.02948	32.5
134.03777	2.8
135.04515	38.9
136.04836	1.0
137.02484	0.9
145.20953	0.4
147.04491	0.7
148.05336	0.6
149.02435	0.9
149.06061	2.1
150.03209	5.9
151.03992	13.3
161.02428	100.0
162.02765	3.9
163.06128	0.6
175.03947	2.8
177.05577	3.0
179.03484	40.0
179.42725	0.4
180.03767	1.2
189.05566	0.6
203.03484	11.7
221.04536	2.4
233.04517	1.1
251.05608	0.9
301.90961	0.4
397.11731	0.7
427.12341	3.3
428.12271	0.5
441.14029	0.9
449.88263	0.5
459.15057	3.3
469.13599	1.8
487.14554	8.2
488.14929	1.1
517.26440	4.0
535.27710	3.1
536.27979	0.6
558.22791	0.5
577.28607	1.7
578.29828	0.8
592.20740	0.5
621.18195	50.2
622.18506	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	621.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.0
61.98826	0.4
62.45942	0.4
69.48769	2.5
70.90857	0.3
71.01375	1.9
72.64370	0.4
73.02944	1.1
77.22179	0.3
83.01385	0.5
84.22054	0.3
85.02936	0.5
85.27869	0.5
87.00862	0.7
89.02416	0.7
91.89363	0.3
93.03440	0.6
95.04972	0.4
96.95982	0.4
101.02444	1.1
105.03487	1.2
108.02182	0.7
109.02927	1.6
111.00898	0.4
113.02444	0.8
117.03447	1.2
119.03519	0.4
122.03732	1.0
123.04519	8.6
125.02448	0.4
132.02170	2.1
133.02951	41.4
134.03796	1.9
135.04518	28.4
136.04823	1.0
137.02458	0.9
139.03970	0.6
143.03470	0.6
144.14018	0.3
147.04494	0.9
149.02426	1.6
149.06059	1.8
150.03235	7.6
151.04008	15.8
161.02432	100.0
162.02774	3.5
163.06145	0.4
169.42508	0.3
175.04024	1.8
177.05548	3.5
179.03487	22.1
180.03831	1.0
180.05373	0.5
181.55530	0.3
189.05562	0.7
203.03488	8.4
207.06511	0.5
221.04416	1.9
229.94376	0.3
233.04532	1.2
251.05563	0.4
349.04065	0.3
397.11475	0.7
418.95322	0.4
427.12546	3.2
441.14001	0.7
459.14957	2.4
469.13367	2.0
487.14557	9.7
488.14941	0.6
621.18195	72.3
622.18567	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	621.1821
Annotation	Isocrenatoside
Peak:m/z	Relative Intensity
59.01384	4.0
69.62782	0.5
71.01384	2.2
71.07072	1.0
73.02944	1.3
75.65265	0.6
85.02931	1.0
87.00903	1.0
89.02438	1.3
97.24223	0.5
101.02450	2.1
105.03520	0.8
109.02958	2.6
111.00883	0.8
117.03441	0.8
123.04501	5.1
132.02167	1.8
133.02962	35.3
134.03699	1.9
135.04524	37.5
136.04785	0.9
137.02464	1.0
147.04478	1.2
148.05263	1.0
149.02417	1.0
149.06107	3.2
150.03207	5.2
151.04016	10.1
161.02437	100.0
162.02812	4.0
163.06136	0.9
175.03984	3.9
177.04185	0.8
177.05518	4.4
179.03487	33.0
180.03812	1.6
189.05626	0.6
193.05095	0.9
203.03496	17.3
204.03836	1.2
207.06555	0.6
210.46999	0.5
221.04538	4.8
233.04541	2.1
251.05612	1.0
351.18729	0.7
397.11386	1.1
427.12381	4.9
441.13956	0.7
459.14923	2.5
469.13327	3.5
487.14642	11.4
488.14801	1.0
621.18231	52.7
622.18665	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	621.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.7
61.98822	4.6
65.08076	0.4
65.08423	0.4
66.59064	0.4
69.16191	2.6
69.16609	1.6
71.01369	2.6
73.02942	2.0
85.02953	1.2
87.00864	0.9
89.02424	1.7
89.03985	0.4
93.03459	0.6
96.95981	0.5
97.02938	0.7
98.20765	0.8
101.02434	3.0
105.03456	1.1
109.02941	3.3
111.00877	0.8
113.02437	0.9
115.03996	0.4
117.03407	0.7
118.16290	0.4
119.03481	0.6
119.04979	0.9
121.02948	0.7
123.04522	6.2
125.02451	0.5
132.02173	2.0
133.02950	35.4
134.03833	2.2
135.04512	37.3
136.04829	1.1
137.02441	0.6
143.03471	0.9
145.05060	0.5
147.04509	1.2
148.05333	0.7
149.02454	1.0
149.06067	3.6
150.03214	6.0
151.04005	11.5
161.02426	100.0
162.02751	3.7
163.04036	0.5
174.03172	0.8
175.04005	4.0
177.05553	5.3
179.03481	29.8
180.03784	1.6
189.05629	0.8
193.05116	0.6
201.05551	0.5
203.03467	16.1
204.03723	0.7
207.06622	0.5
221.04512	3.8
233.04552	1.8
251.05579	1.3
266.43890	0.4
325.15869	0.4
329.10446	0.5
334.55988	0.4
397.11340	0.7
427.12408	4.2
428.12878	0.5
441.13620	0.6
459.14893	2.5
469.13541	2.8
470.58319	0.5
487.14551	10.2
488.14719	1.3
517.26422	0.6
558.22388	2.0
621.18170	47.2
622.18604	6.3
622.28333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1821
Annotation	Isocrenatoside
Peak:m/z	Relative Intensity
51.52383	0.4
59.01377	5.0
61.98818	1.0
66.03741	0.4
68.67307	0.5
69.34834	1.7
69.35246	1.5
71.01392	2.7
71.01730	0.5
73.02951	1.8
76.98776	0.4
83.01364	0.6
85.02956	1.2
87.00840	1.1
89.02431	1.1
93.03429	0.6
93.19183	0.5
101.02422	2.9
102.97549	0.4
103.04027	0.9
105.03458	1.1
107.05055	0.8
109.02949	3.0
111.00893	1.0
117.03445	0.8
119.03543	0.8
119.05040	0.5
121.02963	1.3
123.04504	5.6
124.49603	0.4
131.03464	0.5
132.02200	2.0
133.02951	35.1
134.03851	2.1
135.04520	39.0
136.04855	1.2
137.02402	1.0
139.96497	0.4
143.03545	0.6
147.04498	0.8
148.05281	1.0
149.02451	0.8
149.06087	3.5
150.03214	5.6
151.04001	12.4
154.88605	0.5
159.04433	0.6
161.02431	100.0
162.02795	3.5
163.04070	0.5
163.06108	0.7
170.92181	0.4
174.03067	0.5
175.04021	3.8
176.04282	0.6
177.05560	4.9
179.03482	32.2
180.03813	1.0
189.05586	0.9
193.05019	0.6
203.03494	14.9
204.03845	0.7
207.06618	0.6
221.04558	3.4
233.04565	1.8
237.11507	0.5
251.05556	1.1
363.57455	0.5
372.15240	0.5
373.15787	0.8
397.11179	1.1
427.12451	4.5
441.13708	0.9
459.15131	3.0
469.13574	3.2
487.14536	10.2
488.14835	0.9
541.47784	0.4
621.18182	52.8
622.18689	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	621.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35960	0.4
59.01378	5.5
61.98826	0.8
66.78011	0.4
67.44997	0.4
68.99567	0.5
69.62865	2.9
71.01370	3.3
73.02943	2.0
80.19324	0.4
85.02947	1.7
87.00897	1.0
89.02433	1.7
93.03435	0.7
101.02425	1.6
101.70406	0.4
103.04018	0.9
105.03438	1.0
109.02948	2.7
111.00864	0.8
112.98612	0.7
113.02460	1.2
115.01909	0.5
117.03487	1.0
119.03510	0.6
121.02920	0.8
122.03815	0.5
123.04521	6.8
125.02431	0.8
132.02133	2.1
133.02951	38.0
134.03780	2.7
135.04517	40.1
136.04842	1.2
137.02458	1.4
143.03445	0.8
147.04512	1.2
148.05264	0.8
148.16777	0.4
149.02489	1.1
149.06082	3.1
150.03210	5.7
151.03993	11.7
161.02428	100.0
162.02800	3.6
163.06059	0.9
169.91348	0.4
174.03215	0.4
175.04013	4.3
177.05551	5.0
178.02760	0.7
179.03481	36.1
180.03819	1.4
203.03490	15.1
204.03743	0.6
221.04565	3.2
233.04543	2.4
246.38995	0.4
251.05487	1.2
320.76538	0.5
333.60007	0.6
397.11490	0.8
427.12415	5.0
441.13855	0.8
459.15115	2.0
469.13464	3.1
477.13297	0.5
487.07419	0.7
487.14520	12.8
488.14728	0.6
550.62689	0.4
621.18195	52.8
622.18610	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	621.182
Annotation	Isocrenatoside
Peak:m/z	Relative Intensity
53.42989	0.5
57.57179	0.6
59.01385	3.6
61.42061	0.6
61.98824	2.0
69.26074	2.8
69.26495	2.2
71.01392	1.9
73.02944	1.8
85.02972	1.1
87.00883	1.0
89.02462	0.9
90.94872	0.5
95.05052	0.8
97.48480	0.6
98.20616	1.3
101.02425	2.0
103.04047	0.9
105.03473	0.8
107.04977	0.7
109.02970	3.1
111.00904	1.1
117.03479	0.7
123.04544	5.8
132.02174	1.8
133.02956	32.1
134.03845	1.2
135.04518	38.9
137.02448	0.8
139.04050	0.7
144.62027	0.6
145.02913	0.8
147.04501	1.5
148.05293	0.7
148.43776	0.6
149.02484	0.8
149.06029	3.4
150.03238	5.4
151.04019	10.6
161.02435	100.0
162.02765	3.3
175.03976	5.3
177.05573	5.8
179.03493	36.8
189.05588	1.1
203.03496	17.9
221.04478	3.4
233.04495	2.0
251.05534	1.5
346.89697	0.7
397.11444	0.9
427.12469	5.5
441.13956	1.0
459.14880	3.4
469.13474	2.6
487.14563	13.8
488.14896	1.2
509.33868	0.7
621.18219	52.1
622.18359	6.7
649.05994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03390	0.5
57.03420	0.5
59.01377	28.5
61.98825	1.2
69.40876	1.1
69.41299	2.1
71.01378	4.0
72.99316	0.5
73.02943	1.7
83.01361	0.5
85.02941	2.5
87.00870	1.2
88.98787	0.9
89.02428	2.7
95.01377	1.2
101.02431	3.0
105.03444	1.0
107.05017	0.4
109.02921	2.1
113.02452	3.2
117.03463	0.7
119.05013	1.3
122.03766	0.5
123.04514	6.5
132.02190	2.5
133.01479	0.6
133.02951	36.5
134.03795	2.6
135.04514	40.8
136.04858	1.3
137.02403	1.2
143.03493	0.8
147.04474	1.2
149.02425	1.3
149.06102	2.3
150.03238	6.5
151.03995	12.0
154.11299	0.5
161.02428	100.0
162.02744	3.6
163.04068	0.9
163.06084	0.5
167.85365	0.5
175.03963	3.9
177.05539	3.3
179.03479	38.8
180.03865	1.2
189.05695	0.6
203.03477	11.8
221.04514	2.7
227.16646	0.5
233.04538	1.8
251.05724	0.6
270.60812	0.5
397.11420	0.8
427.12360	3.2
441.14258	0.7
459.15085	4.0
469.13257	2.2
483.16495	1.0
484.41928	0.5
487.14594	8.8
488.14581	0.9
501.17676	1.1
621.18158	45.4
622.18506	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	621.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.8
61.98825	1.1
65.03951	0.9
71.01384	9.6
71.51392	0.7
72.99335	0.7
73.02940	2.6
77.00715	0.6
85.02956	3.0
87.00883	1.4
89.02439	8.3
93.03465	1.3
93.75865	0.6
97.02951	0.9
101.02439	6.0
107.05025	0.6
108.02132	0.8
109.02937	1.6
113.02443	4.0
117.03458	22.3
117.04292	1.2
119.03648	3.6
119.05022	25.7
121.02940	0.8
123.04525	3.5
125.02412	0.7
132.05843	1.1
133.02966	15.7
133.05074	0.7
133.06595	2.3
135.04515	15.4
139.04005	1.7
143.03561	1.0
145.02948	84.0
146.03297	3.0
149.02426	1.5
149.06084	1.2
150.03226	2.2
151.04021	5.5
151.06075	1.0
161.02435	51.8
161.06061	6.4
162.02826	2.0
163.04005	36.0
164.04362	1.8
165.05586	0.8
175.03970	1.2
177.05547	4.0
179.03490	11.8
179.05629	1.5
183.06635	2.0
203.03537	4.6
205.05040	5.9
221.04532	1.5
232.13406	2.5
233.13594	0.8
235.06181	1.2
265.07159	2.9
277.03387	0.6
295.10303	1.5
313.11426	0.8
423.17120	0.9
427.12411	1.6
441.14148	4.4
457.15515	2.6
459.15118	9.4
469.13867	1.1
475.17249	0.8
487.14688	3.9
621.20111	100.0
622.20306	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	621.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02925	2.2
52.11589	2.3
61.74762	2.1
61.98808	4.3
71.51916	2.5
73.55685	2.9
75.31862	2.2
108.56330	2.6
133.02939	11.1
135.04515	9.2
145.02933	3.7
161.02444	32.7
179.03471	9.9
194.51183	2.2
195.78564	2.5
203.03409	4.4
229.95079	2.3
360.71490	2.7
372.29865	2.3
396.14401	2.5
443.18655	3.4
444.19547	2.9
445.20187	10.6
446.20950	4.8
457.20560	5.9
458.21191	5.8
459.22372	16.1
460.22638	5.1
461.23398	5.4
471.18054	7.3
473.23572	6.3
474.21579	16.1
475.20837	3.6
485.19669	15.9
486.20517	38.0
487.14407	3.5
487.20905	7.1
488.18610	9.0
489.18964	10.8
489.22998	13.9
501.22977	100.0
502.23123	23.2
516.18201	12.1
518.23212	14.8
519.23639	3.0
527.20728	11.1
533.25885	34.4
534.24646	3.9
545.21851	64.8
546.21985	7.8
548.20453	16.1
559.23505	15.5
560.23389	4.1
561.21155	6.5
562.21942	16.1
577.24518	25.2
578.24640	4.3
620.39624	6.4
621.24835	28.5
621.38495	3.9
622.24280	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	621.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
58.00582	0.8
59.01376	29.7
61.98392	0.4
61.98830	0.5
69.29357	1.6
69.29794	1.4
70.70453	0.3
71.01376	13.3
72.99297	1.0
73.02944	3.9
81.85505	0.3
83.01389	1.2
85.02947	4.1
86.43503	0.4
87.00878	1.4
89.02439	13.9
90.02776	0.4
93.03440	0.6
95.01386	1.5
99.00863	0.5
101.02432	8.0
103.04000	0.6
105.03465	1.5
107.05014	0.8
109.02990	2.1
113.02451	8.5
117.03470	1.0
119.03507	4.3
119.05003	2.1
121.02950	1.0
122.03716	0.8
123.04535	8.1
125.02389	0.4
126.32188	0.4
131.03532	0.8
132.02193	2.0
133.02951	36.7
134.03665	1.4
135.04515	26.4
136.04829	1.2
137.02420	0.6
143.03493	1.6
147.04494	0.4
148.05168	0.4
149.02454	1.6
149.06018	1.8
150.03204	7.1
151.04001	15.8
152.04324	0.6
161.02429	100.0
162.02779	5.0
163.04008	2.0
175.03963	1.4
177.02206	0.4
177.05554	2.2
179.03488	25.0
179.05559	2.2
180.03850	0.9
189.05545	0.6
198.89163	0.4
203.03503	6.8
221.04581	1.3
233.04425	1.3
397.11127	0.6
427.12201	2.5
441.14075	0.8
459.15118	3.4
469.13397	2.2
485.92834	0.4
487.14612	4.1
488.15237	0.5
517.26501	11.2
518.26733	1.1
535.27600	8.3
536.27838	0.5
577.28564	2.8
621.18170	53.3
622.18427	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	621.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40690	0.4
55.01869	0.8
56.22299	0.4
57.03429	0.5
58.00586	1.2
59.01377	49.4
60.01721	0.7
61.98836	0.6
62.12394	0.4
71.01376	23.4
72.99299	1.6
73.02943	4.3
81.03461	0.5
83.01381	1.9
85.02945	7.6
87.00874	1.2
88.11649	0.4
89.02439	22.1
90.02775	0.5
93.03455	0.5
95.01388	2.6
96.95970	0.4
97.02953	0.7
99.00845	0.5
101.02435	11.6
103.03963	0.5
105.03468	0.9
109.02963	1.7
111.00883	0.8
113.02441	15.2
117.03494	0.7
119.03497	8.7
119.04983	2.2
122.03724	1.0
123.04534	8.7
124.04860	0.6
125.02433	0.8
131.03494	1.0
132.02187	1.9
133.02953	34.0
134.03673	1.3
135.04517	29.9
136.04820	1.0
137.02443	0.7
143.03500	2.2
147.04532	0.6
148.05251	0.4
149.02431	1.1
149.04573	1.1
149.06042	1.5
150.03200	5.8
151.04007	14.8
152.04324	0.9
161.02438	100.0
161.04605	4.0
162.02777	4.1
163.03999	2.0
175.04018	1.9
177.05565	2.1
179.03487	27.9
179.05592	4.2
180.03804	1.3
181.05003	0.4
189.05600	0.7
190.77724	0.5
193.04967	0.6
198.84279	0.4
201.05495	0.4
203.03493	6.3
221.04558	1.7
223.89836	0.5
233.04501	1.2
240.20836	0.4
251.05562	0.6
325.09082	0.6
355.21100	0.7
397.11307	0.6
427.12399	1.5
428.12537	0.6
441.13782	0.5
459.15036	4.3
466.90436	0.4
469.13425	1.7
475.12454	0.6
487.14499	4.7
517.26489	20.2
518.26904	2.8
535.27551	12.7
535.33777	0.3
536.27954	1.6
577.28424	4.7
578.28821	0.7
621.18170	47.0
622.18579	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03451	0.5
59.01382	4.6
61.98823	0.6
65.03960	34.0
66.04303	0.6
69.43787	2.3
69.44200	1.2
70.45040	0.5
71.01378	2.8
71.88961	0.5
72.99279	1.0
73.02943	0.6
85.02940	0.9
89.02458	2.7
93.03458	5.2
95.05018	3.2
96.96004	0.7
99.00883	0.6
101.02435	2.2
103.20657	0.5
107.05015	0.8
108.02187	0.8
109.02941	0.7
113.02448	1.4
117.03456	4.4
119.03461	0.9
119.05027	8.7
121.02961	0.7
121.06581	15.2
122.67422	0.6
123.04536	1.6
133.02954	6.7
133.05066	1.2
133.06575	0.7
134.03732	0.5
135.04515	7.7
137.02328	0.5
139.04005	77.2
140.04300	1.6
145.02953	17.1
146.03236	0.9
149.05984	0.6
150.03221	0.8
151.04030	2.7
153.05525	0.6
161.02426	20.1
161.06108	1.2
162.02750	1.4
163.04005	9.1
164.04399	0.7
165.05557	16.4
165.06918	1.1
166.05879	1.0
175.03960	1.0
177.05481	0.9
179.03490	5.6
183.06609	100.0
184.06915	3.3
191.05666	0.8
203.03566	3.2
205.05072	1.5
215.09222	42.0
216.09583	2.4
221.04385	0.7
265.07147	0.8
279.25339	0.5
375.15759	0.6
385.45404	0.6
389.11057	1.1
427.12628	0.8
441.13885	0.8
457.15671	0.9
459.15048	1.8
487.14548	1.8
505.15732	1.5
524.15143	0.6
533.99377	0.5
553.49268	0.6
561.51575	0.6
621.19727	25.5
622.19666	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	622.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
92.53286	0.5
103.24654	0.6
128.65866	0.6
138.02831	0.5
155.30315	0.6
186.15691	0.6
186.49236	0.6
193.91307	0.6
210.07385	0.5
443.61893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1972
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
52.26163	0.5
54.15278	0.4
55.15878	0.4
58.55135	0.5
59.01374	4.0
68.11302	0.4
69.03426	0.5
69.15228	2.3
69.15659	2.0
71.01373	2.6
73.02930	2.2
85.02946	1.3
87.00871	1.8
89.02437	1.1
101.02438	2.1
103.04005	0.9
105.03448	0.6
113.02426	0.6
115.04000	0.9
117.03444	0.7
119.03480	0.5
123.04506	1.8
125.02429	0.4
130.09547	0.4
131.03514	1.6
132.02132	2.6
133.02945	40.9
134.03732	1.1
135.04515	23.0
136.04842	0.9
138.85461	0.4
143.03485	1.4
153.05579	1.0
161.02428	100.0
162.02757	3.6
169.53667	0.5
179.03491	9.2
204.95930	0.5
205.07129	1.8
206.23416	0.5
283.94867	0.5
443.15381	1.1
461.16772	3.4
623.19733	51.2
624.20184	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	623.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.4
59.01376	4.2
69.60548	1.7
71.01376	5.7
73.02954	0.3
85.02946	6.1
89.02422	2.1
89.03968	0.4
95.01374	2.2
98.19978	0.5
99.00861	0.4
101.02442	1.1
105.03436	0.4
113.02445	12.5
117.03438	1.0
119.03494	0.7
123.04519	1.2
132.02191	1.7
133.02945	29.0
134.03358	0.9
135.04517	14.1
136.04823	0.6
145.02876	0.3
153.05484	1.4
161.02428	100.0
162.02783	4.0
163.22662	0.3
179.03514	2.3
205.96524	0.3
243.69289	0.3
297.09851	0.5
315.10812	1.1
382.14749	0.4
461.16577	7.4
462.16714	0.5
472.08325	0.3
623.19733	58.5
624.20081	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	623.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
66.57495	0.3
69.66704	0.5
69.67106	1.4
71.01381	2.3
71.97569	0.3
73.02940	2.5
85.02969	1.1
87.00874	1.8
87.04504	0.6
89.02451	1.2
97.02956	0.5
101.02441	1.6
103.03996	0.9
105.03459	0.7
107.05036	0.5
113.02482	0.4
115.03999	1.1
117.03488	0.7
119.03538	0.7
123.04498	1.6
125.02490	0.4
131.03502	1.2
132.02159	1.9
133.02950	39.7
134.03770	1.4
135.04514	22.2
136.04840	1.0
143.03499	1.5
145.02931	0.4
145.05061	0.5
150.03206	0.3
151.27336	0.3
153.05566	0.5
161.02429	100.0
162.02773	5.4
163.06120	0.3
179.01915	0.6
179.03494	9.7
180.03810	0.6
205.07149	1.8
315.10574	0.4
443.15863	0.5
461.16699	3.1
623.19757	77.9
624.20081	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	623.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71250	0.3
57.62471	0.4
59.01376	3.7
60.99303	16.9
61.98813	0.5
69.43620	0.8
69.44033	2.0
71.01382	0.7
83.01424	0.4
87.00856	1.1
88.00426	0.4
88.98802	100.0
89.02444	12.7
89.99132	1.2
97.51372	0.3
98.20767	0.4
113.02426	0.6
123.88181	0.4
126.31734	0.3
133.02953	3.1
135.03619	0.4
135.04510	2.4
136.04848	0.4
161.02426	7.8
162.02771	1.2
163.02979	0.6
179.03404	1.7
180.03801	0.5
347.17136	0.6
374.44577	0.4
375.27441	5.9
401.16110	1.0
503.32037	0.4
623.19501	5.2
623.28943	0.4
624.19543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
59.01376	100.0
60.01717	1.0
60.99302	12.7
61.98824	3.4
71.01373	3.3
73.02951	1.0
83.01383	18.6
85.02952	1.8
87.00879	0.6
88.00402	0.5
88.98801	73.0
89.02436	6.0
89.99153	0.7
93.03495	0.7
101.02450	1.8
109.02956	0.5
113.02442	1.6
119.03525	0.6
121.02944	7.2
122.03732	0.6
123.04535	1.0
132.02229	0.6
133.02963	5.7
134.03281	0.8
135.04500	5.0
136.04846	0.6
137.02446	1.2
151.03998	7.2
152.04512	0.6
159.03009	0.6
161.02438	17.3
161.04588	1.3
162.02815	2.4
166.02715	0.6
166.06329	10.2
177.05562	1.2
179.03503	3.3
181.05061	0.5
198.05354	5.9
203.03363	0.7
210.97008	0.5
327.21649	0.9
345.44241	0.6
371.11407	1.5
375.27417	3.6
386.13672	11.7
387.14151	0.7
401.16003	71.7
402.16342	6.4
488.14697	0.6
623.19446	10.1
623.36719	0.7
624.20135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.5
61.96996	0.5
61.98826	17.4
65.26121	0.5
68.83965	0.5
71.01382	3.5
71.51445	0.8
73.02946	1.2
81.03452	0.6
85.02946	2.3
87.00883	2.0
89.02437	2.1
93.12567	0.6
101.02446	2.5
109.02937	1.5
111.00873	0.7
113.02440	1.5
117.03457	1.3
117.79018	0.5
123.04501	1.5
125.02464	0.8
131.03499	1.7
132.02155	1.0
133.02946	25.1
135.04515	14.8
136.04799	0.8
137.02435	1.0
139.04027	1.3
143.03485	0.7
150.03268	1.1
151.03993	2.4
161.02429	100.0
162.02768	5.0
179.03485	12.0
183.06526	0.7
203.03398	1.0
272.02338	0.6
415.14542	0.6
509.13086	1.0
529.15564	80.6
530.15894	7.7
561.18127	2.1
607.16772	1.2
624.20337	4.8
625.17749	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	624.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.43223	0.2
71.14249	0.3
78.80047	0.2
128.46782	0.2
143.85376	0.2
176.14993	0.3
236.94133	0.2
339.68478	0.2
614.05963	0.2
621.10870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27562	0.3
61.98826	100.0
70.81853	0.6
110.68063	0.3
112.53415	0.4
150.20828	0.4
499.14368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
60.65006	0.2
61.98827	100.0
69.48398	0.6
69.48823	0.7
88.87309	0.2
92.28500	0.2
98.20626	0.3
101.52622	0.1
115.80825	0.2
117.35220	0.2
356.13904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44983	0.8
59.01374	10.0
61.98829	1.5
65.03960	24.0
68.99812	3.7
69.03443	3.9
71.01378	22.6
71.52682	1.4
73.02933	2.1
83.01371	1.7
85.02954	3.3
87.00844	2.0
88.98807	5.0
89.02453	5.1
93.03459	23.6
94.03785	3.2
95.01382	2.2
95.05021	2.3
96.96017	1.0
99.00909	4.6
101.02434	7.8
102.02868	0.9
106.04187	1.0
107.05052	1.3
108.02177	1.3
111.00819	1.3
113.01720	1.0
113.02421	4.1
115.00365	15.7
117.03497	2.5
119.03524	1.5
119.05021	4.4
121.02913	2.4
121.06579	11.6
123.04478	2.5
125.02457	1.0
131.03468	1.3
132.02100	1.2
133.02930	7.4
134.03751	1.6
135.02869	0.9
135.04510	6.0
136.01648	4.0
137.02444	58.1
138.02794	9.7
139.03015	3.6
139.04004	64.9
140.04337	3.1
145.02963	11.3
150.03256	1.4
151.00421	0.9
151.04025	5.7
161.02448	14.0
161.04604	1.6
162.02873	1.7
163.04004	2.6
165.05568	15.3
175.03969	1.7
179.01942	1.0
179.03482	21.2
183.06624	23.3
184.06941	2.6
185.07101	1.4
205.05107	1.1
209.04535	28.4
210.04889	1.2
227.05551	1.4
235.06030	3.4
239.05626	15.7
241.08960	0.9
252.58606	1.0
265.06989	1.5
271.02393	1.4
281.06616	3.8
283.17786	1.0
283.38568	1.0
299.07675	8.9
300.02808	2.8
301.03677	1.1
314.74631	1.0
345.11887	7.0
367.10193	8.7
377.19406	1.1
389.10861	7.5
439.16055	11.2
440.16360	20.5
441.16687	22.8
465.13956	13.4
509.12943	100.0
510.13309	10.0
582.51862	1.1
607.16724	3.0
625.18829	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	625.1768
Annotation	Anacheiloside
Peak:m/z	Relative Intensity
59.01370	3.7
69.35120	1.9
69.35547	2.0
71.01384	4.0
71.33515	0.4
73.02946	1.0
85.02950	0.6
87.00851	1.4
89.02424	3.7
101.02462	1.9
105.03459	1.2
107.04996	0.7
108.02160	0.7
109.02941	2.0
111.00900	0.7
113.02480	0.6
117.03525	0.6
121.57396	0.5
122.03735	0.8
123.04510	8.7
125.02391	0.6
131.03476	0.8
132.02144	2.2
133.02953	36.6
133.42903	0.5
134.03676	1.6
135.04521	24.0
136.04878	0.9
137.02461	0.9
139.04041	0.7
149.02440	1.6
149.04614	0.7
149.06084	1.2
150.03226	7.3
151.04002	19.6
152.04311	0.6
153.95502	0.5
161.02432	100.0
162.02750	3.1
175.03990	1.5
177.05536	1.8
179.03491	19.7
180.03831	0.8
203.03508	5.7
221.04565	0.9
233.04364	0.6
272.91028	0.4
286.43298	0.4
353.08789	0.6
369.82965	0.5
413.10947	0.8
445.13531	2.1
445.19400	0.8
455.11755	0.5
463.14178	1.8
466.80850	0.5
473.13028	4.6
474.13147	0.7
515.14203	3.2
563.97412	0.5
607.16614	24.3
608.16864	3.0
609.40283	0.5
625.17676	49.1
626.18085	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	625.1765
Annotation	Anacheiloside
Peak:m/z	Relative Intensity
59.01384	6.1
61.98814	2.0
65.03941	0.7
66.14285	0.6
69.37054	4.6
71.01379	6.6
71.59986	0.6
73.02924	1.8
83.01408	0.5
85.02952	1.7
87.00882	1.2
88.98795	2.6
89.02430	5.4
92.45528	0.6
99.00833	0.9
101.02452	3.1
107.04999	0.7
108.02185	1.4
109.02952	2.1
113.02419	1.6
117.03459	0.8
119.04971	1.3
120.67790	0.6
121.02918	0.8
123.04517	8.9
124.01596	0.7
125.02451	0.9
131.03459	1.4
132.02159	3.0
133.02946	34.3
134.03816	3.8
135.04514	28.1
136.04802	0.8
137.02437	2.5
139.03975	0.9
145.02969	1.2
147.04405	0.7
149.02444	1.4
149.04485	0.9
149.06058	3.4
150.03194	6.5
151.00424	0.9
151.03998	18.5
152.24179	0.6
160.01646	1.1
161.02429	100.0
162.02760	5.6
175.03958	3.2
176.04765	0.9
177.05580	2.2
179.03485	18.3
180.03844	0.7
191.07062	1.0
193.05087	1.3
203.03435	5.9
221.04584	1.2
222.65536	0.6
232.42749	0.6
233.04465	1.2
235.06113	5.2
251.05734	0.9
255.02977	1.7
265.07242	0.8
267.08688	2.7
271.02429	3.1
293.09000	0.7
300.02759	4.2
301.03546	2.3
303.91379	0.6
413.10532	1.1
445.13239	1.8
463.14603	3.7
473.12836	5.2
474.13354	0.7
491.15561	2.5
515.13977	3.6
570.74036	0.6
607.16547	22.9
608.17133	3.3
625.17737	50.3
626.17670	6.7
632.46576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36349	0.2
59.01377	3.1
61.98822	2.6
67.63848	0.2
69.18453	1.4
69.18858	0.4
71.01360	1.1
73.02939	0.4
76.04151	0.2
79.95726	3.8
83.01379	0.2
85.02949	0.4
88.98788	0.5
89.02457	0.2
96.96004	100.0
97.95950	0.4
101.02432	0.6
107.05026	1.1
109.06614	0.2
113.02445	0.5
114.18494	0.2
133.02885	0.2
135.04512	0.3
147.04630	0.2
151.03957	0.3
161.02408	0.8
161.04535	0.4
162.02762	0.2
179.03552	0.3
197.11732	0.3
209.11769	0.5
211.13380	0.7
229.14391	0.4
274.79724	0.2
293.65521	0.2
299.55453	0.2
307.74280	0.2
313.18082	0.8
314.18378	1.3
329.23221	2.7
330.23547	0.2
441.28223	0.2
514.18774	0.2
521.23859	0.4
539.25287	11.9
540.25500	1.3
581.26318	28.5
582.26654	3.3
607.23901	2.0
608.23999	0.2
625.25281	9.9
626.25592	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69171	0.8
57.03461	1.2
59.01376	12.0
61.51828	0.8
61.98827	100.0
63.50895	0.8
66.09837	1.0
69.19371	7.5
71.01373	5.2
73.02942	2.3
75.00881	3.8
80.41023	0.7
83.01360	1.1
85.02939	2.6
89.02435	0.9
90.93459	0.9
101.02461	4.1
113.02469	1.6
118.84971	0.8
122.06109	2.2
135.04471	0.9
152.07143	2.0
168.84296	0.8
169.12418	1.3
171.10246	2.2
172.10703	0.9
191.05588	1.4
197.11821	11.6
198.12129	7.5
207.47446	0.9
209.11786	12.4
210.12114	7.5
235.13350	1.7
236.13722	0.9
239.11885	1.4
269.19122	1.3
285.18542	3.9
287.20129	30.5
288.20490	2.5
297.18436	1.6
301.21759	1.6
302.22186	1.7
315.19592	34.1
316.20004	2.5
330.16080	1.3
356.19839	0.8
434.21130	1.0
447.81180	0.9
459.23730	7.6
460.24115	1.4
477.24771	10.1
495.24072	1.0
504.21451	3.2
515.42700	0.9
519.25940	83.6
520.26343	8.8
563.22571	2.5
595.25952	4.7
608.31311	1.9
626.32672	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	626.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28608	0.2
61.98827	100.0
68.99586	0.2
69.98245	1.0
71.97774	0.2
97.81396	0.2
97.98599	0.2
105.72552	0.2
137.23875	0.2
139.01015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35502	0.4
61.98827	100.0
62.25465	0.4
70.26146	1.2
70.26495	0.6
72.63649	0.4
74.68802	0.4
75.17246	0.4
83.95664	0.4
88.23583	0.5
113.44353	0.4
129.45337	0.4
161.75009	0.4
223.31209	0.4
298.89566	0.5
574.16766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2095
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
52.43446	0.3
61.98827	0.6
73.02934	1.1
79.20469	0.3
79.92173	0.3
98.20702	1.2
116.92877	0.5
118.22592	0.3
119.52257	0.4
199.02119	0.3
206.97034	0.3
215.06467	0.3
256.47626	0.3
385.86588	0.3
437.12256	0.7
438.13315	1.3
449.82922	0.3
451.14105	1.2
452.14902	3.0
453.15198	0.9
455.09860	0.3
465.16208	0.7
466.16211	0.5
469.11368	0.4
472.34680	0.3
479.17203	0.9
480.14120	0.3
481.14957	6.7
482.15356	1.3
484.13538	0.5
493.15601	1.7
494.15735	0.8
495.16739	13.2
496.17056	2.3
507.16818	0.7
508.17743	2.0
509.18411	1.6
512.13263	1.1
521.14929	0.8
522.15533	0.8
523.16583	1.0
523.19019	0.9
524.19769	0.3
526.14838	1.1
533.18329	0.4
535.16138	1.6
536.16864	2.5
537.17303	0.5
539.15619	0.7
540.17053	2.7
541.16687	0.5
551.19348	36.3
552.19647	8.0
553.17157	0.4
554.17883	1.2
555.18671	1.1
567.18866	0.4
568.16064	0.6
572.15546	2.5
573.15533	0.5
583.21912	0.7
586.17108	2.1
587.16949	0.6
595.18201	7.7
596.18408	1.3
627.20905	100.0
628.21155	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53761	0.3
55.56521	0.3
55.80639	0.3
59.01381	2.4
61.98818	1.4
62.60017	0.3
68.54056	0.3
69.03477	0.5
69.24970	2.9
71.01379	0.8
72.99241	0.3
73.02938	0.4
79.95744	3.2
85.02979	0.3
89.02422	0.3
96.96010	100.0
97.05938	0.3
97.81602	0.3
97.95934	0.3
98.19862	0.5
98.95601	0.8
101.02424	0.6
109.02933	0.7
127.20802	0.3
132.91316	0.3
133.02950	0.4
153.01900	0.3
161.02406	1.0
162.11676	0.3
203.84077	0.3
264.81192	0.4
276.35760	0.3
347.18130	0.3
443.30167	0.5
523.26056	0.4
541.26874	12.0
542.26764	1.2
573.20111	0.4
576.39136	0.3
583.27881	25.8
584.28113	2.5
609.25775	1.1
610.25946	0.3
627.26770	11.8
628.26904	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	627.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12734	0.2
59.01375	3.3
61.98820	0.8
71.01367	0.9
73.02937	0.9
79.95723	3.3
83.01376	0.4
85.02948	0.3
87.00877	0.3
89.02432	0.6
95.95228	0.4
96.96005	100.0
97.95979	0.2
101.02431	0.9
103.00352	0.4
113.02435	0.3
137.02423	0.2
161.02406	0.3
229.59163	0.2
291.24573	0.2
336.95203	0.2
361.20557	0.4
376.27408	0.2
389.94806	0.2
541.26843	16.9
542.27380	1.9
583.27875	26.8
584.28137	3.0
609.25781	2.2
612.04486	0.2
627.26843	15.5
628.27197	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	627.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65390	1.0
55.01863	1.4
57.03432	4.3
58.00587	2.8
59.01373	100.0
61.98819	3.7
68.99810	1.4
69.03447	2.1
71.01376	49.1
71.51498	1.7
72.99304	4.1
73.02931	11.2
75.00871	1.7
78.48125	1.2
81.03446	1.2
83.01380	5.3
85.02940	10.4
85.59254	1.0
87.00864	9.4
88.98803	2.1
89.02438	70.5
90.02769	1.2
95.01402	4.7
96.95976	1.9
97.02957	1.6
99.00877	10.8
101.02429	34.2
107.05043	1.0
107.18966	1.0
108.02155	12.9
109.02963	0.9
111.00869	17.7
113.01622	1.3
113.02438	26.5
115.00353	1.4
119.03484	28.3
119.04905	1.5
123.00842	1.1
123.04514	4.9
125.02428	1.5
127.00335	1.8
129.01929	7.5
131.03514	7.4
135.04506	2.8
137.02419	3.0
137.06079	1.3
139.03992	1.6
141.01921	11.1
143.03494	7.4
145.02933	1.6
149.04530	3.8
149.09685	3.3
153.05571	13.4
159.02972	36.9
159.04297	2.0
161.02420	3.4
161.04520	11.8
163.03966	1.3
165.01906	8.3
165.05518	2.0
166.02696	1.5
171.06618	5.9
175.02493	2.2
179.03325	1.9
179.05594	48.1
179.06947	1.7
180.04311	6.1
180.05727	1.6
181.05009	2.7
191.05692	1.4
193.04985	1.2
195.06575	6.7
207.13879	2.3
209.08046	1.1
210.05270	1.4
211.06087	2.7
225.07658	2.7
226.85443	1.2
265.07297	1.4
283.08154	3.1
293.12466	1.3
313.09192	2.7
314.09503	1.0
333.11765	1.3
337.09412	1.5
405.16556	1.2
405.21088	5.9
491.15485	3.4
523.62585	1.0
543.96356	1.2
552.43262	0.9
557.84991	1.1
567.26489	33.9
568.26874	4.8
609.17767	1.2
624.68860	1.1
627.19104	10.5
628.19678	2.0
636.77698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97439	0.3
55.01866	0.4
57.03432	1.4
58.00587	0.6
58.27595	0.3
59.01376	11.8
61.98831	2.9
65.01934	0.3
69.03444	0.7
70.60191	0.7
70.60561	0.6
71.01374	10.3
71.05008	1.3
72.99304	0.8
73.02930	1.8
79.95767	0.4
81.03459	0.6
83.01363	0.8
83.05016	2.3
84.02138	0.5
85.02944	4.6
87.00874	0.3
89.02439	7.0
90.46956	0.3
90.53983	0.3
95.01376	0.8
95.05008	0.8
96.95993	5.0
97.02951	0.6
97.06576	0.9
99.08152	3.5
100.23192	0.3
101.01816	0.4
101.02435	5.8
101.06062	2.0
107.05039	1.6
107.05611	0.3
108.02159	4.5
113.02444	5.7
113.06077	0.4
114.16254	0.3
119.03485	3.0
122.03731	0.6
123.04493	1.4
123.08150	0.7
125.02412	0.6
125.09702	1.0
127.11277	1.0
129.09235	0.6
131.03461	0.7
133.02942	1.0
134.03740	2.2
135.04514	12.3
136.04829	0.3
137.02412	0.4
139.11246	0.6
143.03494	1.0
151.11253	0.5
153.05516	2.2
153.09190	0.7
155.10773	0.7
155.14357	0.7
161.02441	2.5
161.04541	1.7
163.11201	0.4
167.14378	1.6
171.10281	2.0
179.03470	1.1
179.05536	1.9
181.12274	0.5
183.13896	3.7
185.11832	0.3
185.15462	0.4
191.10832	0.4
191.14384	9.1
193.12326	2.0
195.13890	0.3
197.15471	0.4
199.13490	0.4
207.13873	0.8
209.11824	1.0
209.15350	1.3
211.13373	18.8
212.13713	0.9
213.15079	0.6
223.13297	0.4
223.27168	0.3
225.14919	1.1
229.14417	12.5
235.13347	6.3
243.15913	1.0
253.14441	2.9
293.21161	1.3
297.09802	0.5
311.22241	8.1
315.10837	13.7
316.11182	0.9
327.21973	0.3
329.23291	100.0
330.23615	7.8
341.08957	0.3
343.24838	0.7
353.23279	23.1
354.23611	2.1
365.23401	1.6
371.24298	4.9
383.23914	0.7
425.25244	0.4
431.26437	0.7
541.26868	0.9
573.19641	1.3
583.27710	1.8
627.24994	0.5
627.34442	5.0
628.34052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41721	0.7
55.11545	0.7
61.98826	100.0
64.93736	0.7
70.78162	1.0
70.78497	1.1
86.58275	0.6
89.80812	0.6
104.62700	0.8
117.31866	0.6
131.21373	0.7
145.45062	0.7
172.38071	0.7
191.46802	0.6
220.60017	0.7
231.80980	0.7
348.73685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
63.73188	0.3
70.09922	0.3
70.85582	0.3
70.99885	0.5
71.00234	0.7
85.37211	0.3
96.10307	0.3
105.01880	0.3
113.70102	0.3
241.13557	0.3
383.95010	0.3
623.18011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
57.03440	2.6
58.00586	1.4
58.21162	0.5
59.01377	25.5
61.98828	1.0
67.01884	0.8
68.99813	2.5
69.03443	1.7
70.59729	1.1
70.60043	0.7
71.01378	22.3
72.99303	3.1
73.02941	21.1
75.00871	1.8
83.01385	5.7
85.02946	7.7
87.00874	8.3
89.02443	17.8
95.01383	3.3
97.02943	1.9
99.00874	17.7
100.01173	0.6
101.02435	20.8
107.05039	1.2
108.01487	0.4
108.02169	14.9
111.00875	22.0
112.01292	0.7
113.02441	19.3
115.00347	3.8
119.03482	9.4
123.00870	1.2
123.04533	3.3
125.02406	1.1
127.00352	1.3
129.01936	17.9
131.03462	3.9
134.03723	0.8
135.04517	11.9
137.02397	0.7
141.01923	7.6
143.03479	1.4
145.02905	0.9
147.04475	0.8
149.04611	0.7
149.85663	0.6
153.05556	6.5
159.02977	100.0
160.03235	2.7
161.04526	1.8
161.06085	0.6
163.04050	0.6
175.02493	1.2
175.03928	0.9
177.05566	1.5
179.05618	6.0
187.03993	0.6
205.05112	0.9
219.06651	1.1
247.05978	0.7
295.08279	1.2
315.10818	22.4
316.10913	1.3
333.11877	4.1
417.14188	0.8
427.12390	2.5
445.13495	4.1
475.14587	6.4
553.13324	0.6
629.17651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
57.03445	2.1
57.33331	1.1
58.00598	1.8
59.01376	54.3
65.93228	1.2
66.03236	1.3
68.99806	3.6
69.03441	1.9
70.47240	1.4
71.01382	38.1
72.99307	7.6
73.02943	16.7
75.00883	1.6
80.75808	1.2
81.60606	1.4
83.01386	8.8
85.02948	14.3
87.00893	7.4
89.02440	46.3
89.03008	2.5
89.39727	1.2
95.01375	6.5
97.02940	2.9
99.00861	15.9
101.02441	31.5
107.05032	1.9
108.02171	41.4
109.02987	1.4
111.00874	38.8
111.04482	1.3
113.02444	31.2
115.31657	1.3
119.03492	22.6
123.04510	6.2
129.01935	17.2
131.03477	4.0
134.03714	1.8
135.04520	29.5
139.01317	1.2
141.01930	18.1
143.03442	2.6
147.04572	1.3
149.04512	2.6
151.67294	1.2
152.16216	1.4
153.05574	12.7
159.02979	100.0
160.03296	2.1
161.00848	1.3
161.04546	3.0
171.56221	1.3
179.05598	11.5
191.05659	1.8
192.47911	1.3
193.54898	1.5
228.58116	1.3
229.59926	1.7
277.12228	2.6
315.10803	61.7
316.11075	3.0
324.92563	1.2
333.08090	1.9
333.11862	26.5
339.34125	1.4
475.14340	8.9
476.14490	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20109	0.5
50.85033	0.5
55.01872	0.8
57.03444	1.0
58.00585	4.4
59.01374	91.2
60.01723	0.5
65.03989	0.5
71.01376	77.7
72.01712	0.7
72.99298	6.1
73.02950	1.9
81.03438	0.6
83.01393	1.8
84.02134	0.6
85.02937	10.9
87.00873	3.8
89.02436	100.0
90.02767	1.3
95.01360	4.6
99.00886	0.5
101.02433	32.0
107.05014	1.5
108.02145	0.9
113.02441	28.8
114.02753	0.7
119.03491	28.2
119.04871	1.0
120.99632	1.4
123.04477	0.7
125.02402	0.8
131.03490	4.8
133.06589	0.6
135.04506	4.4
143.03467	8.2
145.67853	0.5
149.04526	3.4
153.05556	0.7
161.04512	9.1
161.06023	6.8
164.07114	0.8
165.05551	0.8
179.05591	35.5
180.05919	0.8
183.06543	1.2
191.05493	1.6
205.67191	0.5
241.07118	1.0
267.05466	0.4
271.09561	1.9
281.65695	0.5
294.97174	0.5
329.89587	0.6
372.85187	0.6
375.18909	0.5
451.16031	25.4
452.16553	2.6
481.16928	1.2
505.16605	0.8
511.18011	0.7
523.17621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40028	0.4
73.02972	0.4
96.42806	0.4
105.09099	0.5
117.03462	25.0
118.03764	1.0
119.05029	3.8
119.13741	0.4
121.02922	0.4
121.26815	0.5
145.02946	100.0
146.03282	3.2
163.04008	2.7
247.08897	0.5
259.72589	0.5
310.71155	0.5
379.82803	0.5
453.30212	0.8
465.30145	0.6
467.31216	0.8
480.67114	0.5
631.36334	70.1
632.36768	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	631.3636
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
59.88499	0.3
61.98819	1.2
69.34850	1.3
69.35283	1.4
70.46841	0.3
79.83366	0.3
80.96542	0.4
98.20628	0.5
115.99516	0.4
117.03458	24.6
118.03808	0.8
119.05013	3.7
121.02925	0.5
145.02943	100.0
146.03296	3.7
163.04024	2.8
172.58099	0.3
198.02890	0.3
203.81056	0.3
349.82401	0.4
453.30301	0.9
465.29941	0.4
467.31805	1.0
584.02856	0.4
631.36340	73.1
632.36700	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	633.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.6
56.64162	0.3
57.03434	0.3
59.01378	4.2
61.98818	2.8
71.01381	4.2
73.02947	1.1
75.00862	0.5
83.01383	57.2
84.01730	1.0
85.02937	1.4
89.02432	1.3
93.03455	0.6
99.00874	19.7
101.02460	1.6
108.02163	0.5
109.08508	0.3
113.02444	1.2
119.03457	0.5
121.02063	0.5
121.02947	9.9
123.00882	1.9
123.04507	0.3
133.02945	3.2
135.04529	1.4
136.05289	17.9
137.05914	0.5
138.03229	0.9
147.04535	0.6
151.07733	0.3
161.02449	8.1
161.04556	0.7
161.06001	0.4
162.02855	0.3
165.04031	1.0
168.04254	5.3
179.03438	0.7
209.08154	0.5
235.09741	1.7
242.09071	0.3
312.13721	0.7
356.12634	7.0
357.12933	0.9
371.14944	100.0
372.15268	9.1
409.83868	0.3
424.22424	0.3
453.24850	2.4
570.22675	0.4
633.21899	3.0
633.31488	1.5
633.40430	0.4
634.22412	0.4
634.31488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67767	0.6
58.00577	1.6
59.01375	13.6
61.98831	1.5
64.46419	0.6
65.03959	67.1
65.07472	0.6
66.04284	0.9
69.03436	1.0
69.38598	3.4
69.39010	1.2
71.01376	10.7
73.02930	1.2
81.03443	0.9
83.01380	0.7
85.02950	2.5
87.00845	0.8
89.02441	10.8
93.03461	4.9
95.01414	1.0
95.05003	3.8
96.96002	8.9
96.96977	0.8
99.00909	0.7
101.02441	6.3
106.04227	3.7
107.05020	2.6
108.02167	9.6
113.02452	4.5
119.03477	5.0
119.04999	4.6
121.06593	21.5
123.04523	3.9
124.73759	0.7
129.18857	0.8
133.02950	14.7
135.04524	7.3
139.04008	70.2
140.04347	2.1
143.03436	0.9
147.04495	2.5
149.06059	1.0
151.03992	11.1
153.05551	1.2
155.46606	0.6
161.02420	1.2
161.04611	0.8
161.06053	2.1
165.05553	32.7
166.05978	1.4
173.48117	0.7
175.03987	50.2
176.04347	2.0
179.03455	1.7
179.05539	2.6
183.06606	100.0
184.06952	3.9
193.05035	22.8
194.05432	0.7
205.05063	5.0
211.06229	1.2
223.06094	7.9
229.80119	0.7
235.06050	2.6
253.07161	19.5
254.07608	1.1
297.09695	1.0
315.10852	16.9
316.11136	0.7
381.82455	0.7
382.17688	0.8
423.88651	0.7
449.14490	37.8
450.14908	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	633.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33063	0.2
55.82966	0.3
57.60514	0.2
61.56298	0.3
61.98828	0.5
62.98843	0.2
91.39622	0.2
96.07100	0.3
98.19825	0.4
116.92860	0.8
117.03459	23.1
117.92863	0.5
118.03806	0.9
118.92673	0.5
119.05009	3.4
121.02953	0.5
145.02943	100.0
146.02249	0.4
146.03302	3.2
163.04025	3.2
373.01553	0.3
437.30548	0.5
455.31650	0.8
469.33243	0.5
471.34387	0.6
533.05078	0.3
633.37885	77.4
634.38275	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	633.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29310	0.2
61.91221	0.2
61.98830	0.3
64.15015	0.2
70.60052	0.5
76.70802	0.2
117.03461	25.1
118.03795	0.9
119.05024	3.1
121.02944	0.4
145.02943	100.0
146.03288	3.5
163.04005	3.0
187.24155	0.2
189.02460	0.2
289.54718	0.2
425.30594	0.5
430.00171	0.2
439.32333	0.3
455.31628	0.5
467.31735	0.7
469.33249	0.7
487.34402	0.3
513.32263	0.3
589.37866	0.2
633.37891	79.8
634.38275	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	633.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99250	0.2
61.98822	0.5
70.00992	0.2
71.52003	0.3
93.98967	0.2
95.81226	0.2
97.39246	0.2
116.92874	0.9
117.03463	24.8
117.92872	0.5
118.03780	0.9
118.92676	0.4
119.05022	3.8
121.02949	0.6
123.04476	0.2
133.02904	0.2
145.02946	100.0
146.03279	4.0
147.04488	0.2
163.03975	3.0
165.67085	0.2
187.35533	0.2
232.58560	0.2
244.77597	0.2
423.28864	0.2
425.30551	0.4
437.30084	0.2
455.31564	0.8
467.31522	0.5
469.33176	1.0
487.34317	0.3
513.32343	0.3
633.37891	75.9
634.38281	14.6
634.46387	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77903	0.1
54.89406	0.1
55.01876	0.3
58.34517	0.1
59.01375	100.0
60.01711	0.7
61.98837	0.8
71.01389	0.4
71.53432	0.2
83.01381	8.6
84.01725	0.2
85.02905	0.1
93.03465	0.6
97.69212	0.1
101.02433	0.2
108.93047	0.1
113.02408	0.1
121.02946	7.6
122.03741	0.2
123.00883	0.3
123.04491	0.1
129.10544	0.1
133.02975	0.1
134.03705	0.2
135.04472	0.5
136.01663	0.3
136.05280	2.7
136.06239	0.2
137.02475	0.2
137.05940	0.2
138.03239	0.2
147.04524	0.4
151.03978	0.4
161.02434	0.4
161.06073	0.2
163.04027	0.1
168.04257	0.8
173.53864	0.1
179.03574	0.1
185.00890	0.1
187.70627	0.1
191.38510	0.1
197.15405	0.1
235.09775	0.2
246.54074	0.1
356.12595	11.4
357.12985	1.0
371.14938	38.2
372.15283	3.6
573.19543	0.2
591.33459	0.2
635.34888	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	635.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30406	0.3
59.01375	100.0
60.01712	0.8
69.44725	2.2
70.37012	0.3
72.82760	0.3
74.28876	0.4
83.01382	7.3
93.03448	0.4
98.19814	0.5
121.02953	5.5
134.81474	0.3
135.04561	0.6
136.05284	2.3
161.02344	0.4
168.04272	0.3
178.73944	0.3
190.52751	0.3
289.02982	0.3
307.19247	0.3
344.72095	0.3
356.12579	8.3
357.12964	0.6
371.14941	26.5
372.15240	2.6
417.98276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2506
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
59.01356	1.2
61.98824	7.0
70.52021	1.3
71.01381	0.6
78.95864	0.4
89.02472	0.5
101.02406	0.6
203.12830	0.4
255.23207	0.5
277.21716	1.1
300.28464	0.4
375.20032	0.5
419.18695	1.9
429.17334	0.5
430.13794	0.9
431.19440	3.3
432.19327	0.4
433.20248	1.1
434.21094	0.9
443.14941	0.5
444.15698	0.6
445.16028	2.5
446.16263	0.5
446.21747	0.9
447.18106	0.5
457.20898	0.6
458.17349	1.8
459.18295	1.5
460.15070	0.6
471.18130	0.8
472.19351	0.5
473.15808	2.7
473.21365	2.6
474.16745	7.6
475.17429	3.2
486.20529	0.8
487.17810	1.8
488.18488	5.1
489.19107	4.6
490.20068	4.8
491.20044	0.5
501.18768	2.0
502.19962	0.6
503.21063	0.5
505.22470	4.1
506.22388	0.6
516.18030	1.6
529.18860	2.2
531.20178	0.8
547.23663	0.5
549.21075	2.3
559.23218	1.1
560.20642	1.6
561.21124	0.5
575.22949	14.0
576.23633	8.4
577.24194	1.1
592.23926	0.4
603.22412	1.9
635.25055	100.0
635.41907	3.8
636.25372	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	635.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16651	1.6
59.01378	46.1
61.98825	7.9
65.87242	1.6
70.47900	1.5
71.21310	3.0
78.95901	3.2
79.92105	1.6
90.43371	1.6
93.50674	1.6
184.52524	1.6
213.33015	2.1
222.01822	1.7
223.13402	1.9
302.05209	2.3
431.18781	4.9
445.16696	2.2
458.17599	2.2
473.16058	2.5
474.17072	6.8
475.17529	3.6
487.17780	3.6
488.18475	7.4
489.19208	4.5
490.19995	5.6
505.22617	2.1
515.98804	1.9
516.17773	2.4
529.18799	2.6
548.20361	4.0
575.22931	16.1
576.23877	9.4
603.22821	3.6
635.25043	100.0
636.25458	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
57.03442	1.9
58.00591	4.0
59.01376	100.0
69.90205	2.0
71.01379	64.2
72.01733	1.1
72.99304	6.1
73.02937	3.3
75.00879	0.6
81.03465	0.8
83.01380	3.2
83.29018	0.4
85.02943	13.8
87.00863	3.4
87.20998	0.5
89.02440	86.6
90.02712	0.8
91.05530	1.9
93.03448	1.9
95.01388	4.4
96.95990	1.9
97.02913	0.6
99.00874	1.5
101.02438	43.9
102.02757	0.9
103.02302	0.5
104.00438	0.5
107.05022	6.5
107.96523	0.5
108.02168	39.3
109.02982	1.4
111.00865	1.4
111.04454	0.8
113.02444	29.1
119.03495	44.9
120.03766	0.5
121.06621	0.5
122.03699	0.7
123.04546	2.7
125.02424	1.4
131.03487	4.5
134.03732	4.8
135.04518	48.5
136.04848	1.0
143.03487	8.9
149.04547	3.7
153.05563	8.2
157.08644	2.3
159.03015	1.0
161.03302	0.7
161.04552	13.1
162.05002	0.7
163.03952	0.7
164.72197	0.5
179.05600	19.2
191.04024	0.7
191.05612	9.8
280.65146	0.5
315.10840	61.6
316.11057	3.8
319.10327	1.1
319.13956	21.8
320.14081	1.2
339.87436	0.5
353.08545	1.8
370.65576	0.5
386.44928	0.5
459.84250	0.6
635.21759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
57.03442	1.9
58.00591	4.0
59.01376	100.0
69.90205	2.0
71.01379	64.2
72.01733	1.1
72.99304	6.1
73.02937	3.3
75.00879	0.6
81.03465	0.8
83.01380	3.2
83.29018	0.4
85.02943	13.8
87.00863	3.4
87.20998	0.5
89.02440	86.6
90.02712	0.8
91.05530	1.9
93.03448	1.9
95.01388	4.4
96.95990	1.9
97.02913	0.6
99.00874	1.5
101.02438	43.9
102.02757	0.9
103.02302	0.5
104.00438	0.5
107.05022	6.5
107.96523	0.5
108.02168	39.3
109.02982	1.4
111.00865	1.4
111.04454	0.8
113.02444	29.1
119.03495	44.9
120.03766	0.5
121.06621	0.5
122.03699	0.7
123.04546	2.7
125.02424	1.4
131.03487	4.5
134.03732	4.8
135.04518	48.5
136.04848	1.0
143.03487	8.9
149.04547	3.7
153.05563	8.2
157.08644	2.3
159.03015	1.0
161.03302	0.7
161.04552	13.1
162.05002	0.7
163.03952	0.7
164.72197	0.5
179.05600	19.2
191.04024	0.7
191.05612	9.8
280.65146	0.5
315.10840	61.6
316.11057	3.8
319.10327	1.1
319.13956	21.8
320.14081	1.2
339.87436	0.5
353.08545	1.8
370.65576	0.5
386.44928	0.5
459.84250	0.6
635.21759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33002	0.4
53.65086	0.4
59.01365	1.3
61.98816	0.6
69.72395	1.9
71.01386	0.8
73.02958	0.4
82.04205	0.4
82.11141	0.4
86.85787	0.4
104.37987	0.4
108.02183	0.5
113.02431	0.4
117.03459	12.7
118.03768	0.4
119.05019	23.4
120.05348	0.5
121.02948	52.3
122.03268	1.2
123.04539	0.6
133.02867	0.5
135.04486	1.6
135.57312	0.4
145.02940	58.2
146.03268	2.4
157.57581	0.4
162.03133	0.4
163.04034	3.4
181.05087	0.7
187.10780	0.4
223.86949	0.4
277.21619	2.0
291.23343	1.7
447.64255	0.5
453.33627	3.7
454.34036	0.4
471.34766	2.1
497.32678	19.0
498.32990	2.3
513.35162	0.5
560.52509	0.4
591.28015	0.4
617.38403	100.0
618.38696	20.1
635.39484	16.8
635.49969	0.8
636.39642	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	635.4162
Annotation	Ginsenoside Rh7
Peak:m/z	Relative Intensity
59.01379	4.0
61.98817	1.6
71.01376	6.5
78.95891	2.1
85.02907	0.6
89.02431	8.0
101.02435	4.4
101.41957	0.5
104.92799	0.5
108.29942	0.5
113.02450	1.9
119.03477	2.1
131.03539	0.7
143.03444	0.8
149.04521	0.6
152.99562	2.0
156.97760	0.7
161.04572	1.1
171.10310	0.5
179.05592	5.7
193.19792	0.5
399.14087	1.1
455.35260	100.0
456.35596	13.7
456.41220	0.3
519.12109	0.5
520.00885	0.6
578.11591	0.5
578.93115	0.7
635.25348	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	636.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	13.2
60.47573	0.8
61.98829	15.1
69.18153	4.9
69.18571	2.5
71.01381	6.8
72.99306	0.9
73.02955	1.1
75.00852	2.2
85.02929	1.4
87.00885	1.1
89.02429	4.8
101.02445	6.4
103.00371	3.3
113.02444	2.8
119.03532	2.1
119.04995	1.1
125.28881	0.7
132.02171	1.2
133.02951	27.6
134.03380	0.7
135.04517	8.5
137.02385	1.4
140.31395	0.7
147.04523	0.9
149.06058	1.3
151.04045	1.6
152.04385	1.0
161.02428	100.0
162.02809	3.5
173.06076	0.8
175.04008	1.0
177.05530	2.0
179.03474	9.0
185.35385	0.8
187.04085	0.9
187.07614	4.9
193.05046	1.3
202.06311	5.9
203.03485	1.5
203.10797	0.9
221.04590	1.5
231.10185	8.9
232.10643	0.9
251.05565	1.1
256.61603	0.9
286.32724	0.7
341.08438	0.8
402.87009	0.8
411.16678	6.8
475.12668	1.4
519.15308	0.8
555.18073	1.4
573.19702	91.1
574.20105	12.1
636.33014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	1.2
59.01376	13.0
61.98820	4.9
63.93447	0.6
71.01381	6.6
71.53052	1.0
73.02933	1.8
83.01392	1.4
83.05859	0.6
85.02961	1.6
87.00857	0.9
89.02446	5.5
96.95995	2.3
101.02439	5.3
109.02950	0.9
113.02431	2.5
119.03484	2.0
122.57902	0.6
132.02144	1.5
133.02954	28.9
134.03720	1.1
135.04530	7.5
147.04503	0.9
149.02415	0.9
150.03145	1.0
159.04503	0.7
160.01657	0.7
161.02432	100.0
161.99417	0.7
162.02805	4.1
175.03984	0.9
175.07521	0.7
177.05554	1.9
179.03464	6.0
187.07629	6.3
191.05669	0.9
201.05569	1.1
202.06331	9.2
203.03510	0.7
221.04559	1.5
231.10225	10.3
281.06314	0.8
283.66608	0.7
411.16489	7.0
555.18433	1.9
573.19720	85.8
574.19952	13.3
576.27509	1.2
621.18573	1.0
636.23438	1.2
637.18256	0.9
639.61414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29460	0.4
59.01381	4.3
61.98823	11.4
65.03963	0.8
69.27782	1.1
69.28200	2.9
71.01381	3.8
72.63472	0.4
73.02960	0.8
79.19417	0.4
85.02943	0.9
89.02454	2.0
99.00909	0.4
99.64646	0.4
100.10566	0.4
101.02429	1.8
105.03448	0.7
113.02446	1.6
117.03454	0.7
119.03517	0.8
132.02156	1.8
133.02950	33.8
134.03751	1.4
135.04524	21.8
137.02415	0.5
139.04001	0.7
147.04611	0.7
161.02431	100.0
162.02740	3.8
173.05997	0.7
175.03957	0.8
177.05544	0.7
179.03485	16.4
180.03841	0.5
187.04002	0.7
187.07628	3.7
201.05446	0.5
202.06319	5.7
203.03590	0.8
211.65442	0.5
220.07391	0.7
231.10266	3.9
249.11162	1.0
265.45963	0.5
393.15549	0.9
394.15903	0.5
411.16409	2.2
520.15045	0.9
555.18420	1.4
573.19714	96.0
574.19995	13.9
574.27155	0.4
599.77051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	11.7
61.98826	13.3
71.01372	7.7
71.52425	0.7
72.99304	0.5
73.02959	1.3
75.00868	1.5
83.78044	0.5
85.02954	1.4
87.00868	0.7
89.02433	6.8
95.01335	0.6
96.96044	0.8
101.02433	6.0
103.00375	1.3
108.02214	0.7
113.02458	3.3
116.92828	0.7
119.03500	2.0
119.04996	0.7
123.04532	0.8
128.89986	0.5
132.02121	1.6
133.02953	28.0
134.03658	0.5
135.04515	9.1
136.01611	1.0
137.02385	0.5
139.03986	0.5
147.04576	0.7
149.06087	0.9
151.04042	1.9
159.04469	0.7
161.02431	100.0
162.02753	4.3
163.04001	0.8
173.06018	0.8
175.03885	0.6
177.05566	1.6
179.03479	7.8
187.03992	1.2
187.07640	6.1
188.08229	0.6
201.05547	0.9
202.06361	6.1
203.03603	1.1
203.10779	1.3
209.04662	0.5
216.07765	1.2
221.04558	1.3
231.10231	10.2
232.10616	0.7
251.05571	0.9
281.06744	1.6
382.12869	0.6
385.71082	0.6
388.14505	0.6
411.16611	8.5
412.16629	0.7
441.62823	0.6
475.12839	1.1
476.13409	0.7
555.18964	1.4
573.19714	91.2
574.20062	13.6
593.35065	0.7
601.25385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	10.5
59.01373	2.9
61.98822	1.5
65.03959	0.5
70.02973	4.8
71.01375	2.7
71.52519	0.6
72.00907	3.0
73.02946	0.7
84.69624	0.4
85.02943	0.8
87.00864	0.7
89.02441	2.3
91.05511	3.4
101.02453	2.0
103.05576	0.4
108.02187	0.6
109.02956	4.1
113.02475	1.3
119.05025	2.2
121.02930	1.3
123.04511	2.3
123.05285	0.4
131.03529	0.5
133.02959	6.3
135.04530	4.1
137.02504	0.5
139.03972	0.9
147.04512	21.0
148.04842	0.8
149.02435	1.6
150.03203	0.8
151.04007	0.8
161.02425	12.1
162.09248	0.6
163.03979	5.5
164.07152	53.2
165.01913	1.7
165.05502	0.9
165.07532	2.0
167.03502	2.3
179.03490	2.1
179.05693	0.5
183.06581	1.2
183.97728	0.4
191.05525	1.2
195.06584	0.7
206.08203	100.0
207.08514	5.0
250.07170	1.4
251.05603	0.7
288.63843	0.4
329.08728	0.4
444.13480	0.7
457.13623	1.4
475.14621	5.6
483.10867	0.4
533.26416	0.5
577.21130	1.5
636.21948	0.7
637.17627	18.6
637.28076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06454	0.5
59.01374	7.5
61.98829	4.0
69.27485	4.6
71.01375	6.6
73.02924	1.5
75.00878	0.6
75.82783	0.6
81.03434	0.6
83.01372	0.7
85.02939	2.4
87.00845	1.6
89.02455	3.9
93.03475	2.5
95.04996	0.9
97.02893	0.7
98.20609	1.1
99.00845	0.8
101.02427	3.2
105.03464	1.0
107.05029	1.2
108.02145	1.2
109.02947	23.6
109.03706	1.2
110.03271	0.7
111.00868	0.7
111.22038	0.5
113.02435	2.4
117.03454	1.2
119.03468	1.3
119.05025	1.1
121.02968	4.3
122.03696	0.7
123.04528	8.9
124.01667	0.6
129.01907	0.9
131.03450	1.1
132.02165	2.2
133.02954	34.4
134.03592	0.9
135.04523	17.6
137.02399	2.6
139.04012	4.3
140.04280	0.6
143.03473	0.8
145.02908	3.7
149.02443	5.9
149.06105	0.5
150.03230	1.0
151.03989	7.2
161.02434	66.2
162.02792	2.9
163.03975	1.8
164.01096	0.7
165.01904	7.1
166.02681	1.9
167.03481	13.2
169.05003	0.5
175.03967	0.6
177.01942	1.2
177.05560	0.6
179.03505	10.6
179.05289	0.9
180.03748	0.8
191.03496	1.4
191.05443	0.5
203.03545	1.1
204.72421	0.5
210.65578	0.5
221.04521	1.5
261.78281	0.5
307.08252	0.7
311.07648	0.5
329.08743	3.7
390.83041	0.6
401.23907	0.6
433.14871	1.1
457.13507	10.1
458.13632	0.9
459.12787	1.5
475.14572	28.6
476.15042	2.6
509.14783	1.0
554.11957	0.6
577.28668	3.9
621.17883	0.8
621.68207	0.7
637.17657	100.0
638.18036	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	637.1768
Annotation	Oxoverbascoside
Peak:m/z	Relative Intensity
55.05533	0.5
59.01362	2.7
59.72327	0.4
71.01370	2.7
73.02939	0.8
80.39118	0.5
85.02931	1.0
87.00854	1.0
89.02394	0.8
89.07040	0.6
93.03426	1.3
93.10963	0.5
97.37780	0.5
101.02439	0.6
101.79120	0.5
108.02161	0.6
109.02946	23.2
117.56207	0.5
121.02930	3.7
123.04519	6.0
128.88741	0.6
132.02126	1.5
133.02945	27.2
134.03688	0.8
135.04507	10.5
137.02466	2.9
139.04018	3.3
149.02425	4.8
150.03230	0.9
151.04005	6.7
152.04340	0.6
161.02429	62.4
162.02808	2.6
162.30315	0.5
163.04059	1.0
164.01122	0.9
165.01929	6.5
166.02728	2.6
167.03479	12.9
177.05658	0.5
179.03441	5.6
191.03487	1.4
193.04991	0.6
205.07185	0.7
221.04579	1.1
311.07852	0.8
329.08633	3.5
330.09058	0.6
457.13547	9.1
458.13876	0.8
475.14536	31.7
476.14807	2.3
637.17657	100.0
638.18030	15.6
638.28632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
59.01372	2.3
69.37666	3.4
71.01384	3.9
73.02925	0.6
82.05103	0.5
85.02946	2.8
87.00849	0.7
89.02456	1.2
91.48333	0.4
93.03462	1.6
95.01384	0.9
95.05008	0.6
101.02433	0.8
102.15473	0.5
105.03439	0.8
108.02180	0.9
109.02944	33.6
110.03275	1.2
113.02430	3.5
121.02953	5.4
123.04525	9.1
129.01952	1.0
132.02164	2.0
133.02946	32.8
134.03569	0.6
135.04501	6.4
137.02385	1.9
139.03995	4.0
147.04457	0.6
149.02426	6.8
150.03183	1.0
151.03998	5.9
161.02428	76.0
162.02774	3.0
163.03983	0.6
164.01135	1.3
165.01877	3.6
166.02679	2.1
167.03482	20.1
168.03824	0.9
169.05078	0.6
173.02449	0.4
178.02740	0.5
179.03461	3.7
183.06717	0.5
213.94644	0.5
221.04547	1.2
233.62192	0.5
250.26425	0.5
263.05222	0.5
311.07703	2.2
329.08801	8.8
395.27292	0.5
449.03235	0.5
457.13580	0.7
475.14532	39.7
476.14966	3.3
637.17645	100.0
638.18048	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	637.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01377	21.0
60.01703	0.9
61.98831	4.1
69.03448	3.2
70.03821	0.8
71.01388	3.3
71.52180	1.0
71.52563	0.9
73.02948	1.9
75.00867	61.1
83.01392	3.4
85.02944	1.4
89.02429	1.7
101.02438	4.6
103.00367	100.0
103.04005	14.1
104.03535	2.2
106.06629	0.8
113.02410	1.0
119.04993	1.5
123.04539	1.0
125.02364	0.9
133.02939	3.5
135.04504	2.9
137.02415	1.1
139.04015	0.9
151.03970	1.0
151.71924	0.8
161.02446	7.8
162.02797	1.1
179.03502	3.3
185.00932	2.6
251.57555	0.8
333.41104	0.9
341.62195	0.7
371.15005	3.6
372.15359	1.1
421.68677	0.8
574.20343	2.4
593.34998	1.2
637.18390	2.2
637.32965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
57.03434	1.3
58.00600	0.8
59.01375	28.2
60.16332	0.8
60.37454	0.7
60.62173	0.9
61.98833	5.0
69.03461	1.8
71.01379	18.2
71.52967	0.7
71.53344	1.2
72.99293	1.6
73.02943	5.9
81.03434	0.9
81.37279	0.8
82.40498	0.9
83.01390	2.6
85.02938	8.1
87.00867	2.8
89.02435	8.7
93.03433	2.4
94.79020	0.9
95.01385	1.7
97.02975	1.9
99.00887	0.8
99.04520	1.7
101.02431	13.9
103.04003	3.1
105.03511	0.8
108.02121	0.8
109.02930	1.9
113.02431	5.4
117.03463	31.3
119.03522	3.4
119.05022	37.6
120.05322	1.2
121.02939	3.9
123.04517	11.9
125.02428	3.0
127.04034	1.0
129.01971	1.0
131.03476	1.2
131.05014	1.0
132.05782	1.9
133.02910	4.2
133.06581	4.3
134.84891	0.8
135.04500	4.2
139.02396	0.8
139.03972	0.9
143.03522	1.6
145.02946	100.0
145.04918	2.8
146.03284	3.9
147.04514	1.8
149.02431	11.2
150.03227	27.8
151.04005	25.4
152.04343	1.1
158.03592	1.1
159.04491	6.1
161.02443	9.2
161.04562	2.9
161.06061	8.4
162.03053	1.1
163.04002	37.9
163.06026	6.0
164.04326	1.3
175.03969	1.2
177.05579	4.6
179.03439	3.1
187.04001	40.7
188.04320	1.8
189.05548	1.5
191.07127	1.8
193.04962	1.4
195.05180	1.3
203.03542	0.9
205.03290	1.2
205.05051	12.3
207.13974	1.3
217.04997	4.2
235.06071	3.9
307.10443	1.3
329.15930	2.1
347.16931	3.3
411.12958	13.6
415.23352	1.7
433.24738	0.9
441.13983	20.5
442.14005	1.8
443.36087	0.8
453.13940	5.6
457.14450	0.8
457.20673	12.1
459.14905	4.8
471.14984	13.8
472.15091	1.4
512.08850	0.9
577.28528	8.9
595.29596	4.7
605.18707	57.5
606.18921	7.3
621.18353	1.7
637.18921	4.7
637.28815	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	637.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91685	0.7
55.01863	0.9
57.03437	0.8
58.00596	0.8
59.01379	16.9
61.98831	6.4
66.03737	0.6
71.01376	14.3
72.99306	0.8
73.02935	4.6
75.00871	1.2
83.01372	1.1
85.02946	11.0
87.00868	2.3
89.02425	8.7
89.02872	0.8
95.01394	3.3
98.19919	2.2
99.00867	1.9
99.92573	1.5
101.02428	5.9
105.03459	1.1
109.02950	0.8
113.02441	18.8
116.92856	10.2
117.01949	2.7
117.03448	8.0
119.03490	1.9
119.05015	6.2
123.04517	4.8
132.02170	9.1
133.02954	32.3
134.03761	10.1
135.04514	17.0
136.01672	1.2
137.02431	1.1
143.03494	2.5
145.02945	17.4
146.03322	0.9
149.02454	1.3
149.06081	1.7
150.03214	2.9
151.04001	5.4
153.05556	5.3
160.01648	37.3
161.02429	100.0
162.02751	3.7
163.04012	12.4
164.04523	0.7
175.03983	37.8
176.04370	1.5
178.02687	1.2
179.03482	5.1
193.05013	6.5
204.56343	0.8
205.07152	0.7
247.19611	0.8
349.92044	0.8
373.12982	1.1
426.75641	0.8
443.15350	1.6
457.20377	1.4
459.15021	2.3
461.16574	15.7
462.16589	1.5
475.12650	1.0
475.18561	1.1
517.17224	1.2
517.26422	0.9
535.27631	3.0
577.28693	4.8
605.18652	7.9
637.21295	67.7
638.21625	10.9
651.10400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11336	1.1
54.06715	1.3
54.42283	1.3
55.01870	1.4
55.07622	1.2
57.03448	2.2
59.01376	42.0
61.98833	6.7
71.01380	31.4
71.52358	2.1
72.99317	2.6
73.02934	10.0
75.00852	1.8
83.01384	4.6
85.02940	13.2
87.00874	4.4
89.02441	9.9
93.03468	1.4
95.01385	2.9
97.71330	1.2
99.00903	2.0
99.09600	1.4
101.02437	18.6
103.03994	3.9
109.02934	3.5
112.24492	1.3
113.02451	9.2
117.03456	35.6
118.03801	2.4
119.03510	5.5
119.05021	45.2
121.02979	3.6
122.03680	1.3
123.04512	13.8
125.02449	4.5
127.04032	2.8
132.02205	1.4
133.02931	4.5
133.06599	3.7
134.03632	1.3
135.04478	3.9
139.03958	1.8
143.03520	1.8
145.02946	100.0
145.04976	3.4
146.03293	5.0
147.04477	1.5
149.02419	12.5
149.06123	1.9
150.03212	32.7
151.04016	29.5
159.04489	6.0
161.02458	11.6
161.04587	3.7
161.06070	10.6
163.04004	39.2
163.06047	7.2
177.05508	7.2
179.03484	3.1
179.05719	1.5
187.03993	46.2
188.04378	2.0
189.12871	1.7
190.30789	1.3
191.07179	1.3
195.05161	1.6
205.05034	14.5
214.95941	1.2
217.05072	4.7
219.06517	1.6
235.06076	5.3
307.10214	2.3
329.15945	4.3
347.16968	8.2
389.18158	1.6
411.12988	13.6
441.14011	20.2
442.14618	1.9
453.13992	5.4
454.14075	1.3
457.20682	13.6
459.14917	4.8
471.15088	17.5
472.15405	1.9
527.12048	1.2
577.28699	10.8
595.29877	6.3
605.18665	70.5
606.18958	9.1
621.17859	3.3
637.28076	36.4
638.27356	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	639.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.5
67.16895	0.7
73.02927	1.2
85.02956	1.5
87.00874	0.8
89.02431	2.5
91.27151	0.7
93.79382	0.7
98.19807	1.0
101.02452	1.6
105.03490	0.8
107.79945	0.7
108.02172	1.0
109.02947	4.4
113.02429	2.1
117.03444	1.1
123.04522	8.9
125.02431	0.7
131.03534	1.0
132.02167	2.2
133.02950	39.7
134.03342	1.4
135.04517	29.0
136.04832	1.0
137.02426	1.1
147.04453	0.9
149.02493	1.8
149.06052	1.4
150.03220	5.8
151.04001	15.0
161.02429	100.0
162.02809	4.9
165.05482	0.9
167.03455	0.9
173.39259	0.6
175.04015	2.8
177.01942	1.6
177.05525	2.4
179.03487	24.7
180.03838	0.7
189.05647	0.8
193.05099	0.7
203.03464	6.7
221.04535	1.1
233.04533	1.6
251.05475	1.5
315.10666	0.8
329.09250	0.8
341.08371	0.7
341.46826	0.7
406.52972	0.8
413.10950	1.6
443.15649	1.1
445.13428	1.5
473.13013	6.6
477.14209	13.2
478.14581	0.8
487.14069	1.2
529.15668	0.8
607.16675	28.0
608.17340	3.5
621.18011	4.2
639.19006	44.2
640.19458	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	639.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
62.47459	0.5
71.44051	0.9
73.02951	1.3
85.02941	0.8
87.00873	0.7
88.98806	0.6
89.02454	0.7
93.03433	0.4
95.05010	0.4
101.02438	1.0
103.04007	0.9
105.03452	1.0
107.05046	0.5
109.02927	2.6
111.00862	0.5
117.03453	1.0
122.03730	0.8
123.04523	9.0
132.02118	2.1
133.02946	38.0
134.03743	1.2
135.04515	25.8
136.04788	0.9
149.02470	1.2
149.06052	1.6
150.03195	5.5
151.03996	14.3
161.02426	100.0
162.02744	4.4
163.06119	0.5
171.71529	0.4
174.03255	0.4
175.04034	1.0
177.05556	3.0
179.03484	21.3
180.03810	1.0
189.05537	0.5
193.05016	0.5
203.03456	6.8
221.04567	2.0
225.52176	0.5
233.04393	0.8
251.05846	0.5
252.17888	0.5
253.43365	0.5
275.34998	0.4
281.32584	0.4
397.11810	0.6
427.12302	1.6
459.15067	1.7
469.13846	0.5
477.16089	1.4
487.14618	7.3
529.15540	3.7
621.18207	25.5
622.18689	3.5
639.19226	53.5
640.19659	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	639.1924
Annotation	Suspensaside
Peak:m/z	Relative Intensity
58.88393	0.5
59.01371	3.1
63.71306	0.6
70.76727	1.2
73.02957	0.9
76.99091	0.6
85.02944	0.9
85.72107	0.5
87.00868	1.0
89.02452	0.8
96.89738	0.5
97.02967	0.5
101.02446	1.0
103.04064	0.5
105.03452	0.9
109.02966	3.5
112.43594	0.6
117.03466	0.8
122.03747	0.9
123.04510	7.5
132.02194	1.6
133.02950	37.7
134.03270	0.8
135.04517	26.0
136.04869	1.3
137.02368	0.5
143.03485	0.6
149.02492	0.9
149.06073	1.9
150.03203	5.7
151.04005	17.2
152.04329	0.7
161.02431	100.0
162.02769	3.7
163.06006	0.8
174.21500	0.6
175.03983	1.2
177.02011	0.6
177.05592	2.8
179.03490	20.9
180.03894	0.7
203.03491	7.4
221.04488	2.1
284.74448	0.6
427.12268	1.2
459.15048	1.2
477.14627	1.2
487.14459	5.8
529.15601	3.6
621.18225	24.9
622.18451	3.3
639.19238	52.8
640.19617	7.0
647.13428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2452
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
59.01369	10.6
61.98830	10.7
71.51953	3.0
78.95889	2.9
83.03965	1.8
94.06618	5.8
96.96011	5.4
97.31850	1.7
107.03765	21.0
120.04527	2.5
122.06113	76.0
123.06432	2.0
133.02943	7.4
134.06114	15.9
135.04488	5.8
139.02754	8.4
150.05615	2.1
152.07161	100.0
153.07457	3.8
161.02429	18.0
179.03571	4.6
207.10294	2.9
209.11768	2.5
255.78394	2.1
340.11142	2.1
352.11075	3.3
354.12424	7.2
356.14096	4.1
367.09711	4.1
368.10016	4.0
368.14102	3.6
370.15564	14.1
380.10291	3.5
382.11832	13.2
383.12640	13.0
394.12231	3.1
396.13538	4.1
398.15060	43.2
399.15222	5.7
407.15350	2.7
410.15094	21.0
411.15616	5.0
430.17563	3.9
460.72580	2.2
508.53519	2.3
519.24304	2.1
534.70654	3.4
535.23242	6.9
563.22961	94.6
563.47827	2.1
564.23218	18.4
595.25580	37.4
596.25763	4.5
607.21948	58.1
608.21594	10.1
638.75677	3.2
639.24744	42.0
640.25214	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	639.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98830	16.4
61.99133	1.9
66.86498	0.8
69.14630	9.3
74.36073	0.8
83.05045	1.4
83.41837	1.0
87.38947	0.9
161.02403	1.9
163.11375	1.3
195.13881	3.7
209.11809	64.5
210.12129	3.7
227.12849	6.4
270.83575	0.9
277.21616	4.6
295.22739	48.6
296.23038	4.7
487.34015	2.5
503.63263	1.0
537.95929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40498	0.2
59.01357	0.3
61.98826	100.0
71.15186	0.5
71.15543	0.3
107.86868	0.2
114.89384	0.2
144.38960	0.2
161.02481	0.5
165.78732	0.2
173.64197	0.2
231.23273	0.3
231.25787	0.2
242.24733	0.2
420.96323	0.2
479.58450	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.82926	0.2
61.98826	100.0
69.37667	1.4
71.01379	0.4
78.98592	0.3
79.10324	0.2
79.95739	0.6
80.96514	3.4
94.98080	0.7
95.03211	0.2
106.98132	0.2
108.38723	0.2
111.52006	0.2
120.81966	0.2
122.97519	0.2
125.02440	0.3
135.46466	0.2
148.99161	0.5
152.98665	0.2
164.98651	0.6
225.00775	1.3
227.73376	0.2
281.95352	0.2
343.56589	0.2
512.19781	0.2
555.28339	6.6
556.28802	1.1
640.26251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22864	0.7
59.01372	10.0
60.02043	0.7
61.98838	2.1
71.01383	0.8
80.05048	6.8
80.05447	0.7
94.06641	2.8
96.15556	0.8
98.20662	1.9
101.37094	0.7
104.05100	2.6
106.06664	3.0
107.03767	5.9
120.04558	1.4
120.08181	3.4
121.05340	2.9
122.06116	39.3
123.06494	0.8
124.07690	1.1
130.06688	1.2
131.39594	0.6
132.04599	2.7
134.06119	12.6
139.02748	1.4
148.04102	1.8
150.05562	1.0
152.07159	47.2
153.07532	1.9
160.04056	2.8
160.06419	6.4
161.02425	1.1
161.04764	1.0
174.05559	4.9
186.05592	0.7
190.05093	3.5
211.08727	0.9
211.13197	0.7
213.10297	33.0
214.10716	1.4
221.07356	0.8
223.08762	2.6
224.09595	0.7
225.10376	3.0
226.11104	3.6
227.11981	1.4
235.08624	0.9
236.23619	0.7
237.10310	2.0
239.11867	17.4
240.12254	1.6
241.13443	19.6
242.13715	2.1
245.12970	9.7
249.06584	1.7
251.11720	3.4
263.08188	1.0
265.09814	2.6
265.13089	0.9
267.11441	1.7
278.10492	0.8
285.12421	67.1
286.12750	4.1
291.11142	1.0
293.09750	1.4
293.12997	8.9
295.10843	7.2
296.11359	1.0
313.11850	4.4
314.12637	1.2
316.14572	1.8
323.10373	11.6
324.10794	1.4
325.11774	4.0
328.10699	4.4
329.11389	1.1
330.12357	1.0
332.17755	1.8
339.09882	1.6
339.13583	1.1
340.10837	1.2
340.14597	1.9
341.11600	1.0
342.12378	2.7
343.13162	4.2
344.13962	3.2
355.12891	7.3
356.13831	2.3
356.17700	1.8
357.14737	4.8
358.15576	22.0
359.15952	2.5
360.79578	0.8
368.10458	1.2
369.14468	1.8
370.12057	2.9
372.17227	1.6
374.99768	0.8
382.15881	1.2
384.13309	5.3
385.14200	2.4
398.14944	1.2
399.15662	1.1
400.16632	16.8
400.21884	1.1
401.17035	2.5
412.16595	5.7
444.15231	0.9
497.25607	3.2
509.21585	1.4
523.23450	11.7
524.23792	2.8
536.20782	1.0
537.25012	1.6
565.24469	82.1
566.24823	14.0
568.23090	3.1
581.24200	1.7
591.22363	1.0
597.26685	0.9
606.38690	1.3
609.23444	100.0
610.23816	18.9
641.26068	27.6
642.26642	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	642.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30180	0.2
59.01376	0.6
61.12164	0.2
61.98828	100.0
69.70737	0.6
69.71133	0.3
71.01405	0.3
83.75579	0.2
88.98813	0.4
90.76575	0.2
98.20669	0.2
108.02168	0.4
113.02478	0.4
119.05142	0.2
133.02982	0.6
135.04518	0.5
145.02931	0.4
152.01172	0.4
157.21481	0.2
157.47604	0.2
161.02434	3.5
179.03468	0.2
279.82272	0.2
354.70041	0.2
592.04895	0.2
607.20361	2.4
643.23486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
64.41621	0.4
71.92101	0.4
72.59052	0.4
78.95892	0.6
98.20665	1.0
102.48870	0.3
120.16867	0.3
189.38826	0.4
196.52106	0.4
431.63455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.98825	100.0
62.98526	0.3
64.14984	0.1
69.35011	1.2
93.37511	0.1
105.00459	0.1
146.84737	0.1
157.03171	0.1
188.03024	0.2
269.85309	0.1
323.19873	0.1
368.37369	0.2
481.29999	0.2
605.38171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	1.5
62.30659	0.9
63.08177	0.8
63.56549	0.8
69.36472	0.7
69.38451	4.5
69.38861	1.7
69.99013	0.8
95.57162	0.8
108.51048	0.9
116.92887	0.8
120.20296	0.9
125.09737	0.9
200.10150	0.8
208.12169	0.8
258.53159	0.8
263.90866	0.8
452.11276	1.4
467.13071	1.2
474.53607	0.8
481.11285	1.7
481.18546	1.0
495.12921	1.2
495.16669	1.0
496.13358	5.9
497.14243	2.8
507.16766	1.3
508.17319	2.6
510.15323	6.2
511.16034	12.6
512.15631	1.1
513.17932	1.1
523.19617	2.5
525.17761	1.0
538.15131	5.4
539.14618	1.5
542.14404	1.1
544.18866	3.7
549.17371	0.9
567.19025	1.8
570.17358	2.0
571.02271	0.9
571.17883	1.5
583.18402	1.7
643.20465	100.0
644.20630	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	643.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25595	0.5
61.98827	1.4
72.49271	0.4
73.02946	0.9
86.36319	0.5
169.96165	0.4
208.05309	0.4
211.14914	0.4
300.37704	0.4
441.15558	0.7
451.14511	0.7
452.10974	1.3
453.11560	0.9
454.12329	0.6
455.17151	1.1
456.17725	0.5
459.17065	1.1
464.14719	0.8
465.15433	1.0
467.13376	1.1
468.13309	0.5
473.18286	1.1
479.17307	0.8
481.11551	2.4
481.18631	1.7
482.11804	0.7
493.14417	0.7
495.16553	1.9
496.13077	4.3
497.14056	2.6
498.15298	0.5
507.16684	2.0
508.17471	4.3
510.15347	4.9
511.15930	10.2
512.15918	2.4
513.17639	1.5
523.20227	3.6
528.16571	0.9
538.14661	3.5
539.15717	1.5
540.16925	1.1
542.14740	0.5
544.16577	3.7
545.18811	0.7
549.17688	0.7
553.17407	1.6
567.18494	0.8
569.16510	0.7
570.17395	2.2
571.18170	4.9
572.18591	1.5
583.18323	2.1
584.19324	1.1
602.16650	0.7
616.17798	0.6
643.20404	100.0
644.20673	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	643.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.2
61.98829	0.8
65.03968	3.7
67.01882	0.8
69.11250	0.6
71.01379	5.8
71.51698	0.8
72.99312	0.8
73.02946	1.0
74.72378	0.6
78.50106	0.6
85.02955	1.6
86.49444	0.5
87.00882	1.2
89.02446	5.0
93.03451	2.0
95.01429	0.5
96.96029	0.8
99.00883	0.7
101.02451	3.7
108.02184	0.5
111.04501	0.6
113.02460	2.7
117.03461	17.3
117.04295	0.9
119.03534	1.5
119.05022	17.3
121.02945	0.8
121.06579	1.4
123.04469	0.8
125.02372	0.6
133.02930	3.1
133.06601	1.8
135.04523	1.8
137.02525	0.7
139.03999	5.3
145.02948	81.7
146.03297	3.4
147.04582	0.6
149.68306	0.6
151.06143	2.0
159.02881	0.6
161.02426	13.6
161.04735	0.9
161.06064	5.5
162.02739	1.6
163.04008	32.2
164.04282	1.2
165.05542	2.3
175.03818	0.5
177.05542	3.8
179.03520	0.9
179.05722	0.6
183.06587	5.4
187.03938	0.5
191.05605	8.6
201.11288	2.3
205.05055	6.6
209.11803	2.3
228.75027	0.5
235.06108	2.0
235.11771	0.7
265.07150	4.4
277.35461	0.5
307.08301	0.8
325.09146	1.1
337.09354	2.6
350.45789	0.7
397.13406	1.4
415.14474	1.2
459.15054	100.0
460.15359	8.6
481.17111	8.5
620.13696	0.6
625.19836	0.9
643.22076	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	643.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.2
61.98829	0.8
65.03968	3.7
67.01882	0.8
69.11250	0.6
71.01379	5.8
71.51698	0.8
72.99312	0.8
73.02946	1.0
74.72378	0.6
78.50106	0.6
85.02955	1.6
86.49444	0.5
87.00882	1.2
89.02446	5.0
93.03451	2.0
95.01429	0.5
96.96029	0.8
99.00883	0.7
101.02451	3.7
108.02184	0.5
111.04501	0.6
113.02460	2.7
117.03461	17.3
117.04295	0.9
119.03534	1.5
119.05022	17.3
121.02945	0.8
121.06579	1.4
123.04469	0.8
125.02372	0.6
133.02930	3.1
133.06601	1.8
135.04523	1.8
137.02525	0.7
139.03999	5.3
145.02948	81.7
146.03297	3.4
147.04582	0.6
149.68306	0.6
151.06143	2.0
159.02881	0.6
161.02426	13.6
161.04735	0.9
161.06064	5.5
162.02739	1.6
163.04008	32.2
164.04282	1.2
165.05542	2.3
175.03818	0.5
177.05542	3.8
179.03520	0.9
179.05722	0.6
183.06587	5.4
187.03938	0.5
191.05605	8.6
201.11288	2.3
205.05055	6.6
209.11803	2.3
228.75027	0.5
235.06108	2.0
235.11771	0.7
265.07150	4.4
277.35461	0.5
307.08301	0.8
325.09146	1.1
337.09354	2.6
350.45789	0.7
397.13406	1.4
415.14474	1.2
459.15054	100.0
460.15359	8.6
481.17111	8.5
620.13696	0.6
625.19836	0.9
643.22076	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	643.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94072	0.3
58.90971	0.3
59.01373	2.2
61.98820	0.4
65.03957	3.3
71.01378	1.9
72.99268	0.4
73.02934	0.9
77.07687	0.2
83.01354	0.4
85.02943	0.8
89.02435	1.2
92.07019	0.3
93.03408	0.5
95.01371	0.4
100.90507	0.3
101.02438	1.5
105.03436	0.3
108.02145	0.3
109.06552	0.3
111.04520	0.4
113.02477	0.8
117.03442	1.1
119.03539	0.3
119.05027	0.4
121.02888	0.3
121.06594	1.9
123.04484	0.8
132.02164	1.5
133.02954	21.7
134.03665	1.1
135.03500	0.6
135.04523	9.1
136.04814	0.5
137.02457	1.8
138.02737	0.6
139.03992	4.7
150.03247	0.4
151.04051	0.3
157.08644	0.7
160.01605	0.3
161.02432	100.0
162.02766	3.9
165.05542	1.3
177.05568	0.7
179.01918	0.3
179.03490	6.6
183.06604	8.3
205.07233	0.3
215.09233	2.8
270.93823	0.3
298.58902	0.3
451.55609	0.3
481.17087	67.8
482.17419	7.3
517.94629	0.3
613.20422	0.7
625.20361	1.0
643.22314	15.4
644.22534	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21182	0.4
59.01376	4.0
61.98820	0.8
71.01382	2.8
71.51987	0.6
72.99306	0.5
73.02949	0.9
75.00854	1.1
85.02962	1.0
87.00835	0.6
89.02444	1.2
93.03458	0.5
99.00888	0.4
101.02422	2.1
108.02190	0.5
110.03200	0.4
111.54131	0.4
113.02431	1.1
115.54724	0.4
117.03477	1.3
119.03465	0.7
132.02127	0.9
133.02943	22.7
134.03680	0.7
135.04510	9.0
137.02489	0.4
139.03931	0.5
145.02893	0.4
157.08644	0.5
160.01584	0.5
161.02426	100.0
162.02760	4.2
163.02934	0.4
165.03993	0.8
179.03487	6.9
191.05521	0.5
396.20322	0.5
463.25427	0.9
477.13995	0.8
481.17093	70.0
482.17502	7.6
603.42200	0.5
609.79877	0.5
643.22327	19.4
644.22552	2.8
658.05157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11833	1.0
55.01869	1.2
58.00594	1.4
59.01378	12.2
61.98826	8.1
65.03959	55.7
68.99818	4.8
69.03448	10.0
71.01384	13.7
73.02924	3.4
83.01382	2.6
85.02943	5.8
85.06572	1.8
87.00869	1.6
89.02442	4.4
91.05543	1.3
93.03457	9.4
95.01315	1.3
95.05012	5.2
96.96003	1.2
97.02923	1.2
99.00867	5.2
101.02435	10.7
103.05524	3.6
104.14180	1.2
105.87093	1.1
106.04211	3.1
107.04971	1.5
109.06596	1.7
113.02451	7.8
119.03530	1.3
119.04996	7.3
121.06584	31.2
137.06107	1.9
139.04004	100.0
139.07616	2.3
140.04314	3.7
141.12842	1.7
143.10783	5.8
145.02925	2.4
147.04475	2.0
161.04597	3.0
163.04033	1.6
165.05562	35.7
183.06618	31.2
184.06902	1.8
185.11789	3.9
197.11812	12.5
209.04535	60.5
209.11842	8.9
210.04851	2.7
227.05605	3.9
227.12872	3.8
251.20093	2.7
271.19122	50.6
272.19427	3.0
285.20676	2.1
295.19119	11.0
301.12854	1.2
313.20209	2.1
327.11011	3.2
345.11871	7.5
371.09967	1.8
389.10925	3.3
489.87042	1.4
599.30640	29.9
600.31152	6.8
606.38861	1.4
607.38708	3.2
643.29578	93.0
644.29541	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	645.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03430	0.5
59.01379	4.9
62.28683	0.3
63.76369	0.3
69.27399	1.2
69.27818	1.6
71.01376	7.6
73.02947	2.8
81.03461	1.2
83.01389	1.6
85.02946	4.6
86.00103	0.5
87.00909	0.5
89.02460	1.0
93.03448	0.6
95.01384	1.9
99.00886	1.3
101.02442	5.9
108.02169	48.6
109.02954	27.9
110.03292	0.7
113.02434	3.2
119.03504	0.4
121.02901	0.4
123.00874	1.2
123.04533	0.5
125.02446	0.5
135.04494	0.5
142.09129	0.3
151.04015	1.1
152.01141	53.9
153.01932	16.8
154.02232	0.7
159.03055	0.5
161.04599	0.8
163.04008	1.2
165.01900	0.6
181.57774	0.3
185.11742	0.6
315.07288	1.0
315.10614	0.4
318.51968	0.4
347.17065	5.4
348.17514	0.6
349.36359	0.4
396.76013	0.4
645.23938	100.0
646.24268	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	645.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79716	1.1
58.00577	1.3
59.01382	12.5
61.98821	7.0
65.03959	56.4
68.99815	3.3
69.03448	13.3
71.01380	17.0
72.99315	2.0
73.02946	3.8
78.33381	1.3
81.03472	1.4
83.01387	2.5
85.02957	6.7
87.00870	2.2
88.98811	6.8
89.02442	5.1
92.20255	1.6
93.03463	10.4
95.01321	1.6
95.05003	6.8
96.95989	4.0
98.20748	2.1
98.95563	2.3
99.00862	3.8
101.02432	9.7
103.05505	2.0
105.01921	12.7
106.04237	3.3
107.05001	4.8
111.00800	1.2
113.02438	5.9
119.03503	2.2
119.05009	8.4
121.06579	31.9
122.06886	1.9
135.04491	1.5
138.58418	1.4
139.04005	79.7
139.07613	1.8
139.11217	1.6
140.04305	2.5
141.12831	2.3
143.03517	1.2
161.02342	1.6
161.04575	2.5
163.07576	1.7
165.04169	2.4
165.05557	40.4
166.05852	1.8
169.51895	1.5
171.13892	3.3
172.42186	1.3
183.06607	31.7
185.11809	34.8
185.13458	2.2
187.13329	4.6
199.13335	7.9
209.04527	36.7
210.04836	2.3
212.87436	1.3
227.05600	2.5
227.12820	4.7
229.52824	1.4
301.13007	1.3
327.10703	3.9
345.11938	14.2
349.18655	10.8
377.46313	1.4
389.10938	6.9
495.22171	2.0
513.23346	35.0
514.23346	2.3
539.21069	6.7
540.21448	1.6
557.22327	100.0
558.22485	13.0
559.26941	2.1
645.23907	83.2
646.24384	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	645.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03446	3.1
58.00581	1.8
59.01378	35.0
61.98825	0.8
68.48193	0.4
69.03448	1.4
69.39491	3.2
71.01377	37.2
72.99302	1.7
73.02940	9.9
75.00854	1.3
83.01384	6.4
84.02183	0.4
84.49812	0.4
85.02947	17.0
86.00074	1.3
87.00876	2.7
89.02438	19.0
91.05527	0.6
95.01360	3.6
97.02937	1.8
97.39504	0.4
99.00866	3.9
101.02438	30.0
102.02749	0.7
102.11684	0.4
107.05008	1.6
108.02173	13.5
109.03004	0.9
109.11307	0.4
111.00858	1.4
112.01674	0.7
113.02448	14.1
116.02798	0.4
119.03499	10.4
122.03748	0.6
122.54618	0.4
123.04553	1.9
125.02431	1.0
129.01891	0.4
131.03503	0.4
133.02933	0.6
133.41078	0.4
134.03764	2.9
135.04529	13.9
143.03517	4.3
149.04538	0.7
150.03214	0.7
153.05557	2.9
159.02962	1.0
161.02463	0.9
161.04549	3.7
165.05548	0.9
179.05598	5.0
185.11787	2.5
194.22333	0.4
209.11714	1.3
211.13315	0.5
227.12941	0.6
229.31641	0.5
239.13011	0.5
285.17050	1.6
303.18146	0.8
315.10831	31.0
316.11084	1.7
329.16037	34.0
330.16272	2.6
347.17072	100.0
348.17413	7.9
354.41849	0.4
361.18509	2.4
371.16974	0.7
389.18127	19.3
390.18436	2.1
395.20456	0.4
401.12405	1.0
431.19458	0.6
449.20053	0.9
568.23859	0.4
597.20380	0.6
645.27625	16.6
646.28156	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	647.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.4
61.98825	0.7
68.99568	100.0
69.03456	0.5
71.01377	0.9
77.97928	0.3
85.02930	0.5
89.02451	0.9
98.20723	1.0
101.02437	0.6
104.79658	0.3
112.98561	98.4
113.02438	1.8
113.98869	0.9
114.05676	0.3
119.03455	0.4
230.23892	0.4
270.33990	0.4
379.44360	0.3
414.25632	0.3
543.28052	1.1
561.29150	0.7
588.73969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
69.03466	0.4
69.20641	0.4
69.21057	1.7
71.01384	0.8
73.02924	0.3
81.03458	0.3
81.81474	0.3
83.01409	0.3
85.02942	5.2
87.00851	1.4
89.02462	0.8
93.03454	2.3
96.95986	0.3
99.04534	0.4
101.02448	0.5
109.02931	0.5
111.00844	0.3
111.04535	0.9
113.02444	0.4
114.53471	0.2
126.68060	0.2
126.69106	0.2
127.04021	1.7
131.07137	0.9
133.02974	0.6
135.04526	1.3
137.02507	0.3
161.02464	1.7
171.02985	0.3
173.04547	0.7
179.03548	0.7
179.05635	0.3
191.05606	100.0
192.05946	3.8
207.98549	0.2
224.79759	0.2
249.07210	0.3
250.71571	0.2
293.09521	0.3
293.12491	2.8
353.08722	17.2
354.09189	1.3
539.41840	0.2
647.16638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57002	0.7
53.04932	0.7
54.92382	0.7
55.01872	4.8
57.03453	5.2
58.00594	1.9
59.01379	100.0
60.01696	1.2
61.98832	13.7
69.03453	2.8
69.19071	0.8
69.47647	5.0
71.01379	67.5
72.01701	0.7
72.99291	2.8
73.02561	1.3
73.02949	20.0
75.00849	2.0
81.03455	1.3
83.01384	14.7
85.02950	32.4
87.00867	4.9
89.02444	28.5
93.03442	1.0
95.01389	6.9
97.02950	2.6
99.00902	7.4
101.02443	60.0
111.00861	1.2
112.98764	1.1
113.02448	38.2
117.03464	1.8
119.03505	12.1
121.02959	1.9
122.06115	0.8
125.02428	4.9
129.01889	0.9
131.03537	0.9
133.02919	3.3
135.04494	3.4
143.03516	5.1
145.02971	5.6
149.04529	0.8
155.03404	1.0
159.02975	2.6
161.02477	9.2
161.04541	22.5
179.03499	3.2
179.05609	6.3
182.50012	0.7
203.05577	1.9
209.11848	2.2
221.08327	0.9
356.12500	1.5
357.13672	1.1
371.15021	5.4
381.22485	1.2
399.23718	9.3
415.15240	0.9
416.15823	1.3
441.24881	12.6
442.25021	1.2
542.20221	1.4
542.69666	1.3
543.27917	7.6
543.35114	1.5
561.29108	99.9
562.29468	13.9
571.25824	1.0
603.30084	51.1
604.30469	7.5
638.26074	1.4
647.26294	4.5
647.36298	2.5
648.27545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
58.22425	0.4
58.67668	0.4
59.01369	1.4
61.98822	0.9
65.03959	38.9
66.04289	1.4
69.03456	1.0
69.18482	4.3
71.01376	1.1
73.02944	0.4
81.03517	0.5
85.02946	0.5
89.02464	0.6
93.03438	3.3
95.05015	2.7
99.00906	0.6
101.02412	1.2
103.05526	0.5
111.00864	0.5
119.05011	2.6
121.06587	12.9
122.06880	0.4
135.04466	0.5
139.04001	47.9
140.04303	0.9
161.02423	0.7
161.58012	0.4
165.05548	14.7
179.03455	0.5
183.06607	100.0
184.06943	3.4
207.41788	0.4
216.43414	0.5
224.42035	0.4
300.02689	0.4
341.14853	0.6
431.54330	0.4
461.69681	0.5
463.21719	2.5
581.35052	0.5
609.13965	0.6
647.21991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83699	1.0
55.01879	2.4
57.03442	1.7
58.00594	2.6
59.01376	86.7
61.98828	100.0
68.99566	21.5
69.03461	2.0
69.56673	7.1
71.01377	51.5
72.01707	1.2
72.70173	0.9
72.99306	3.1
73.02934	12.3
75.00881	1.6
77.88551	1.2
83.01382	9.0
85.02941	24.4
87.00875	2.2
89.02438	32.7
95.01372	5.2
96.96009	1.3
97.71034	1.0
99.00881	4.5
101.02435	27.4
111.00888	2.3
112.01660	1.2
112.98557	24.9
113.02441	34.9
114.02805	1.7
119.03484	14.6
119.04867	1.1
125.02424	3.0
129.01952	1.3
131.03484	2.5
135.04527	2.1
143.03505	6.3
149.04483	2.0
161.04526	10.5
179.05597	6.1
191.05583	1.2
204.13617	1.0
213.04149	1.0
247.45708	1.0
318.19446	1.2
371.15082	1.8
399.23840	3.7
543.28052	68.9
544.28290	10.8
561.29095	49.5
562.29572	7.5
567.25012	1.2
603.30280	10.3
604.29913	1.6
647.38055	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05892	1.3
59.01379	12.7
65.03958	52.9
66.04279	1.7
69.03450	4.4
71.01381	11.4
72.99323	2.5
73.02939	3.6
78.95923	1.8
79.95739	1.6
83.01377	2.0
85.02946	5.0
87.00846	1.5
89.02439	9.6
93.03467	5.5
95.05033	5.1
96.96002	51.9
99.00879	3.4
101.01832	1.7
101.02405	8.2
103.56145	1.6
113.02429	3.6
119.03501	4.0
119.04982	8.7
121.06594	26.6
128.03505	1.3
129.62022	1.4
135.04495	1.5
139.04001	67.2
140.04358	2.6
149.00922	2.9
153.05542	4.1
161.04480	2.1
163.03984	6.0
165.05553	28.2
166.05904	2.6
168.23315	1.4
175.06145	1.6
176.57233	1.2
179.05606	2.8
183.06606	88.8
184.07031	2.9
191.05597	5.2
209.04553	5.9
227.05687	2.7
237.61078	1.4
253.08617	2.1
323.13324	1.4
333.11801	3.3
337.09204	1.8
345.11908	15.3
389.10855	100.0
390.11249	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	649.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
59.01378	3.3
61.98822	0.9
68.99557	1.3
69.03437	0.4
69.35030	2.3
69.35436	0.8
71.01376	75.0
72.01713	1.3
72.99304	16.0
73.02948	0.7
83.01382	42.4
84.01717	0.9
85.02950	1.1
88.98796	2.2
89.02426	1.2
93.03455	0.6
96.99313	0.5
98.19903	0.5
99.00900	0.3
101.02438	1.3
112.98556	1.6
113.02399	0.9
115.00356	14.2
115.03962	1.0
121.02080	0.6
121.02937	8.4
121.03770	0.6
122.03762	0.4
123.00891	1.4
123.27222	0.3
136.05290	12.9
138.03214	1.0
139.03987	0.6
140.26637	0.4
147.04561	0.5
161.04529	0.8
168.04240	3.4
204.04240	1.0
219.06483	0.5
235.09743	1.7
259.04626	1.1
327.15811	0.5
356.12607	5.0
357.12985	0.5
371.14951	100.0
372.15289	10.0
469.24429	3.4
551.08356	0.5
631.20282	3.9
632.20990	0.6
649.20984	2.1
649.30865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	1.8
59.01376	45.0
65.03961	10.7
69.03454	2.3
71.01379	28.4
71.50919	0.8
72.99285	2.7
73.02933	1.7
78.56973	0.7
78.95881	2.8
79.95716	1.2
83.01396	1.9
85.02943	6.9
87.00860	2.8
89.02443	26.8
91.03622	0.9
93.03474	1.2
95.01394	1.8
96.96007	46.4
96.96938	1.8
101.02435	18.7
107.05003	1.0
108.02183	1.7
109.06554	1.6
113.02443	12.5
119.03500	12.6
119.04993	1.5
121.06576	3.9
129.64699	0.9
131.03523	0.8
135.04495	3.6
139.04005	13.2
141.01855	1.2
143.03485	1.0
146.28275	0.8
149.02455	0.8
153.05505	1.1
161.04547	2.0
161.05991	1.3
163.03972	1.0
165.05560	5.5
175.07578	0.8
179.03462	1.5
179.05641	4.5
183.04977	1.1
183.06599	19.4
191.05641	3.9
201.05548	1.1
209.04526	1.3
215.10637	1.1
245.11725	1.5
263.12842	2.3
271.09726	3.0
345.11877	3.5
389.10812	14.6
390.11096	1.4
425.18213	1.6
444.48700	0.8
451.15921	2.5
469.17169	21.9
470.17261	2.3
507.87659	0.9
649.23425	100.0
650.23621	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	649.234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.2
59.01377	50.0
65.10735	0.8
71.01376	34.2
71.50985	1.1
72.01710	0.7
72.45187	0.8
72.99306	2.9
73.02934	1.7
83.01379	1.6
85.02952	6.0
87.00874	2.1
89.02441	41.4
95.01378	3.1
99.72680	0.8
101.02441	18.9
107.05033	2.3
108.02142	1.1
109.06586	7.4
111.04469	0.9
113.02438	13.5
114.46765	0.7
118.95975	0.8
119.03493	15.3
121.06476	0.8
122.03738	11.8
123.04547	0.9
131.03477	2.1
139.04027	1.2
143.03490	3.2
149.04460	1.3
153.05569	49.0
154.05914	1.2
161.04570	4.6
165.05492	1.0
179.05591	15.1
183.06580	1.2
191.05640	1.0
261.55032	0.8
289.12881	1.3
329.08731	5.6
330.08606	0.8
333.11877	100.0
334.12131	7.5
424.43143	0.8
526.23907	0.8
537.50085	0.8
553.61884	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.6
57.03448	3.6
58.00589	1.6
59.01379	32.3
60.01715	0.4
61.98827	0.4
69.03442	1.3
71.01378	44.8
72.01720	0.6
72.61172	0.2
72.71394	0.3
72.99313	2.0
73.02943	15.1
74.03293	0.4
75.00874	1.3
81.03458	0.4
83.01382	8.8
85.02946	23.5
86.00087	1.4
86.03271	0.3
87.00877	2.4
89.02442	15.9
95.01379	3.5
97.02961	1.2
99.00875	5.5
101.02438	41.8
102.02787	0.4
103.38251	0.3
107.89314	0.3
109.06586	1.1
111.00863	1.0
111.04492	1.8
113.02445	20.3
114.02771	0.5
118.98205	0.3
119.03493	5.6
125.02444	1.4
129.01938	0.8
131.03481	0.6
133.02895	0.3
135.04495	0.3
137.17488	0.3
139.07620	1.1
143.03505	3.0
149.04568	0.6
157.08688	12.4
158.09045	0.8
159.02977	3.5
161.04546	25.1
162.04883	0.4
179.05614	2.7
183.10254	0.3
185.11812	2.3
191.05615	0.4
200.70573	0.3
205.03465	0.5
211.13405	0.4
241.39185	0.3
241.94417	0.3
303.18088	0.6
308.52319	0.3
319.13950	93.0
320.14316	6.8
329.16068	6.9
330.16241	0.6
347.17068	100.0
348.17386	6.9
649.30786	8.1
650.31244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4108
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
52.78115	0.6
59.01379	9.6
61.98825	4.8
68.32726	0.8
70.66225	1.3
71.01375	9.3
72.43198	0.6
85.02943	0.9
89.02439	13.0
101.02425	5.3
104.92773	1.5
109.33326	0.6
113.02451	2.8
119.03484	3.1
131.03462	1.3
133.02878	0.9
135.04480	0.7
143.03485	0.8
146.07762	0.6
149.04485	1.2
151.63779	0.6
161.02420	0.8
161.04538	2.0
177.04140	0.7
179.05611	9.4
189.06665	0.7
278.52820	0.8
398.95538	0.9
471.34750	100.0
472.35132	14.5
497.32611	1.0
578.17963	0.8
633.38593	1.1
651.26050	1.1
651.39728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.6
59.01376	9.5
61.98827	12.6
69.99286	2.2
71.01376	10.1
72.99302	0.7
81.38897	0.6
85.02930	0.7
86.57219	0.5
89.02441	15.9
98.20598	0.6
101.02431	6.0
104.92825	1.5
113.02468	3.0
119.03493	3.3
131.03479	1.6
133.03018	0.7
138.54991	0.5
143.03487	1.9
144.11028	0.5
149.04543	0.5
161.02379	1.4
161.04591	2.0
179.03496	0.5
179.03813	0.6
179.05602	11.4
249.16849	0.6
295.31360	0.5
385.07510	0.7
430.50391	0.6
469.45065	0.5
471.34747	100.0
472.28287	0.7
472.35059	14.6
651.26056	1.0
651.41864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4108
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
53.34047	0.5
59.01376	11.8
61.98819	1.4
64.16447	0.5
70.58195	1.2
71.01377	14.8
72.99300	0.7
74.57411	0.5
83.01399	1.1
85.02947	1.5
85.20771	0.4
85.36674	0.4
87.00864	1.0
89.02437	22.0
95.01365	0.7
101.02435	7.7
104.92792	0.7
113.02444	4.3
119.03477	4.2
131.03505	1.5
143.03488	1.7
149.04501	1.4
161.04530	3.1
179.05592	12.9
197.83006	0.6
327.53427	0.5
471.34753	100.0
472.35077	13.5
514.26453	0.5
540.41901	0.5
603.24023	0.5
651.25330	0.7
651.40991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36613	0.4
59.01375	2.0
63.96940	0.3
66.41772	0.4
69.29500	2.7
69.29900	1.0
70.05510	0.4
71.01383	3.6
73.02934	0.8
81.03414	0.4
85.02939	4.4
95.01392	1.6
95.05030	0.4
98.20691	0.8
101.02453	0.6
105.03465	1.5
107.05028	0.5
109.02966	0.6
113.02450	7.9
114.72084	0.4
115.01869	0.4
117.03447	1.1
121.02980	0.6
122.03745	1.3
123.04520	9.7
132.02158	2.3
133.02950	38.2
134.03810	1.9
135.04521	39.8
136.04832	2.0
137.02449	0.5
137.61137	0.4
149.02473	0.9
150.03209	7.2
151.04005	17.7
152.04340	0.7
161.02434	100.0
162.02768	4.6
177.05533	0.6
179.03487	55.6
180.03824	2.2
193.05005	0.6
203.03508	1.0
221.04485	0.4
233.04449	0.6
251.05739	0.5
325.09308	0.4
459.14902	4.5
469.13553	0.6
487.14548	5.1
553.42590	0.4
621.18195	45.8
622.18481	7.7
653.20856	19.8
654.20935	3.6
666.60614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00509	0.6
54.44033	0.6
58.91661	0.6
59.01374	2.9
59.47544	0.5
70.76406	1.0
70.76730	1.2
71.01384	1.3
73.02937	1.1
75.39861	0.6
84.14507	0.6
85.02920	1.1
87.00885	0.8
89.02467	1.4
89.79829	0.6
101.02418	1.2
101.05135	0.7
101.06626	0.7
107.05006	0.8
108.02191	1.0
109.02953	2.8
115.01931	0.7
117.03516	0.8
119.50363	0.6
121.02983	1.0
122.03697	1.1
123.04521	8.1
132.02144	3.0
133.02946	44.1
134.03630	2.5
135.04517	32.7
137.02429	1.5
147.04449	1.1
148.05284	1.1
149.06064	2.9
150.03203	7.7
151.03999	11.5
161.02429	100.0
162.02803	3.2
175.04010	2.6
177.05537	3.9
179.03487	23.9
203.03481	10.6
221.04501	2.2
312.74164	0.9
360.35889	0.6
371.08362	0.7
393.91129	0.7
427.12381	2.8
441.13879	0.7
459.14966	1.4
469.13443	1.3
487.14615	15.7
488.14847	1.6
621.18176	57.0
622.18420	7.3
643.92554	0.7
653.20819	33.9
654.21533	5.5
655.98987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
61.98823	0.4
70.77608	0.2
71.01382	2.0
73.02952	1.2
75.06574	0.2
77.03982	0.2
83.01395	0.3
84.02165	0.2
85.02955	0.8
87.00871	0.8
89.02454	0.9
93.03463	0.5
95.01401	0.3
97.02941	0.4
99.04510	2.8
101.02430	1.8
103.03986	0.5
105.03461	0.5
107.05051	0.6
109.02934	2.2
111.00875	0.8
113.02468	0.7
115.01923	0.3
117.03456	1.1
119.03478	0.2
121.02932	0.5
122.03728	0.6
123.04520	7.5
125.02472	0.4
132.02158	2.6
133.02950	38.3
134.03667	2.2
135.04515	33.0
136.04823	1.4
137.02431	0.8
139.04007	0.4
143.03494	1.6
145.02933	0.6
147.04518	0.7
148.05267	0.6
149.02466	1.2
149.06058	2.5
150.03217	6.5
151.03996	15.0
152.04346	0.4
159.04442	0.4
160.01585	0.5
161.02429	100.0
162.02754	4.0
163.04016	0.3
163.06088	0.4
173.06033	0.3
173.83784	0.3
175.03996	2.7
177.05574	4.7
178.02605	0.3
178.58305	0.2
179.03482	26.1
180.03830	1.4
189.05548	0.7
193.04968	0.5
201.05544	0.3
203.03481	9.7
204.03909	0.5
205.05081	0.3
205.07210	0.3
207.06717	0.4
221.04582	2.9
233.04504	1.5
251.05556	1.2
323.07565	0.4
347.17010	0.7
349.01080	0.2
389.17987	0.4
397.11569	0.4
427.12418	2.7
441.13843	0.6
459.15140	1.3
469.13110	0.9
487.14563	9.4
488.14798	1.6
606.38916	0.2
621.18164	46.2
622.18475	7.0
622.27185	0.2
653.20734	25.3
654.21088	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	653.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99844	0.4
55.01875	3.3
57.03460	0.8
59.01076	0.6
59.01371	10.1
61.98821	8.2
65.03960	0.6
68.99815	1.8
69.03446	0.5
71.01374	14.0
71.53812	0.8
72.99313	0.9
73.02939	4.8
75.00898	0.5
82.29524	0.5
83.01379	79.1
84.01704	1.2
85.02943	6.4
87.00866	2.4
89.02444	2.7
93.03452	61.9
94.03783	1.7
95.01379	2.3
96.99291	2.0
97.02938	0.8
99.00879	1.5
101.02438	11.9
103.04002	0.8
107.05016	1.0
108.02184	2.8
113.02428	7.6
115.03998	0.9
117.03513	0.5
119.03464	0.8
119.04996	0.9
121.02941	27.3
122.03766	4.1
123.00874	3.5
123.04479	1.3
124.01638	0.6
125.02379	1.1
131.03520	0.9
133.02937	3.7
134.03693	1.3
135.04517	3.8
136.01654	4.0
136.05289	23.3
137.02431	89.0
137.06046	1.5
138.02690	2.6
143.03497	1.6
147.04514	3.2
149.02415	0.7
149.06090	0.6
151.03978	3.2
159.04523	0.9
160.05289	0.8
161.02435	9.1
161.04538	1.2
161.06026	0.7
163.06117	3.0
168.04257	7.0
174.03166	1.0
175.07587	0.7
176.54410	0.5
177.05499	0.6
178.02734	0.5
179.03471	4.5
187.04086	0.6
187.07661	1.3
191.03499	1.6
195.06621	0.6
201.05556	3.8
201.09137	1.2
202.06288	0.8
203.03499	0.6
203.07118	0.9
204.04182	1.5
205.07162	1.5
209.08243	0.7
219.06607	0.8
221.04524	1.7
221.08228	0.7
229.08662	2.8
230.09425	7.6
231.09918	0.6
235.09729	2.0
277.08597	0.9
281.06625	92.0
282.06985	5.9
312.13470	0.7
342.11121	1.4
351.08734	1.5
356.12589	7.3
357.13382	29.7
358.13931	3.1
371.14941	14.8
372.15237	1.4
476.13422	0.6
487.32761	2.6
505.33505	0.9
556.21411	9.5
557.21893	1.8
573.19971	3.9
621.18323	1.0
653.22278	100.0
654.22620	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	653.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03432	1.2
57.39834	1.0
58.00591	2.6
59.01374	47.5
61.98824	4.0
69.03471	1.5
69.19003	4.3
69.19430	5.9
69.47761	0.9
71.01376	23.3
72.99310	4.1
73.02943	24.5
75.00881	1.1
81.03444	1.6
83.01382	1.5
85.02951	13.9
86.00125	1.6
87.00869	11.7
87.04514	4.1
89.02445	13.5
98.20686	1.8
99.00871	1.9
101.02433	29.2
103.04003	12.4
109.02989	1.5
113.02438	7.2
115.04015	7.3
117.03437	1.3
119.03514	4.3
123.04465	2.1
125.02453	2.9
127.03979	1.4
131.03490	11.3
133.02962	10.6
134.03746	1.2
135.04512	7.6
137.02426	1.7
143.03505	15.5
145.02971	1.7
145.05043	4.2
146.03600	1.2
150.03201	2.7
151.04018	2.7
158.03735	4.8
158.07397	1.3
159.04506	4.8
159.08116	1.3
161.02438	29.1
161.04546	2.6
162.02777	1.5
163.06111	25.2
172.05296	5.2
173.06049	11.3
173.09703	1.7
174.03157	5.1
174.06824	3.8
175.04044	1.9
175.07619	3.1
179.03444	7.5
183.10362	1.3
186.06859	4.2
187.04008	3.9
187.07629	20.3
200.04791	5.2
201.05562	44.5
201.09200	10.6
202.06316	14.1
203.03442	2.0
203.07132	11.9
205.07181	14.0
215.07079	3.7
221.04478	1.1
228.07993	2.1
229.08658	29.0
230.09451	81.9
231.09909	7.1
265.09204	2.6
277.10672	1.3
300.56964	1.2
325.15234	1.2
411.16553	3.1
487.14850	2.5
537.86768	1.3
555.20251	6.3
556.21527	100.0
557.21967	13.5
573.19550	1.6
621.18262	6.5
638.25122	1.5
653.20947	5.8
653.32983	1.6
654.21008	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	653.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00288	0.9
55.18486	1.0
57.03455	1.4
59.01375	32.9
60.99308	1.8
61.98826	8.5
62.85371	0.9
69.03458	2.7
71.01374	59.2
71.45418	1.9
72.13879	1.3
72.99298	3.9
73.02942	25.2
74.03291	1.0
75.00847	1.8
81.03465	1.4
82.38570	1.0
83.01365	2.7
85.02946	10.3
85.47895	1.0
86.00081	1.3
87.00877	19.2
87.04517	6.0
88.98794	20.2
89.02438	9.3
99.04518	1.3
101.02431	17.5
101.77026	1.2
103.04012	5.4
104.04483	1.0
113.02445	6.5
115.03998	9.6
116.92856	11.4
117.01938	1.9
117.92855	4.9
118.02331	1.0
118.92676	4.4
119.02657	0.9
119.03508	5.6
119.05019	3.1
123.04482	1.7
125.02460	1.6
127.04035	1.8
131.03491	14.6
133.02977	10.9
135.04506	8.4
143.03482	17.2
145.05054	3.0
150.03183	1.8
151.04007	2.9
161.02423	27.8
163.03989	2.7
163.06088	7.0
173.05931	1.1
179.03445	6.3
187.07671	2.9
200.08171	1.5
201.05489	5.2
201.09215	2.2
202.06335	3.2
203.03430	1.2
203.07109	1.5
205.07108	10.8
211.07716	1.4
225.88594	1.1
226.09972	4.9
227.07198	2.6
229.08623	5.7
230.09496	9.1
255.11140	1.4
255.13805	8.4
256.14490	1.3
270.12634	3.4
280.11389	1.5
299.16473	8.4
309.14978	1.3
327.15973	3.8
329.23257	1.6
399.60806	1.1
411.16455	1.4
491.28543	2.3
555.21106	2.1
556.21515	12.9
573.19983	2.1
581.25934	24.5
582.26605	3.1
621.17950	7.8
625.28729	18.7
626.29102	3.3
635.26782	6.2
653.28271	100.0
654.18549	1.6
654.28522	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	653.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63320	0.5
51.99195	0.5
59.01374	5.1
61.98815	1.4
62.96401	0.6
70.08996	1.8
78.95898	100.0
96.96964	0.7
135.11240	0.5
149.00099	5.1
152.99554	0.7
179.01089	1.0
179.54007	0.6
205.15982	1.8
209.11818	1.5
255.23224	1.0
277.21771	3.3
285.12540	4.2
355.16702	1.4
385.17804	1.5
391.22488	0.6
447.13373	5.7
448.13748	0.7
653.30048	58.3
654.30420	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	653.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03444	1.1
58.00588	1.7
59.01376	38.0
61.98824	4.9
63.98536	0.2
67.01915	0.3
68.99812	0.3
69.03455	2.7
71.01377	34.8
71.52428	0.3
72.01714	0.4
72.99301	2.9
73.02937	5.6
74.16589	0.2
75.00875	1.0
76.74834	0.3
80.66444	0.3
81.03446	1.7
83.01380	4.4
83.05022	0.4
85.02946	7.9
86.00108	0.4
87.00868	8.1
87.01379	0.4
87.04518	0.4
89.02438	31.9
90.02759	0.5
91.04005	1.0
93.03461	0.3
95.01381	2.6
97.02943	6.8
98.47559	0.3
98.75529	0.3
99.00878	2.5
99.04510	0.4
101.02436	28.4
103.00356	0.5
103.03983	0.4
109.02947	0.7
111.00873	0.8
111.04480	1.3
112.01731	0.3
113.02441	13.1
115.03993	0.6
119.03495	9.3
121.03004	0.6
123.00929	0.3
123.04544	0.5
125.02440	12.0
127.04011	0.5
131.03490	1.5
133.02921	0.7
133.05063	1.2
135.04535	0.4
137.02434	0.5
139.04007	1.3
141.01923	0.3
143.03500	5.1
144.03790	0.3
149.04521	0.9
151.03966	0.3
156.56551	0.3
157.05028	0.3
161.02443	1.2
161.04539	7.1
167.03511	0.6
169.04961	0.5
179.03394	0.5
179.03769	0.5
179.05592	6.2
185.04459	0.6
199.06117	0.5
203.05586	0.3
217.07170	0.9
221.06651	2.3
235.08211	13.7
236.08630	0.5
245.06683	0.6
253.09227	3.2
253.21722	0.4
255.23259	100.0
256.23599	7.0
263.07645	1.6
269.24817	0.6
277.09149	0.8
287.07654	3.6
305.08774	5.0
306.09241	0.4
323.09744	2.1
361.11185	0.7
379.12354	0.8
397.13461	97.4
398.13828	6.6
415.14532	33.6
415.18829	0.6
416.14871	3.1
652.81708	0.4
653.27448	0.5
653.37177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01371	5.8
59.42075	0.3
61.98822	41.2
67.26447	0.2
71.01373	5.2
71.53967	0.4
72.01711	0.3
73.02954	0.6
77.92506	0.3
83.01385	0.5
85.02939	5.7
87.00852	0.3
89.02435	2.9
95.01377	2.3
101.02432	1.5
103.04008	0.4
104.02663	0.2
105.03460	0.7
113.02439	9.0
117.03439	1.4
119.03490	0.6
119.05048	0.3
123.04485	0.3
132.02153	1.7
133.02942	28.1
134.03354	1.0
135.04514	4.4
136.04993	0.2
137.02461	0.3
151.61879	0.3
157.50421	0.2
161.02422	100.0
162.02745	4.8
163.04013	0.5
179.03479	2.4
356.12622	0.4
371.14883	1.1
429.17755	0.3
573.19861	2.0
591.20734	74.2
592.21057	12.5
654.19073	0.4
655.25488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08047	0.5
51.86464	0.6
57.12362	0.5
59.01376	14.0
60.01728	0.6
60.15993	0.5
60.36124	0.6
61.98824	88.9
71.01369	8.7
71.53582	0.9
72.99305	1.6
73.02953	3.2
73.43558	0.5
81.09418	0.6
83.01385	2.1
85.02950	6.5
87.00876	2.6
88.98816	1.1
89.02435	4.9
90.02784	0.6
95.01395	1.8
96.96014	1.2
97.85891	0.6
99.00851	0.7
99.04533	0.7
101.02435	6.7
103.04016	1.6
105.03485	1.0
109.02981	0.6
113.02445	10.3
115.04040	1.0
117.03465	1.7
119.03521	1.8
119.05005	1.1
121.02957	1.4
123.04496	0.8
123.65379	0.5
129.01947	0.8
131.03497	1.2
132.02161	1.8
133.02942	28.0
134.03662	2.4
135.04527	10.2
137.02420	2.9
143.03494	2.1
145.02940	0.7
149.06041	1.2
150.03168	0.8
151.03958	1.2
158.03690	0.6
159.04573	0.6
161.02423	100.0
162.02802	4.8
163.04039	0.7
163.06113	2.1
173.05998	0.6
175.03951	0.9
177.05637	1.6
178.02740	1.4
179.03458	10.3
179.05103	0.9
179.05615	0.8
180.03876	0.6
187.07603	1.3
193.05003	3.2
194.05351	0.8
201.05571	3.3
201.09291	0.6
202.05978	2.0
203.03439	1.4
203.06944	1.2
205.07159	1.4
209.11798	1.4
221.04526	1.3
229.08716	1.6
230.09383	4.5
231.09805	2.4
232.31883	0.6
251.05582	1.6
281.06607	2.6
309.37177	0.6
341.08691	1.7
353.59186	0.6
371.14807	2.2
475.17230	1.6
476.12970	2.8
523.21307	0.8
524.21851	0.6
524.59821	0.7
556.21600	3.0
557.22192	6.1
573.19696	13.9
574.19910	2.0
591.20715	59.2
592.21008	8.4
622.18835	1.4
653.29309	0.7
653.40363	1.3
654.19537	2.1
654.29419	1.0
655.24072	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.5
60.84695	0.9
61.98814	3.6
71.01380	14.1
72.99303	1.6
73.02943	1.6
73.82326	0.8
76.12063	0.9
83.01383	1.6
84.43043	0.8
85.02942	2.4
85.07125	0.9
87.00873	1.0
89.02447	10.6
94.94778	0.9
95.01360	2.0
99.04464	0.9
101.02451	7.4
113.02415	2.3
118.77972	0.9
119.03507	2.3
119.05014	10.6
121.02943	11.1
122.02460	1.8
133.02946	3.2
135.04486	2.0
136.01645	5.1
137.02399	1.3
143.03502	1.1
144.48088	1.0
145.02866	1.0
151.04013	5.3
151.05037	0.9
161.02429	6.3
161.04535	1.0
162.02757	1.9
163.04012	8.0
179.03476	2.2
185.11838	1.8
227.07112	1.2
230.60771	1.0
252.97774	0.8
253.08789	0.9
255.06715	1.1
260.39438	1.1
265.08823	1.0
272.06802	1.1
322.01184	1.0
335.00916	0.9
380.28577	0.9
400.13577	1.4
401.13480	1.0
409.83981	1.1
415.15393	1.9
428.96411	0.9
431.78473	0.9
436.52444	0.9
449.14508	1.3
460.15219	2.6
461.15738	3.7
469.24554	1.3
475.17831	4.5
475.28186	1.7
493.20337	1.5
493.30545	1.1
592.21375	1.6
595.22064	2.1
655.23932	100.0
655.34644	6.9
656.24310	17.8
656.35168	0.8
671.21344	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76160	0.5
55.01878	1.4
57.03449	1.1
57.74726	0.5
59.01377	11.6
61.98826	3.5
71.01376	17.5
72.99284	0.5
73.02940	8.5
75.00855	1.2
81.03458	0.8
82.30643	0.5
83.01378	3.4
85.02942	7.7
87.00872	1.4
89.02448	5.0
95.01374	1.0
97.02924	1.2
99.00876	4.6
101.02434	16.1
102.02800	0.6
109.06571	0.9
111.00888	0.7
113.02451	5.3
115.04003	1.0
125.02434	1.5
131.03468	1.2
133.02925	1.2
134.60738	0.5
135.04480	1.3
143.03455	0.6
151.07556	0.6
159.02942	1.0
161.02460	3.4
161.04532	2.2
171.10295	0.6
207.10118	0.6
209.11798	3.3
210.12035	0.6
211.13336	4.5
212.13501	0.6
214.75067	0.5
225.11325	0.9
233.06612	0.9
283.27798	0.5
284.10083	0.5
301.21686	50.5
302.21988	5.1
316.02649	0.5
325.91675	0.6
401.22748	0.7
463.26929	11.3
464.27344	1.4
579.22791	0.9
595.31158	100.0
596.31519	13.7
637.32208	1.7
655.32208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	25.8
63.02405	0.4
63.41056	0.4
76.50964	0.4
80.30097	0.4
102.99199	0.4
107.01392	1.1
132.02164	0.6
135.00874	0.6
144.10371	0.4
151.00401	2.3
161.02440	1.9
161.55930	0.5
163.00356	1.1
178.99767	0.5
185.06082	0.5
187.04044	0.7
201.05470	0.4
211.04054	1.1
213.05563	0.5
227.03474	22.2
228.03958	1.4
229.04988	3.2
235.65646	0.4
235.68420	0.4
239.03551	0.8
248.73503	0.4
255.02956	39.3
256.03491	5.2
257.04523	2.0
284.03232	70.0
285.03952	28.8
286.04349	1.7
327.05066	0.5
390.81613	0.4
593.15033	100.0
594.15265	14.2
594.24786	0.7
685.45740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50198	0.2
59.01358	0.7
60.46233	0.2
61.98826	21.0
63.02398	0.4
63.36005	0.2
65.00338	0.4
69.31191	1.1
69.31618	0.8
78.74760	0.2
83.01372	0.4
91.01867	0.3
93.03468	1.0
98.20606	0.5
107.01380	1.4
109.02980	0.5
123.04507	0.5
125.02412	0.2
132.02185	0.6
133.02925	2.0
134.03279	1.0
135.00864	1.1
135.03566	0.4
135.04520	2.0
136.04851	1.1
137.02466	0.4
137.04945	0.4
143.04996	0.5
147.04524	0.2
150.03174	0.4
151.00354	1.6
151.03889	0.8
152.04364	0.4
153.01921	0.4
158.11374	0.2
159.04503	0.9
161.02434	5.5
162.02786	3.1
163.00377	1.7
163.02867	1.3
164.01115	0.4
164.03217	0.4
165.01956	0.4
167.05002	0.2
169.06573	0.5
171.04468	0.4
175.03979	0.5
176.04179	0.2
177.05569	0.4
178.99915	0.3
179.03552	1.1
180.03841	0.5
181.03952	0.4
183.04469	0.3
185.06093	1.4
187.04028	1.7
189.05565	0.7
192.00740	0.3
195.04579	0.5
196.05136	0.2
197.06071	0.3
199.04007	0.6
203.03413	0.5
204.03860	0.5
205.03847	0.2
211.03987	1.7
213.05493	1.0
214.02637	0.3
227.03474	20.0
228.03815	1.2
229.05008	7.8
230.05377	0.6
239.03432	1.1
240.04277	0.6
241.05008	1.2
255.02965	37.0
256.03528	4.5
257.04477	4.3
258.04706	0.4
267.02933	0.6
283.02478	0.5
284.03238	52.0
285.03989	62.8
286.04327	5.3
327.05090	0.8
335.41174	0.3
489.15005	0.5
490.15088	0.6
593.15045	100.0
594.15375	16.3
621.18329	0.5
623.18542	0.5
624.19110	4.4
625.19708	0.3
656.21515	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	656.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05625	1.1
57.03447	2.7
59.01377	86.3
61.98827	100.0
71.01380	16.1
71.28619	1.5
73.02934	5.2
83.01421	2.3
85.02944	9.1
85.06550	1.1
89.02456	3.8
95.01371	1.7
99.00892	2.1
101.02431	7.5
111.07460	1.1
111.09628	1.1
113.02456	11.2
119.61343	1.0
130.67564	1.0
133.02971	1.6
133.08310	1.2
135.04535	2.5
137.02446	1.4
139.00331	1.9
145.02940	4.0
150.06892	1.2
159.03065	1.5
161.02449	6.1
161.04533	2.4
179.03531	2.7
209.11768	2.4
257.12955	2.1
268.52969	1.1
295.10727	1.4
301.11887	3.7
345.30127	2.4
360.55804	1.3
459.33099	1.4
464.72052	1.2
489.34302	83.4
490.34778	10.7
494.35510	2.5
495.16721	1.5
507.35336	30.0
508.35742	4.9
549.36401	26.2
550.36871	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	656.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
59.01376	86.9
60.58422	1.1
61.98827	99.8
63.09909	1.2
69.03446	1.3
71.01381	15.6
71.34135	1.9
73.02931	4.9
80.05038	3.3
82.95399	1.1
83.01392	5.8
85.02940	7.9
87.00862	1.7
88.98785	1.3
89.02432	2.3
95.01388	3.1
95.46896	1.1
96.96013	1.4
97.02949	1.5
97.70524	1.3
99.00903	1.5
101.02443	11.3
106.06618	1.2
108.08771	1.1
111.00867	1.4
113.02428	10.1
115.04001	1.2
119.77341	1.2
133.02957	9.1
134.06117	7.9
135.04524	9.4
143.03474	1.6
150.06831	3.2
151.03960	1.4
159.04495	1.2
161.02440	22.9
161.04483	1.9
162.02742	4.2
163.07692	1.9
163.11278	1.1
166.85585	1.1
173.06180	1.3
179.03447	10.5
179.10681	1.4
180.03809	1.8
201.05707	1.3
202.06273	1.9
203.03543	1.4
209.11861	5.8
210.12071	2.0
211.13455	2.7
221.04411	1.9
239.11674	1.9
241.09721	2.3
283.10791	5.6
283.13611	1.6
299.25854	3.6
310.09293	1.5
313.23676	1.5
317.16562	1.2
322.25360	1.2
341.26743	2.3
345.30054	6.6
359.27942	10.3
373.29556	1.8
376.16644	3.5
401.29068	1.9
407.15134	4.1
407.65424	8.3
416.15714	2.6
416.65976	5.5
417.15939	1.8
420.15509	2.9
452.18066	4.3
489.34296	100.0
490.34647	15.3
493.35086	3.6
494.35535	4.7
495.36627	3.3
507.35321	34.5
508.35672	4.7
529.81488	1.6
534.19958	4.6
534.70331	12.4
535.20660	4.6
537.21649	2.0
549.36414	21.8
550.36761	3.1
581.20313	5.0
613.23157	6.5
621.18500	3.2
630.76288	5.0
631.25513	2.3
639.25977	1.4
639.76959	6.8
640.26874	5.7
656.41425	2.1
657.39783	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
61.98827	100.0
67.29311	0.3
71.01350	0.3
78.95908	0.6
93.52312	0.2
133.02928	0.5
135.04561	0.5
145.02855	0.3
160.88182	0.3
161.02483	1.2
179.03564	0.6
193.78889	0.3
277.21756	0.7
455.28931	0.3
480.18201	0.7
480.68533	0.4
489.19223	0.6
526.20697	0.8
526.70935	0.5
656.29480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00564	0.5
59.01374	6.4
61.98829	1.3
71.01364	3.2
71.50868	0.5
71.51218	0.6
77.04356	0.5
81.65474	0.5
83.01406	0.5
85.02951	1.4
87.00864	1.8
89.02430	1.4
93.03454	0.8
95.05012	0.6
101.02434	2.6
103.04088	0.7
104.53239	0.5
108.02159	1.3
109.02942	3.9
111.00864	1.0
113.02472	0.6
117.03485	0.6
119.03445	0.6
119.05009	1.9
121.02934	1.2
123.04522	8.4
125.02440	0.9
131.03548	0.5
132.02238	0.6
133.02953	16.6
134.03596	0.6
135.04524	25.6
136.01646	1.6
136.04855	0.8
137.02443	100.0
138.02785	3.2
139.04010	1.8
145.02933	1.1
148.04033	1.0
149.02464	3.6
149.06070	1.5
150.03226	8.8
151.03999	19.4
152.04329	0.6
158.64816	0.5
161.02440	55.7
162.02817	2.3
163.03993	2.3
163.06100	2.0
175.03992	1.6
177.05534	2.5
179.03493	13.3
180.03810	1.0
183.06638	1.4
191.05641	1.7
193.05043	0.8
203.03552	3.5
220.87123	0.6
221.04567	1.1
239.05675	0.8
263.11270	0.6
307.13931	0.6
427.12500	0.7
441.14075	2.1
459.15073	2.0
477.16232	1.5
487.14612	1.7
501.16379	4.6
502.16293	0.6
519.17059	2.4
529.15735	2.2
621.18286	17.0
622.18567	2.4
639.19250	23.9
640.19696	3.3
657.20221	16.0
658.20898	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	657.2197
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
59.01379	1.9
61.98540	0.4
61.98830	4.7
70.74359	0.7
70.74681	0.5
71.01379	0.8
73.36807	0.3
73.69585	0.3
128.35156	0.4
133.02948	1.5
135.04536	1.6
141.01730	0.5
144.06680	1.0
152.42525	0.4
161.02451	3.7
179.03484	0.8
202.06319	0.5
277.21732	1.5
283.13303	0.5
400.14514	4.3
400.64505	1.7
409.14761	1.3
409.65121	0.6
451.13980	1.4
464.14981	1.7
465.15286	0.6
466.16327	0.9
478.17178	0.5
479.17517	0.5
493.14670	0.7
494.15927	1.3
495.16574	1.6
505.18762	0.6
507.16772	9.5
508.17337	2.6
510.15250	1.3
511.16055	0.7
521.13617	4.4
522.14301	0.5
526.15033	1.9
527.19293	1.3
527.69025	1.0
533.14966	0.5
534.15118	1.1
535.15906	1.5
539.15576	2.9
540.16150	1.0
549.17731	6.9
550.18164	2.3
551.18329	0.4
553.17310	21.1
554.17554	6.0
555.18414	0.5
566.18250	2.9
566.26044	0.6
567.18591	1.0
581.20526	4.0
582.19983	1.2
583.18201	0.4
585.19751	0.5
586.16528	0.6
598.16565	1.8
599.16992	0.7
625.19086	1.5
657.21899	100.0
657.80389	2.0
658.22198	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	657.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90348	0.5
54.68468	0.6
59.01375	4.8
61.98824	57.8
70.00779	2.1
71.01392	0.7
74.45498	0.5
77.08399	0.5
78.95894	2.1
83.80019	0.6
84.83388	0.6
87.29558	0.6
89.02400	0.6
93.25726	0.6
120.22106	0.6
135.04477	1.0
140.20528	0.6
152.99562	0.9
161.02386	2.9
179.03540	0.8
185.67809	0.7
195.13802	1.0
201.11351	1.3
209.11737	4.4
210.12103	0.7
256.23965	0.9
277.21674	1.6
295.22809	3.7
400.13910	0.8
451.13873	0.9
452.14566	0.7
464.15363	0.7
465.15475	1.0
473.18820	0.7
494.15338	0.8
495.16544	3.5
507.16849	5.3
508.16986	1.3
510.15115	0.8
512.12286	0.8
521.14093	3.1
522.14868	1.1
526.14838	1.9
535.15991	1.6
539.15436	4.7
540.16187	1.4
549.17706	2.7
553.17230	19.0
554.17554	5.4
566.18018	1.7
567.18262	1.4
581.19904	1.5
586.17053	1.0
598.17798	1.0
657.21948	100.0
658.22211	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	657.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70632	0.4
55.72395	0.5
57.57326	0.4
59.01375	3.9
61.98831	1.5
62.11839	0.4
67.64757	0.4
69.45812	0.5
71.01368	1.0
79.05518	0.6
98.19940	1.1
101.02445	0.5
119.05093	0.6
120.04520	2.3
121.05325	1.5
122.06126	5.4
123.37872	0.4
132.04599	0.6
133.02933	1.1
134.06085	1.9
135.04527	1.3
135.06879	1.8
136.07671	9.5
136.08667	0.8
148.07712	0.5
150.06747	0.5
152.07156	2.5
161.02420	3.6
161.07231	0.7
171.11794	1.9
179.03471	1.1
185.08438	0.5
189.10306	0.5
190.05016	2.2
195.95758	0.4
198.09206	1.6
199.10046	1.0
209.11769	1.2
211.13383	1.0
214.12358	8.6
214.73013	0.4
225.71429	0.4
227.08209	2.0
228.08827	0.8
229.09819	4.6
230.11887	3.2
241.09804	5.4
242.10571	13.6
243.10938	0.6
256.12207	0.6
257.12930	74.0
258.13293	4.4
261.98370	0.4
283.10864	0.7
301.11902	100.0
302.12228	7.2
328.46924	0.5
355.12888	4.9
356.13763	0.7
388.12738	0.5
494.35638	0.8
534.20374	0.5
553.19635	0.4
563.22559	0.6
583.22284	0.5
621.18311	1.0
625.23187	0.9
640.77362	0.5
657.25500	1.0
657.37756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95261	0.2
59.01371	0.6
61.98825	1.1
70.68139	0.2
71.01376	0.5
71.53784	0.3
72.06728	0.2
78.72977	0.2
83.01378	3.6
89.02455	0.4
93.03455	0.5
95.01414	0.2
101.02441	0.4
108.02165	18.5
109.02497	0.4
121.02988	0.6
122.03756	0.6
135.04541	0.4
137.02441	0.8
137.06099	0.6
138.01962	100.0
139.00432	0.3
139.02298	2.8
147.04488	0.4
161.02435	0.4
168.00650	0.3
221.08215	0.4
237.48416	0.2
248.37595	0.2
249.63901	0.2
313.57440	0.2
342.11060	0.7
357.13412	14.4
358.13751	1.7
389.68417	0.2
465.65189	0.2
475.98877	0.2
519.18756	0.4
543.23242	0.2
651.77979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32262	0.1
59.01375	3.6
60.01686	0.3
61.98825	100.0
62.98534	0.2
71.01370	0.8
71.53235	0.2
73.02941	0.4
85.02970	0.5
88.98833	0.2
89.02456	0.2
89.18917	0.1
98.86248	0.1
99.00902	0.2
101.02446	0.8
113.02467	0.3
119.05042	0.3
120.05824	0.9
122.06200	0.2
133.02953	0.3
135.04529	0.6
135.08150	4.4
136.08487	0.9
139.04071	0.3
152.07222	0.2
161.02444	0.6
161.04506	0.2
169.12360	0.3
179.03517	0.4
197.67026	0.1
203.03607	0.2
209.11803	0.9
210.12068	0.2
211.13364	0.4
212.13773	0.2
382.53281	0.2
443.30322	0.3
444.14874	0.1
444.30319	0.2
461.31219	0.9
462.31525	0.9
471.15524	0.2
497.27811	0.2
580.39948	0.3
598.31689	0.3
599.33972	0.2
622.18860	0.2
658.42871	0.7
659.33197	0.5
659.42889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62703	0.2
58.32166	0.2
59.01385	0.2
61.98827	100.0
71.21398	0.3
74.73225	0.2
78.95937	0.2
80.96510	0.4
83.14921	0.2
83.49098	0.2
127.90748	0.2
132.55038	0.2
151.17459	0.2
161.02435	0.6
246.47746	0.2
277.21741	0.3
290.98770	0.2
336.02689	0.2
342.34793	0.2
400.64633	0.2
474.49335	0.2
577.26593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30989	0.3
50.79567	0.3
57.06345	0.3
59.01374	68.1
59.43456	0.3
60.01701	0.7
61.98816	0.9
69.99179	0.3
71.50755	0.3
71.51146	0.3
85.75594	0.3
90.97134	0.7
93.94906	0.3
94.46346	0.3
114.11266	0.3
118.96627	0.9
132.98175	1.7
150.94823	0.5
157.03577	1.9
159.01521	0.7
174.99226	26.2
186.03607	0.3
192.95876	2.5
195.43520	0.3
201.02545	16.6
202.02696	1.0
217.00269	100.0
218.00677	2.9
219.81009	0.3
279.22504	0.3
343.03534	1.8
344.03723	0.4
359.01431	34.4
360.01672	3.9
374.99173	53.8
375.99597	2.6
382.45984	0.3
501.02496	0.6
517.00293	10.9
518.00665	1.8
628.63586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57035	0.5
59.01382	4.5
61.98828	16.2
65.03949	1.5
66.69800	0.7
68.99570	0.8
69.03451	1.1
69.45657	4.8
71.01382	2.2
75.00851	0.7
80.05049	6.8
85.02962	0.6
88.98797	3.6
89.02444	1.2
94.06612	1.9
96.96007	2.6
101.02446	1.1
104.05060	2.1
106.06616	3.9
107.03783	3.8
108.04547	2.5
120.06023	0.6
121.05284	0.7
121.06587	1.0
122.06120	23.3
124.07687	1.0
125.99628	0.6
132.04546	1.7
133.02933	1.4
134.06125	9.1
135.04520	1.3
136.07704	3.0
137.02534	0.7
139.02901	0.7
139.03999	3.3
141.02098	0.6
146.06102	1.9
148.03986	1.9
148.07718	1.0
152.07164	44.8
153.07478	1.3
160.04036	1.9
160.07718	0.6
161.02458	3.7
161.04582	0.8
165.05647	1.0
166.05095	0.7
170.30429	0.8
173.04808	1.2
174.05589	1.9
179.03523	1.0
180.06648	7.3
183.06641	0.9
186.05605	1.0
188.07153	15.5
191.05571	1.3
208.09769	0.7
209.04448	0.7
210.08034	0.8
211.08775	2.1
213.10307	1.2
214.05101	0.7
223.08752	1.0
224.09488	1.4
225.10341	5.0
226.11122	1.8
227.11848	4.8
236.09451	1.1
237.10370	1.6
238.07512	2.3
239.08142	0.9
239.11884	1.4
245.12868	4.1
249.10258	1.5
251.08275	1.9
251.11884	2.5
252.08951	2.4
253.09793	9.2
254.10248	0.7
257.38055	0.6
263.08090	1.0
264.08926	0.8
265.09760	3.3
266.10507	0.8
267.11316	4.3
269.12805	0.9
277.09811	2.6
279.08044	3.2
279.11230	3.0
280.08429	1.0
285.12451	0.9
292.08310	1.3
293.09381	2.5
294.10098	3.8
295.10849	39.7
296.11169	3.3
307.10870	14.9
308.11243	1.8
313.11996	1.7
321.08652	1.1
323.10272	3.7
339.09821	2.4
340.10358	0.9
390.18121	1.1
392.19620	1.7
414.17999	0.9
418.17548	1.8
432.19351	3.7
440.15903	0.9
453.21494	1.1
458.17432	1.1
460.18759	38.2
461.19052	5.6
476.18256	2.7
486.17310	0.7
504.17755	100.0
505.11273	1.3
505.18076	12.9
505.24933	1.0
508.21078	1.3
536.20343	61.4
537.20563	9.9
557.22260	1.2
565.24042	1.0
569.53009	0.7
578.21973	1.0
587.23029	1.1
627.24268	1.1
659.29156	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.2
61.98835	0.7
69.03435	0.6
71.01384	5.4
71.52974	0.4
73.02939	1.4
83.01372	0.7
85.02951	1.8
85.26441	0.2
88.98798	0.4
89.02434	1.2
93.03446	0.6
95.00809	0.2
95.01379	0.6
96.96011	0.6
99.00845	0.3
101.02425	1.1
103.04014	0.3
108.02130	0.3
109.03006	0.5
112.36685	0.3
113.02448	2.9
113.14965	0.3
117.03455	25.8
118.03804	1.2
119.03513	0.5
119.05023	8.3
119.98170	0.3
120.05325	0.3
122.82686	0.3
123.04517	0.3
125.02444	0.6
127.03991	0.3
130.15062	0.2
133.02885	0.3
135.04510	0.6
143.05034	2.1
145.02943	100.0
146.03285	4.3
155.03505	0.4
161.02397	0.7
161.04597	0.6
161.06024	0.6
163.04004	6.9
164.04378	0.4
179.05750	0.4
179.07103	1.5
185.00623	0.3
187.03983	0.9
203.05562	0.5
205.05032	0.9
223.06108	5.8
223.08122	0.5
357.13217	0.4
365.16525	0.3
404.64032	0.2
471.18262	0.3
617.22357	20.2
618.22522	3.7
649.19769	0.3
661.30640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33105	0.8
59.01119	0.9
59.01376	6.0
61.98813	1.4
64.00530	0.8
64.42893	0.8
65.39318	0.9
71.01377	3.1
72.99293	0.9
80.96434	0.8
83.01377	0.9
85.02948	1.2
89.02447	2.3
94.58459	0.7
95.01393	0.9
101.02444	2.4
108.02168	36.3
109.03008	1.1
113.02451	2.1
117.03459	1.3
121.02957	1.0
123.04472	1.0
132.02127	2.5
133.02946	26.7
134.03691	3.2
135.04515	18.2
136.04819	0.9
137.02409	2.4
138.39220	0.8
139.04027	1.6
149.06078	1.0
150.03214	1.0
161.02428	100.0
162.02739	4.4
177.05582	3.9
178.02750	0.9
179.03488	18.5
181.05061	2.1
183.06644	1.2
191.05652	1.3
221.04524	5.2
251.05547	4.6
281.06604	7.8
285.09656	0.8
340.75043	0.8
341.08823	3.0
477.13971	95.0
478.14294	13.6
481.17035	1.6
661.23279	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2136
Annotation	BK 223B
Peak:m/z	Relative Intensity
55.01878	4.2
57.03441	0.8
59.01378	4.1
61.98825	8.8
70.65556	0.5
71.01378	4.8
71.53337	0.7
72.99251	0.6
73.02943	2.8
83.01381	100.0
84.01710	1.9
85.02925	1.2
89.02440	1.3
93.03443	1.8
96.96006	0.8
99.00862	8.7
101.01797	1.0
101.02438	16.7
113.02422	2.0
119.03481	1.0
121.02942	15.4
122.06087	0.8
123.00868	1.9
127.00367	25.1
128.00681	0.5
133.02931	1.2
135.04495	1.2
136.05284	19.4
137.06099	0.7
138.03178	0.9
141.01926	1.7
147.04485	1.2
152.07138	0.8
161.02409	2.2
168.04271	5.3
179.03413	0.8
195.06598	0.7
204.04234	1.0
209.08051	0.8
219.06601	0.8
235.09630	1.6
241.09853	0.9
243.28334	0.6
271.10870	1.4
281.09357	1.1
283.10876	1.6
289.05615	3.2
312.13458	0.8
356.12653	5.8
357.13016	2.6
371.14935	37.2
372.15439	4.0
599.21027	0.9
611.21655	0.9
618.24243	0.7
643.23798	4.0
661.21222	46.6
662.21381	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	661.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
59.01379	3.2
61.98816	1.6
62.30769	0.5
68.12109	0.5
69.03439	2.4
69.48589	3.8
70.93291	0.5
71.01368	2.1
71.47256	0.6
73.02919	1.0
73.05743	0.5
75.23186	0.6
79.01901	0.9
81.03438	1.1
83.01370	1.1
83.40937	0.5
85.02942	1.4
87.00849	0.5
89.08836	0.6
89.61322	0.5
90.38120	0.5
95.01384	3.1
97.02941	3.5
101.02430	1.7
107.01400	2.6
109.02935	0.8
121.02973	0.7
123.00861	7.8
124.01662	19.6
125.02444	49.2
126.02770	1.8
135.04495	0.6
137.02417	1.9
149.99579	26.8
151.00345	4.5
156.35641	0.5
161.02400	0.6
165.01953	0.6
167.03500	1.2
168.00629	55.1
169.01364	6.6
267.09164	0.6
303.18735	0.7
313.05634	1.0
339.43045	0.6
347.17111	1.1
510.47482	0.6
512.57953	0.6
661.23431	100.0
662.23895	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	663.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78660	0.4
53.03864	0.3
59.01371	3.1
70.80408	0.4
71.01382	1.6
71.05012	0.4
71.51497	0.3
72.99321	1.1
73.02959	1.4
75.00870	14.3
80.07766	0.3
81.03471	1.5
85.02942	4.9
87.00856	3.0
89.02425	0.4
89.85812	0.3
93.03452	3.3
96.96011	1.1
99.00871	2.0
99.04541	1.0
111.04526	0.9
113.02463	0.5
114.77238	0.3
117.03470	0.5
119.05020	4.6
127.04035	1.5
143.03499	3.9
145.02939	3.0
160.76317	0.3
161.02525	0.7
161.04553	2.2
163.03995	7.6
164.04350	0.5
171.02968	0.5
173.04488	1.7
179.05598	61.7
180.05942	1.7
191.05600	100.0
192.05954	3.8
197.41464	0.4
219.38821	0.4
232.15085	0.3
314.79651	0.4
325.09265	11.3
326.09689	0.9
337.09259	28.3
338.09521	2.6
465.17661	4.0
466.17984	0.5
586.81946	0.4
663.20428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
57.03437	2.9
58.00584	3.2
59.01376	100.0
61.98826	1.9
69.32985	6.2
69.33408	2.2
71.01377	56.1
72.01736	1.7
72.99295	3.9
73.02946	8.6
83.01373	4.7
85.02944	15.3
87.00871	3.1
89.02438	45.2
95.01381	5.9
97.24016	1.0
98.19901	1.9
99.00868	2.2
101.02434	29.9
113.02443	34.7
119.03506	17.3
119.05006	3.2
124.77414	0.9
125.02438	1.3
131.03513	2.4
143.03513	4.7
145.02962	1.4
145.92879	0.9
149.04440	1.7
159.18399	0.9
160.51857	1.0
161.02434	1.4
161.04536	9.9
163.04005	1.2
179.05582	11.1
191.05455	0.9
198.43996	1.0
397.22195	1.9
411.81299	1.1
415.23380	2.3
477.02875	1.2
501.13928	2.6
559.27515	73.0
560.28076	10.5
577.28619	51.5
578.28998	8.2
619.29559	16.9
620.29694	4.5
684.47327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28156	0.9
55.01866	1.6
57.03444	1.6
58.00591	3.1
59.01377	100.0
60.01707	1.3
61.98827	3.4
69.03449	1.9
71.01379	58.2
72.99316	3.1
73.02944	26.6
74.47640	0.9
75.00861	1.8
83.01372	9.0
84.02224	0.9
85.02945	17.3
87.00863	5.0
89.02438	44.9
90.02799	1.0
90.03584	1.1
92.28749	1.0
95.01376	6.4
99.00873	1.8
99.04568	1.0
101.02436	38.6
113.02443	43.1
114.02771	1.0
119.03500	19.1
124.01714	1.3
125.02431	3.7
131.02351	1.1
131.03462	2.3
133.65862	0.9
143.03482	7.5
149.04550	4.3
149.99448	1.5
161.04552	12.8
168.00594	2.1
169.01056	1.9
179.05592	20.2
397.22226	3.7
415.23373	4.3
483.18845	1.5
559.27551	49.3
560.27869	8.0
577.28589	52.9
578.28680	7.8
619.29517	10.3
620.30280	2.2
663.24176	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	664.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93416	0.3
59.01388	0.5
61.98827	100.0
62.44217	0.3
71.01372	0.4
77.86643	0.3
84.99491	0.3
116.15624	0.4
123.71973	0.4
126.15746	0.3
133.02960	0.8
135.04518	0.4
145.87373	0.3
161.02403	3.0
161.44194	0.3
178.55833	0.3
179.03477	0.6
199.61438	0.4
203.03447	0.3
222.28691	0.3
244.37558	0.3
247.19284	0.3
277.21902	0.3
297.81934	0.4
407.15207	1.7
407.65863	0.5
416.15945	0.9
416.66180	0.6
471.35028	1.1
498.61008	0.4
534.20557	1.3
534.70520	0.7
645.80432	0.4
664.31085	1.5
664.81622	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66293	0.7
56.10726	0.7
57.03436	0.7
59.01376	79.2
61.98827	100.0
71.00341	1.9
71.01376	2.7
73.02950	1.6
77.51687	0.7
83.01382	1.1
85.02925	1.9
101.02470	2.0
113.02429	0.9
121.02972	1.5
125.02446	0.8
147.70576	0.9
188.99826	0.8
207.87907	0.8
228.80043	0.8
353.26852	0.9
368.40009	0.9
497.31137	23.1
497.38281	1.2
498.31647	2.3
515.32202	7.3
516.32629	1.6
547.40369	0.8
557.33215	6.3
558.33295	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98826	1.3
69.28336	1.5
70.85701	0.2
71.01387	1.6
73.02950	0.5
77.35438	0.2
78.46558	0.2
83.01380	0.4
84.36732	0.2
85.02941	1.0
88.98813	0.4
93.03444	0.5
98.19857	0.4
99.36510	0.2
101.02421	0.8
102.07840	0.2
108.02158	0.3
109.02937	0.7
113.02427	0.8
116.92825	0.2
117.03455	30.9
118.03785	0.8
119.05016	13.2
120.05349	0.6
121.02950	0.9
122.03730	0.4
123.04532	0.3
124.01659	0.2
125.02391	0.3
133.06635	0.3
134.03693	0.3
135.04538	0.3
136.01649	14.0
137.02448	2.0
145.02939	100.0
146.03278	4.6
147.04483	0.6
149.06111	0.3
151.03998	14.3
152.04318	0.6
158.03658	0.3
159.04474	1.1
160.05260	0.7
161.02437	0.7
161.06088	1.3
163.04002	9.7
164.04301	0.5
173.06030	0.6
175.04022	0.7
175.07639	0.5
176.04796	0.6
177.05511	0.6
179.03435	0.4
187.03941	1.1
189.05594	0.6
190.06314	0.3
191.07114	0.7
203.07164	0.3
205.04997	0.6
247.06059	0.5
267.06573	0.3
279.06607	0.2
283.09598	0.6
307.08194	30.9
308.08459	2.4
312.10049	0.4
313.10764	1.1
327.12250	1.8
342.10986	0.8
343.11816	14.3
344.12091	1.3
357.13474	2.0
417.32639	0.2
487.16370	0.2
504.96027	0.3
621.34357	0.3
635.21564	0.3
665.22296	38.1
666.22662	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	665.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	0.3
59.01377	3.1
61.98826	3.5
68.52585	0.2
69.03475	0.4
71.01376	2.6
71.53709	0.3
73.02930	0.6
73.77322	0.2
83.01375	0.3
85.02956	1.1
85.38682	0.2
87.00862	0.4
88.98811	0.8
89.02441	0.8
89.03935	0.2
93.03454	0.3
97.06573	0.3
99.00889	0.3
99.04497	0.3
100.42081	0.2
101.02447	1.2
101.80914	0.2
108.02167	0.7
109.02949	0.8
113.02428	1.1
117.03456	34.0
118.03779	1.2
118.98067	0.4
119.05017	14.4
120.05323	0.6
121.02973	1.2
123.04512	0.4
125.09725	0.8
133.02922	0.4
134.03714	0.4
135.04491	0.8
136.01651	14.8
137.02504	1.7
140.54425	0.3
145.02940	100.0
146.03276	4.1
151.03998	15.1
151.05246	0.4
152.04327	0.6
158.03659	0.3
159.04488	1.0
160.05275	0.5
161.02408	0.7
161.04692	0.3
161.06076	1.4
163.03995	11.6
164.04398	0.3
173.06053	0.6
175.03964	0.5
176.04716	0.6
177.05583	0.7
179.03502	0.8
187.04018	1.1
187.09769	0.5
188.04596	0.4
189.05511	0.6
191.07088	0.7
203.07025	0.5
205.05037	0.6
209.11761	0.7
240.83342	0.2
247.06204	0.6
251.07224	0.2
267.06699	0.5
268.07355	0.4
279.06659	0.5
283.09659	0.7
307.08194	36.6
308.08615	2.2
312.09970	0.5
313.10736	1.3
327.12363	2.2
328.12659	0.3
342.11047	0.5
343.11819	16.6
344.12216	1.4
357.13367	2.0
358.13705	0.3
389.29587	0.3
459.25806	0.7
479.58426	0.3
569.90155	0.3
621.34344	0.4
629.35626	0.4
633.31427	1.1
634.31335	0.4
635.21765	0.5
665.22333	35.5
666.22644	7.2
666.33929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60676	1.2
58.00562	1.1
59.01375	79.8
61.98827	100.0
71.01378	6.9
72.99300	1.3
73.02946	2.4
73.31911	1.2
73.90327	1.1
80.72955	1.3
85.02934	2.3
89.02420	1.4
92.37067	1.2
94.36789	1.3
101.02422	5.3
113.02423	1.5
116.92862	2.6
121.02956	2.6
161.02473	2.3
175.04095	1.2
185.28603	1.2
234.61948	1.3
355.28860	1.3
445.16516	3.2
499.32733	20.3
500.33072	3.0
517.33862	8.5
559.35004	10.3
560.34845	2.6
667.38324	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93740	0.3
55.01871	1.0
57.03436	1.6
59.01374	5.3
65.03944	0.9
66.59931	0.4
67.01887	0.4
68.99815	3.8
69.03439	1.6
69.08199	0.4
69.25932	1.1
69.26352	2.2
71.01376	7.7
72.99317	0.6
73.02957	2.7
75.00870	1.8
83.01380	2.9
83.62575	0.4
85.02947	7.4
87.00867	2.6
89.02437	0.9
95.01382	1.6
96.96001	0.4
97.02936	0.5
99.00872	6.0
101.02447	5.6
108.02164	0.4
109.02943	0.7
111.00877	2.7
111.04606	0.5
111.66334	0.4
112.98797	0.8
113.02449	7.1
113.99590	11.6
114.99702	0.5
115.00388	7.2
125.02428	1.0
127.00362	3.1
129.01952	2.7
129.08829	0.4
133.02936	3.3
134.03699	1.4
135.03015	0.7
135.04501	1.3
137.02499	0.4
139.00359	1.3
139.03990	1.4
141.01939	0.9
145.02957	0.6
151.00403	0.4
153.01918	0.6
156.00641	0.9
157.01445	3.6
161.01129	0.7
161.02437	11.4
162.02748	1.3
163.04045	0.7
165.01973	1.0
165.05554	0.9
169.01419	1.3
174.01678	8.3
175.02477	2.2
179.03438	1.5
183.06618	0.6
185.11899	0.6
191.05467	0.4
191.69516	0.4
193.05061	1.6
195.06503	0.5
259.04437	1.0
277.05521	0.8
281.06738	0.6
329.15915	1.0
347.17010	3.9
371.66595	0.4
482.17557	0.8
483.17926	1.8
505.15121	0.5
551.13867	3.6
552.14575	0.6
607.22333	5.4
620.12805	0.4
667.24554	100.0
668.24860	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	667.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71857	0.7
57.03434	1.1
59.01375	9.2
60.99300	4.1
61.02942	2.0
61.98818	4.9
67.01890	10.0
69.03436	3.2
70.67484	0.8
71.01378	8.4
71.52334	0.9
72.99292	2.0
73.02939	1.5
75.00850	1.1
81.03448	2.2
83.01376	1.0
83.05023	1.2
85.02938	6.9
87.00869	18.3
87.04523	1.3
89.02420	2.4
93.03455	75.7
94.03777	1.2
99.00852	1.4
99.04516	1.1
101.02438	1.7
105.01945	1.3
108.02168	1.0
109.02930	0.9
111.00869	2.2
111.04520	8.5
111.07721	0.7
113.02422	2.1
116.98781	0.7
117.03485	0.9
119.05019	42.3
120.05355	1.7
121.02961	1.1
127.03984	1.6
129.01921	2.6
133.01437	2.6
133.02911	1.3
133.05061	9.3
135.01221	1.0
135.04489	2.4
137.02457	1.4
145.02934	2.7
155.03445	2.5
161.02426	2.3
163.03999	24.0
164.04311	1.1
173.00896	1.3
173.04523	15.8
185.11777	1.2
191.05609	65.7
192.06003	1.5
337.09235	4.4
505.18491	2.6
604.21619	1.1
623.36285	3.8
667.26050	100.0
668.26343	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	668.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04964	0.4
54.34187	0.4
55.01862	1.1
56.44345	0.3
59.01372	1.3
61.98827	28.8
65.44361	0.3
68.15144	0.3
71.01364	0.7
71.08788	0.4
73.44345	0.4
81.63215	0.3
83.01383	34.6
84.01707	0.6
85.02975	0.4
88.31233	0.3
89.02416	0.4
96.96027	0.5
98.19875	1.4
106.42925	0.3
109.02975	0.4
109.45303	0.3
119.05006	0.6
121.02945	4.3
122.03748	7.2
123.04534	3.6
132.62099	0.4
133.03000	0.5
135.04501	0.9
136.01639	0.4
136.05348	1.8
137.02409	0.8
137.06075	6.8
146.03685	0.5
147.04524	2.9
149.02419	0.7
149.06131	0.4
151.03989	0.5
154.02763	0.4
161.02426	1.2
161.06076	1.6
162.06821	1.1
163.03964	0.4
168.04236	0.5
177.01913	0.5
191.07152	0.5
209.08189	2.1
218.43704	0.4
221.08160	3.5
230.44298	0.4
298.12247	0.5
313.14383	1.4
333.10132	0.4
342.10995	5.1
357.13391	100.0
358.13721	11.8
501.17264	1.2
507.18890	0.5
512.04620	0.4
519.18726	0.5
561.19934	3.3
562.20184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
61.98826	100.0
69.22101	0.5
69.22511	1.4
71.01375	0.5
75.00262	0.2
107.16714	0.2
108.02219	0.4
111.01721	0.2
113.02434	0.3
119.03472	0.2
119.05024	0.8
121.02954	0.8
122.03715	0.3
133.02972	0.7
135.04533	0.5
136.01654	11.7
137.02344	0.4
138.74617	0.2
151.03998	20.7
152.04356	0.7
154.78839	0.2
161.02440	2.0
163.04001	0.6
164.04227	0.2
175.07748	0.3
177.01976	0.6
177.05586	0.2
179.03473	0.5
186.04919	0.2
221.48567	0.2
342.10977	1.3
357.13400	28.9
358.13736	3.0
455.23599	0.2
511.83136	0.2
596.74640	0.2
605.22308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85694	0.3
58.76041	0.3
61.98825	100.0
62.46835	0.3
62.98542	0.4
65.31783	0.3
70.17961	1.3
71.00263	0.3
93.11549	0.3
108.58115	0.3
122.18119	0.3
125.09724	0.4
127.47929	0.3
157.79828	0.3
164.75403	0.3
171.10228	1.7
172.10674	0.4
231.95819	0.4
236.84007	0.4
277.21738	0.6
304.64490	0.3
405.02725	0.4
529.22931	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
67.01878	0.3
69.85268	1.0
71.01371	0.9
73.02902	0.2
75.20590	0.2
81.03433	0.2
83.05021	0.3
85.02946	5.3
87.00873	1.2
89.02459	0.4
93.03449	2.4
96.15738	0.2
98.20558	0.3
99.04533	0.4
101.06033	0.2
109.02939	0.6
111.04509	0.8
127.04003	1.4
131.93904	0.2
133.02937	0.5
135.04518	0.9
143.03487	0.3
153.02034	0.2
160.23526	0.2
161.02437	1.6
166.20573	0.2
171.02893	0.3
173.04578	1.1
179.03484	0.8
191.05598	100.0
192.05925	3.2
227.52994	0.2
353.08704	14.0
354.08908	1.4
392.40778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.0
61.98837	4.1
71.01379	7.4
71.29708	0.7
72.99323	1.0
73.02926	1.8
83.01388	2.5
85.02960	1.7
87.00870	1.4
89.02438	2.0
93.86462	0.5
95.01376	1.0
99.00874	0.9
101.02437	4.5
107.05055	0.9
108.02171	100.0
109.02447	3.0
113.02451	3.0
115.85529	0.7
116.92905	0.8
119.05054	3.9
121.02964	1.0
122.03720	1.1
123.04536	3.1
131.03416	0.7
133.02928	1.6
134.03772	2.7
135.04512	9.0
135.54384	0.6
145.02925	2.2
145.28374	0.6
146.03702	1.8
147.04559	3.9
148.05286	1.9
150.03021	0.5
153.05562	1.5
153.42033	0.5
159.04509	2.1
160.05304	1.2
160.49715	0.7
161.02440	4.3
161.06091	1.6
163.04016	2.2
173.02411	4.2
174.03195	11.2
175.04001	1.1
179.03468	1.3
187.03963	1.3
188.04816	2.2
191.03510	5.2
191.07224	0.8
195.08211	0.6
199.09444	0.6
202.02673	2.1
203.03546	0.7
205.08556	0.6
206.02194	1.9
206.05753	0.9
209.05904	0.7
214.02592	1.3
215.03426	1.7
216.04158	0.7
217.05048	3.2
220.03709	0.9
221.06105	1.1
222.06833	0.8
223.07520	1.2
229.05037	2.3
233.06129	1.0
235.05855	1.2
237.05513	2.4
238.04787	1.8
247.03809	0.7
249.05525	1.9
250.06303	2.0
251.07101	2.2
252.07822	0.9
261.05594	0.7
262.06287	1.5
263.07059	3.0
264.07880	1.9
265.04999	3.9
265.08386	1.2
266.05765	1.3
266.08911	0.5
267.06552	4.7
268.07330	0.8
277.05029	2.5
278.05737	0.9
279.06567	6.8
279.10150	2.0
280.07217	1.8
281.08279	1.3
282.08981	3.9
283.09552	1.0
292.07364	1.2
293.04529	4.5
293.08167	2.2
294.05557	1.0
294.08905	9.8
295.06189	1.1
295.09564	1.4
296.10513	0.8
299.57376	0.6
304.07584	0.8
305.04617	3.9
306.04996	0.8
307.05994	1.6
308.06891	7.4
309.07675	3.1
309.10953	0.8
310.08411	0.9
320.06812	3.5
321.07535	2.0
322.08362	2.1
323.05511	3.5
323.09207	14.5
324.09680	3.1
335.09265	3.4
336.09894	1.4
337.07129	1.8
337.10806	0.9
338.07977	5.3
339.08524	2.1
339.12424	1.6
341.10260	4.7
342.10422	0.8
351.12552	1.2
353.10278	84.9
354.10550	9.0
355.11819	1.0
357.13293	2.0
358.13788	2.7
364.09433	1.3
365.06610	1.9
367.11929	3.8
368.12216	0.7
380.08957	4.8
381.09619	1.1
383.11334	3.9
395.11304	43.9
396.11530	4.7
403.23602	1.2
413.12317	0.9
425.12463	4.1
437.11853	0.9
443.13388	2.2
445.24451	1.4
455.13474	4.4
456.14117	0.6
489.18793	0.8
497.14618	1.0
507.18561	0.8
515.15424	1.2
527.13147	0.6
533.16876	2.2
544.23541	0.7
614.82941	0.6
625.30829	1.9
636.18542	0.9
639.20813	29.9
640.21405	6.2
651.20795	20.9
652.21509	4.2
669.21802	9.6
670.21692	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	669.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56635	0.3
59.01378	2.2
63.79197	0.3
65.03946	1.4
67.05525	2.3
69.03438	0.8
70.13507	0.4
71.01385	1.4
71.02638	0.3
71.04986	0.4
72.99300	5.8
75.00860	0.5
85.02944	0.8
85.06580	3.8
87.00867	0.4
87.04051	0.4
87.04500	2.1
89.02440	1.0
99.04501	2.3
101.02432	0.8
101.06075	52.9
102.06413	1.1
111.00895	0.5
111.04506	0.9
113.02442	0.7
115.04002	18.0
116.04329	0.4
119.03448	0.5
121.06615	0.7
129.05566	15.3
130.05922	0.6
139.03990	2.6
141.01967	0.5
145.05074	5.3
147.06604	0.8
165.05556	1.5
173.04468	0.6
179.68196	0.4
183.06621	1.4
191.05591	100.0
192.05984	3.3
209.04549	0.5
221.92116	0.3
229.73656	0.4
250.13367	0.3
279.10800	1.1
331.67157	0.3
345.11725	1.5
353.08585	0.7
389.10809	7.0
390.11523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.1
58.00601	1.0
59.01376	24.4
60.86610	1.1
61.98830	9.5
64.57025	1.1
65.09646	1.0
69.03460	2.6
71.01375	17.5
71.05016	1.3
71.53218	2.0
72.99308	2.7
73.02940	2.9
80.02677	1.5
81.03450	5.0
83.01373	1.7
83.05019	4.6
85.02958	6.6
87.00878	3.1
88.98810	1.1
89.02430	9.2
89.03997	1.5
92.04332	1.1
93.03463	1.7
95.01362	2.1
95.05003	2.7
96.96007	3.2
97.02953	9.5
97.06583	5.1
99.00865	4.3
101.02435	14.9
106.04220	1.9
107.05002	2.8
108.02131	1.4
109.02951	3.1
109.06587	39.0
110.03728	1.9
110.06904	1.7
111.00857	1.3
111.04547	1.6
113.02461	7.0
119.03492	2.7
121.02924	3.5
121.06590	4.3
123.04492	2.1
123.08143	2.9
125.02444	1.2
125.09713	21.4
132.02139	2.6
133.02950	42.9
134.03804	5.6
135.04524	37.4
135.08154	5.7
136.05205	1.7
137.02423	4.0
137.06035	1.3
139.04002	1.8
142.02708	3.6
145.02844	2.1
145.05072	1.3
147.04514	2.3
148.05325	1.3
149.02475	1.2
149.06039	4.0
150.03143	1.8
151.07651	1.6
159.04491	1.4
160.01582	1.2
161.02437	100.0
161.04562	5.1
161.09691	3.1
162.02748	4.0
163.03947	2.3
163.11276	22.5
164.69223	1.1
171.10236	2.6
172.05212	1.7
173.06001	2.6
174.03111	2.4
175.03990	4.0
175.07596	1.3
175.11238	3.3
177.05547	7.5
178.02711	3.1
179.03487	38.7
179.10764	2.3
181.05046	3.6
181.12350	6.5
185.11768	1.5
187.04027	1.6
187.07591	2.6
187.09711	6.7
189.05539	2.3
189.09198	2.8
191.10591	2.2
193.12340	1.7
201.05539	5.5
201.09268	3.0
201.12712	1.2
202.06424	2.7
203.03494	15.2
203.06897	1.9
203.10732	2.3
204.03986	1.1
205.08635	1.3
207.10239	90.8
208.10605	5.3
209.11803	22.0
217.12296	1.5
219.10321	2.7
219.13792	2.3
221.04523	7.4
223.09686	3.6
223.13344	3.1
225.11298	45.9
226.11555	2.3
228.07852	1.9
229.08701	4.7
229.12190	1.5
230.09438	4.1
231.10086	1.7
233.04530	2.1
235.08203	4.3
235.13358	1.6
237.11301	4.1
237.14769	1.4
245.11778	4.0
251.05557	5.4
253.09335	7.7
261.11383	2.6
263.12784	6.3
281.06720	9.7
281.14001	1.5
283.20712	1.5
323.07690	2.2
327.19617	3.6
332.08331	1.1
339.06937	1.5
340.08148	5.6
341.08762	42.1
342.09067	4.5
343.18988	1.3
344.80582	1.1
345.20584	2.4
353.21112	1.6
361.20135	2.3
369.20697	4.4
371.18307	6.0
371.22339	3.2
372.18695	1.3
379.19232	1.7
387.21609	4.4
389.19574	5.7
397.20117	6.7
405.17627	2.8
405.22470	1.9
415.21237	19.2
416.21521	3.2
433.22192	5.7
443.19354	3.4
461.20450	11.0
462.20187	1.8
471.23566	1.6
475.12653	1.5
529.16986	1.7
563.34180	1.5
571.18231	4.9
572.18884	27.6
573.19171	4.6
597.29138	4.0
607.27466	17.8
608.27869	2.8
623.30865	2.7
625.28583	42.2
626.28857	6.2
633.29163	13.2
634.28729	1.5
651.30170	87.7
652.30560	20.0
669.32758	35.2
670.32495	9.1
691.62170	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
57.68368	0.5
59.01369	6.8
61.98825	58.3
71.01380	5.0
71.52227	0.7
73.02927	0.7
75.60071	0.5
85.02940	4.0
88.98805	1.6
89.02442	4.3
95.01395	1.3
101.02425	2.4
105.03445	0.6
113.02435	8.7
113.63848	0.6
117.03442	1.8
119.03485	1.2
119.04978	2.8
132.02129	0.9
133.02948	27.9
134.03242	0.7
135.04506	5.3
145.02995	1.6
161.02426	100.0
162.02803	3.7
179.03474	2.1
220.40993	0.6
256.35828	0.6
313.50589	0.6
472.13080	0.7
607.20282	73.3
608.20557	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	670.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
57.68368	0.5
59.01369	6.8
61.98825	58.3
71.01380	5.0
71.52227	0.7
73.02927	0.7
75.60071	0.5
85.02940	4.0
88.98805	1.6
89.02442	4.3
95.01395	1.3
101.02425	2.4
105.03445	0.6
113.02435	8.7
113.63848	0.6
117.03442	1.8
119.03485	1.2
119.04978	2.8
132.02129	0.9
133.02948	27.9
134.03242	0.7
135.04506	5.3
145.02995	1.6
161.02426	100.0
162.02803	3.7
179.03474	2.1
220.40993	0.6
256.35828	0.6
313.50589	0.6
472.13080	0.7
607.20282	73.3
608.20557	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	671.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61523	0.5
59.01374	4.3
61.98820	1.0
65.03951	1.3
69.19569	3.9
69.19991	1.3
70.51852	0.5
71.01370	2.3
73.02925	1.4
75.00874	0.5
81.03455	0.9
85.02934	1.4
87.00872	0.9
87.45898	0.4
89.02447	1.4
90.29652	0.5
93.03448	1.1
95.01326	0.6
95.18304	0.4
98.88773	0.5
101.02421	2.1
105.03427	0.5
107.04992	0.7
108.02189	1.0
109.02942	2.6
111.00852	1.0
113.02438	1.4
115.00352	0.6
121.02943	0.8
121.06574	0.6
123.04523	8.6
125.02470	0.6
127.74052	0.5
132.02170	1.4
133.02948	15.5
134.03719	0.9
135.04514	26.3
136.01628	1.7
136.04877	0.6
137.02432	100.0
138.02769	3.8
139.04004	2.0
145.05077	0.7
147.04514	0.5
148.05341	0.6
149.02437	3.2
149.06044	1.4
150.03227	8.9
151.03989	14.9
151.05121	1.0
161.02425	50.0
162.02754	2.6
163.04012	1.2
163.06125	1.3
165.05450	0.8
175.03979	1.3
177.05540	2.5
179.03488	13.5
180.03764	0.6
183.06609	1.6
187.19270	0.5
191.03720	0.6
191.05614	1.2
193.04951	0.8
194.63800	0.5
203.03479	3.7
204.03740	0.6
209.04567	0.6
221.04572	1.6
239.05579	1.3
266.27399	0.5
307.10400	0.5
329.39520	0.6
345.11887	0.8
375.18045	0.5
376.59930	0.5
388.47476	0.5
398.09882	0.5
410.55704	0.5
441.13986	2.1
445.13568	1.0
459.15088	1.8
475.12418	0.5
487.14362	3.0
501.15875	5.3
609.18115	1.1
621.18152	29.0
622.18567	4.7
639.19208	11.4
640.19714	1.9
653.20618	6.9
654.21497	1.6
671.21649	8.7
672.22137	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	2.2
57.43563	1.2
58.34022	1.2
59.01370	7.9
61.98817	5.1
65.03959	34.7
68.99804	2.9
69.03458	11.4
71.01371	25.2
73.02931	2.5
80.88965	1.1
81.80885	1.1
85.02937	4.3
89.02443	2.7
93.03455	5.7
95.05009	4.1
99.00848	2.8
101.02451	5.9
101.65056	1.4
103.05551	1.8
106.04207	3.5
109.02866	1.4
113.02429	4.0
115.00356	14.1
119.05010	4.4
121.06577	20.6
122.49894	1.4
127.07672	1.8
128.57808	1.2
133.02939	2.0
135.04475	1.6
137.06090	1.8
139.04004	49.6
139.11264	3.7
140.01244	1.6
151.04001	1.6
161.02414	8.4
162.02759	1.4
165.05548	25.2
179.03426	2.4
183.06612	25.5
183.10236	11.1
197.11693	1.6
209.04520	33.0
225.11465	1.7
227.05664	3.0
229.52678	2.0
327.10660	2.9
345.11905	12.5
389.10907	8.3
509.67773	1.3
511.21762	31.2
512.22070	4.9
523.87451	1.4
555.20740	100.0
556.20984	15.6
608.20129	4.4
635.47491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	0.3
59.01376	3.4
61.98820	2.4
63.82120	0.3
68.60489	0.4
69.28927	1.0
69.29341	1.3
71.01369	0.7
73.02915	0.3
83.05024	0.4
89.02425	0.4
96.72391	0.3
97.28382	0.3
101.02432	0.6
109.06577	1.0
113.02392	0.4
122.06136	1.5
125.09747	0.3
132.04504	0.4
134.06046	0.4
135.04514	0.9
152.07170	2.6
158.02448	0.3
161.02475	1.5
161.04488	0.4
162.02699	0.3
163.11279	1.1
168.81711	0.3
179.03506	0.5
190.05070	1.3
191.10640	0.4
198.09218	2.3
202.08641	0.4
207.10239	3.1
209.11804	4.2
210.12334	0.4
211.13335	0.4
212.05907	0.6
214.08817	0.5
223.08597	0.5
225.06705	0.5
225.11305	2.3
226.07460	1.4
227.12897	0.7
228.09041	3.4
235.08147	0.3
239.11874	11.2
240.12183	1.0
241.09798	65.4
242.10155	4.6
243.11295	1.5
253.09227	0.6
255.11407	1.8
256.12149	39.8
257.12436	2.9
300.11130	7.3
301.11389	0.6
315.13474	100.0
316.13803	8.6
330.15994	0.9
354.15875	0.4
355.12949	6.2
356.13608	1.2
356.43472	0.3
398.15173	0.4
442.39853	0.3
461.20224	0.5
563.22943	0.9
574.19562	0.5
595.25513	3.2
596.25604	0.6
635.30328	0.4
653.31586	1.3
671.32800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	13.2
61.98832	4.6
69.03461	1.2
71.01382	10.8
71.52293	1.1
71.89838	0.8
72.99302	1.2
73.02945	7.8
85.02929	4.5
86.00091	1.1
87.00869	7.2
87.04493	2.4
87.88148	0.9
89.02446	4.3
93.03468	0.9
96.96021	1.1
97.02916	0.9
101.02437	6.8
103.03998	2.2
109.02966	0.9
113.02457	2.6
115.03969	3.0
119.03493	1.5
119.04980	1.4
121.02930	2.2
122.03791	1.1
123.04420	1.2
125.02438	1.2
126.06063	0.7
131.03491	5.2
132.02127	4.2
133.02927	5.1
134.03743	9.3
135.04514	6.0
137.02423	5.6
143.03482	5.3
145.04988	0.9
146.03714	1.9
147.04514	1.0
149.02423	3.5
149.06018	1.9
150.03172	7.7
151.03969	1.8
158.05347	0.8
159.04491	2.5
160.01645	18.3
160.05301	4.4
161.02425	12.7
162.02771	1.3
163.06055	0.9
165.05550	6.1
172.05280	2.6
173.06062	3.1
174.06656	1.3
175.03986	22.6
176.04510	1.1
177.05490	1.3
179.03477	3.5
183.13814	0.9
187.03983	5.4
187.07471	1.3
188.48875	0.8
191.07185	0.9
193.05032	5.8
195.06596	2.2
201.05565	3.9
202.06348	12.3
203.06793	0.9
205.07190	4.8
211.13380	2.9
221.04439	1.5
235.06071	1.1
265.78012	0.8
281.06592	1.0
283.13422	15.5
284.13788	1.5
299.16382	1.0
301.14365	6.3
309.14990	5.3
327.15976	8.2
341.10168	2.6
345.17093	2.5
475.16049	38.3
476.16589	4.2
477.13873	1.2
525.22784	1.2
611.23114	1.9
623.21350	2.9
624.21869	1.3
633.55103	0.9
671.29199	100.0
672.29492	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	671.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01380	14.5
61.98820	1.1
69.56819	1.7
69.57230	2.6
71.01373	8.3
72.78889	0.7
73.02927	1.7
80.02676	2.4
81.03449	3.7
83.01422	1.2
83.05025	7.3
84.02180	1.2
85.02939	2.3
87.00871	1.5
89.02439	2.8
93.03453	2.0
95.01356	1.1
95.05062	1.5
97.02939	7.5
97.06547	1.4
99.00890	1.8
101.02427	7.0
107.05008	0.9
109.06583	28.3
110.03759	2.4
110.06940	1.0
111.04440	0.9
113.02435	3.0
119.03514	0.9
121.06573	3.0
123.08185	1.0
125.06019	1.0
125.09699	3.0
135.04526	0.8
135.08191	4.7
136.05290	1.7
142.02737	1.7
143.03447	1.0
145.05040	1.5
161.04596	2.1
161.09706	2.4
163.11279	21.1
164.11617	1.8
165.12825	3.5
167.07085	1.9
171.10249	3.2
181.12332	3.7
185.11853	2.2
189.09203	1.8
191.10748	1.1
207.10245	72.6
208.10603	5.0
209.11813	100.0
210.12125	6.1
221.11671	1.3
225.11298	30.2
226.11676	1.6
227.12866	14.5
228.13196	0.9
231.10126	1.4
235.08173	3.7
235.13309	1.0
247.13326	1.1
249.11331	2.0
253.09320	9.8
265.14389	1.6
320.66800	0.9
330.27890	0.9
355.22913	1.1
373.23914	0.9
399.21750	5.1
417.22702	5.9
443.18985	3.2
461.20227	10.7
485.19778	1.0
502.16586	1.1
609.18329	0.9
609.28302	1.2
635.30530	10.4
636.31250	3.0
653.31689	14.5
654.32111	2.7
656.51605	0.9
671.32672	26.4
672.33215	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	672.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84129	1.1
61.70018	1.1
69.32335	4.6
69.32764	4.3
73.81125	1.1
83.01367	1.2
104.94960	1.2
107.01381	1.9
133.04877	1.3
147.61205	1.2
148.01653	1.9
151.00372	7.9
154.57111	1.2
163.00375	2.3
178.99846	3.5
196.10889	1.1
202.03404	1.0
220.11978	1.1
227.03432	1.7
240.75981	1.1
243.03036	6.1
255.02969	18.2
271.02457	37.8
272.03088	4.9
300.02731	76.5
301.03439	31.2
302.03726	3.2
313.50977	1.3
576.83679	1.4
609.14587	100.0
610.14777	14.9
679.70844	1.3
689.23016	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42708	0.4
51.45253	0.4
59.01377	4.4
61.98827	17.0
65.00306	0.5
65.19291	0.5
71.01373	6.9
71.51705	0.6
71.52071	0.5
73.02919	1.5
83.01351	0.7
85.02913	1.4
87.00871	0.8
89.02441	5.3
89.03942	0.5
99.00859	0.6
101.02431	2.8
106.50700	0.5
107.01340	0.6
107.05063	0.5
108.02179	0.7
109.02940	1.7
113.02406	1.5
117.03425	0.9
121.02972	0.5
123.04525	1.5
131.03493	2.1
132.02150	1.8
133.02953	30.8
134.03487	0.7
135.04524	18.2
136.04822	0.6
137.02461	0.6
139.04039	0.6
148.01675	0.6
149.04497	1.3
151.00375	4.1
153.05571	1.0
161.02432	100.0
162.02751	5.0
163.00375	0.9
165.05563	0.4
178.99867	1.6
179.03494	9.6
180.03712	0.5
191.05606	2.5
243.02962	2.7
254.02182	0.6
255.02982	8.0
256.03207	0.5
271.02441	17.0
272.03061	1.7
275.36383	0.4
300.02707	36.2
301.03375	8.5
302.03748	0.6
315.10953	1.4
425.10950	0.5
444.03558	0.5
447.15015	5.0
609.18237	79.2
610.18597	12.5
637.18591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55149	0.6
59.01367	2.5
61.98830	16.2
64.03284	0.6
65.44752	0.6
71.01379	2.3
71.06917	1.5
73.02933	2.3
75.00868	1.7
76.11830	0.8
76.89961	0.7
83.05800	0.7
89.02434	1.1
101.02447	1.1
103.00346	0.8
107.09964	0.6
109.02966	1.0
109.99720	0.6
118.08129	0.7
133.02969	3.7
135.04517	3.0
161.02420	10.9
162.02791	1.6
179.03468	4.0
203.03508	1.1
277.21753	1.9
320.62732	0.8
334.12335	2.3
334.62552	1.0
343.12723	1.5
343.63022	1.0
364.98978	0.7
415.65106	1.2
452.10779	1.3
455.17203	1.1
466.16455	1.0
467.13239	1.9
468.11127	1.3
473.18314	1.2
479.17569	1.7
483.13620	1.2
483.20407	3.3
493.18954	2.9
494.19489	0.9
495.12494	1.3
496.13412	1.1
500.17130	1.1
507.16611	1.4
510.15161	8.4
511.16013	2.8
521.18408	2.1
523.15833	3.4
525.18420	3.2
526.14777	13.7
527.14868	4.1
534.19556	1.3
537.17828	1.4
538.18286	2.6
539.19000	1.0
542.13745	1.7
542.70276	2.0
550.14673	1.0
565.17139	1.2
569.16772	10.1
570.17242	2.8
582.17981	1.3
597.20520	1.1
599.17950	2.3
641.18976	6.1
642.19464	0.9
663.81439	1.1
664.30597	1.2
668.63666	0.8
672.81183	7.7
673.21460	100.0
673.30750	3.7
673.81421	0.9
674.21722	27.1
674.30780	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01372	1.2
69.03454	0.2
71.01373	0.9
71.51282	0.3
71.51624	0.2
73.02956	0.2
81.03441	0.2
83.05045	0.3
85.02947	5.1
87.00883	1.3
89.02460	0.5
93.03448	2.0
99.04506	0.3
101.02435	0.2
101.06076	0.2
109.02935	0.4
111.04504	0.8
113.02440	0.2
127.04004	1.2
133.02951	0.6
135.04497	0.8
161.02443	1.7
171.03023	0.4
173.04547	1.1
179.03439	1.0
179.05699	0.2
191.05595	100.0
192.05965	3.4
195.92296	0.2
353.08722	15.6
354.09125	1.8
410.76834	0.2
575.81726	0.2
640.62939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09444	0.4
50.62923	0.5
55.01872	0.6
58.00611	0.5
59.01374	4.5
65.03962	32.0
66.04288	0.6
66.59780	0.5
67.01889	0.6
68.99808	2.1
69.03455	8.3
69.48395	3.7
71.01378	20.3
73.02933	1.2
75.00861	0.5
76.48167	0.4
81.03429	1.0
83.01381	0.9
85.02926	1.9
87.00878	1.2
89.02434	1.8
91.05540	0.9
93.03459	4.9
95.01357	0.6
95.05013	2.8
99.00868	2.1
101.02447	3.9
103.05500	0.7
106.04233	1.6
107.05006	1.8
113.02443	2.7
115.00375	12.7
118.69337	0.4
119.03488	0.7
119.05043	4.1
121.02970	0.9
121.06593	19.8
122.06908	0.7
123.04491	0.6
133.45369	0.5
137.06020	0.8
139.04010	48.7
139.11287	0.5
140.04312	1.7
141.12851	1.0
147.04514	1.0
159.16089	0.5
161.04503	0.9
165.05560	24.5
166.05887	1.4
171.13884	1.6
175.03955	0.7
183.06616	20.5
184.06889	1.1
185.11813	18.7
186.12276	0.6
199.13383	3.9
207.06665	0.5
209.04547	32.9
209.11716	1.3
210.04871	1.5
227.05556	2.2
227.12915	2.5
295.80698	0.5
327.10797	2.0
345.11896	8.4
371.09500	0.7
389.10770	4.3
476.16461	0.7
513.23358	26.5
514.23700	3.3
557.22339	100.0
558.22644	17.2
620.94635	0.6
673.24182	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
58.00571	0.6
59.01377	4.3
61.98817	0.7
65.03960	28.7
66.04295	0.4
67.90343	0.4
68.99797	2.2
69.03450	8.1
70.83116	0.8
71.01379	21.6
72.41399	0.4
73.02937	1.4
75.00860	0.5
81.03436	0.9
83.01380	0.6
85.02937	2.3
87.00869	0.8
89.02427	2.0
91.05513	0.7
93.03462	5.0
95.01354	0.5
95.05002	3.5
96.95974	0.4
99.00880	2.1
99.81174	0.4
101.02438	3.9
103.05514	1.1
106.04238	1.6
107.05018	1.0
109.06593	0.7
113.02446	3.1
115.00367	12.4
119.03480	0.8
119.05037	3.3
121.02972	0.5
121.06590	17.1
122.06928	0.7
123.11872	0.4
133.01431	0.6
135.04401	0.5
137.06076	0.9
139.04004	45.6
139.07631	0.9
140.04337	1.3
141.12828	0.9
147.04454	1.1
160.01659	0.6
161.04523	1.0
163.04005	0.7
163.07683	0.7
165.05554	23.9
166.05881	1.3
171.13933	2.4
175.03970	0.6
181.04822	0.5
182.63997	0.4
183.06601	21.1
184.06938	0.9
185.11807	15.7
186.12175	1.1
199.13364	4.8
207.06532	0.7
209.04535	31.1
209.11745	1.0
210.04842	1.4
227.05630	2.0
227.12877	2.8
300.70508	0.4
301.12686	0.5
327.10764	2.3
329.87161	0.4
337.84045	0.4
345.11835	8.1
346.12186	1.0
347.28012	0.4
371.09698	1.1
389.10831	5.0
417.18170	0.7
476.16675	0.6
477.16510	1.2
513.23370	25.5
514.23560	4.0
557.22327	100.0
558.22662	17.4
558.30084	0.3
673.23438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.0
61.98828	36.7
65.03950	1.4
70.53489	3.0
71.01378	9.3
72.99302	1.8
73.02911	2.2
83.01344	1.4
85.02934	2.1
87.00876	1.7
89.02443	4.8
92.74766	1.0
93.03439	1.0
95.01385	1.5
96.95998	4.5
98.95605	1.0
99.00847	1.5
101.02454	6.0
108.02177	5.7
109.06571	1.1
111.04525	1.8
113.02415	4.2
114.34806	0.9
116.92890	1.0
117.03458	1.5
119.03521	1.3
119.05011	2.6
121.02941	1.2
121.06628	1.6
122.06125	1.2
123.04548	4.8
125.02415	1.4
133.06573	2.0
135.04460	2.6
139.03937	1.5
145.02977	6.5
146.03731	3.3
147.04468	2.9
148.05212	2.6
149.06039	2.0
151.03893	1.6
152.07100	1.3
157.08705	1.2
158.03673	1.1
159.04474	3.7
161.02438	3.1
161.04669	1.0
161.06020	1.5
165.05499	1.5
173.02399	4.6
174.03203	23.2
175.03883	2.2
179.03506	1.4
187.03975	1.8
188.04759	2.9
189.05537	2.1
191.03438	1.3
191.05550	1.2
193.05023	1.6
193.06581	1.3
201.01820	1.9
202.02704	4.8
206.02130	3.7
209.11737	6.2
214.02718	2.0
215.03453	5.1
217.05016	8.5
219.86865	0.9
220.03632	1.8
221.06050	3.0
222.06656	1.1
223.07622	2.6
227.12967	1.2
229.05139	5.6
230.05376	1.0
233.06128	2.3
235.07793	1.5
237.05518	4.0
239.07158	1.3
248.04744	2.1
249.05600	6.5
250.06244	1.5
251.07144	5.9
261.05609	1.9
262.06253	2.8
263.07019	2.3
264.07773	2.8
265.05038	8.1
265.07687	1.4
265.08551	1.1
265.65222	1.1
266.05707	1.9
267.06598	8.2
268.07278	1.5
276.04224	1.2
277.05005	7.3
277.08063	1.5
278.05753	2.0
279.06555	10.3
279.10159	3.2
280.07092	2.3
281.08087	1.9
282.08939	5.9
283.09293	1.1
289.04962	2.6
290.05856	1.4
292.07291	2.4
293.04498	10.0
293.07828	2.2
294.05313	3.0
294.08890	19.1
295.08987	1.6
297.11285	2.4
301.11890	1.2
303.06601	1.1
304.07367	2.0
305.04593	7.4
305.07806	1.8
306.04971	1.2
307.05951	1.8
308.06821	19.5
309.07532	4.6
309.11151	2.0
310.08310	1.4
320.06836	8.5
321.07425	1.8
322.08517	1.5
323.05707	3.0
323.09195	38.9
324.09546	3.5
326.07706	1.9
335.09210	4.4
338.07849	6.2
339.08463	1.8
341.10324	6.4
353.10284	62.6
354.10562	6.6
357.13498	1.6
375.20248	2.8
420.25348	1.1
445.15027	2.3
493.18665	1.3
511.36182	2.5
537.19489	3.0
557.22229	2.8
625.19971	2.0
640.21771	3.0
641.26190	1.7
643.23895	79.2
644.24109	12.5
655.23914	100.0
656.24249	19.1
673.24878	39.0
674.25452	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.7
69.53548	2.8
80.05055	7.3
81.30759	0.5
94.06619	3.2
96.96010	0.4
98.19908	0.7
104.05057	2.8
106.06615	4.2
107.03758	7.9
108.04581	1.0
108.08235	0.5
120.04545	1.7
120.08174	1.1
121.05344	1.2
122.06112	46.3
123.06454	1.3
124.07680	1.1
130.06644	1.4
132.04538	1.8
134.06117	12.8
135.08121	0.9
136.07640	2.1
139.02750	1.3
146.06113	1.7
148.04033	2.4
148.07628	0.6
150.05588	1.3
152.07159	59.5
153.07509	1.6
158.02426	0.6
160.03979	1.5
160.06389	2.5
160.07585	0.8
161.04828	0.8
162.05566	0.6
164.07147	0.8
173.04816	1.0
174.05579	3.9
180.05214	0.5
180.06577	2.6
186.05600	1.2
188.07172	6.5
190.05122	2.5
197.07164	0.6
198.12950	0.5
209.11763	1.0
210.07791	0.5
211.08730	2.0
213.10294	11.3
214.10631	0.8
223.08714	1.0
223.12357	0.8
224.09438	0.7
225.10301	4.3
226.11014	2.3
227.01256	0.4
227.12071	1.3
232.89494	0.4
235.08748	1.1
237.06631	0.5
237.10268	2.7
238.07397	0.7
238.10887	0.6
239.08357	0.7
239.09123	0.6
239.11868	11.6
240.12288	0.8
241.13458	7.8
242.13748	0.6
245.12891	7.5
246.13094	0.8
249.06717	1.3
249.10284	1.6
250.07472	3.2
250.09694	0.6
251.08168	3.1
251.11867	3.5
251.23952	0.4
252.08972	2.2
253.09793	5.6
254.10649	0.5
263.08203	1.2
263.11908	0.7
264.08939	1.9
265.06564	0.8
265.09747	7.3
266.10477	1.9
267.11310	3.9
269.12933	0.8
277.07214	0.5
277.09772	3.3
278.06934	4.0
278.10486	2.4
279.07648	6.3
279.11301	3.1
280.08185	1.1
285.12424	24.5
286.12735	2.2
289.09946	0.6
291.07767	1.0
291.11176	1.0
292.08401	1.7
293.09290	15.9
293.12933	7.8
294.10071	5.5
294.13205	1.1
295.10843	15.7
296.11307	1.3
297.12347	0.7
298.09579	0.4
305.09201	0.8
306.09915	2.1
307.10794	5.7
309.12338	2.1
311.10278	0.5
313.11865	3.2
316.14523	1.2
321.08783	0.5
321.12509	0.7
323.10287	6.6
324.10736	0.9
325.11935	2.7
326.12787	0.6
328.10864	1.3
332.17526	0.5
337.08270	8.7
338.08850	1.9
339.09714	2.1
339.13489	0.9
340.10785	0.6
340.14474	0.9
341.11658	0.5
342.12344	1.4
343.13202	0.9
344.13852	0.7
351.09607	1.6
353.11301	0.4
355.12872	2.4
356.13782	0.9
356.17477	0.8
357.14761	1.8
358.15512	7.6
359.16135	1.0
360.17480	0.7
369.14587	0.8
370.11917	1.3
371.12598	0.6
372.17151	0.7
382.15475	0.9
384.13422	1.9
384.17657	0.5
385.14224	1.4
386.14502	0.5
396.13156	0.5
397.14212	0.7
398.14807	0.9
399.15771	0.7
400.16632	8.9
401.16589	2.2
412.16660	3.9
414.18228	0.6
416.16315	1.0
417.17020	1.8
418.17477	1.2
430.13678	1.1
431.18295	1.2
432.19269	3.5
442.17664	0.9
444.15674	1.4
458.17212	1.5
459.17828	4.3
460.18762	9.7
461.18893	1.4
462.16455	0.8
463.17313	1.2
468.15216	0.7
473.15677	0.5
474.20605	3.9
475.20834	0.8
476.18088	2.7
477.18744	0.7
486.16595	1.8
493.22668	0.6
497.25607	0.8
503.16727	2.8
504.17654	18.1
505.17859	2.6
518.19196	15.0
519.19592	2.7
521.24927	0.4
523.23334	2.7
524.24231	0.7
536.20508	3.3
537.25299	0.6
550.21887	15.0
551.22211	2.4
565.24481	51.0
566.24817	10.5
597.27106	8.3
598.27429	1.5
609.23431	29.1
610.23724	5.3
639.76642	0.5
641.26099	100.0
642.26428	22.1
673.28674	25.9
673.38605	0.7
674.28967	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	673.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.1
59.69205	1.5
61.98828	9.7
65.36394	1.3
71.01369	6.5
80.05045	8.0
82.14034	1.5
83.01385	2.1
83.05025	2.9
85.02936	1.9
87.00916	1.7
89.02413	2.3
94.06634	3.0
96.95980	9.2
101.02430	3.4
104.05038	4.3
106.06615	4.6
107.03756	8.7
113.02467	2.3
116.30049	1.6
120.04531	2.3
121.02989	1.7
122.06110	71.2
123.06496	2.6
132.04492	2.5
134.06143	17.2
135.08218	1.6
136.07675	1.6
139.02773	1.8
148.04033	3.3
150.05470	1.9
150.15002	2.0
152.07161	95.3
153.07471	3.2
160.04054	3.1
160.06325	2.2
161.02417	3.4
163.11436	1.6
165.12732	1.8
171.10309	2.3
174.05537	2.3
180.06642	3.2
188.07166	7.5
199.13358	4.5
209.11792	37.5
210.12180	2.9
211.08713	4.0
213.10201	12.0
223.08710	2.7
224.09282	1.6
225.10251	6.2
226.11154	3.6
227.12901	19.1
228.99475	1.9
235.08440	1.7
237.10291	4.2
238.07434	3.4
239.11862	19.3
241.13406	8.2
245.12872	8.9
249.10309	1.9
250.07440	3.1
250.10977	2.2
251.08163	3.7
251.11813	5.2
252.08990	4.6
253.09688	13.6
265.09772	6.7
266.10263	2.0
267.11349	4.3
277.09763	4.4
278.06946	4.1
278.10471	2.7
279.07690	8.1
279.11121	3.8
280.08548	1.8
285.12381	24.4
286.12833	2.2
292.08694	1.7
293.09332	18.4
293.12912	4.5
294.09860	10.1
295.10834	24.0
306.09970	2.3
307.10782	9.9
309.12323	3.3
312.11057	1.9
313.12027	6.2
323.10464	4.6
325.11911	4.9
326.12512	2.0
328.10898	1.6
337.08334	10.2
338.09036	2.6
339.09839	3.5
340.14664	2.1
342.12335	3.0
344.13910	2.4
355.12933	4.6
356.17767	2.8
357.13620	4.6
358.15543	12.1
359.16156	3.6
384.13272	3.6
399.15747	2.5
400.16641	16.8
401.16998	3.3
412.16895	2.8
417.16742	4.9
419.18289	2.7
430.14127	3.4
431.18185	2.4
432.19278	7.1
444.15247	2.0
459.18063	7.6
460.18701	12.7
462.16595	3.6
463.17188	8.5
474.20438	5.1
476.18030	3.5
478.19812	5.5
497.25659	2.4
503.17181	4.5
504.17517	13.8
505.18127	3.0
518.19348	18.6
519.19513	2.3
521.25305	3.2
523.23358	5.5
536.20361	11.6
550.21918	34.5
551.22382	5.3
565.24573	48.1
566.24890	9.8
568.23694	1.9
597.26642	6.0
606.34344	1.8
609.23541	49.0
610.23755	9.3
639.70337	1.8
641.26099	74.9
642.26379	17.3
673.28827	100.0
673.40845	5.5
674.29315	19.2
693.87158	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	673.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15767	0.6
54.53373	0.5
55.01862	1.3
57.03435	0.9
58.00584	3.2
59.01375	64.0
60.01706	0.9
61.98830	6.3
65.03951	1.9
69.03445	1.5
69.31448	5.2
71.01377	52.5
72.99303	4.4
73.02956	4.2
81.03452	1.0
83.01402	3.0
85.02946	11.8
87.00863	3.6
89.02438	47.2
90.02792	0.7
93.03486	0.9
95.01381	4.6
96.95989	1.4
98.19935	1.3
99.00872	1.9
101.02437	34.6
107.05034	2.0
108.02168	12.6
109.02963	0.8
113.02443	26.3
114.02753	0.7
115.00359	1.1
119.02667	1.3
119.03497	23.0
120.38239	0.6
121.06534	1.0
122.06129	0.7
123.04500	1.6
125.02441	1.4
131.03485	2.4
133.02960	1.3
134.03706	2.8
135.04521	17.0
136.01743	0.8
139.03999	2.0
143.03508	5.3
149.04530	1.9
151.03984	0.9
153.05557	4.5
159.54131	0.7
160.01617	0.7
160.02910	0.7
161.02467	5.6
161.04509	6.0
162.02834	0.7
165.05542	1.5
169.64603	0.6
179.03658	1.1
179.05600	7.5
179.10649	0.7
183.06656	1.0
195.13893	14.6
196.14278	0.9
196.26985	0.6
209.04480	0.7
209.11819	2.4
209.15530	2.0
213.14957	6.3
237.14934	1.7
257.12888	1.7
297.09851	1.0
301.12003	0.8
315.10825	46.2
316.11157	3.4
357.19162	15.8
358.19363	1.7
375.20187	100.0
376.20529	10.1
399.20355	3.9
400.20587	0.8
417.21216	1.5
443.12930	1.3
464.13004	1.5
464.63538	0.6
494.14621	1.4
494.64694	0.9
511.36057	1.0
528.65375	0.7
557.22107	1.1
655.22803	1.0
673.22675	4.0
673.32959	5.6
674.31549	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.2
59.01373	2.1
61.98830	0.3
67.68433	0.1
69.03451	0.1
71.01376	1.7
71.05022	0.2
72.99325	0.1
73.02940	0.3
80.02669	1.1
80.16197	0.1
81.03447	1.2
83.01388	0.5
83.05022	4.6
84.02153	0.8
85.02950	0.5
87.00875	0.4
89.02438	1.0
93.03406	0.2
95.01357	0.1
95.05016	0.6
97.06561	0.2
101.02441	1.3
109.06596	0.3
113.02447	0.9
119.03495	0.3
125.06042	0.5
125.09690	0.3
135.08139	0.5
143.03569	0.1
145.05067	0.2
147.11839	0.1
149.09685	0.2
161.04556	0.8
163.11279	3.9
164.11520	0.2
165.12848	2.2
171.10252	1.7
179.05534	0.2
181.12303	0.5
191.10799	1.0
202.29056	0.1
209.11806	100.0
210.12143	6.0
221.11803	0.3
223.13411	0.2
227.12860	13.3
228.13214	0.7
229.14372	0.1
235.08209	1.4
247.13367	0.9
249.14865	0.1
251.12663	0.1
253.09265	5.6
254.09648	0.3
265.14383	0.4
311.22263	0.2
371.24673	0.1
375.21530	0.1
383.22644	0.1
401.23141	0.2
419.24261	0.1
438.66748	0.1
445.20920	0.9
463.21878	0.2
470.41742	0.1
611.30811	0.3
637.32202	0.6
655.33600	0.4
673.24103	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22501	0.1
57.03469	0.2
59.01368	0.8
61.98828	100.0
67.01892	0.4
71.01394	0.7
71.51756	0.2
85.02936	0.7
87.00874	1.1
89.02455	0.4
93.03455	3.5
99.00885	0.2
99.04532	0.2
101.02421	0.2
106.31588	0.2
109.02962	0.3
111.00892	0.2
111.04533	0.5
113.02454	0.2
115.00396	0.3
117.03435	0.2
119.03493	0.2
119.05029	1.0
121.06610	0.2
123.04554	0.3
133.02951	1.8
135.04533	0.7
137.02498	0.2
139.04057	0.2
145.02980	0.7
147.04558	0.4
149.06076	0.3
151.04007	0.4
161.02438	5.7
161.03770	0.3
163.03993	1.1
165.05687	0.2
172.32341	0.1
173.04549	1.3
175.03946	0.3
177.01981	0.7
179.03542	0.5
183.06694	0.6
191.05602	17.7
212.70554	0.1
233.04572	0.5
277.03452	1.1
284.24713	0.2
319.04602	0.6
327.11023	0.9
337.09235	7.1
423.56381	0.1
449.14597	0.5
453.17435	0.2
459.15369	0.5
490.48584	0.2
619.17615	0.2
621.18048	0.2
638.20911	0.5
639.19183	1.5
674.20428	0.5
675.20850	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	674.9925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	52.8
61.98830	1.0
69.14771	1.5
69.15187	1.2
83.32891	0.3
90.97130	1.3
105.95889	0.3
118.96671	0.7
132.98201	1.4
157.03505	0.3
174.99234	24.9
175.99483	0.3
192.95830	1.1
201.02525	3.8
202.02710	0.3
217.00278	100.0
218.00630	3.3
327.81033	0.3
359.01425	11.1
360.01700	1.2
374.99179	67.4
375.99588	3.6
390.47913	0.3
478.58313	0.3
517.00079	1.9
532.98096	16.2
533.98114	1.4
597.90869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.4
59.01382	1.8
60.99294	0.7
61.98821	1.1
65.03957	0.4
67.01878	2.6
69.03466	0.5
69.27499	0.3
69.67527	0.9
69.67940	1.0
70.22169	0.3
71.01387	2.6
73.02978	0.4
81.03469	0.7
83.05022	0.4
85.02937	5.2
87.00873	5.2
89.02437	0.8
92.54982	0.3
93.03454	18.9
94.03793	0.7
99.00883	0.8
99.04523	0.5
101.02441	1.0
107.05009	0.7
108.02187	0.4
109.02947	0.7
111.04513	2.8
113.02439	0.9
115.54378	0.3
117.03420	0.6
119.05016	5.1
121.03014	0.3
123.04516	1.7
127.04010	1.3
129.01939	0.9
133.02946	3.1
135.04512	1.6
137.02437	0.7
139.04013	0.4
145.02975	3.2
149.02492	0.3
150.03233	0.4
151.03979	2.3
155.03482	0.9
157.08734	0.4
161.02438	8.5
161.04512	0.7
162.02794	0.4
163.03996	7.3
173.04529	10.2
179.03461	1.3
183.06548	0.4
191.05597	100.0
192.05983	3.6
203.03430	0.3
230.79686	0.3
319.13968	0.7
337.09253	26.8
338.09723	2.3
353.08502	1.4
428.64307	0.3
453.17682	7.4
453.24008	0.5
454.18066	1.0
459.14883	2.6
477.13712	0.6
479.64584	0.3
621.17877	0.9
639.19293	4.3
640.19788	1.0
673.36359	0.3
675.19312	3.7
676.20020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02788	0.6
58.00593	1.1
59.01375	43.6
69.20036	2.5
69.20461	3.5
71.01376	25.3
72.99291	1.6
73.02924	0.9
80.95820	0.6
81.03405	1.0
83.01398	0.9
85.02929	5.1
87.00865	1.4
89.02438	36.7
95.01357	1.1
101.02423	14.0
107.05032	1.7
109.06580	5.9
113.02442	12.3
119.03489	13.5
125.05991	0.6
131.03494	1.2
139.03947	0.6
143.03435	2.4
143.04463	0.7
149.04567	1.1
153.05560	46.7
154.05887	2.4
161.04521	2.3
179.05574	12.5
191.05597	1.6
238.98503	0.6
333.11871	100.0
334.12180	7.0
436.72867	0.8
549.90625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26852	0.8
59.01109	0.7
59.01379	7.3
61.21608	0.6
61.98805	3.2
69.68144	1.6
69.68566	3.5
71.01382	1.6
71.63887	0.7
73.02903	0.8
80.05035	3.5
83.01379	1.5
83.05010	1.8
89.02433	1.5
93.03465	0.8
94.02946	1.7
94.06602	2.2
95.05099	0.7
96.95981	1.0
97.02901	0.8
98.02466	4.6
101.02462	1.8
104.05032	1.1
106.06602	1.6
107.03749	5.7
108.04535	2.2
109.02917	0.9
110.02486	7.5
111.04516	9.4
120.04543	1.9
120.08184	7.6
121.05280	1.1
122.06113	29.4
123.04578	0.9
123.06399	1.0
124.04005	1.5
124.07610	1.1
126.05621	1.1
130.06607	1.2
132.04504	1.6
134.06094	3.5
135.04526	0.9
136.04007	4.5
136.07611	0.7
137.04810	1.1
138.01936	0.8
138.05606	1.4
139.02713	1.4
147.05624	1.8
148.04002	1.3
149.02274	0.8
150.05603	11.4
151.02718	1.0
152.03560	6.2
152.07155	40.0
153.07491	1.5
154.05043	2.4
158.02412	1.5
160.04008	2.1
161.02342	1.1
161.04759	2.0
162.05568	2.8
164.07129	0.9
168.06622	1.1
174.05579	4.8
175.05070	2.1
190.05058	3.3
201.10313	7.5
209.11832	1.6
211.08716	1.5
211.12375	0.9
213.10307	4.9
221.10823	0.8
223.08717	2.0
224.09436	1.6
225.10217	1.5
227.11816	5.3
229.09805	8.9
229.13316	4.6
237.10219	3.0
239.11777	3.3
241.09767	2.0
243.11140	0.9
245.12886	2.5
249.06679	0.8
250.07378	1.1
251.08159	0.8
251.11848	1.1
253.09702	1.1
255.11343	10.8
257.12912	3.3
264.09183	0.8
265.09891	4.1
267.11227	2.3
273.12527	3.5
277.09750	1.5
278.10428	1.1
279.11285	2.7
281.06479	1.0
281.12930	4.7
283.10788	2.0
293.12836	1.2
295.10831	4.0
297.12277	1.7
301.11926	19.3
302.12244	1.5
307.11002	1.1
313.11951	2.3
314.12616	0.8
317.11588	1.0
319.12961	13.4
320.13339	2.0
323.10233	2.7
325.11844	7.3
326.12543	1.5
330.12585	1.8
341.11307	1.2
342.12488	1.1
344.14059	0.9
346.15576	1.0
355.12973	7.4
356.13663	1.9
358.11716	1.9
358.15778	1.4
359.12619	1.6
372.13245	3.4
372.17398	1.2
373.14240	2.4
374.15051	7.7
375.15271	1.5
386.11319	2.2
388.16705	7.8
389.17337	1.2
392.16110	2.2
400.12958	3.9
401.13568	1.7
416.16119	16.9
417.16348	2.8
428.16064	1.2
430.17505	0.9
434.17032	2.0
490.19550	1.1
537.25116	0.9
539.23022	3.1
550.80048	0.8
555.26093	1.7
557.23895	7.9
558.24011	2.0
581.24072	9.0
582.24310	1.8
599.25006	22.6
600.25476	4.7
601.22943	1.2
602.23718	2.4
625.22937	6.5
626.23474	1.7
631.27325	1.6
639.20667	1.1
643.23993	51.3
644.24323	9.6
657.25586	2.3
675.26556	100.0
676.26874	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	675.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24071	0.8
57.54760	0.8
59.01380	8.0
59.55380	0.8
60.33889	0.8
71.01366	2.0
71.53550	1.4
80.05039	3.5
81.03416	1.2
83.04993	1.2
83.42040	1.1
89.02402	1.3
89.99796	0.8
94.02968	1.8
94.06592	2.5
94.16087	0.8
98.02465	3.7
103.52515	1.0
104.05038	1.8
106.06578	3.1
107.03764	5.1
108.04536	2.1
110.02467	8.3
111.04504	10.6
113.02507	1.1
119.03463	0.9
120.04546	1.2
120.08168	8.6
122.06121	27.3
123.04528	2.1
124.04051	1.2
130.06584	1.1
132.04518	2.4
134.06104	4.6
135.03197	1.0
135.04497	1.3
136.04054	4.4
137.02403	1.0
137.04791	1.4
138.01930	1.0
138.05553	2.0
139.02763	1.5
147.05652	1.7
148.04056	2.1
150.05602	11.1
152.03539	6.4
152.07158	41.6
153.04269	1.7
153.07486	0.8
154.05042	2.5
160.04002	2.5
161.02382	2.2
161.04701	2.2
161.25922	0.8
162.05542	3.5
168.06647	1.3
169.69307	0.8
174.05566	3.9
175.05093	1.6
175.08722	0.9
175.68364	0.9
179.03499	1.4
186.05664	1.0
186.12836	1.2
190.05061	3.7
201.10298	6.2
209.11670	1.2
211.08653	1.5
213.10239	3.4
214.08911	0.8
223.08662	1.6
224.09488	1.6
225.10320	1.5
227.11830	4.3
229.09825	11.8
229.13318	5.5
237.10312	2.7
239.11914	4.0
241.09866	1.6
245.12926	2.6
253.09578	0.9
255.11386	12.1
256.11716	1.0
257.12875	4.1
263.08099	0.8
264.08871	1.3
265.09775	4.3
267.11215	2.2
273.12445	3.2
275.08109	0.9
279.11258	2.7
280.11746	0.8
281.12836	3.8
283.10754	1.2
293.09302	1.0
293.12717	1.3
295.10788	4.6
297.12323	1.1
301.11893	20.9
302.12115	1.3
309.12628	1.4
313.11969	3.9
319.12985	13.9
320.13663	1.1
323.10236	3.8
325.11838	7.8
326.12909	1.1
330.04840	1.1
335.09912	1.2
341.11310	1.2
342.12430	1.1
345.15091	1.1
355.12997	8.4
356.13678	1.4
358.11975	2.4
359.12799	1.3
372.13425	2.6
373.14117	2.8
374.14859	7.7
375.15408	1.5
386.11182	2.0
386.15607	1.2
388.16620	8.2
392.16095	2.6
400.13058	3.8
401.13718	2.4
415.15277	2.0
416.10886	1.5
416.16095	16.6
417.16336	2.5
418.14127	1.0
428.15866	1.0
432.71863	0.9
434.17184	1.3
531.25934	1.1
539.23108	1.9
553.25061	1.1
555.26251	2.1
557.24060	9.2
558.24316	2.5
571.25769	1.0
575.24933	1.7
581.23895	10.7
582.24219	1.2
599.25153	24.5
600.25500	4.0
601.22943	2.1
602.23389	2.3
625.23059	6.5
626.23737	1.1
631.27783	2.0
643.24030	50.8
644.24115	11.2
657.25568	3.4
675.26611	100.0
676.26880	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	675.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
56.19884	0.2
57.03450	1.2
57.50329	0.2
58.00594	2.0
59.01376	52.0
60.01718	0.3
60.99260	0.2
61.98822	0.9
62.99100	0.2
67.01884	0.4
68.99816	0.3
69.03445	2.1
71.01376	40.5
72.01710	0.7
72.99311	3.1
73.02940	7.2
75.00878	1.0
77.45676	0.2
81.03450	1.8
83.01379	4.4
83.05037	0.5
85.02943	9.4
87.00336	0.5
87.00872	10.0
87.04472	0.3
89.02439	35.8
90.02779	0.5
91.04000	0.6
93.03448	0.6
95.01382	3.2
95.05022	0.6
97.02946	7.1
98.03285	0.2
99.00880	2.4
99.04498	0.7
101.02434	33.9
102.02802	0.6
103.00359	0.4
103.02353	0.2
103.03951	0.4
109.02960	0.8
110.03268	0.3
111.00874	0.7
111.04499	1.1
113.02441	15.4
114.02810	0.4
115.04031	0.8
119.03491	11.1
120.03844	0.3
121.02990	0.5
123.00864	0.4
124.01684	0.5
125.02435	14.3
126.02803	0.3
127.03997	0.6
127.07674	0.3
127.95544	0.2
129.01945	0.3
131.03491	1.8
133.05080	1.3
137.02444	0.5
139.03989	1.0
141.01929	1.0
141.05592	0.2
143.03493	6.4
149.02519	0.3
149.04518	1.2
151.03908	0.3
153.05605	0.2
157.05052	0.2
161.04541	7.7
163.03995	0.3
167.03481	0.6
169.05034	0.5
171.02969	0.5
172.25244	0.2
179.05591	8.1
180.05902	0.3
185.04547	0.7
199.06049	0.7
203.05598	0.5
217.07001	1.1
219.05000	0.6
221.06624	3.1
229.04939	0.3
233.22740	0.7
235.08208	15.7
236.08560	0.7
245.06651	0.9
253.09262	3.3
259.08362	0.3
259.20493	0.4
263.07678	1.9
275.19937	0.4
277.09644	1.1
277.21692	100.0
278.22031	9.1
283.67328	0.3
287.07697	3.6
288.08249	0.2
291.23444	0.3
305.08749	4.5
323.09738	1.9
326.82150	0.3
361.11395	0.9
379.12402	1.4
397.13455	94.8
398.13776	7.1
415.14536	35.9
416.14871	3.1
604.53790	0.2
622.13806	0.2
675.35608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03447	1.3
58.00585	2.4
59.01376	44.7
60.01699	0.6
61.98828	2.9
67.01894	0.3
68.99802	0.6
69.03448	2.6
70.52322	0.6
71.01376	40.4
72.01719	0.6
72.99303	3.6
73.02941	6.8
75.00875	1.0
76.04649	0.2
78.95872	0.2
81.03456	2.1
83.01379	4.6
83.05001	0.6
85.02945	9.2
86.00086	0.5
87.00870	9.7
87.04510	0.3
89.02438	34.1
90.02778	0.4
91.04018	0.8
93.03440	0.4
95.01389	2.9
95.05019	0.3
97.02943	7.0
99.00868	2.7
99.04499	0.5
101.02437	34.6
102.02787	0.9
103.00392	0.5
103.03996	0.6
107.01420	0.2
109.02953	0.5
111.00904	0.7
111.04498	1.2
113.02444	17.0
114.02789	0.4
115.04021	1.0
119.03492	11.6
121.02950	0.9
123.00892	0.4
123.04503	0.4
124.01674	0.4
125.02439	13.3
126.02761	0.3
127.03966	0.5
127.07663	0.3
129.01979	0.3
131.03505	1.9
133.05054	1.7
135.04407	0.2
137.02437	0.3
139.03978	1.1
141.01926	0.9
143.03494	7.1
149.04559	1.0
157.05019	0.2
159.02795	0.2
161.03259	0.4
161.04544	6.7
161.05893	0.3
162.04973	0.3
167.03467	0.9
169.05043	0.4
171.02957	0.5
179.05589	7.2
180.05971	0.3
181.04993	0.2
185.04524	0.9
199.06090	0.7
203.05589	0.3
205.19661	0.2
217.07108	1.2
219.05049	0.3
221.06616	2.9
233.22742	0.4
235.08212	15.9
236.08580	0.6
245.06618	1.1
253.09245	3.4
254.09587	0.3
259.20581	0.6
263.07764	1.8
277.09644	1.1
277.21689	100.0
278.22021	9.7
287.07681	3.7
291.23016	0.3
305.08780	4.7
306.08841	0.3
323.09747	1.9
361.11325	0.7
379.12430	1.4
397.13455	92.5
398.13812	7.5
398.18039	0.1
398.19122	0.3
415.14520	37.7
416.14835	3.5
439.85870	0.2
495.95782	0.2
612.97864	0.2
675.34857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88869	0.2
59.01382	2.4
61.98824	3.3
71.01373	1.0
71.52062	0.4
73.02920	0.7
83.01392	0.2
101.02428	1.1
102.86268	0.2
113.02437	0.4
116.92847	0.4
130.49629	0.2
143.03500	0.2
162.18758	0.2
209.11800	0.2
241.42039	0.2
393.16486	0.2
407.33282	0.3
453.33682	0.9
471.34744	100.0
472.35101	17.4
472.42087	0.5
485.36301	0.7
513.36169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57249	0.1
58.00569	0.1
59.01377	1.3
61.98827	0.2
65.81204	0.1
71.01383	0.9
73.02930	1.2
83.01383	0.2
85.02941	0.1
96.95998	0.1
101.02447	0.8
113.02412	0.2
125.02469	0.2
140.49780	0.1
218.88483	0.1
221.73741	0.1
272.68652	0.1
287.57959	0.1
428.71942	0.1
471.34711	100.0
472.35059	16.2
485.36230	1.0
486.36703	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	675.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08833	0.1
59.01377	1.4
61.98824	0.9
71.01361	0.6
73.02945	0.5
83.01385	0.1
96.96007	0.6
97.16866	0.1
98.20779	0.2
101.02430	0.3
113.02435	0.2
137.96667	0.1
151.73044	0.1
161.02480	0.2
162.06731	0.2
177.09242	0.2
209.11674	0.1
211.13316	0.2
229.10158	0.2
471.34732	100.0
472.35086	16.7
472.42062	0.3
485.36414	0.2
675.41382	0.2
683.95850	0.1
689.26178	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	675.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.9
60.29680	0.1
61.98825	4.7
68.99812	0.2
71.01369	0.6
73.02937	0.5
78.95892	0.4
79.68827	0.2
101.02428	0.6
113.02441	0.5
122.17651	0.2
123.10069	0.2
133.02966	0.3
141.65994	0.2
143.03477	0.3
148.65828	0.2
161.02431	0.7
161.57106	0.2
295.22849	0.4
329.60544	0.2
356.77295	0.2
393.31607	0.2
423.16876	0.2
423.32742	0.5
471.34744	100.0
472.35098	16.1
472.42361	0.3
485.36258	0.4
513.34839	0.2
610.98376	0.2
615.39001	0.5
674.81769	0.5
675.30969	0.2
675.41418	0.8
675.81561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29640	0.2
59.01373	1.5
61.98816	0.6
69.38287	1.3
76.61826	0.1
81.95357	0.2
101.02454	0.3
113.02431	0.2
115.81506	0.2
125.20884	0.2
186.09799	0.2
263.28314	0.2
304.74066	0.2
471.34747	100.0
472.35114	16.5
495.25354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01073	0.3
59.01374	4.5
61.98825	1.0
69.03461	0.4
69.26579	1.1
69.26992	0.7
71.01383	2.7
72.05347	0.3
73.02931	1.0
83.01387	0.4
85.02943	1.4
87.00876	0.6
89.02446	1.4
89.03959	0.3
95.01393	0.6
99.00890	0.3
101.02441	1.2
111.00883	0.5
113.02438	2.5
117.03460	27.6
118.03825	1.2
118.04544	0.2
119.03524	0.5
119.05025	7.9
120.05418	0.3
125.02428	0.5
135.04561	0.4
137.06038	1.4
145.02943	100.0
146.03275	4.7
153.05554	0.3
161.02444	0.7
163.04002	5.1
177.05463	0.3
187.13451	0.4
189.05565	0.3
191.05713	0.2
196.59639	0.2
205.41295	0.2
281.10394	0.5
357.70029	0.2
445.17502	0.4
487.18115	1.5
509.37006	0.2
591.20636	0.3
633.21814	28.1
634.22162	5.5
677.28217	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17921	0.2
59.01374	5.1
61.98833	0.4
71.01379	3.4
73.02928	1.2
75.84330	0.2
81.32440	0.2
85.02946	1.8
87.00870	0.4
89.02449	1.9
93.03421	0.2
95.01381	0.3
96.95990	0.3
97.02946	0.5
98.01712	0.2
99.00871	0.2
99.04497	0.3
101.02435	1.2
105.99265	0.2
109.02986	0.3
113.02451	2.8
117.03455	25.6
118.03833	1.1
119.03577	0.5
119.05017	8.1
125.02415	0.4
134.61952	0.3
135.04568	0.3
137.06094	1.1
143.03516	0.3
143.05013	0.7
145.02942	100.0
146.03284	4.1
155.03557	0.3
161.02446	0.4
161.04549	0.2
163.03998	6.0
164.41957	0.2
184.57489	0.2
187.04002	0.3
189.05504	1.1
203.05463	0.3
207.06601	0.4
245.18477	0.2
283.81708	0.2
445.16614	0.4
469.17017	0.2
487.18280	1.0
489.90576	0.2
619.19354	0.3
633.21820	26.7
634.22186	5.4
677.28052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
57.03447	2.9
59.01375	8.6
61.98825	1.9
65.34979	0.3
69.03457	0.4
70.82677	0.4
70.83002	0.5
71.01378	5.8
72.99294	0.3
73.02940	1.7
75.00883	1.5
77.03987	0.3
81.03457	0.4
83.01385	9.5
83.01889	0.5
85.02941	2.4
87.00858	0.3
88.98803	0.8
89.02446	1.4
92.93077	0.3
95.01357	0.4
96.95975	0.4
99.00887	0.9
99.04509	2.7
101.02448	2.3
105.03443	0.6
108.02124	0.4
113.02446	4.2
117.01999	0.4
117.03459	1.4
119.03532	0.3
121.02951	3.6
122.03773	0.3
123.00859	0.4
123.04486	0.5
125.02439	2.4
128.58229	0.3
132.02141	2.2
133.02956	36.6
134.03262	1.0
135.04530	6.4
136.05293	3.5
137.02461	0.7
143.03464	0.5
145.03036	0.3
155.03493	0.8
161.02438	100.0
162.02771	4.3
163.03964	0.5
168.04300	0.4
179.03505	1.7
185.76726	0.4
193.04898	0.4
203.05547	0.5
210.12296	0.4
215.38750	0.3
216.59985	0.4
252.27327	0.4
356.12570	3.0
357.13144	0.7
371.14926	16.7
372.15192	1.3
377.21616	0.3
493.57996	0.3
591.20367	1.6
633.21808	43.9
634.22162	7.5
677.34589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15990	0.4
55.01875	1.3
57.03448	1.0
58.00581	1.4
59.01374	33.9
61.98816	1.5
64.23557	0.4
69.03443	1.6
71.01374	31.1
71.52700	0.5
72.99300	2.8
73.02946	5.8
75.00865	1.1
81.03448	1.3
83.01379	3.6
84.42859	0.4
85.02946	7.1
87.00871	7.5
88.39584	0.4
89.02434	28.6
91.03995	0.6
95.01386	2.5
97.02937	5.7
99.00871	1.7
99.04504	0.7
101.02433	27.5
102.02773	0.7
109.02982	0.7
111.00859	0.5
111.04515	1.2
113.02439	12.9
119.03487	9.2
124.01601	0.4
125.02441	13.0
127.03986	0.8
129.01987	0.5
131.03503	1.6
133.05035	0.9
139.04021	0.8
141.01877	0.6
143.03471	5.2
149.04553	0.8
161.04530	6.7
167.03453	0.7
179.05589	5.4
185.04625	0.6
193.25610	0.5
199.06097	0.7
217.07208	1.0
221.06607	2.3
235.08186	11.5
245.06627	0.7
253.09268	2.5
261.22168	0.4
263.07672	1.4
277.09106	0.7
279.23254	100.0
280.23633	8.9
287.07715	3.1
293.24884	0.5
300.69803	0.5
305.08789	3.9
323.09827	1.6
361.11401	0.8
379.12341	1.0
397.13440	84.5
398.13794	6.2
415.14520	32.1
416.14908	2.4
677.37140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02345	0.3
55.01876	0.9
56.17472	0.3
57.48129	0.3
59.01389	0.9
61.98817	1.3
69.03444	0.3
71.01360	1.5
73.02939	0.4
74.00642	0.3
83.01380	14.3
85.02943	0.6
93.03436	1.0
93.05442	0.3
97.80191	0.3
101.02431	1.0
113.02439	0.6
117.03455	32.0
118.03799	1.2
119.05019	14.4
120.05354	0.4
121.02945	4.4
122.03814	0.4
123.00867	0.4
136.05278	4.8
138.03165	0.4
145.02939	100.0
146.03250	4.2
147.04489	0.5
159.04465	0.7
161.06058	1.4
163.04001	10.2
164.04337	0.5
168.04341	1.6
187.03989	1.0
205.04982	0.4
229.44980	0.4
242.63335	0.4
247.06064	0.6
260.27145	0.3
271.41531	0.3
294.62704	0.3
302.60150	0.3
307.08197	41.8
308.08521	3.4
356.12711	1.3
357.13385	4.3
358.13766	0.3
371.14951	3.2
372.15189	0.5
643.26959	0.4
679.23883	31.2
680.24188	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	679.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81589	0.2
59.01374	2.8
61.98830	3.5
71.01386	1.5
71.52325	0.4
73.02945	0.5
82.93108	0.2
85.02950	0.8
93.03451	0.8
97.02976	0.2
101.02441	0.8
108.98147	0.2
109.02914	0.3
113.02463	0.8
117.03457	31.0
118.03815	0.8
119.05016	12.5
120.05359	0.5
121.02949	8.0
121.13120	0.2
122.03732	0.3
135.04524	0.6
136.01662	0.6
137.02414	0.3
145.02942	100.0
146.03273	4.2
147.04488	0.6
151.04001	0.5
159.04501	0.6
161.02443	0.5
161.04672	0.3
161.06073	0.8
163.03993	9.1
164.04370	0.4
175.03981	0.3
177.05562	0.4
187.03989	0.8
203.07085	0.3
205.04994	0.7
247.06094	0.5
277.19586	0.2
307.08203	31.2
308.08560	2.6
319.34503	0.3
342.11078	0.4
356.12592	8.4
357.13330	4.3
358.13904	0.5
371.14865	3.1
489.34222	0.4
679.23871	38.1
680.24176	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	679.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74767	0.2
55.01877	0.6
56.37507	0.2
59.01377	1.7
61.98822	5.1
71.01375	1.7
71.20638	0.4
73.02941	0.5
83.01382	13.0
85.02946	0.7
89.02471	0.2
89.03975	0.3
93.03419	0.5
101.02422	1.1
113.02435	0.4
113.68773	0.2
117.03457	32.3
118.03776	1.1
119.05019	12.4
120.05367	0.6
121.02953	4.7
122.03754	0.3
123.00901	0.6
133.06572	0.3
136.05286	5.0
145.02942	100.0
146.03279	4.2
147.04495	0.3
154.26608	0.2
159.04520	0.6
161.06100	1.0
163.03999	10.0
164.04312	0.3
168.04257	1.4
175.03969	0.4
175.07674	0.3
187.04010	1.0
189.05476	0.2
205.05048	0.6
219.06413	0.3
235.09731	0.3
247.06143	0.7
307.08188	43.2
308.08487	2.7
356.12485	1.2
357.13406	4.5
358.13831	0.4
371.14978	3.9
372.15402	0.3
619.38147	0.4
679.23907	28.6
680.24152	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	679.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53381	0.6
55.01874	1.3
59.01377	18.0
61.80013	0.7
61.98835	5.0
65.03961	39.9
66.04288	0.9
67.03741	0.7
68.99822	4.0
69.03195	0.7
69.03452	7.3
69.13472	0.8
69.13819	8.1
71.01379	24.1
73.02936	3.0
74.82401	0.8
77.04626	0.8
81.24285	0.9
83.01385	2.0
85.02941	5.8
87.00852	1.6
89.02440	10.8
92.02025	0.8
93.03458	8.2
95.01345	1.1
95.04999	4.1
99.00880	4.7
99.08128	2.3
100.90345	0.7
101.02444	11.3
106.04234	2.3
107.05032	0.8
113.02453	8.0
119.03496	4.2
119.04996	4.5
121.06586	19.2
127.07639	2.5
135.04533	1.3
137.02463	1.6
137.05916	0.9
139.04005	71.0
140.04305	2.3
145.08690	5.0
147.04469	1.2
161.02408	1.9
161.04587	1.3
163.07626	0.8
165.05556	20.4
166.05891	1.3
183.06618	15.3
191.05675	1.8
209.04538	23.2
210.04852	1.6
289.12927	7.0
307.13922	18.4
308.14127	1.8
331.13962	1.8
345.11932	2.9
348.45209	0.9
349.15042	1.1
381.57553	0.7
389.10684	1.7
409.17569	1.1
433.33411	0.8
635.25531	10.4
636.26062	1.5
679.24518	100.0
680.24823	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	680.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54519	0.2
61.98827	100.0
62.51207	0.1
62.98519	0.3
95.96910	0.2
98.20753	0.4
121.72635	0.2
141.67120	0.1
217.28230	0.2
263.47055	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
71.51223	0.4
151.34544	0.2
180.13876	0.2
537.04944	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.7
61.98827	100.0
62.98572	0.3
71.01385	0.3
71.38603	0.3
71.51894	0.3
89.40372	0.3
101.02444	0.3
109.08030	0.3
135.04497	0.6
156.78087	0.3
161.02463	1.5
179.03543	0.6
300.66974	0.3
407.15045	0.4
407.65857	0.5
533.96997	0.3
534.20837	0.5
596.16541	0.3
644.20660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98254	0.3
55.01864	0.3
57.03435	0.2
58.05480	0.3
59.01377	2.6
60.99297	3.1
61.98825	14.2
62.60971	0.3
62.67031	0.2
69.03472	0.3
69.18537	0.9
69.18954	1.8
71.01376	2.9
72.99281	0.2
73.02947	0.5
80.96516	0.3
83.01376	6.4
85.02940	1.0
88.98796	19.8
89.02433	0.7
93.03456	0.4
95.01395	0.4
96.95949	0.3
98.20770	0.4
99.00887	0.3
101.01888	0.3
101.02428	1.6
105.03473	1.0
107.04989	0.6
108.02173	0.8
109.02946	1.3
113.02436	1.4
115.01853	0.3
117.03455	1.2
119.03477	0.3
119.05032	0.9
121.02943	3.9
122.03714	2.4
123.00867	0.6
123.04507	1.2
132.02164	1.8
133.02942	39.6
134.03810	2.2
135.04509	25.7
136.01649	6.0
136.04868	0.9
137.02434	1.9
137.06068	0.9
145.02925	0.7
146.03696	0.5
147.04529	1.9
149.02434	0.2
149.06035	1.3
150.03163	0.3
151.03989	5.3
151.05115	0.5
155.87505	0.3
159.04521	0.8
160.01660	0.7
161.02422	100.0
162.02753	4.6
163.04001	1.7
173.06047	0.5
175.03986	2.1
176.04770	0.5
177.01987	0.5
177.05533	4.2
178.02608	0.5
179.03476	15.8
180.03810	0.9
189.05540	0.8
191.07182	0.6
193.05032	0.9
203.03456	1.2
205.04915	0.3
207.06693	0.4
209.08159	0.4
220.03920	0.4
221.04526	2.8
221.08197	0.6
237.09717	0.3
251.05595	0.4
263.05469	0.8
279.06622	0.3
280.05951	0.9
307.08160	0.4
313.10858	1.2
323.07666	24.7
324.07968	2.1
327.12299	0.4
337.09253	0.7
339.09641	0.7
340.09811	0.3
342.11069	1.7
343.11813	3.8
356.12558	5.7
357.13382	3.9
371.14935	12.6
372.61179	0.3
462.12991	0.4
477.15625	1.3
503.61246	0.4
504.21048	0.3
519.16406	4.4
520.16833	0.8
591.20764	3.2
592.20966	0.7
681.21753	63.2
682.22156	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	681.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98254	0.3
55.01864	0.3
57.03435	0.2
58.05480	0.3
59.01377	2.6
60.99297	3.1
61.98825	14.2
62.60971	0.3
62.67031	0.2
69.03472	0.3
69.18537	0.9
69.18954	1.8
71.01376	2.9
72.99281	0.2
73.02947	0.5
80.96516	0.3
83.01376	6.4
85.02940	1.0
88.98796	19.8
89.02433	0.7
93.03456	0.4
95.01395	0.4
96.95949	0.3
98.20770	0.4
99.00887	0.3
101.01888	0.3
101.02428	1.6
105.03473	1.0
107.04989	0.6
108.02173	0.8
109.02946	1.3
113.02436	1.4
115.01853	0.3
117.03455	1.2
119.03477	0.3
119.05032	0.9
121.02943	3.9
122.03714	2.4
123.00867	0.6
123.04507	1.2
132.02164	1.8
133.02942	39.6
134.03810	2.2
135.04509	25.7
136.01649	6.0
136.04868	0.9
137.02434	1.9
137.06068	0.9
145.02925	0.7
146.03696	0.5
147.04529	1.9
149.02434	0.2
149.06035	1.3
150.03163	0.3
151.03989	5.3
151.05115	0.5
155.87505	0.3
159.04521	0.8
160.01660	0.7
161.02422	100.0
162.02753	4.6
163.04001	1.7
173.06047	0.5
175.03986	2.1
176.04770	0.5
177.01987	0.5
177.05533	4.2
178.02608	0.5
179.03476	15.8
180.03810	0.9
189.05540	0.8
191.07182	0.6
193.05032	0.9
203.03456	1.2
205.04915	0.3
207.06693	0.4
209.08159	0.4
220.03920	0.4
221.04526	2.8
221.08197	0.6
237.09717	0.3
251.05595	0.4
263.05469	0.8
279.06622	0.3
280.05951	0.9
307.08160	0.4
313.10858	1.2
323.07666	24.7
324.07968	2.1
327.12299	0.4
337.09253	0.7
339.09641	0.7
340.09811	0.3
342.11069	1.7
343.11813	3.8
356.12558	5.7
357.13382	3.9
371.14935	12.6
372.61179	0.3
462.12991	0.4
477.15625	1.3
503.61246	0.4
504.21048	0.3
519.16406	4.4
520.16833	0.8
591.20764	3.2
592.20966	0.7
681.21753	63.2
682.22156	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	682.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58795	0.2
55.01877	2.1
59.01381	1.7
61.98827	100.0
69.65725	1.4
71.01379	0.4
81.01403	0.2
83.01384	47.1
84.01721	1.2
88.98791	0.5
91.24986	0.3
92.85711	0.3
121.02954	9.3
123.00835	1.5
133.02943	1.0
135.04494	1.0
136.01662	0.7
136.05292	15.9
137.06039	0.5
138.03185	0.9
147.04512	0.6
151.03969	0.3
161.02441	2.5
162.02780	0.9
168.04294	3.3
179.03458	0.6
235.09766	1.7
312.13531	0.4
323.07697	0.6
324.08054	0.5
356.08447	0.5
356.12610	7.7
357.12943	0.8
371.14948	93.0
372.15283	11.8
480.40326	0.3
682.22247	3.1
683.22485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.5
60.99306	18.6
61.98829	7.8
62.51997	0.7
62.86919	0.8
65.62704	0.8
69.50571	5.6
71.01370	3.3
85.02942	2.6
88.98798	100.0
89.02435	1.9
95.01379	1.1
101.02436	2.0
107.05031	1.0
113.02445	4.9
117.03339	0.9
119.03491	1.3
123.04480	1.4
132.02214	1.5
133.01938	1.7
133.02936	22.8
133.98555	0.9
134.03696	1.3
135.04520	36.4
137.02451	2.8
138.03194	1.0
138.98380	0.9
149.02441	0.9
150.03201	1.2
151.00424	1.4
151.03957	3.8
161.02432	71.7
162.02704	1.1
165.01862	3.2
166.02716	1.1
175.03935	1.3
177.05547	1.4
179.03484	53.4
180.03902	2.8
181.04948	1.1
203.03456	3.9
227.03477	7.8
229.05063	4.0
255.02971	16.4
256.03793	1.0
257.04520	2.3
284.03241	26.0
285.03992	35.8
286.04361	2.5
319.13892	7.8
326.11600	1.0
341.86697	0.9
345.15475	5.5
406.01657	1.0
487.14444	9.2
489.16159	1.1
593.15063	70.0
594.15369	13.2
621.18170	26.8
647.29022	2.3
651.19208	24.1
652.19409	3.8
683.22870	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06268	0.7
59.01382	4.7
60.99302	22.4
61.98824	9.0
66.20943	0.7
69.48790	2.5
69.49216	3.0
71.01376	3.3
73.02916	1.0
73.19374	0.8
81.91396	0.8
85.02955	3.0
88.98802	100.0
89.02425	2.3
89.99125	1.6
93.03475	0.9
95.01370	1.0
101.02431	2.2
102.01205	0.8
107.01388	1.2
107.04998	1.1
109.02934	1.6
113.02444	5.9
123.04489	1.7
132.02126	1.4
133.01929	1.3
133.02946	24.9
134.03755	1.1
135.04518	37.2
137.02396	3.0
149.02466	0.8
150.03270	1.0
151.00328	1.5
151.03983	4.0
155.40723	0.8
157.08760	0.8
161.02432	66.5
162.02734	1.0
165.01901	2.8
166.02682	0.9
175.03970	1.2
177.05544	2.1
179.03490	46.9
180.03928	1.9
181.05061	1.4
183.00595	0.7
203.03523	4.3
213.05707	0.8
221.04410	1.1
227.03506	8.4
229.04968	2.8
239.03288	0.9
255.03006	15.1
255.05608	0.7
255.36780	0.7
256.00946	1.0
256.03702	2.7
257.04514	2.3
284.03253	25.2
285.03983	30.0
286.04324	2.1
319.13901	7.0
345.15457	3.9
428.15555	0.8
454.28885	0.8
487.14697	8.2
489.16071	1.1
561.55719	0.9
593.15057	72.2
594.15417	11.0
621.18219	22.9
641.12244	0.9
647.29138	1.9
651.19189	23.3
652.19574	4.7
683.22943	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	683.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05916	0.4
59.01377	5.4
61.98831	1.3
61.99170	0.3
67.37136	0.4
69.28482	3.8
71.01383	2.9
72.99321	0.6
73.02940	2.1
85.02953	1.7
87.00894	1.0
88.98795	1.6
89.02448	1.3
93.52735	0.4
99.21688	0.4
99.46768	0.4
101.02434	2.7
103.04001	1.2
105.03465	0.8
107.05009	0.8
109.02956	2.0
111.00911	1.0
113.02455	0.5
115.03977	0.7
117.03480	0.9
119.05038	0.9
121.02962	0.8
122.03725	0.7
123.04526	0.8
132.02161	2.1
133.02954	35.7
134.03815	2.5
135.04527	42.5
136.04854	1.6
137.02440	6.3
138.03230	1.6
139.03996	1.1
143.03496	0.5
145.02940	0.6
148.05273	1.0
149.02444	1.9
149.06056	3.5
150.03218	0.8
151.04008	1.0
159.50865	0.4
161.02438	100.0
162.02791	4.7
163.03998	1.0
163.06093	0.8
165.01936	7.2
166.02718	4.1
174.03268	0.5
175.04027	4.2
177.05574	6.7
178.02692	0.6
179.03496	37.5
180.03952	2.1
181.05087	4.0
182.05312	0.6
187.03818	0.5
189.05508	1.1
191.03741	0.5
191.05507	1.9
193.05063	0.6
203.03497	17.3
203.29552	0.4
204.03770	0.9
207.06656	0.4
209.81163	0.4
215.03482	0.7
221.04562	3.8
233.04526	2.0
251.05635	1.1
299.89981	0.4
353.08615	0.8
397.11197	0.6
427.12436	4.3
428.12479	0.5
469.13409	0.9
471.15408	0.5
487.14545	22.6
488.14691	2.2
489.16275	1.0
503.19186	1.9
521.16888	0.8
593.14453	0.9
621.17737	0.6
651.19208	57.1
652.19452	10.0
683.21783	8.4
684.22321	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00565	0.4
58.51498	0.4
59.01374	6.0
59.48515	0.5
61.98809	0.6
71.01398	2.8
71.52509	0.6
73.02936	2.1
82.08184	0.5
85.02949	1.2
87.00875	1.4
87.04530	0.6
89.02454	1.4
99.38868	0.5
101.02426	3.2
103.04025	0.9
105.03458	0.6
107.04977	0.7
109.02975	2.3
111.00869	0.9
113.02465	0.5
113.75098	0.4
115.04048	0.6
117.03501	0.9
121.02937	0.9
123.04504	0.8
125.02483	0.5
131.03516	0.6
132.02174	2.5
133.02946	36.8
134.03705	2.0
135.04512	44.0
136.04848	1.8
136.35257	0.4
137.02417	6.0
138.03185	2.0
139.04018	0.7
143.03502	0.8
147.04495	1.0
148.01579	0.5
148.05247	0.8
149.02415	1.4
149.06067	3.3
151.04007	1.3
161.02431	100.0
162.02751	5.4
163.06148	0.8
165.01917	7.5
166.02663	2.9
175.03999	4.2
177.05569	5.7
179.03474	35.3
180.04002	2.5
181.05087	3.2
189.05551	1.5
193.05110	0.4
203.03487	16.1
204.03859	0.6
205.07104	0.7
221.04562	3.7
221.06660	0.7
233.04573	2.1
251.05595	1.4
290.35080	0.5
386.02231	0.5
397.11218	0.5
427.12308	4.4
428.12537	0.7
459.22382	0.5
469.13394	1.1
487.07404	1.1
487.14554	20.8
488.15225	2.5
489.16241	0.9
621.18402	1.7
651.19238	49.8
652.19501	9.5
683.21899	11.3
684.22021	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	683.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.6
61.98829	6.1
69.26569	2.8
69.27000	3.7
71.01377	9.8
72.23328	0.7
72.99292	1.1
73.02943	2.1
83.01378	1.7
85.02931	3.5
87.00879	1.4
88.98784	1.2
89.02444	9.4
95.01377	1.4
99.00900	0.7
101.02433	5.4
105.03483	0.9
109.02943	3.1
111.00864	2.1
113.02467	6.3
117.03457	0.8
119.03498	2.6
121.02927	0.8
122.03748	0.9
123.04521	1.9
131.03508	0.7
132.02142	2.5
133.02948	38.3
134.03697	2.9
135.04514	47.6
136.04836	1.8
137.02408	5.7
138.03214	1.5
138.23827	0.7
139.04037	2.0
143.03494	1.0
147.04506	0.8
149.02415	1.0
149.06058	2.1
150.03186	0.9
151.04060	1.6
161.02428	100.0
162.02795	3.6
165.01929	6.2
166.02673	2.6
171.04453	0.8
175.03992	2.8
177.05559	5.6
179.03487	52.2
179.05478	1.9
180.04031	2.8
181.05060	4.1
189.05524	0.8
193.05019	0.9
203.03477	12.8
221.04680	3.5
221.06508	1.1
233.04546	2.5
251.05582	2.6
288.59222	0.8
305.06711	0.8
319.13965	4.6
323.07474	1.8
345.15585	1.6
357.13409	1.7
358.13751	1.1
359.14050	1.1
397.11383	1.0
427.12247	2.3
469.13394	1.5
477.14212	1.2
487.14554	19.7
488.14832	2.8
489.16202	1.1
594.14215	0.8
621.18152	10.8
651.19238	50.5
652.19702	8.6
683.21246	8.6
684.22705	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23479	0.1
55.01883	0.1
59.01374	0.5
61.98824	1.2
65.03935	0.1
67.01886	0.1
70.65050	0.2
71.01379	0.4
74.94622	0.1
77.03960	0.7
83.01382	2.9
85.02972	0.1
87.00859	0.1
88.98832	0.1
89.02444	0.1
93.03452	3.7
94.03771	0.1
95.01391	0.3
95.05018	5.0
96.05373	0.1
96.96024	0.1
99.49443	0.1
101.02444	0.3
102.43797	0.1
105.03452	1.8
107.05029	0.1
108.02167	0.1
109.06525	0.1
113.02418	0.2
115.00362	0.2
119.70191	0.1
121.02946	34.3
122.03263	1.0
123.00841	0.1
123.04476	0.4
133.02921	0.1
135.04541	0.3
136.05286	1.1
148.01646	0.3
149.02425	100.0
150.02759	3.8
161.02426	0.7
168.04259	0.3
175.02496	0.3
179.03580	0.1
196.32195	0.1
231.53307	0.1
235.09903	0.1
304.07996	0.1
356.12531	0.2
357.13504	0.1
371.14926	2.5
372.15411	0.4
522.19617	0.1
579.33380	0.2
597.35028	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	684.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
60.99295	1.1
61.98827	27.5
68.21532	0.6
69.27654	2.2
69.28073	2.0
71.01383	2.7
73.02950	0.7
85.02948	2.0
88.98800	9.4
89.02470	1.2
100.33882	0.5
101.02456	1.5
105.03463	0.9
107.04996	0.5
108.02171	0.6
109.02945	1.1
111.00822	0.6
113.02457	3.2
117.03442	1.0
123.04501	5.9
124.04910	0.5
132.02151	1.7
133.02953	30.1
134.03342	2.2
135.04515	35.0
136.04846	3.6
137.02420	1.3
149.02422	0.7
149.06067	1.4
150.03232	5.3
151.03996	12.0
161.02432	100.0
162.02768	8.2
165.01862	0.8
165.55060	0.5
175.04010	1.8
177.05580	3.0
179.03488	35.1
180.03822	7.4
181.05003	0.7
193.05072	0.7
203.03511	5.8
204.03696	0.8
221.04485	1.6
233.04373	0.5
248.88188	0.6
255.03017	1.1
256.03320	0.9
284.03320	1.8
285.03848	2.4
286.04361	1.4
313.02817	0.5
316.24973	0.5
319.13928	0.8
345.15524	0.9
427.12341	0.8
487.14554	7.1
488.14777	2.8
489.15686	0.7
593.15375	0.6
594.15411	6.5
595.15924	0.7
621.18195	86.9
622.18518	16.3
651.19293	1.1
652.19519	10.1
653.20099	1.5
684.21771	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.4
65.03960	45.5
65.21865	0.9
66.04272	1.8
68.99802	5.4
69.03450	7.3
69.37537	1.3
69.37847	7.1
71.01377	14.3
72.60311	1.0
73.02937	3.6
81.03489	1.2
83.01376	1.4
85.02941	6.3
87.00872	1.0
89.02436	6.1
93.03439	10.5
95.01382	1.4
95.05016	6.6
97.02969	0.9
98.20694	1.7
99.00866	5.4
101.02439	8.3
103.05508	1.8
106.04242	4.0
107.05016	4.3
108.02151	1.6
113.02427	5.8
119.03476	2.6
119.05027	5.3
121.02912	1.4
121.06582	25.0
123.04523	7.5
132.02159	4.1
133.02939	10.8
133.06534	1.0
135.04417	1.1
135.22215	0.9
137.02390	1.1
137.06065	2.0
139.04004	90.1
140.04333	3.3
147.04483	3.3
151.03987	3.9
161.02382	1.4
161.04546	2.1
161.05925	1.2
165.05553	44.0
166.05865	1.8
168.39526	0.9
175.03966	7.5
183.06602	30.3
183.59282	0.8
184.06943	1.2
193.05046	11.6
207.06523	1.6
209.04546	29.7
210.04829	1.1
215.30002	0.9
301.12604	1.4
345.11917	12.5
355.10275	2.4
389.10876	15.5
390.11282	1.5
415.12173	1.7
479.15530	4.3
489.15900	1.8
523.14484	16.1
524.14764	1.8
641.20825	6.2
642.21112	1.4
685.19720	100.0
686.20020	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	685.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14580	0.7
59.01377	100.0
60.01694	0.9
61.98825	21.1
71.01385	2.1
71.52373	0.9
71.52740	0.8
73.02937	0.7
83.05029	1.1
85.02932	1.9
96.96037	1.0
101.02471	1.0
116.92886	1.0
121.02953	16.8
123.04516	0.8
133.02936	1.5
135.04556	2.4
139.04010	1.1
141.89104	0.7
159.04535	1.4
161.02420	5.6
162.02844	1.1
171.10315	1.8
177.12994	0.8
179.03514	1.6
203.03299	1.2
209.11798	7.2
221.11897	3.9
223.13341	0.9
225.11292	1.1
227.12871	0.9
239.12871	2.7
253.09123	0.8
278.27597	0.7
281.08102	5.8
293.08221	1.5
296.10599	1.9
387.13034	0.9
403.11902	2.5
415.11606	5.8
418.14240	9.8
419.14853	1.9
430.14136	5.7
433.16516	43.4
434.16956	6.6
445.16519	30.8
446.16946	4.4
448.88562	0.8
463.34137	1.0
520.73114	0.7
545.17114	1.1
553.65002	1.0
563.47626	0.7
641.35510	0.9
685.36755	1.5
699.19037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61443	0.1
55.01870	1.8
59.01371	0.5
61.98818	0.6
69.03458	0.3
69.20400	1.2
71.01372	0.7
83.01384	47.3
84.01726	0.8
84.02152	0.2
85.02955	0.3
88.98797	0.2
89.02445	0.2
93.03455	0.9
95.04998	0.1
101.02444	0.2
103.76382	0.1
108.02157	0.2
109.02929	0.4
121.02063	0.2
121.02949	6.4
122.03744	10.7
123.00860	0.4
123.04545	4.2
124.01635	0.4
124.04889	0.2
133.02937	0.2
135.04492	0.5
136.01637	0.4
136.05278	2.5
137.02467	0.8
137.06084	8.9
138.03207	0.2
138.06422	0.3
139.11285	0.5
146.03731	0.5
147.04509	4.0
148.04953	0.2
149.06047	0.3
151.03961	0.4
154.02711	0.5
159.04486	0.3
160.05310	0.2
160.17206	0.1
161.02419	0.5
161.04729	0.3
161.06044	1.9
162.06863	1.5
168.04240	0.8
175.03955	0.4
175.07607	0.3
176.04761	0.2
177.05423	0.2
178.59839	0.1
183.10220	1.3
189.05634	0.2
191.07176	0.6
204.04279	0.3
205.05003	0.4
206.05795	0.4
209.08165	2.1
210.08768	0.1
219.06604	0.2
221.08180	3.7
269.95850	0.1
283.09763	0.3
298.12079	0.9
299.12564	0.2
313.14453	1.6
314.15048	0.2
335.75946	0.2
342.11047	5.1
343.11325	0.6
357.13406	100.0
358.13742	11.0
399.14563	0.2
501.17542	1.4
519.19171	0.4
685.28027	0.2
685.38379	0.3
692.60046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	11.7
61.98827	35.9
63.82462	1.5
65.70567	1.7
69.43119	9.0
69.43542	2.7
71.01377	2.8
73.02943	1.8
75.92085	1.5
83.01384	22.8
83.01841	2.7
88.98788	2.5
89.02433	2.4
93.03436	2.1
95.05044	1.5
98.19855	3.1
98.25778	1.9
101.02431	4.7
102.97765	1.6
121.02959	10.9
122.03720	4.8
123.04556	1.8
127.82640	1.5
133.02998	3.7
135.04500	4.7
136.05263	5.6
137.06064	4.3
139.04034	2.1
147.04456	1.8
149.06061	1.8
161.02420	8.9
179.03398	3.9
191.05637	2.6
223.13161	1.7
243.16205	1.6
342.11093	2.1
357.13403	54.7
358.13696	5.3
437.25192	2.6
649.39404	57.8
650.39886	11.2
685.37219	100.0
686.27094	2.9
686.37732	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	685.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.8
61.98837	4.1
62.69392	0.6
65.45267	0.6
65.71729	0.7
71.01363	3.2
73.02936	2.4
83.01377	1.3
85.02919	1.1
88.98755	1.5
89.02438	1.8
91.82615	0.7
96.96008	0.7
101.02428	3.5
113.02436	1.4
133.02914	1.0
135.04482	1.3
143.03525	0.8
150.03198	0.7
152.56337	0.7
161.02406	2.4
161.04562	1.0
163.06125	0.9
179.03441	1.6
179.05585	0.9
187.07820	0.7
197.02222	7.8
203.79335	0.7
487.34271	100.0
488.34564	15.9
556.21393	1.8
583.31067	1.6
625.32257	1.8
685.37311	30.8
686.37836	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	685.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.6
61.98825	71.4
62.98539	1.3
62.99253	0.8
63.99250	7.7
71.01373	3.1
72.99298	0.4
73.02954	1.4
75.00922	0.6
82.31075	0.5
83.01387	4.9
84.01722	1.2
84.45992	0.4
85.02963	2.1
87.00887	1.7
89.02463	1.2
93.03477	0.9
96.96004	3.3
99.04560	0.6
101.02444	2.2
111.08118	0.7
113.02411	0.8
113.06097	0.6
121.02971	4.2
122.03252	1.4
123.03464	0.5
123.04520	0.8
123.44437	0.6
127.11322	0.7
131.28302	0.4
133.02966	1.7
134.03703	0.5
135.04541	1.9
135.08200	0.6
136.05360	1.3
137.02490	0.8
137.09732	1.0
140.03360	0.5
149.06061	1.9
150.06850	29.9
151.04060	0.6
151.07277	1.2
152.03445	0.9
155.10814	0.7
161.02434	3.7
162.02821	0.9
162.06848	0.7
163.07639	5.9
164.08420	6.6
171.10272	0.6
175.04022	0.7
176.08450	0.6
178.09995	1.4
178.46690	0.6
179.03506	1.2
179.10757	16.3
180.11116	0.7
190.29297	0.5
213.73045	0.5
228.06642	0.8
233.39740	0.6
234.64430	0.5
236.09802	0.9
237.11246	0.7
261.18622	0.5
278.18814	0.5
306.18448	1.2
321.20721	1.7
341.23303	0.5
343.21173	5.5
356.12701	2.0
357.12961	4.2
358.13174	3.2
359.13556	2.2
371.14957	5.3
372.15283	13.2
373.15573	8.3
374.15872	9.2
385.40524	0.7
459.31223	0.8
462.29770	2.5
477.32193	8.1
478.32526	0.9
504.30728	1.2
505.31577	2.7
506.31851	0.6
517.21271	0.8
518.21234	3.5
522.32031	2.0
523.32690	24.2
524.33069	3.0
536.22437	0.7
649.39642	2.0
685.37958	100.0
686.38275	17.6
695.56073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94716	0.5
52.79195	0.5
57.03458	0.9
59.01369	3.9
61.98827	18.7
65.42999	0.5
69.37884	1.2
69.38288	2.8
71.01374	6.1
73.02912	0.5
76.00825	0.5
78.64172	0.5
85.02948	6.3
89.02436	2.4
95.01382	3.0
113.02448	13.4
114.02845	0.6
117.03480	1.2
123.04479	1.0
126.82951	0.5
132.02174	1.8
133.02951	31.5
134.03305	0.8
135.04520	13.5
153.05544	0.9
161.02432	100.0
162.02788	3.8
179.03510	2.1
220.03865	0.6
226.13338	0.6
247.92633	0.6
250.35077	0.6
315.10870	0.8
326.71140	0.6
461.16412	3.5
468.43735	0.8
571.59875	0.7
623.19745	84.4
624.20032	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	686.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81888	0.6
59.01373	3.9
61.98824	13.2
64.26430	0.7
69.85036	1.2
69.85430	1.8
71.01389	2.0
73.02943	1.8
87.00846	1.2
89.02444	1.5
101.02428	2.1
115.33244	0.7
123.04536	0.7
131.03470	1.3
132.02139	1.6
133.02946	29.9
134.03285	0.8
135.04515	19.6
136.04848	1.0
143.03542	1.5
153.05553	0.7
161.02432	100.0
162.02760	5.2
179.03487	10.1
205.07111	2.0
343.04004	0.6
381.18088	0.7
443.15585	1.0
461.16727	3.1
623.19733	76.4
624.19971	14.3
651.18988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83483	0.6
56.79749	0.6
57.03432	0.9
59.01375	7.6
61.98825	16.6
69.28166	4.5
71.01379	9.6
85.02950	7.1
89.02441	6.1
95.01398	2.8
101.02442	2.0
105.53411	0.6
108.02140	0.8
109.02995	0.7
113.02439	17.3
117.03462	0.8
119.03518	1.4
123.04497	1.9
126.71648	0.7
132.02185	1.7
133.02953	27.0
134.03667	1.4
135.04520	20.2
136.04845	1.4
150.03188	0.9
153.05562	1.9
161.02431	100.0
162.02768	5.6
179.03482	9.6
179.05093	0.9
180.03835	0.8
184.49962	0.6
191.05629	1.4
235.32442	0.7
251.05685	0.8
297.09735	0.9
299.01907	0.7
315.05206	2.1
315.10828	2.1
331.01392	0.6
340.50275	0.8
440.27036	0.6
461.16733	6.2
468.03598	0.6
498.24420	0.8
545.56476	0.6
623.19781	90.1
624.20099	16.2
666.08838	0.8
679.36816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.6
61.98830	13.3
65.03990	0.9
71.01373	3.3
71.52290	0.6
73.02952	2.7
85.02952	1.8
87.00876	1.3
89.02428	1.5
101.02464	3.1
103.03987	0.9
115.04034	0.8
117.03452	0.7
119.03522	0.7
119.05043	1.2
123.04539	1.2
125.02424	0.8
129.01938	1.7
131.03485	0.7
132.02194	1.9
133.02954	32.2
134.03685	1.9
135.04523	28.2
136.04851	1.3
143.03529	1.3
161.02435	100.0
162.02811	4.2
163.04048	2.2
175.04083	0.6
179.03496	14.9
180.02385	0.6
180.03885	1.2
183.06647	1.7
205.07210	1.5
221.04482	0.6
293.06598	1.0
305.22842	0.6
315.10800	0.9
346.06854	0.7
403.10608	0.6
443.15533	1.1
461.16821	3.3
623.19775	91.6
624.20087	15.7
651.19073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27467	0.3
58.64424	0.3
59.01375	0.4
60.41228	0.2
61.98827	100.0
67.95140	0.3
70.34425	0.4
70.34783	0.8
71.01376	0.3
72.38110	0.3
98.19868	0.3
133.03026	0.3
135.04491	0.3
161.02429	0.7
165.96846	0.3
274.22482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02317	1.1
57.03449	1.3
58.00584	1.2
59.01375	30.1
60.00255	1.1
61.71362	1.1
61.87622	1.2
61.98810	1.2
65.03968	8.6
68.49581	1.2
68.99809	13.3
69.03468	5.7
70.76789	2.6
71.01376	23.8
72.02223	1.0
73.02919	2.0
81.03443	2.9
83.01357	3.7
85.02942	8.8
87.00872	4.3
89.02438	19.5
91.05527	2.2
93.03455	9.8
95.01370	2.2
95.04997	3.8
97.02910	1.8
99.00877	7.4
101.02438	14.5
103.05499	1.2
107.04993	4.8
108.02164	69.1
109.02926	3.4
109.06559	1.6
111.00871	3.1
111.04484	1.1
113.02441	12.0
119.03493	6.5
119.05016	10.4
121.02926	5.0
121.06552	7.5
123.04498	3.2
125.02433	1.4
129.01932	3.1
133.02914	1.2
135.04500	12.0
135.08215	1.1
137.02408	3.3
137.06081	10.9
139.03998	16.8
140.04324	1.5
143.03407	1.4
145.02933	1.9
147.04504	16.9
149.06039	2.7
151.04030	2.0
153.05547	2.7
161.02443	1.2
161.04572	1.8
161.06046	2.0
163.03940	3.8
165.05550	63.3
166.05844	3.5
173.04506	1.7
177.05548	1.3
179.05606	2.7
179.11125	1.1
181.05075	4.3
183.06612	7.2
191.03697	2.0
191.05577	23.3
199.05998	1.6
207.06636	1.7
209.04506	16.3
267.05493	1.1
315.07492	0.9
315.10794	19.1
316.11002	2.1
327.10770	13.2
337.09235	8.2
371.09784	37.0
372.10147	4.5
385.11380	22.5
386.11639	2.7
389.10797	3.6
431.11813	4.1
465.17065	1.5
479.15314	1.8
491.14069	4.8
507.15182	1.6
525.15546	4.0
687.21277	100.0
688.21686	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	687.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58829	0.9
53.62415	0.9
54.41977	1.0
55.01874	1.7
57.03442	3.0
58.95521	1.1
59.01379	10.6
61.98811	2.7
68.99817	2.0
69.03421	1.9
70.70229	1.0
71.01379	15.0
71.51691	1.4
72.99307	2.3
73.02944	21.6
74.96861	1.3
75.00861	3.6
79.25158	1.0
83.01379	4.2
85.02939	8.8
87.00877	9.7
89.02440	5.4
93.03460	3.0
95.01366	3.7
97.02931	2.5
99.00877	21.4
99.83030	1.3
100.71693	1.1
101.02443	18.8
104.11532	1.2
107.04998	1.3
108.02176	24.7
109.02947	2.2
111.00887	28.0
111.04495	1.5
112.01253	1.5
113.02449	15.2
115.00369	6.0
119.05022	6.4
121.02966	2.3
121.06591	1.1
123.00890	2.9
123.04503	11.0
125.02424	3.7
127.00345	1.8
127.04031	1.4
129.01929	20.4
131.03482	10.5
133.02939	2.1
135.02969	2.0
135.04558	6.2
137.02402	3.8
137.06039	2.3
139.04005	3.1
141.01942	11.8
145.02919	4.4
147.04404	2.5
149.06032	1.8
151.04053	1.7
151.07742	1.1
153.01872	1.3
153.05571	21.6
159.02982	100.0
160.03290	3.5
160.56099	1.2
161.02411	2.8
163.02727	2.0
163.03999	19.3
165.05560	7.7
171.06595	4.7
175.02493	1.7
175.04008	3.1
179.03513	1.7
180.05867	1.2
181.05057	6.4
183.06633	1.8
191.05606	62.4
192.05925	1.8
193.05032	3.9
195.06622	1.9
209.04352	1.3
211.06117	15.2
223.05971	2.7
231.81990	1.3
237.07645	2.5
241.07185	1.9
255.08763	2.7
265.07138	4.2
267.08652	2.5
281.06763	2.0
283.08197	33.1
284.08521	3.0
313.09253	13.9
314.09631	2.3
315.11243	1.6
333.11942	2.8
353.08734	10.0
371.09671	2.1
373.11502	5.9
391.12350	13.6
392.12503	1.6
465.17511	4.6
473.12982	4.7
533.14880	2.1
687.21570	7.8
688.21637	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	687.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.9
61.98819	2.7
69.77983	1.8
69.78385	1.3
71.01377	5.3
73.02943	1.2
85.02953	2.2
89.02419	2.8
93.03456	2.0
95.01379	1.4
98.20663	0.8
99.00889	0.5
100.69427	0.5
101.02440	2.9
107.04982	1.2
108.02164	36.6
111.00833	0.8
113.02449	2.8
115.00362	0.5
117.03454	2.3
119.03471	1.1
119.05044	1.0
121.02953	5.9
122.03741	6.3
123.04479	1.9
127.68829	0.5
132.02177	7.5
133.01392	1.4
133.02959	7.3
134.03738	32.9
135.04538	12.5
136.01648	1.9
136.04843	0.6
137.02438	1.5
147.04504	4.3
148.05228	3.1
149.02426	11.5
149.06059	6.5
150.03217	35.3
151.03741	2.0
153.05566	2.3
158.03697	0.9
160.01651	40.9
161.02435	12.8
161.04506	0.7
162.02808	2.2
163.04018	0.7
164.04747	2.2
165.05560	28.3
166.05882	1.2
173.06017	2.4
174.03293	0.8
175.03989	61.8
176.04750	12.1
177.01913	1.7
177.05542	1.1
178.02704	3.5
179.03508	1.9
180.04259	1.5
189.05605	0.6
191.07114	15.9
192.04308	1.4
193.05037	38.1
194.05380	2.1
195.06595	11.6
196.58618	0.5
207.06592	4.9
217.04965	1.0
220.03746	2.2
235.06081	38.2
236.06406	2.8
239.06926	1.1
247.06070	1.0
250.06256	0.9
251.07103	0.5
253.08675	0.9
265.07111	9.3
266.07559	0.7
278.05859	0.6
282.08929	2.6
289.07178	0.6
295.08197	11.1
296.08487	1.0
297.09879	1.3
309.07629	0.7
311.09277	0.7
315.10922	0.6
327.12454	0.7
337.09131	0.7
341.10205	11.0
342.10629	1.4
355.10837	3.5
371.11319	1.4
383.11279	10.1
384.11392	1.0
389.12329	4.8
390.12833	1.1
413.12088	1.4
431.13394	4.1
432.13599	0.8
443.13562	0.9
489.14584	0.6
491.15561	100.0
492.15887	11.0
505.16898	0.7
624.20148	4.7
625.20306	0.7
639.20734	1.5
687.22266	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.1
61.98828	5.7
68.46807	0.9
69.29195	5.3
69.29609	2.6
71.01379	5.4
73.02945	1.3
85.02950	2.2
88.94020	0.8
89.02435	2.9
93.03448	2.6
98.20762	1.4
101.02427	2.7
108.02164	33.6
113.02457	2.6
117.03468	3.8
121.02940	3.2
122.03730	7.6
123.04520	1.7
125.15346	0.9
132.02158	11.1
133.02953	14.4
134.03757	31.5
135.04530	16.7
136.01680	1.4
136.04884	1.1
147.04477	4.2
148.05280	2.4
149.02448	8.9
149.06047	6.3
150.03215	44.7
151.03610	1.1
153.05579	1.3
158.03690	2.3
160.01639	47.4
161.02437	31.2
161.04448	1.3
162.02742	8.4
164.04836	1.2
165.05547	32.2
166.05885	1.3
173.06052	1.6
175.03986	65.4
176.04776	11.5
177.01784	1.0
178.02654	3.7
179.03473	4.5
180.04153	3.0
191.07114	16.5
193.05032	37.5
194.05499	1.7
195.06569	14.2
207.06628	4.7
220.03694	3.0
235.06087	39.0
236.06409	3.2
247.06071	1.1
265.07196	8.2
295.08099	11.5
317.22931	0.9
321.15543	1.6
341.10217	3.4
347.17188	1.1
355.10504	2.1
371.11603	1.1
383.11246	3.0
491.15561	100.0
492.15921	12.9
624.20087	25.3
625.20135	3.2
651.20093	1.1
651.32013	1.1
687.29828	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	687.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.3
61.98830	20.3
65.59962	1.5
67.21703	1.5
69.65566	7.0
69.65979	2.9
71.01377	15.0
73.11599	1.6
80.05072	2.7
83.01391	2.3
85.02950	3.2
89.02418	8.5
94.02995	3.2
101.02443	7.8
101.03040	1.7
104.05064	5.8
106.06618	5.2
108.04570	2.0
113.02451	5.7
118.02994	11.7
119.03501	4.7
119.96571	1.5
124.07696	2.5
130.06662	1.6
132.02220	1.5
132.04543	13.9
133.02959	30.3
134.03687	2.3
135.04475	9.2
136.07671	19.4
146.06148	2.0
147.03294	2.3
148.04056	2.8
150.03264	2.4
158.02507	2.4
160.04027	3.8
160.05244	2.0
160.07701	2.9
161.02432	86.6
162.02803	3.6
166.05119	3.8
173.06075	3.6
174.05608	3.7
176.03513	9.3
177.05566	1.7
179.03503	5.9
179.05629	1.7
187.04013	4.5
187.07602	1.7
190.05119	3.1
197.10869	2.8
202.06293	14.6
209.07283	1.7
211.08739	2.7
211.13326	2.8
212.07158	3.8
220.02748	2.5
220.20238	1.8
221.04465	2.2
223.08797	5.0
224.09468	14.2
225.10289	9.8
227.08159	3.5
234.04033	2.0
234.07982	1.8
235.08760	4.2
237.10321	9.0
239.11871	34.6
239.14113	2.3
240.09070	2.4
240.12221	2.1
241.09790	3.3
243.11342	15.1
249.10318	2.0
250.07448	5.2
251.08185	7.4
253.09930	2.1
255.11414	13.4
257.12921	10.9
265.09781	15.1
267.11420	8.4
271.11035	5.5
273.12463	8.3
281.09424	3.7
283.13425	10.4
293.09442	3.4
299.10336	3.6
301.14478	8.0
309.15091	6.3
311.10370	6.4
327.16019	10.0
345.17194	3.9
355.09299	2.5
358.12912	1.9
375.16159	2.0
388.16840	6.9
390.18240	22.7
391.18616	2.7
400.16589	3.0
416.15872	2.1
422.17352	8.4
434.17178	14.1
442.17603	4.8
452.18176	16.5
481.22211	1.6
486.16724	4.4
499.23895	1.8
508.22626	1.9
523.23358	15.1
524.23669	2.1
525.23395	25.1
526.23883	5.2
531.20508	3.2
549.21289	10.1
567.22418	42.6
568.22974	5.4
593.20361	17.3
594.20709	3.6
611.21350	88.1
612.21783	16.6
637.19421	11.4
638.19885	3.2
643.23920	8.3
655.20435	53.8
656.20386	11.4
669.22400	6.2
670.23419	3.5
687.26215	100.0
688.26367	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	687.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.5
61.98825	38.5
63.68030	1.2
69.46077	2.1
69.46487	6.3
71.01353	4.8
73.02957	1.2
78.36594	1.2
80.05032	5.4
85.02888	1.2
89.02412	1.3
90.03495	1.6
92.36326	1.4
94.02960	4.0
96.96017	7.8
98.20739	1.5
98.66521	1.3
101.02413	4.1
104.05064	8.3
106.06620	7.2
108.04520	3.0
113.02420	3.5
118.02970	12.6
121.05274	1.5
122.06110	1.6
124.07629	3.0
132.04539	18.0
133.02892	2.9
134.06070	2.1
135.04364	1.9
136.07674	23.7
148.03986	4.9
150.05527	1.5
158.02441	2.5
158.05917	1.2
160.03947	3.3
160.07614	2.4
161.02354	5.5
161.04657	1.7
163.03888	1.3
168.08119	1.9
174.05495	4.1
176.03526	10.8
179.03416	2.0
190.04973	3.6
210.07918	2.8
211.08672	3.4
211.52838	1.3
212.07213	6.3
213.10353	1.6
220.02460	2.8
221.07187	1.5
223.08630	5.6
223.12378	1.6
224.09502	21.6
225.06580	2.5
225.10234	9.5
226.07333	2.1
227.08235	2.8
227.11723	1.6
235.08627	5.3
237.10283	11.6
238.10873	2.0
239.08150	2.6
239.11864	38.6
240.08963	3.0
240.12161	2.2
241.09776	6.2
243.09111	1.5
243.11366	18.0
244.11684	1.8
249.10289	2.9
250.07359	5.4
251.08258	11.9
253.09634	4.3
255.11316	12.8
256.11575	1.3
257.12891	15.4
263.08209	1.9
265.09778	16.7
267.11389	13.8
271.10812	6.1
273.12399	7.7
281.09198	3.3
283.10599	2.2
293.09137	6.7
299.10184	5.2
311.10220	6.6
325.11990	1.3
339.09335	1.3
341.11343	1.7
352.14594	1.3
354.08484	1.4
355.09061	3.7
360.13309	1.5
368.13702	1.3
374.14783	1.8
375.15656	3.3
382.11737	2.0
386.14438	1.9
387.15607	1.7
388.16544	7.2
389.16895	2.0
390.18182	32.9
391.18210	4.1
400.16425	2.3
411.23883	1.2
416.15967	3.3
422.17075	8.3
423.17661	1.6
427.15326	1.5
434.17102	16.6
442.17508	4.0
452.18216	19.3
453.18329	2.2
481.21808	3.3
486.16513	4.8
507.19913	2.1
519.16138	2.0
523.23535	17.8
524.23541	2.3
531.20123	4.7
534.18213	1.5
537.21667	2.1
549.21655	13.3
550.21484	2.0
567.22382	59.4
568.22534	7.0
575.19025	2.8
583.30609	1.5
593.20367	26.1
594.20422	4.6
611.21368	100.0
612.21710	18.9
637.19373	12.9
638.19458	2.9
643.24323	11.7
643.34241	2.6
644.24854	2.1
655.20392	65.8
656.20929	11.3
669.22021	8.8
669.31445	1.9
670.22552	2.7
686.37897	1.5
687.22681	41.7
687.39478	2.1
688.23468	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	687.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	16.4
61.98824	24.4
63.99506	0.7
66.77731	0.6
71.01369	9.5
71.53596	0.9
73.02934	2.0
80.05039	0.7
80.96523	1.5
83.01391	1.6
85.02953	2.9
87.00867	1.1
89.02424	6.7
94.24099	0.7
95.01398	1.5
96.96021	1.7
101.02445	6.7
105.03439	1.0
109.02892	0.8
111.04578	0.7
113.02452	4.6
119.03479	2.7
120.99651	0.9
121.02949	2.1
122.06132	3.5
123.04518	0.8
125.05967	0.8
125.91309	0.7
132.02165	2.6
133.02942	44.8
134.03835	3.4
135.04518	22.4
146.03728	1.6
147.04477	1.1
149.02449	1.3
150.02779	0.8
151.03926	0.7
159.04488	2.5
160.05263	2.6
161.02426	100.0
162.02783	5.0
169.12260	0.9
171.10236	3.0
172.05269	1.6
173.06026	2.0
174.06821	1.1
177.05553	0.9
179.03485	11.9
179.05585	1.2
180.03760	0.9
187.03925	4.1
187.07500	0.9
197.11850	1.9
201.05510	2.2
202.04535	1.4
202.06337	15.7
203.03503	1.8
203.06882	0.9
209.11861	7.5
211.13376	3.9
220.19066	0.8
221.04292	0.9
223.09726	1.7
227.12833	1.2
242.47211	0.7
250.52281	0.8
257.15338	0.9
283.13354	13.6
284.13577	1.2
285.12366	1.1
293.09244	0.9
299.16592	1.3
300.85333	0.8
301.14450	7.1
302.14651	1.0
309.14938	5.9
310.91583	0.7
314.03812	0.7
327.15955	10.5
328.16403	1.4
329.13901	1.4
341.08792	1.1
345.17056	4.9
357.32803	0.9
371.14822	0.9
507.22144	3.2
525.23358	78.4
526.23761	11.7
535.23456	0.9
579.22308	2.0
623.21173	3.2
627.34839	0.7
644.36511	1.4
645.35431	1.7
655.24109	5.1
656.24286	1.2
671.24371	2.8
671.74695	1.8
672.24689	1.6
687.26331	64.9
688.26660	12.9
698.20947	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03456	0.6
57.73505	0.5
58.00611	0.8
59.01378	10.4
61.74266	0.4
61.98836	3.5
68.99558	1.4
69.03446	3.7
69.31823	1.4
69.32236	2.6
71.01380	6.9
71.05006	2.2
72.99294	0.5
73.02927	1.5
73.06383	0.5
80.02684	0.7
81.03445	1.0
83.01377	0.7
83.05022	5.3
84.02176	0.6
85.02942	2.2
87.00867	1.1
89.02437	2.6
94.26877	0.5
95.01385	1.0
95.05023	0.8
97.06535	0.9
98.20609	1.0
99.00905	0.7
101.02428	5.4
109.06580	0.9
112.98565	1.5
113.02440	3.3
117.46951	0.5
119.03526	0.9
123.08129	1.5
125.09702	2.9
133.02945	1.8
135.04532	1.9
135.08153	0.6
151.11270	1.9
153.12808	1.6
161.02455	4.9
161.04527	0.9
161.09653	3.7
161.99231	0.5
163.11301	4.3
165.12851	1.9
171.10295	1.4
178.02675	0.6
179.03491	2.3
179.05655	0.5
179.10771	6.5
181.12274	0.8
187.07635	2.3
188.08026	0.7
191.10794	0.7
197.11824	64.2
198.12199	3.7
203.03412	0.5
207.10220	1.2
209.11818	47.7
210.12166	3.2
215.07082	1.1
223.09776	1.3
225.11205	0.9
227.12863	4.0
241.10757	4.2
253.09337	3.4
257.08136	3.8
295.10849	0.7
299.59982	0.5
341.08652	1.2
422.38400	0.5
471.70245	0.6
476.13467	0.6
477.19568	2.1
525.23517	1.6
611.21808	0.8
643.24103	0.9
655.21143	1.0
669.31622	1.9
687.32263	100.0
688.32599	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	687.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19895	0.8
55.01873	1.1
57.03442	0.9
58.00590	3.8
59.01374	100.0
60.01700	1.5
60.99296	1.1
61.98824	48.4
69.03425	0.9
69.23636	2.1
69.24038	6.0
71.01376	58.6
72.99296	6.2
73.02605	0.9
73.02948	8.6
75.00819	0.9
83.01376	9.0
85.02937	11.9
87.00871	4.3
88.98807	4.3
89.02439	67.6
90.02756	0.9
95.01377	4.5
96.96025	1.3
99.00893	1.0
101.02432	36.7
103.89387	0.9
108.02175	4.7
113.02443	36.3
114.02741	1.0
116.92889	1.0
119.03485	28.7
120.03817	1.0
121.02951	1.9
123.04487	1.6
125.02470	1.3
130.06711	0.9
131.03470	4.7
133.02942	1.8
135.04500	2.0
136.05223	1.0
137.02438	1.4
143.03484	8.8
149.04561	4.7
149.06035	0.9
150.06821	1.2
153.05513	0.8
161.02480	4.4
161.04533	15.1
179.03487	2.1
179.05605	17.9
214.53569	0.7
221.06653	2.5
224.09540	0.9
239.11768	1.8
265.09750	1.3
267.11212	2.0
281.09116	1.0
283.13165	1.4
371.14777	8.2
372.15436	1.3
390.18054	2.0
434.17191	1.5
452.18097	1.0
523.22809	1.1
549.21539	1.7
567.22113	3.3
583.31085	2.6
593.20081	2.1
595.69800	0.9
601.32495	3.3
611.21307	7.5
637.19824	1.2
643.23322	1.9
643.33014	3.2
644.33496	1.0
655.20569	6.8
656.20648	1.0
669.22589	1.1
687.22272	4.3
687.39563	7.2
688.23889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51563	2.1
51.22859	2.2
53.92551	2.4
59.01381	8.0
60.40512	2.4
61.98826	100.0
71.01385	6.3
78.38844	2.4
89.02460	6.0
101.02428	7.4
107.82941	2.3
119.03513	2.7
162.82455	2.8
210.28429	2.5
229.91321	2.9
235.08020	2.5
243.55490	2.4
255.23280	18.1
293.32288	3.0
336.13284	2.5
397.13449	43.0
398.13678	5.3
415.14365	11.2
653.37799	6.8
689.35199	39.9
690.35565	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	690.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
61.98831	18.9
71.01369	1.2
73.02938	1.8
96.07870	0.8
104.25752	0.7
133.02924	2.0
135.04494	1.8
137.02484	1.0
145.41209	0.8
161.02432	7.7
162.02809	1.3
162.79181	0.9
179.03508	2.1
189.05498	1.0
191.01151	0.9
201.22775	0.8
225.98053	0.9
277.21799	1.0
334.12238	1.3
415.14728	2.6
465.15735	1.0
481.15198	4.7
482.15628	1.2
495.16666	8.5
496.16681	1.6
507.17438	0.8
508.17285	1.7
509.00931	0.9
533.19019	1.0
535.15918	1.3
536.16803	1.8
540.16162	3.6
542.19751	1.1
551.19385	26.2
552.19635	8.3
554.18872	1.5
572.15613	2.7
586.16766	1.7
591.27844	1.0
595.17682	3.8
596.17334	1.2
627.20947	100.0
628.21216	29.2
630.21399	1.9
672.30737	4.4
672.81342	2.9
673.31146	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72672	0.1
58.00574	0.1
59.01380	0.9
61.98828	100.0
62.98537	0.2
66.81889	0.1
69.49413	0.3
69.49817	0.8
71.01383	0.5
83.01394	0.4
87.00887	0.2
87.11638	0.1
89.02460	0.3
93.03486	0.2
96.96037	0.4
101.02469	0.4
110.38388	0.1
113.02483	0.1
116.92896	0.2
127.49133	0.1
133.02905	0.1
137.02481	0.5
140.44138	0.1
145.88689	0.1
161.02435	0.3
166.11217	0.2
183.43240	0.1
209.11887	0.4
210.12074	0.1
281.06613	0.2
282.07111	0.1
356.91293	0.1
357.31558	0.1
412.40710	0.2
434.20767	0.1
483.26239	0.2
484.26862	0.3
493.35629	0.2
521.08966	0.1
653.21771	0.2
654.23138	0.5
690.34875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.8
61.98835	0.7
65.03953	0.9
68.99818	2.9
69.03445	0.5
69.54160	1.9
71.01380	3.0
73.02939	0.4
81.03465	0.5
83.05038	0.3
85.02940	6.3
87.00858	1.7
89.02440	0.8
91.05491	0.5
93.03445	3.5
93.07674	0.3
95.05022	0.6
98.20631	0.6
99.00880	1.2
101.02424	2.0
101.78872	0.3
107.05009	0.6
109.02964	1.0
111.04509	0.8
113.02462	1.0
118.62743	0.3
119.03489	0.4
119.05007	1.3
121.02928	0.7
121.06592	1.1
127.04043	1.5
127.04780	0.3
133.02942	0.5
135.04510	0.9
137.06090	1.7
139.04007	1.9
147.04509	3.2
149.05945	0.4
157.08636	0.4
159.02922	0.3
161.02412	2.5
161.04533	0.7
163.04010	0.5
165.05568	8.6
165.47734	0.3
166.05852	0.7
171.03056	0.6
173.04538	1.0
179.03424	0.6
181.05081	0.5
183.06569	0.5
191.05597	100.0
192.05983	3.5
209.04509	2.1
247.49869	0.3
319.13950	1.0
327.10867	1.6
348.00632	0.3
353.08752	17.6
354.09048	1.3
371.09720	1.6
389.14456	1.6
502.57910	0.4
529.19281	0.7
581.28082	0.3
691.24530	16.4
692.24603	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	691.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81910	1.4
55.01860	1.5
57.03444	1.3
58.00586	4.2
59.01374	100.0
61.98829	7.5
65.03963	5.9
69.03462	2.9
69.46632	5.9
69.47045	2.7
71.01378	81.4
72.99302	4.7
73.02944	1.8
83.01362	2.3
85.02940	15.7
87.00887	5.7
89.02438	98.4
90.02778	1.4
93.03416	2.4
95.01372	7.2
101.02438	33.1
113.02439	34.3
119.03502	36.0
119.04948	1.7
119.85062	1.2
121.06581	5.0
125.06084	1.9
131.03494	5.3
135.04512	5.1
139.03992	14.2
143.03481	10.6
147.04486	1.4
149.04524	5.0
151.07745	1.2
161.04544	15.1
161.06071	7.7
165.05544	7.8
179.05600	77.0
180.05888	2.4
183.06573	6.6
191.05591	13.9
192.05943	1.5
209.04460	1.4
253.24504	1.4
271.09607	2.6
301.09348	1.3
316.47446	1.2
345.11765	4.6
353.08823	1.3
375.12915	3.3
389.10822	21.8
390.11337	3.4
451.16116	32.2
452.16193	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	691.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.0
60.25500	0.4
60.47571	0.5
60.99032	0.5
61.98829	0.9
65.03951	2.6
68.99813	10.6
69.03456	1.7
69.84312	0.5
70.74622	0.5
71.01376	10.0
73.02946	2.0
81.03458	1.4
83.01382	2.4
85.02950	9.7
87.00868	2.3
89.02437	3.7
91.05520	1.2
93.03446	5.4
95.01388	0.7
95.05016	1.9
99.00880	3.6
101.02438	5.3
103.05482	1.2
107.05001	1.4
108.02154	0.6
109.02954	1.3
109.06568	1.6
111.00866	1.2
111.04495	1.5
113.02457	4.3
119.03495	0.7
119.05025	4.8
121.02929	2.2
121.06558	3.8
123.04531	0.9
125.02476	0.7
127.03998	1.6
133.02953	1.2
135.04523	1.8
135.75069	0.5
137.06075	4.7
139.04001	6.7
143.03459	0.8
147.04520	9.8
149.06073	1.2
151.03915	0.6
155.07164	0.6
157.08707	2.4
161.02461	2.9
161.04517	2.1
161.05856	0.8
163.04018	1.0
165.05559	29.7
166.05908	1.4
171.02975	0.7
173.04590	1.2
179.03444	0.9
181.05110	2.4
183.06589	1.8
191.05603	100.0
192.05931	5.0
209.04543	6.9
232.70279	0.5
319.13846	2.9
327.10812	6.4
337.08856	0.7
345.11780	0.6
353.08728	20.2
354.09073	1.9
371.09775	9.1
389.10287	0.5
389.14603	6.1
390.14871	0.8
408.41553	0.6
483.18759	0.9
511.18219	1.4
529.19049	1.5
598.65356	0.6
691.24432	53.0
692.24615	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	691.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41532	0.4
59.01369	2.2
61.98804	0.8
69.27505	1.1
69.27917	2.9
71.01378	2.0
73.02931	0.7
76.79915	0.4
85.02942	0.9
89.02448	0.6
91.08810	0.5
93.03444	2.1
96.96015	1.8
101.02438	1.4
113.02447	0.9
117.03439	0.7
121.02956	2.3
122.03755	5.6
132.02164	7.4
133.02931	2.2
134.03745	17.6
135.04532	0.9
136.01628	1.1
137.02441	0.8
149.02444	7.8
149.06105	2.5
150.03226	39.9
151.03572	1.1
157.08688	1.0
160.01656	47.2
161.02071	2.4
164.04790	1.1
165.05571	34.1
166.05824	1.2
175.03999	59.8
176.04343	3.9
178.02756	1.2
179.03377	0.8
180.04175	2.6
184.40808	0.6
193.05058	20.8
194.05356	1.2
195.06616	14.3
196.06963	0.9
235.05962	0.7
282.09015	1.1
341.10355	2.4
371.11261	3.2
495.18692	100.0
496.19006	14.5
673.25153	1.6
691.25879	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	691.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.6
61.98835	5.2
69.03436	0.8
71.01377	15.2
71.53199	0.6
72.29023	0.4
72.99271	0.7
73.02947	2.3
81.03420	0.5
83.01393	1.9
85.02948	3.5
87.00858	2.6
89.02437	12.0
95.01392	1.2
96.96005	4.8
97.02937	1.5
98.27452	0.5
99.00873	1.2
100.43945	0.5
101.02436	11.6
101.33527	0.5
113.02439	5.9
114.02742	0.6
119.03476	3.8
121.02940	0.7
125.02419	3.5
129.91364	0.5
135.04646	0.4
137.42467	0.4
143.03458	2.0
149.04482	0.5
161.04544	2.0
171.10216	1.1
177.12805	0.4
179.05647	2.6
179.14400	0.8
195.13898	7.3
195.43381	0.5
196.14497	0.5
209.11894	0.6
211.13345	1.1
221.06764	0.9
223.13394	6.0
228.13699	0.6
235.08191	2.9
253.09258	1.1
256.12955	1.0
275.20087	4.1
287.07761	1.0
293.21207	100.0
294.21521	10.5
305.08737	0.7
323.09857	0.6
356.12628	0.6
371.14816	1.3
397.13455	23.6
398.13699	2.1
415.14548	28.4
416.14859	2.4
467.31650	1.1
469.33179	6.1
470.33691	1.0
487.34247	7.1
488.34555	1.1
513.32208	1.0
596.26526	0.7
631.38123	1.5
691.36786	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98830	0.8
71.01379	0.4
73.02934	0.4
73.64669	0.1
79.95657	0.1
83.01369	0.2
83.43949	0.1
85.02945	0.1
89.02416	0.1
96.96012	1.2
98.95602	0.1
99.92572	0.2
101.02439	0.4
102.12434	0.1
106.77549	0.1
113.02439	0.2
115.92104	0.2
116.92845	1.1
133.02945	0.2
135.04504	0.3
136.64650	0.1
161.02426	0.4
161.04475	0.1
179.03540	0.2
183.13924	0.1
209.11789	0.1
229.48499	0.1
379.30008	0.2
391.29968	0.2
409.31058	0.4
487.34232	100.0
488.34586	17.5
529.35394	0.3
691.27344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43271	0.1
56.17419	0.1
59.01373	2.3
61.98829	0.8
64.49020	0.1
68.99812	0.2
71.01362	0.3
73.02945	0.2
83.01402	0.2
85.02947	0.2
89.02444	0.2
96.96019	1.2
98.19829	0.2
101.02444	0.4
101.39123	0.1
113.02409	0.2
116.92863	0.5
120.82449	0.1
133.02887	0.2
134.46471	0.1
135.04556	0.2
137.15900	0.1
143.03499	0.2
161.02393	0.3
179.03430	0.1
191.64268	0.1
229.01021	0.1
250.72333	0.1
379.30026	0.2
409.31110	0.2
469.33160	0.2
487.34241	100.0
488.34586	17.3
493.35382	0.3
529.35309	0.4
571.36243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.3
59.01377	3.7
61.98827	3.1
71.01379	1.4
71.53693	0.3
73.02937	1.3
79.85107	0.2
79.95733	1.3
83.01382	0.3
85.02931	0.6
87.00880	0.3
89.02437	0.5
96.96004	22.6
101.02438	1.4
113.02451	0.5
116.92860	1.4
119.03516	0.3
131.03494	0.3
133.02937	0.7
135.04488	0.6
137.02490	0.2
161.02452	1.6
179.03479	0.9
194.40295	0.2
201.05542	0.2
209.11691	0.3
255.53069	0.2
485.32657	0.3
486.33133	0.3
487.34232	100.0
488.34573	17.3
488.53397	0.2
501.35913	0.3
529.35236	0.6
556.21527	0.9
557.22113	0.3
631.36133	0.3
691.27679	2.0
692.29053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11140	0.1
56.88969	0.1
59.01374	0.4
59.61265	0.1
61.98826	100.0
62.98528	0.3
71.01399	0.3
71.50767	0.2
79.52667	0.1
85.02953	1.1
87.00877	0.3
90.69924	0.1
93.03474	0.5
96.96008	0.4
101.02445	0.2
111.04546	0.2
113.02441	0.3
119.05026	0.9
120.05423	0.2
125.69341	0.1
127.04021	0.2
133.02979	0.2
135.04483	0.3
159.02966	0.9
161.02467	0.2
163.03996	0.8
164.04353	0.4
173.04547	0.4
174.44012	0.1
177.01967	0.2
179.03625	0.1
191.05597	12.2
192.05949	3.2
193.06123	0.2
203.01224	0.2
256.95154	0.1
329.59555	0.1
333.11948	0.3
337.09415	0.5
338.09647	0.2
351.07217	0.3
353.08704	1.1
354.08997	0.7
373.91595	0.1
529.52844	0.1
692.22772	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20922	0.1
59.01372	0.3
60.68151	0.1
61.98824	100.0
62.98515	0.2
68.59855	0.1
69.31071	0.3
69.31483	0.7
71.01369	0.3
73.02930	0.1
85.02934	0.5
87.00857	0.2
89.02472	0.1
93.03459	0.3
96.96017	0.1
98.20684	0.2
99.00884	0.1
101.02438	0.2
111.04527	0.1
113.02458	0.1
116.35810	0.1
119.05035	0.2
120.68327	0.1
125.02428	0.1
127.04070	0.2
129.01912	0.2
133.02977	0.3
135.04532	0.3
143.12944	0.1
159.02988	0.6
160.03287	0.2
161.02338	0.2
161.03516	0.2
163.04036	0.3
164.04414	0.1
173.04420	0.2
177.01917	2.1
190.24017	0.1
191.05588	9.3
192.05960	0.9
226.17902	0.1
259.61493	0.1
279.84253	0.1
307.26044	0.1
315.10214	0.1
339.07025	0.7
353.08719	1.3
354.09055	0.2
475.15060	0.1
692.20605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.9
61.98826	25.5
62.98526	0.3
67.01872	0.2
67.64307	0.2
71.01373	1.3
73.02935	0.5
81.03486	0.3
85.02945	3.6
87.00871	0.7
89.02441	0.5
89.03954	1.2
93.03447	2.1
93.42113	0.2
96.95999	0.8
97.56468	0.2
98.20678	0.5
101.02460	0.3
104.02664	0.3
105.03460	2.1
108.02183	0.3
108.75793	0.2
109.02986	0.4
111.00900	0.4
111.04501	0.6
113.02433	0.4
119.05011	0.7
125.06016	0.3
127.04006	0.8
133.02946	7.2
135.04515	1.3
137.02422	0.4
148.01666	0.3
149.02383	0.6
159.03018	0.5
161.02446	1.5
163.04019	0.3
165.05446	0.4
171.02979	0.3
173.04501	1.0
176.01091	1.2
177.01915	100.0
178.02266	4.6
179.03552	0.9
191.05594	56.0
192.05948	2.3
193.06058	0.3
215.05560	0.3
241.21103	0.3
339.07166	41.8
340.07504	3.3
351.07077	0.8
353.08749	7.6
353.13098	0.4
354.08890	0.7
355.98013	0.3
385.11423	0.3
705.16876	0.3
706.45111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23128	0.6
59.01369	2.7
60.05401	0.7
61.98815	1.9
68.99563	0.7
70.43568	0.7
78.95872	1.1
85.26628	0.7
98.19833	0.9
101.56645	0.7
112.98560	0.8
120.82333	0.8
121.03020	0.8
133.02939	1.9
145.02948	1.6
156.86473	0.7
161.02444	3.5
179.03586	0.7
182.42805	0.7
377.30664	0.6
394.60306	0.6
457.19223	0.9
480.14365	1.4
496.13788	3.2
497.14523	1.7
510.15118	1.2
511.16504	2.1
512.16754	2.1
538.15057	1.0
544.16119	1.6
597.19623	2.3
598.19934	1.3
599.21698	4.2
600.21667	2.3
615.37054	1.5
622.06415	0.8
633.17358	1.8
643.20410	1.5
657.21967	16.0
658.22424	4.2
693.19653	100.0
693.29413	3.9
693.80090	2.1
694.19922	28.2
694.31671	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36720	0.3
57.54258	0.3
59.01379	31.7
60.03882	0.3
61.14854	0.3
61.98832	1.5
69.76932	1.6
71.01376	0.6
72.99339	0.4
73.56574	0.3
73.57202	0.3
85.02946	0.5
101.02432	0.9
113.02409	0.9
115.92037	0.3
116.92931	0.4
119.03500	0.5
142.94395	0.4
146.09966	0.4
161.02385	0.9
161.04552	0.6
390.71268	0.4
470.40274	0.4
471.34763	100.0
472.35117	15.9
485.36124	0.4
487.34131	0.5
535.70862	0.5
633.39764	1.7
634.40906	0.3
693.05634	0.6
693.42413	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16002	0.3
59.01377	23.9
61.98835	3.3
71.01382	2.6
71.52498	0.6
73.02944	0.9
75.00859	0.6
85.02920	0.8
88.98823	0.6
89.02431	1.9
99.00838	0.4
99.85047	0.4
101.02451	2.5
101.70778	0.4
111.12599	0.4
113.02432	1.9
119.03495	1.7
161.02429	0.9
161.04488	0.8
209.11839	2.6
294.01984	0.5
471.34750	100.0
472.28247	0.8
472.35043	16.6
485.36508	0.7
489.35678	1.1
633.40094	2.9
634.40546	0.6
693.40820	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	34.8
60.01694	0.3
61.98824	2.2
67.74419	0.2
71.01385	1.0
78.95892	0.2
85.02937	0.4
89.02451	0.6
95.74422	0.2
98.19908	0.6
101.02435	1.0
113.02448	0.6
115.92105	0.2
119.03513	0.6
133.02905	0.2
161.02428	0.2
161.04500	0.3
191.05539	0.3
199.79491	0.2
374.59845	0.2
423.32565	0.3
425.40463	0.2
437.05084	0.2
471.34760	100.0
472.35107	16.6
472.42130	0.2
485.36542	0.4
501.70551	0.2
633.40149	1.8
634.40619	0.5
693.42676	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32982	0.3
57.03448	0.5
59.01372	4.2
61.98816	2.6
69.03452	0.3
69.30146	1.7
71.01382	3.5
72.99287	0.7
73.02938	0.7
75.00864	2.1
77.56281	0.2
85.02945	7.3
85.03467	0.4
87.00879	1.8
89.02436	3.0
93.03440	2.1
96.02607	0.2
99.00887	0.7
101.02452	2.0
107.05012	0.3
108.02171	0.9
109.02942	0.6
111.04511	0.9
113.02428	1.1
115.03989	0.2
115.28579	0.3
119.03502	1.0
119.05010	3.7
123.73370	0.2
127.04049	1.8
127.16457	0.2
129.01944	1.8
130.98700	0.2
133.02946	0.9
134.03748	0.6
135.04527	4.3
137.02438	0.5
145.02969	0.2
151.03990	0.4
153.05626	0.5
159.03011	0.9
161.02440	3.8
162.02657	0.3
163.03990	5.0
164.04309	0.2
171.03017	0.3
173.04568	1.1
177.02031	0.2
177.03970	1.0
177.05606	0.8
179.03485	3.1
179.05597	0.7
191.05592	100.0
192.05934	4.7
193.04933	0.4
195.05077	8.8
221.04504	1.0
246.48790	0.2
251.05489	1.1
281.06610	1.8
315.10788	2.9
319.13907	1.0
341.08725	9.7
342.09119	0.7
353.08710	17.0
354.09109	2.1
590.03082	0.3
597.42462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65165	0.2
59.01369	0.7
61.43237	0.2
64.01503	0.2
67.59702	0.2
69.03452	0.3
71.01375	0.6
71.51209	0.3
77.13728	0.2
81.03448	0.3
83.67405	0.2
85.02942	5.7
87.00848	1.0
92.76128	0.2
93.03471	2.1
99.04499	0.4
109.02949	0.3
111.04498	0.8
127.04008	1.5
133.02960	0.4
135.04526	0.9
161.02408	1.4
171.02985	0.5
173.04524	1.1
179.03496	0.9
185.64487	0.2
191.05597	100.0
192.05942	3.7
192.66965	0.2
213.72395	0.2
353.08633	19.7
354.09094	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	695.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42529	0.5
56.63262	0.6
59.01372	1.5
61.98829	3.1
71.01373	2.2
71.47198	0.6
77.52739	0.5
83.01373	7.3
85.02927	0.9
88.98801	1.2
93.03448	2.2
101.02416	1.1
105.03483	0.9
109.02908	0.7
113.02444	1.0
116.43357	0.6
117.03448	1.7
121.02950	10.7
122.03712	2.4
123.04530	1.2
132.02159	3.7
133.02951	40.4
134.03775	5.7
135.04515	30.6
136.01646	0.9
136.04924	0.6
137.02446	1.5
137.06058	1.5
147.04488	0.7
149.06082	2.0
151.04031	0.7
159.04582	1.0
160.01634	9.3
161.02426	100.0
162.02769	4.9
175.03978	12.6
176.04373	1.3
177.01962	0.7
177.05527	3.5
178.02704	0.7
179.01888	1.0
179.03474	15.6
180.03761	0.8
193.05009	3.6
203.03499	1.3
220.03659	0.9
221.04507	3.1
221.08138	0.6
251.05577	0.7
253.80820	0.6
263.05557	0.9
280.05771	0.9
323.07657	25.3
324.08029	1.9
337.09235	18.6
338.09644	1.5
342.10974	1.1
343.11893	0.7
356.12564	9.6
357.13373	10.4
358.13705	0.8
371.14981	2.3
371.87064	0.6
517.87012	0.6
695.23334	63.3
696.23773	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	695.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
59.01373	1.3
61.98822	1.8
65.36127	0.2
71.01375	2.3
71.44905	0.2
73.02944	0.5
77.03970	0.2
83.01376	17.1
84.01699	0.2
84.52893	0.2
85.02941	0.6
89.02423	0.2
93.03457	0.8
95.01385	0.4
95.04974	0.2
99.00912	0.3
101.02422	0.9
103.26703	0.2
105.03439	0.8
107.05041	0.4
109.02937	0.7
113.02419	0.8
115.01933	0.3
117.03477	1.8
121.02941	6.4
122.03757	0.4
123.00880	0.7
123.04523	0.5
125.02420	0.3
132.02159	2.8
133.02943	43.8
134.03825	3.1
135.04509	29.7
136.05321	5.7
137.02426	1.2
137.05722	0.2
147.04506	0.5
148.05238	0.3
149.06107	1.7
155.03348	0.2
157.31664	0.2
159.04520	0.5
160.01648	0.8
161.02422	100.0
162.02756	4.5
163.03973	0.5
168.04308	1.8
173.05984	0.3
175.03970	2.2
176.04370	0.2
177.01880	0.6
177.05544	3.4
178.02707	0.8
178.05852	0.2
179.03476	16.7
180.03809	0.8
193.04980	1.2
195.06609	0.2
199.93433	0.2
203.03485	1.3
204.03661	0.2
205.05161	0.2
220.03725	0.5
221.04536	3.6
233.04442	0.3
235.09691	0.2
251.05511	0.4
263.05453	1.0
280.05856	0.6
285.99130	0.2
305.06689	0.3
307.08411	0.2
323.07660	32.4
324.07935	2.7
337.09164	1.6
356.12646	1.6
357.13397	1.9
358.13837	0.2
367.93509	0.2
371.14886	1.5
510.72287	0.2
651.32312	0.3
695.23334	60.5
696.23718	13.1
696.33502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
55.71521	0.4
56.64223	0.3
59.01376	3.1
61.98828	6.8
68.23306	0.4
69.25366	0.3
70.80532	0.4
71.01385	2.1
71.52528	0.4
73.02955	0.9
77.50631	0.4
83.01384	21.4
85.02940	1.7
87.00874	0.4
88.98799	0.5
89.02445	0.5
89.03999	0.4
93.03463	0.7
96.96007	9.9
96.96617	0.7
101.02444	1.9
105.03462	0.9
107.05003	0.6
109.02962	0.7
113.02435	0.9
116.92812	0.5
117.03464	1.4
119.03466	0.4
121.02946	7.8
122.03746	1.4
123.00922	0.6
123.04491	1.3
132.02162	3.7
133.02951	41.8
134.03789	5.1
135.04518	26.5
136.05339	5.5
137.02438	1.0
137.06070	1.3
138.03233	0.6
142.68069	0.4
147.04504	1.3
148.05365	0.4
149.06084	2.8
152.59677	0.4
159.04498	0.7
160.01634	6.1
161.02432	100.0
162.02754	4.8
163.04039	0.7
168.04277	1.8
175.03983	10.3
176.04431	0.6
177.01965	0.6
177.05550	3.9
178.02684	0.6
179.03496	16.2
180.03827	1.2
191.03481	0.4
193.05070	3.2
195.25737	0.4
199.26048	0.4
203.03539	1.3
220.03781	0.6
221.04527	4.2
221.08122	0.5
263.05786	0.5
280.05969	0.8
281.20956	0.4
323.07684	29.2
324.08090	2.1
337.09290	13.8
337.13345	0.8
338.09665	1.1
342.11108	0.9
343.11981	0.5
356.12680	1.4
357.13406	8.8
358.13776	0.7
371.14978	1.6
408.58188	0.4
494.35599	0.5
540.00897	0.5
695.23297	54.2
695.32678	3.0
696.23639	12.6
696.33655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09999	0.5
54.25024	0.5
55.01871	7.1
57.03446	5.3
58.00591	2.9
59.01374	59.5
59.21239	0.6
60.01713	0.9
60.72569	0.6
61.98825	9.9
67.01891	0.6
68.99809	0.8
69.03472	2.7
69.35423	1.1
69.35828	3.6
71.01376	92.8
72.01712	1.7
72.99306	5.0
73.02943	13.3
75.00846	0.6
81.03453	2.6
82.89096	0.6
83.01382	64.2
84.01711	1.5
84.02161	0.9
85.02943	50.3
86.03296	1.1
87.00871	10.6
88.98799	1.1
89.02438	49.9
90.02777	1.0
93.03448	3.2
95.01379	9.2
96.96001	0.6
97.02955	6.8
98.20607	1.1
99.00876	36.2
99.04536	1.0
100.01199	0.9
101.02435	62.6
102.02799	1.5
108.02187	0.6
109.02911	3.1
111.00880	1.7
113.02440	64.4
114.02771	2.4
115.03953	0.8
119.03497	23.0
119.04884	2.9
120.03824	1.0
121.02946	16.1
122.03754	0.8
123.00875	2.1
123.04560	0.9
125.02444	8.9
130.36803	0.6
131.03500	4.0
133.02939	0.7
135.04483	0.8
136.05304	17.4
137.02435	6.0
138.03224	1.0
143.03487	24.8
144.03822	1.1
146.33386	0.5
147.04503	0.9
149.04553	1.7
155.03494	2.4
159.02963	3.6
161.02626	2.9
161.04543	62.2
162.04831	2.7
163.04008	1.0
168.04268	6.7
179.03348	1.0
179.03809	0.9
179.05614	17.5
179.07207	1.1
180.05914	0.5
203.05602	2.4
205.03477	1.6
221.06651	11.1
222.06848	0.6
235.09837	1.2
245.06703	5.2
255.07675	1.0
263.07715	4.1
283.07343	1.0
295.07245	2.2
309.08752	1.6
311.39911	0.6
323.09799	100.0
324.10117	6.6
337.08301	8.0
338.08905	0.6
356.12552	3.0
371.14948	21.1
372.15256	2.3
389.34952	0.5
446.38553	0.6
489.27380	0.6
619.19098	1.2
651.31506	0.9
663.18005	3.7
664.18646	0.9
695.19836	0.8
695.33893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.9
59.01376	33.9
62.14567	0.6
71.01376	28.5
71.50854	1.3
72.99306	1.7
73.02929	1.6
76.43105	0.7
83.01393	1.7
85.02946	10.7
86.00123	0.7
87.00387	1.0
87.00869	6.7
89.02436	38.2
90.02760	1.0
93.03464	4.6
95.01384	1.7
97.02949	0.7
99.00896	0.6
101.02435	14.5
110.38314	0.6
111.04491	0.6
111.96124	0.6
113.02441	11.4
117.03439	3.7
119.03491	16.5
119.04886	1.3
121.06585	2.4
122.03728	1.1
123.04470	1.2
125.02416	1.1
125.06070	15.4
126.06387	0.9
127.03991	2.2
128.58501	0.6
130.19006	0.6
131.03510	1.8
133.02940	1.6
135.04503	2.3
137.02344	0.6
143.03508	4.5
145.02939	12.9
146.03752	2.8
147.04526	3.2
148.04790	0.7
149.02432	1.5
149.04518	1.6
150.03192	3.4
151.07643	5.5
153.69341	0.7
161.02432	15.4
161.04504	7.1
162.03220	18.0
163.03868	0.6
164.04756	1.4
165.05574	6.8
169.08698	1.8
173.04510	1.7
177.04066	1.1
177.05548	9.8
179.05597	29.4
180.04301	3.8
180.05727	1.0
189.01974	0.7
191.05592	100.0
192.05925	3.7
195.06606	12.1
213.07657	10.0
214.08023	0.9
270.98880	0.7
271.39078	0.7
319.13934	2.1
327.10764	2.6
333.11832	1.0
353.08688	18.1
354.09070	1.9
357.11874	25.6
358.12216	2.5
375.08081	1.2
375.12918	25.4
376.13330	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	695.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24715	1.1
55.01857	1.3
57.03407	1.1
58.00577	1.5
59.01375	48.8
61.98832	5.4
71.01379	33.1
71.38526	1.2
71.52161	2.0
72.99288	3.9
73.02928	3.2
73.21339	1.2
75.00857	1.4
80.66535	1.1
83.01351	2.7
85.02948	9.6
87.00886	2.4
89.02437	27.4
95.01382	2.4
95.04984	1.4
95.94140	1.0
97.02926	1.3
99.00890	1.4
99.04492	1.3
101.02440	21.2
103.04000	1.3
105.69607	1.3
110.20177	1.1
111.00891	2.3
112.45895	1.2
113.02431	12.2
119.03509	7.8
119.04934	1.7
120.05765	1.3
121.02909	1.5
121.05055	12.9
126.68988	1.1
133.02892	2.4
135.04506	4.7
138.03197	1.2
143.03488	2.1
145.02855	1.2
150.03204	1.8
159.02969	1.6
161.02435	10.1
161.04482	5.6
161.13364	14.0
163.04044	1.3
179.03455	3.5
179.05621	4.0
187.11255	18.5
203.03464	1.3
205.12325	16.5
225.01601	1.2
229.12315	1.2
231.10193	2.7
249.11292	5.0
283.10303	19.2
289.72528	1.2
303.08127	1.1
500.44223	1.5
515.21265	100.0
516.21661	11.6
695.27686	79.8
696.28107	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	695.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65297	0.6
59.01376	100.0
60.01696	1.4
61.98831	1.4
71.51932	1.0
78.95906	9.2
101.08535	0.6
189.74626	0.7
193.64021	0.6
205.15936	1.1
268.60629	0.7
413.96097	0.7
456.98383	0.9
564.49426	0.6
695.31122	40.6
696.31494	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	696.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12945	0.2
59.49995	0.1
61.98826	100.0
68.78215	0.2
69.34286	0.3
69.34697	1.1
71.01390	0.2
73.73309	0.2
79.95737	0.7
80.96511	1.8
85.02962	0.2
94.98130	0.4
117.03441	0.2
125.02423	0.2
132.61414	0.2
133.02934	1.7
135.04501	0.9
139.04037	0.3
145.02965	0.5
148.97983	0.2
161.02425	3.0
162.02788	0.2
164.98637	0.2
179.03520	0.4
183.06584	0.2
190.93193	0.2
202.06395	0.2
225.00786	0.6
370.35815	0.2
554.17786	0.2
627.83691	0.2
633.38336	0.4
658.22723	0.6
659.22339	0.4
660.22382	0.3
696.28949	3.8
696.79376	2.9
697.29053	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72593	0.1
61.98825	100.0
63.73286	0.1
70.73994	0.2
70.74319	0.3
73.01943	0.1
73.72060	0.1
79.95732	0.3
80.96511	0.7
133.02927	0.9
135.04529	0.4
135.71886	0.1
161.02432	1.8
164.98540	0.2
169.16426	0.1
179.03572	0.2
203.23247	0.1
225.00725	0.2
357.75357	0.1
696.29108	2.3
696.79285	1.6
697.29230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32024	0.1
59.01374	1.9
61.98824	100.0
65.34325	0.1
71.01390	0.4
71.52847	0.1
73.02947	0.2
74.42916	0.1
83.01389	0.1
89.02448	0.2
91.39633	0.1
101.02464	0.1
109.06618	0.1
113.02480	0.2
116.92869	0.3
133.03026	0.6
135.04477	0.6
137.02448	0.2
151.07678	0.3
161.02435	1.7
162.06862	0.9
167.75447	0.1
177.09196	0.7
177.56369	0.1
179.03513	0.4
189.42973	0.1
211.13475	0.2
407.15445	0.3
416.15787	0.3
416.66379	0.1
472.35141	0.5
473.35602	0.5
474.35785	0.7
534.21033	0.3
534.70496	0.2
636.39691	0.2
637.39899	0.2
652.29626	0.1
653.39136	0.2
655.40784	0.2
696.82495	0.1
697.41766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23403	0.2
59.01375	2.9
61.98825	100.0
62.98537	0.2
71.01385	1.3
71.01735	0.2
71.52327	0.3
73.02950	0.3
80.14643	0.2
83.01424	0.2
85.02948	0.3
89.02457	0.4
94.88522	0.2
101.02444	0.7
109.06654	0.2
113.02429	0.3
116.73020	0.2
119.03409	0.2
126.67068	0.2
133.02963	0.7
135.04521	0.8
140.59628	0.2
161.02437	1.6
177.05589	0.2
179.03508	0.6
211.13437	0.4
262.37076	0.2
327.15851	0.2
375.83679	0.2
407.15137	0.3
407.66187	0.2
416.15723	0.2
472.35449	0.4
473.35587	0.3
474.35550	0.4
526.38416	0.2
534.20660	0.3
636.40369	0.8
654.42010	0.4
696.41486	0.4
696.81232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
57.03447	0.7
58.00572	1.8
59.01376	34.1
60.01695	0.5
61.98829	23.5
69.19889	3.2
71.01379	26.9
72.99301	2.3
73.02941	1.6
76.56049	0.4
83.01385	7.3
83.01844	0.9
85.02945	4.1
87.00869	1.6
88.98792	0.9
89.02439	37.4
90.02776	0.5
93.03440	1.7
95.01360	1.6
98.20616	0.9
101.02435	14.4
104.80267	0.4
108.02168	0.9
109.02893	0.6
113.02439	10.1
119.03493	13.9
121.02963	5.9
122.03719	0.6
123.04512	1.2
131.03490	1.5
133.02950	1.1
134.03737	0.6
135.04504	1.3
136.00682	0.4
136.01643	1.7
137.02419	1.8
139.04005	1.2
143.03456	2.2
145.02937	1.3
146.03668	0.7
147.04570	0.9
149.04521	1.4
150.03218	0.5
151.03944	1.4
159.04422	0.7
161.02414	1.4
161.04529	2.9
161.05936	0.9
163.03983	0.7
175.02461	0.7
175.03928	0.7
177.01936	0.8
177.05516	0.5
179.03336	0.7
179.04025	0.4
179.05644	6.6
180.05952	0.5
204.04297	1.4
205.04903	1.0
211.07635	1.7
219.06583	1.2
223.07587	0.7
237.05519	0.5
238.06322	1.5
239.07080	3.0
249.05426	0.6
250.06131	0.5
251.07207	0.5
252.04305	1.6
253.04979	0.7
263.07050	0.5
266.05844	2.2
267.06586	7.5
268.07349	4.4
279.06677	0.5
281.05002	2.3
281.07788	2.2
282.08957	17.4
283.09509	3.2
296.06873	3.5
296.10477	5.0
297.08029	0.6
297.11194	2.6
307.09830	1.0
313.07376	0.7
314.07941	8.4
315.08298	0.7
321.11057	0.5
322.12354	0.5
328.09586	1.2
362.47601	0.4
366.10995	6.1
371.14978	0.8
372.15237	1.2
381.13434	2.9
431.26617	0.5
439.73804	0.5
469.12601	0.6
473.15430	0.5
487.13748	6.9
488.14340	1.6
502.16220	8.2
503.16458	1.4
517.18622	100.0
518.18988	16.7
518.26819	0.7
637.37903	0.5
653.33527	0.6
697.21753	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.0
61.98830	5.4
66.32395	0.8
69.28954	5.5
69.29363	1.7
71.01373	6.0
72.99271	1.1
73.02925	2.0
81.47718	0.8
83.01388	2.3
85.02947	3.5
87.00873	1.3
89.02437	2.5
93.03430	1.6
95.01379	1.2
98.20657	1.8
99.00832	1.6
101.02438	4.8
108.02164	3.2
108.34305	0.8
109.02966	1.0
111.00852	1.2
113.02441	3.0
119.04999	2.4
121.02939	3.3
123.04488	1.6
124.01656	0.8
134.03685	1.5
135.04504	3.1
136.01660	17.8
136.05345	0.8
136.09435	1.0
137.02409	3.1
151.04007	16.9
160.05327	1.0
161.02391	1.2
161.04555	1.5
163.03964	3.3
164.42220	0.8
172.05350	1.4
173.06056	1.7
174.01625	1.2
175.03983	1.7
176.04744	1.6
177.05478	1.6
189.05519	3.4
190.06332	2.5
191.05560	1.4
193.04919	1.5
209.06081	0.9
238.06224	0.8
241.05028	1.7
253.05038	2.0
255.06758	0.9
265.05081	1.9
266.05774	1.3
267.06509	1.5
269.04398	6.3
270.05148	0.8
279.06506	1.3
280.07465	1.5
281.04623	9.8
281.07748	1.2
283.06082	1.4
284.06812	4.7
287.22299	1.9
292.07150	1.0
293.08096	1.5
295.09677	1.1
296.06924	8.8
297.07559	1.0
298.08453	1.4
299.09180	6.6
309.49564	0.8
311.09113	5.9
313.10809	1.4
323.09384	2.9
324.10022	1.4
325.10513	1.2
335.09320	1.0
336.09955	2.3
337.10828	1.3
338.11496	1.8
339.12332	2.3
351.12415	1.1
366.11032	0.9
381.13556	1.6
399.14285	2.1
427.11545	2.0
429.13596	1.1
431.26297	2.4
439.11890	1.4
442.14200	3.7
445.16293	2.4
449.27521	4.0
456.15750	1.0
457.16595	2.0
459.14584	1.1
460.15149	1.5
472.15158	3.3
473.27271	2.6
475.17395	6.2
476.18103	1.1
487.13544	3.6
487.17987	2.7
488.13995	1.1
490.16208	3.4
491.28510	14.7
492.28775	2.0
502.16330	7.1
505.18655	58.2
506.19110	9.0
517.18616	100.0
518.19061	17.9
535.19910	6.8
536.20013	2.0
697.25916	1.1
697.36890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
58.00582	2.4
59.01376	53.4
60.01725	0.5
61.98827	21.8
64.24775	0.5
69.22350	0.5
71.01379	40.7
71.52074	0.6
72.01741	0.6
72.89316	0.5
72.99310	3.8
73.02935	1.6
83.01378	7.1
85.02943	7.8
87.00868	2.7
88.98813	0.5
89.02440	57.8
90.02764	1.0
91.61431	0.5
93.03449	1.7
94.19895	0.5
95.01384	3.1
96.95995	0.7
99.00940	0.7
101.02437	19.6
108.02174	0.6
109.02945	0.7
113.02444	15.4
114.02792	0.8
119.03500	21.4
120.03853	0.6
121.02959	5.2
123.04559	0.6
125.02403	0.7
131.03490	2.0
134.03708	0.7
135.04485	1.8
136.01680	2.5
137.02391	2.4
139.04024	0.8
143.03549	3.3
145.02933	1.8
147.04478	1.1
149.04556	2.0
151.04012	2.0
156.83734	0.5
159.04626	0.6
160.05270	0.6
161.02419	1.1
161.04544	4.0
161.05823	1.0
163.03978	1.3
175.03952	0.7
177.05576	0.6
179.05602	9.7
181.05086	1.2
195.08102	0.5
204.04285	0.7
211.07619	1.2
219.06668	1.0
223.07632	0.7
224.04932	0.7
225.05493	0.8
237.05540	1.0
237.84546	0.6
238.06317	1.7
239.07108	3.3
249.05476	1.1
251.07054	1.0
252.04282	1.5
253.05032	1.8
254.05582	0.7
266.05826	3.0
267.06564	5.6
268.07309	3.6
279.06512	0.6
281.04526	3.1
281.08081	2.1
282.05322	1.6
282.08914	15.0
283.09604	1.9
296.06860	3.7
296.10471	4.0
297.07846	1.2
297.11292	3.5
303.06717	0.5
307.09790	0.6
314.07901	6.9
315.08240	0.9
328.09457	1.2
366.10977	5.8
367.11209	0.6
371.15323	0.7
372.15085	0.6
381.13104	2.9
431.26096	1.3
459.14706	1.2
469.12997	0.6
473.27328	0.9
487.13852	12.2
488.14163	1.9
501.15430	1.0
502.16312	8.5
503.16321	1.1
517.18634	100.0
518.18933	19.5
593.36139	0.7
653.33801	1.3
693.26898	0.6
697.21417	0.9
697.32935	0.7
698.22101	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45184	0.4
59.01369	3.1
61.98822	8.6
71.01367	2.0
71.18156	0.8
71.62048	0.4
73.02921	0.7
83.01389	3.1
85.02942	1.4
87.42274	0.5
89.02429	0.6
91.13820	0.4
93.03466	0.5
93.16724	0.4
101.02415	1.1
108.02139	0.8
109.02930	1.6
109.30338	0.5
111.00851	0.9
121.02960	6.3
122.03759	0.6
123.00858	1.4
123.04520	1.2
124.01653	1.0
129.65768	0.5
133.02908	0.8
135.04524	1.4
136.01643	9.7
137.02437	6.2
137.06010	0.5
145.02922	1.6
146.03691	0.6
147.04536	0.7
149.06036	0.6
151.03996	10.4
159.04414	0.7
160.05310	0.6
161.02467	1.2
161.04517	0.6
161.06110	1.1
162.03214	1.4
163.03984	3.1
174.03181	0.5
175.03967	1.7
176.04671	0.7
177.05504	1.5
187.03899	0.5
189.05542	1.2
190.06332	1.4
193.05038	0.5
201.05615	0.9
225.05504	1.0
226.06250	0.6
237.05437	0.9
238.06316	1.0
239.07132	0.6
240.04291	1.0
241.05040	1.3
249.44412	0.5
252.04224	0.6
253.04948	2.2
254.05731	1.5
255.06581	1.4
257.07944	0.5
263.07169	0.9
265.05023	1.1
266.05826	1.1
267.06601	1.9
268.07230	0.9
269.04556	4.7
269.07452	0.7
270.05151	0.6
270.08823	0.9
277.08694	0.5
279.06540	1.4
280.07285	1.4
281.04495	4.8
281.07727	0.7
282.05237	1.5
282.08902	2.3
283.06134	1.4
283.09415	0.9
284.06906	4.7
284.09946	0.8
285.07547	2.5
285.10806	0.7
291.06589	1.0
292.07138	0.5
293.08099	1.2
295.06018	1.5
295.09357	0.9
296.06885	6.1
297.07556	2.9
297.18591	0.5
298.05164	0.5
298.08426	1.6
299.09235	6.1
300.09702	0.6
304.07428	0.7
305.08237	1.1
307.05917	0.8
307.09705	0.9
309.07626	0.9
310.08243	0.7
311.09155	3.0
313.10602	2.2
321.07733	1.1
323.09201	2.2
323.12863	0.9
324.09848	0.8
335.09262	0.7
336.09875	0.9
337.10666	0.7
339.12451	0.8
357.13589	0.9
415.11746	0.7
427.11722	0.8
429.13467	0.6
430.14182	1.6
431.14868	0.7
442.14111	1.5
444.15695	1.6
445.17087	3.4
446.17105	1.2
447.14365	0.7
449.27682	0.6
459.14389	1.6
470.13416	0.6
471.14624	1.0
472.15494	1.5
473.15823	0.6
474.17029	0.8
475.13849	4.4
475.18475	1.7
476.14011	0.8
486.16718	0.8
487.13748	13.0
488.14355	1.9
489.15222	0.7
490.16202	9.1
491.16595	1.6
491.28476	2.1
502.16229	12.3
503.16632	1.6
505.18643	97.1
506.18933	17.5
517.18628	100.0
518.18964	19.4
518.26794	0.8
535.19684	2.5
667.24097	0.8
697.24780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.8
61.98826	100.0
62.98524	0.1
71.01369	0.5
71.51508	0.2
72.55693	0.1
74.04906	0.1
85.02948	0.2
87.00871	0.2
89.02451	0.5
101.02464	0.3
108.02175	0.2
113.02464	0.2
119.03534	0.2
125.02471	0.1
135.04530	0.3
136.35239	0.1
137.00328	0.1
159.03050	0.1
165.05647	0.2
172.65775	0.1
191.05571	1.2
192.05765	0.1
255.58138	0.1
285.86856	0.1
315.11008	0.4
317.11414	0.2
338.09436	0.1
361.49606	0.1
375.14816	0.1
593.62714	0.1
698.25696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.8
61.98826	100.0
62.98524	0.1
71.01369	0.5
71.51508	0.2
72.55693	0.1
74.04906	0.1
85.02948	0.2
87.00871	0.2
89.02451	0.5
101.02464	0.3
108.02175	0.2
113.02464	0.2
119.03534	0.2
125.02471	0.1
135.04530	0.3
136.35239	0.1
137.00328	0.1
159.03050	0.1
165.05647	0.2
172.65775	0.1
191.05571	1.2
192.05765	0.1
255.58138	0.1
285.86856	0.1
315.11008	0.4
317.11414	0.2
338.09436	0.1
361.49606	0.1
375.14816	0.1
593.62714	0.1
698.25696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.141
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	1.0
61.65149	0.5
61.98803	0.5
64.98156	0.4
65.00327	1.0
66.73088	0.4
69.69061	0.5
70.06934	1.1
70.07290	1.3
75.81920	0.5
81.75905	0.5
88.98798	3.9
93.03496	0.5
107.01401	2.1
108.02179	1.2
109.02928	0.9
121.02953	1.3
127.70400	0.6
148.01683	0.6
151.00359	6.3
161.02435	1.0
163.00385	1.3
178.99843	4.1
187.03783	0.5
211.03922	0.8
226.02802	0.6
227.03447	1.0
243.02997	5.6
245.04735	0.6
254.02179	1.4
255.02968	16.6
256.03278	1.5
271.02457	36.2
272.02994	3.5
300.02716	68.6
301.03436	28.5
302.03870	2.1
319.03488	0.5
609.14539	100.0
610.14789	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	699.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14171	0.5
59.01376	10.0
59.27072	0.4
59.62982	0.4
60.98689	0.5
61.98825	6.8
64.42803	0.5
65.03945	1.1
69.03458	0.5
69.37388	3.7
71.01383	8.1
72.99299	1.6
73.01118	0.4
73.02937	0.6
81.03484	0.6
83.01379	2.6
85.02941	2.3
86.07492	0.4
88.98789	1.0
89.02435	8.5
89.43017	0.5
90.11701	0.5
91.01864	0.6
95.01362	0.5
96.95975	1.3
99.00888	0.6
101.02428	4.4
108.02180	3.8
109.02944	100.0
110.03272	3.5
113.02447	3.2
119.03545	3.2
119.05013	6.3
121.02944	1.7
122.03748	0.9
123.00858	0.7
123.04510	2.9
133.02945	3.6
134.03740	1.0
135.04503	7.4
135.65916	0.5
136.01648	10.0
137.02438	12.1
139.03984	2.0
145.03040	0.6
147.04478	1.6
148.05321	1.1
149.02383	0.6
149.06042	1.1
150.03160	1.1
151.03987	14.2
155.51428	0.5
159.04495	0.9
160.05307	1.2
161.02434	11.7
161.04523	0.8
161.06061	2.0
162.03178	3.3
163.04004	7.1
164.08215	0.5
165.05562	1.5
167.42717	0.5
173.05962	0.7
175.03951	0.6
175.07607	1.3
177.05557	6.2
179.03458	3.7
179.05580	1.8
180.04134	1.0
189.05472	1.3
193.05011	0.8
205.04962	0.8
209.04352	0.9
221.04501	0.7
239.05534	1.1
266.05771	1.1
267.06583	1.9
271.08124	2.9
281.08096	2.2
282.08777	1.2
287.22229	0.6
293.08105	1.6
314.07861	0.6
315.19577	0.5
323.07614	2.8
341.08691	3.1
343.11499	0.9
353.10193	0.6
353.14001	0.6
357.13141	1.9
368.12607	9.0
369.12512	1.0
383.14957	20.2
383.19873	1.1
384.15118	3.1
391.13901	0.8
427.13870	1.1
430.13922	1.1
433.16406	1.1
444.15723	0.6
445.16541	3.4
462.13132	0.8
463.17477	1.7
477.15308	2.3
489.19318	6.5
490.19131	1.3
493.18658	6.0
494.18735	1.0
519.15436	2.6
520.16974	0.6
537.17572	30.4
538.17773	5.1
616.93304	0.5
652.30988	0.5
681.21655	5.8
682.21924	1.6
699.22668	30.2
699.33386	2.8
700.23010	8.2
700.34113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14171	0.5
59.01376	10.0
59.27072	0.4
59.62982	0.4
60.98689	0.5
61.98825	6.8
64.42803	0.5
65.03945	1.1
69.03458	0.5
69.37388	3.7
71.01383	8.1
72.99299	1.6
73.01118	0.4
73.02937	0.6
81.03484	0.6
83.01379	2.6
85.02941	2.3
86.07492	0.4
88.98789	1.0
89.02435	8.5
89.43017	0.5
90.11701	0.5
91.01864	0.6
95.01362	0.5
96.95975	1.3
99.00888	0.6
101.02428	4.4
108.02180	3.8
109.02944	100.0
110.03272	3.5
113.02447	3.2
119.03545	3.2
119.05013	6.3
121.02944	1.7
122.03748	0.9
123.00858	0.7
123.04510	2.9
133.02945	3.6
134.03740	1.0
135.04503	7.4
135.65916	0.5
136.01648	10.0
137.02438	12.1
139.03984	2.0
145.03040	0.6
147.04478	1.6
148.05321	1.1
149.02383	0.6
149.06042	1.1
150.03160	1.1
151.03987	14.2
155.51428	0.5
159.04495	0.9
160.05307	1.2
161.02434	11.7
161.04523	0.8
161.06061	2.0
162.03178	3.3
163.04004	7.1
164.08215	0.5
165.05562	1.5
167.42717	0.5
173.05962	0.7
175.03951	0.6
175.07607	1.3
177.05557	6.2
179.03458	3.7
179.05580	1.8
180.04134	1.0
189.05472	1.3
193.05011	0.8
205.04962	0.8
209.04352	0.9
221.04501	0.7
239.05534	1.1
266.05771	1.1
267.06583	1.9
271.08124	2.9
281.08096	2.2
282.08777	1.2
287.22229	0.6
293.08105	1.6
314.07861	0.6
315.19577	0.5
323.07614	2.8
341.08691	3.1
343.11499	0.9
353.10193	0.6
353.14001	0.6
357.13141	1.9
368.12607	9.0
369.12512	1.0
383.14957	20.2
383.19873	1.1
384.15118	3.1
391.13901	0.8
427.13870	1.1
430.13922	1.1
433.16406	1.1
444.15723	0.6
445.16541	3.4
462.13132	0.8
463.17477	1.7
477.15308	2.3
489.19318	6.5
490.19131	1.3
493.18658	6.0
494.18735	1.0
519.15436	2.6
520.16974	0.6
537.17572	30.4
538.17773	5.1
616.93304	0.5
652.30988	0.5
681.21655	5.8
682.21924	1.6
699.22668	30.2
699.33386	2.8
700.23010	8.2
700.34113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06771	0.6
55.01843	0.7
55.10145	0.6
59.01376	10.0
61.98825	3.4
65.03958	13.7
68.99821	1.1
69.03437	2.7
69.16845	3.7
69.17271	3.0
71.01382	6.1
72.99298	1.1
73.02938	1.1
75.00836	0.6
83.01379	8.8
84.01703	0.7
85.02941	2.4
87.00868	1.3
87.45057	0.7
89.02438	1.8
93.03442	3.4
95.05045	1.4
96.95995	0.9
98.20684	1.7
99.00854	1.9
101.02428	3.5
103.05573	0.9
108.02163	9.4
109.02940	18.5
111.00952	0.8
111.08155	2.1
113.02435	1.7
115.05499	0.8
119.03523	0.7
119.05025	1.6
121.02950	5.5
121.06583	6.0
122.03737	3.9
123.04520	7.0
124.01646	1.0
133.02927	1.6
133.06580	1.1
135.04506	6.4
137.02435	5.5
137.06088	1.1
138.03189	2.3
139.04004	27.1
143.05011	7.6
146.03716	11.6
147.04527	4.2
156.67714	0.8
159.04506	17.3
160.05284	20.2
161.02415	4.4
161.06061	52.0
162.03146	1.6
162.06386	2.7
163.04013	1.7
163.07632	1.0
165.05522	8.3
169.12216	1.2
172.05255	3.1
173.06055	9.8
174.03171	3.7
175.04005	1.9
175.07652	1.6
179.03477	1.5
183.06610	5.3
197.11789	3.5
203.03368	0.9
204.04266	5.4
205.05020	12.5
206.05424	1.4
209.04529	10.3
211.13443	0.7
215.03386	0.8
219.06602	10.4
259.83707	0.7
263.07245	1.6
265.08566	1.1
267.06564	3.5
271.20612	1.9
274.77405	0.7
280.07288	3.6
281.08136	11.6
282.08871	8.6
296.10413	0.8
297.11279	100.0
298.11649	10.0
327.21677	4.6
328.21982	0.9
340.08920	0.7
341.10251	46.9
342.10605	4.3
357.13522	3.5
375.59161	0.7
414.63223	0.7
477.24982	0.9
496.03043	0.9
537.21118	1.1
655.32916	3.6
699.23761	14.2
699.32538	22.5
700.24530	4.4
700.33472	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	699.323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94146	0.8
55.01871	1.0
57.03438	3.1
59.01376	11.2
61.98828	50.4
65.03960	47.4
66.04292	1.4
67.01887	1.3
68.99812	4.9
69.03450	13.7
71.01012	1.4
71.01378	16.0
72.99293	1.3
73.02934	5.4
81.03445	2.6
83.01378	4.5
83.05004	0.9
85.02943	11.1
86.86280	1.1
87.00877	2.2
89.02442	5.5
91.04240	0.9
91.05555	1.2
93.03458	11.5
95.01388	1.8
95.05033	5.8
97.02952	1.9
97.06573	2.5
99.00847	4.3
101.02436	8.0
103.05518	3.3
105.21196	0.9
106.04244	3.3
107.05049	1.8
109.06618	1.0
111.00865	2.0
113.02435	5.7
114.22420	0.9
119.03471	1.9
119.05005	6.4
121.02953	4.7
121.06596	27.1
122.06915	1.7
123.04503	1.2
126.43752	0.9
135.04515	2.2
137.06067	3.3
139.04005	99.4
139.07629	1.9
140.04315	2.4
147.04507	2.6
149.06096	0.9
161.02441	2.5
161.04538	1.5
163.03989	1.1
163.07613	1.8
165.05565	34.9
166.05859	2.0
171.10242	6.4
179.03520	1.2
183.06612	25.2
183.13844	2.1
184.06943	1.8
191.14317	1.9
209.04541	56.0
210.04901	3.4
211.13356	7.6
213.93001	1.1
221.11842	2.2
227.05621	2.4
229.14430	4.4
235.13448	1.4
291.19675	1.3
309.20560	1.5
327.10846	1.2
327.21722	21.5
328.22131	1.8
345.11905	3.6
351.21689	2.8
357.13239	1.7
369.22861	1.2
389.10913	2.5
469.23688	1.0
501.11853	1.2
552.77710	1.0
655.33313	20.9
655.43408	1.6
656.33685	3.6
662.02289	1.1
699.32275	100.0
700.20972	1.3
700.32581	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	699.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92141	4.0
57.03417	6.6
59.01374	84.8
61.91061	5.8
61.98833	68.0
71.01376	23.1
71.52367	7.5
73.02946	10.0
83.01373	12.9
83.05029	5.9
85.02959	9.9
85.53329	4.4
87.00870	8.2
89.02441	11.4
96.95993	9.6
101.02450	20.0
109.06584	5.3
111.08150	10.0
113.02440	13.7
121.02892	5.2
121.06593	8.2
133.02930	9.8
135.04504	7.6
135.08163	12.6
139.04036	7.3
139.07666	15.0
156.98476	4.5
159.90047	4.7
161.02434	15.0
161.04555	5.7
162.06866	15.2
171.10257	67.3
177.09151	17.6
209.11774	11.6
211.13408	10.2
215.14412	8.2
231.13860	5.1
233.15378	23.3
235.08267	12.4
249.14909	22.8
253.09126	6.8
261.42633	4.6
273.17215	4.7
367.22784	5.3
371.15234	22.0
375.25076	5.0
385.23862	14.1
403.24924	36.3
407.19162	5.1
421.26004	8.7
595.38739	6.2
608.42987	5.2
621.32654	86.2
622.33325	7.3
639.33777	100.0
640.34344	16.3
655.40393	15.4
699.41565	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	699.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27288	1.7
59.01377	89.8
61.98827	28.8
71.01388	8.0
71.52275	2.1
72.99298	1.7
73.02939	2.7
83.01369	3.2
85.02946	5.2
87.25930	1.6
89.02438	2.3
101.02442	9.2
113.02441	3.4
120.05806	21.9
128.97408	1.9
133.02904	2.1
135.08162	100.0
136.08434	6.9
151.07713	2.0
161.02394	3.5
161.04539	5.0
197.66821	1.8
203.01276	1.7
207.57622	1.9
250.35036	1.7
261.50571	1.6
301.42276	1.6
371.15018	2.2
373.08865	2.0
423.27545	5.6
441.28513	23.5
459.29559	22.4
460.29947	2.7
478.72968	1.8
501.30527	3.4
538.21320	2.0
577.37286	5.9
595.38483	12.2
613.39319	9.1
614.39270	1.9
655.40692	28.1
656.40308	4.8
699.42554	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	700.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21510	0.8
53.54573	0.8
56.26627	0.8
59.01368	3.1
61.98838	4.2
65.73482	0.7
69.30297	5.0
71.01369	3.6
73.02920	1.7
73.03599	0.7
77.16483	0.7
83.07357	0.7
85.02946	1.0
87.00877	1.8
89.02439	1.3
93.03462	1.8
100.41582	0.7
101.02455	1.4
108.14910	0.8
109.02942	16.9
121.02911	2.8
123.04513	5.8
132.02138	0.9
133.02948	21.1
134.03674	0.9
135.04510	9.0
136.47723	0.8
137.02444	2.5
139.03995	2.7
148.05110	0.9
149.02428	4.0
150.03235	1.1
151.04018	4.5
159.87631	0.8
161.02428	47.1
162.02751	3.1
163.03963	0.9
165.01907	4.3
166.02686	1.8
167.03473	10.8
168.03876	0.7
175.03935	0.8
179.03468	6.3
191.05608	0.9
197.60977	0.7
221.04405	1.2
268.87387	0.8
277.95737	0.9
329.08704	2.1
390.95642	0.7
457.13461	9.2
475.14532	28.1
476.14749	2.7
572.08551	1.0
637.17664	100.0
638.17926	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	700.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.4
61.98819	4.2
67.70705	0.8
70.63469	1.0
71.01383	3.3
71.51496	1.5
73.02922	1.3
85.02934	1.4
87.00874	1.5
89.02441	1.7
93.03439	1.6
101.02439	1.7
109.02954	18.4
113.02443	1.2
121.02936	3.6
123.04480	5.3
125.02475	1.2
131.07083	1.6
132.02126	1.7
133.02962	22.9
135.04507	9.3
137.02417	2.8
139.03973	3.5
149.02438	4.4
151.03981	4.3
161.02431	54.5
162.02750	4.0
162.72440	1.0
163.03966	1.1
165.01971	4.5
166.02650	2.3
167.03471	12.0
168.00562	1.1
175.04056	1.2
179.03455	6.1
183.06483	1.0
191.05579	1.8
204.72296	1.0
213.75386	1.0
221.04532	1.0
221.77655	0.9
309.71838	1.0
329.08829	2.5
356.83069	1.1
400.71112	1.1
457.13382	8.1
475.14520	27.2
476.14914	2.5
637.17682	100.0
638.18073	17.9
701.23572	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	701.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00879	2.1
59.01074	2.2
59.01371	37.9
70.98785	1.7
70.99135	4.3
71.01376	34.2
72.99291	2.5
73.02942	3.4
83.57433	1.7
85.02945	5.6
87.00870	12.8
89.02434	46.9
98.42295	1.8
101.02440	35.5
113.02443	19.0
119.03464	11.3
125.02400	6.1
143.03459	10.3
161.04543	7.2
174.99100	2.1
179.05589	31.1
203.05592	4.3
221.06709	11.5
263.07733	1.9
341.10812	15.5
353.64709	2.0
383.11887	48.6
384.12146	3.7
441.60336	1.9
443.14163	12.1
485.15213	10.9
503.15958	2.9
539.13794	9.7
665.21344	100.0
666.21747	15.0
701.18982	49.0
702.19128	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.3
60.34171	0.4
60.40433	0.5
63.67758	0.5
65.03965	7.5
68.99831	0.6
69.03451	2.8
69.90073	0.4
71.01374	3.7
71.51447	0.5
73.02956	0.9
74.06978	0.4
75.00868	1.9
83.01379	0.5
85.02943	1.3
87.00868	1.2
89.02441	1.6
93.03454	1.3
95.05022	1.1
97.02952	1.6
99.00865	0.7
101.02435	2.5
109.02948	8.3
113.02447	1.5
119.03533	0.9
119.05035	5.7
121.02876	0.5
121.06598	4.5
125.06095	0.6
133.06599	0.8
134.03748	1.0
135.04518	14.4
136.04843	0.6
139.04005	12.5
139.05025	0.9
140.04326	1.0
143.05008	8.9
144.05342	0.5
145.02927	0.8
145.06561	1.2
146.03711	1.5
147.02985	0.9
147.04469	1.4
149.06075	7.5
150.06436	0.5
151.04042	1.1
158.03680	0.6
159.04544	2.4
161.02438	0.7
161.06068	12.7
162.06461	0.9
163.04002	10.3
163.07628	0.8
165.04030	4.1
165.05557	8.7
171.03078	0.9
171.04500	12.4
172.05026	1.0
174.03226	3.8
177.05547	2.4
179.03502	1.2
183.06615	6.6
187.03983	0.9
188.04742	2.0
189.05559	100.0
190.05902	6.1
193.05046	0.9
207.06613	8.1
209.04507	1.9
219.06509	0.6
221.04546	1.4
227.05609	1.1
231.06609	1.6
233.04582	2.8
249.07698	1.9
251.05562	7.2
267.08603	0.6
281.06592	0.6
311.07706	16.7
312.08002	1.0
345.07919	0.9
345.11841	7.1
346.12323	0.9
389.10864	30.1
390.11179	3.2
456.24081	0.4
685.94116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01719	1.1
97.56947	0.3
115.67307	0.3
161.02414	0.4
264.53580	0.4
437.12704	1.0
438.13394	4.2
439.13684	1.1
452.14935	2.0
455.09744	0.5
467.13489	0.6
470.12137	0.7
471.45349	0.4
479.13425	0.8
480.14178	0.9
481.15170	31.3
482.15442	8.7
494.15689	0.5
495.16705	12.1
496.17200	3.5
497.18390	5.0
498.18387	1.2
514.14954	2.1
515.14960	0.8
523.16003	1.0
525.13763	0.4
526.14648	0.4
528.16681	0.4
539.15674	2.3
540.16455	8.9
541.16797	1.8
553.17151	0.9
553.99921	0.4
554.18103	2.7
555.18817	53.7
556.19019	13.2
567.18829	0.9
572.15405	14.9
573.15863	4.2
586.17120	6.0
587.17181	1.3
609.19769	1.8
610.20251	0.4
612.83850	0.4
627.20972	1.4
641.22491	26.4
642.22772	9.5
701.24603	70.7
702.24829	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	701.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.41175	0.6
61.98830	2.4
62.39839	0.6
68.86711	0.6
71.51587	0.9
73.44044	0.6
73.66776	0.6
145.02904	0.8
151.91115	0.6
161.02477	0.8
255.23268	0.9
262.54892	0.7
437.12381	1.0
438.13260	3.7
439.13541	1.1
451.14139	1.1
452.14966	1.8
453.15271	0.8
455.10049	1.2
467.13525	0.9
480.14346	0.6
481.15143	43.3
482.15433	9.2
495.16702	11.8
496.17068	3.1
497.18225	5.0
498.18280	1.2
514.14636	2.2
523.16211	0.9
525.14276	1.0
539.15662	2.8
540.16443	11.2
541.16669	2.6
553.16901	0.9
554.17743	3.5
555.18835	74.2
556.19055	19.1
567.19092	3.2
568.19348	0.8
569.20062	1.7
572.15521	23.9
573.15778	4.8
586.17029	5.6
587.17072	1.9
599.21759	1.6
609.19830	1.5
627.20526	2.0
641.22528	34.5
642.22882	10.6
658.18860	1.3
701.24622	79.1
701.81738	1.3
702.24786	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	701.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43709	0.6
55.01855	1.7
57.03419	1.9
58.00566	2.8
59.01377	51.3
61.98800	1.4
69.03435	0.7
71.01377	31.4
71.52545	0.8
72.99281	2.8
73.02941	3.3
80.61171	0.6
83.01354	2.2
85.02943	7.9
87.00865	4.3
89.02441	20.8
93.03418	0.9
95.01363	2.5
97.02908	1.2
99.00851	1.3
99.04472	2.3
101.01826	0.9
101.02438	14.0
107.05024	1.4
108.02164	42.5
109.02914	2.1
111.04487	1.0
113.01706	1.0
113.02441	9.1
118.19215	0.6
119.03491	7.5
122.03679	1.0
123.04530	3.6
125.02441	1.4
131.03496	0.7
133.02895	0.9
133.10217	0.7
134.03703	3.2
135.04518	13.5
135.08144	1.2
135.11801	5.4
136.04829	0.9
136.63185	0.6
145.49530	0.6
146.03720	0.9
147.11717	1.0
149.06026	2.2
151.03941	1.0
153.05537	3.2
159.11728	2.8
161.02364	2.0
161.04517	1.0
161.09683	6.2
175.11139	1.1
177.12852	5.8
179.05548	1.7
179.07098	1.1
179.10750	25.9
191.01904	0.9
193.12300	6.6
203.10706	1.1
208.30388	0.6
221.11790	12.3
222.12039	1.2
223.09692	6.5
235.06023	2.7
257.77795	0.7
265.10770	1.5
281.13867	1.5
283.06830	0.9
283.10114	0.7
297.09705	1.7
314.67917	0.8
315.10815	6.1
325.12933	0.8
347.17099	1.6
403.15546	0.8
477.21286	1.0
521.20215	100.0
522.20581	17.4
527.07037	0.8
645.27991	1.0
647.28595	0.7
701.26593	74.1
702.26868	17.3
727.82855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	100.0
71.52633	27.8
86.38914	20.5
123.73363	24.3
161.02432	28.9
223.13318	41.3
591.37744	30.0
628.21686	24.2
701.32623	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40555	1.1
57.03458	2.2
59.01375	10.3
61.98830	9.2
65.03961	51.8
68.99805	7.8
69.03451	10.7
71.01379	11.3
71.53049	1.5
71.61997	1.0
73.02936	3.8
78.37837	1.0
80.97427	1.2
81.03448	1.6
83.01385	1.9
83.05016	1.5
85.02950	7.2
87.00867	1.3
89.02434	3.3
90.79863	1.1
93.03461	11.0
94.15759	1.3
95.05022	5.2
99.00859	5.9
99.08153	2.8
101.02422	6.7
106.04264	2.2
107.05047	1.7
113.02420	4.4
119.05014	5.6
121.02901	2.6
121.06599	31.6
132.13568	1.2
135.04498	1.6
137.05988	2.7
139.04010	95.6
140.04285	3.1
145.02928	2.8
161.02419	3.3
165.05573	31.4
166.05893	1.2
171.10284	2.3
183.06631	21.9
183.13878	2.9
187.07527	1.4
191.14378	4.1
209.04538	52.4
209.11684	1.2
210.04913	3.7
211.13367	10.1
229.14467	7.3
235.13452	2.7
243.15919	1.2
253.14336	1.3
293.21216	1.6
311.22299	1.9
329.23279	26.2
330.23611	1.9
345.11835	3.0
353.23410	2.2
371.23877	1.4
389.10812	2.4
479.33517	3.3
657.34760	16.5
658.34967	4.1
701.33813	100.0
702.34149	24.7
730.62573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01376	69.8
60.01707	0.5
61.98825	9.5
70.19717	0.5
71.01392	6.6
73.02940	2.5
83.01392	1.9
85.02946	4.3
89.02415	0.7
96.96014	2.3
99.00892	1.6
101.02435	4.8
111.00854	0.6
111.86484	0.5
113.02457	3.6
119.05012	0.7
120.05802	19.4
121.06155	0.8
123.04531	0.6
133.02928	2.7
133.06633	1.0
135.04541	2.2
135.08154	100.0
136.08499	4.6
139.04033	1.2
159.02985	1.0
161.02470	4.9
161.04532	2.8
177.05492	0.6
179.03505	2.5
179.10576	0.7
281.06741	0.8
299.25888	1.7
300.73770	0.5
321.03592	0.6
341.08670	1.4
402.54886	0.5
406.72461	0.5
435.35327	0.6
443.30115	13.3
444.30524	1.9
453.35953	1.0
458.92462	0.5
461.31158	40.3
462.31500	6.3
497.27408	0.9
503.32196	5.3
504.32355	1.2
524.11365	0.6
561.37860	2.0
579.38995	6.1
580.39246	0.8
597.39978	8.3
598.40253	1.2
615.41077	4.8
616.41272	0.8
639.41284	1.1
657.42224	10.8
658.42194	2.2
701.28113	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.5
61.98834	5.9
71.52982	1.1
71.53371	1.4
73.02934	1.6
80.86333	0.9
85.02982	1.1
87.00858	1.4
88.65978	1.1
89.02449	3.3
95.49108	1.0
98.31512	1.0
101.02440	4.8
101.07638	1.1
103.03990	1.7
109.02942	3.0
113.02443	1.2
113.74287	1.1
117.18961	1.1
119.03553	1.1
123.04522	7.8
125.02394	1.5
132.02164	1.2
133.02957	33.1
134.03709	1.2
135.04530	24.5
143.23494	1.1
149.02393	2.1
150.03221	5.8
151.04001	15.6
161.02437	100.0
162.02792	3.9
175.04085	1.1
177.05595	3.3
179.03482	26.1
180.03880	1.3
187.07640	1.4
202.06383	1.9
203.03470	6.0
205.07169	1.2
209.28351	1.3
221.04582	1.8
231.10339	1.7
243.85455	1.1
441.09445	1.1
457.15546	3.9
475.16617	1.4
477.13892	1.8
487.14435	3.9
529.15332	3.2
550.26630	1.2
612.15656	3.1
621.18250	17.1
622.18616	2.9
639.19287	70.4
640.19452	11.7
643.28497	2.1
700.49365	1.4
703.27966	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	702.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.5
61.98834	5.9
71.52982	1.1
71.53371	1.4
73.02934	1.6
80.86333	0.9
85.02982	1.1
87.00858	1.4
88.65978	1.1
89.02449	3.3
95.49108	1.0
98.31512	1.0
101.02440	4.8
101.07638	1.1
103.03990	1.7
109.02942	3.0
113.02443	1.2
113.74287	1.1
117.18961	1.1
119.03553	1.1
123.04522	7.8
125.02394	1.5
132.02164	1.2
133.02957	33.1
134.03709	1.2
135.04530	24.5
143.23494	1.1
149.02393	2.1
150.03221	5.8
151.04001	15.6
161.02437	100.0
162.02792	3.9
175.04085	1.1
177.05595	3.3
179.03482	26.1
180.03880	1.3
187.07640	1.4
202.06383	1.9
203.03470	6.0
205.07169	1.2
209.28351	1.3
221.04582	1.8
231.10339	1.7
243.85455	1.1
441.09445	1.1
457.15546	3.9
475.16617	1.4
477.13892	1.8
487.14435	3.9
529.15332	3.2
550.26630	1.2
612.15656	3.1
621.18250	17.1
622.18616	2.9
639.19287	70.4
640.19452	11.7
643.28497	2.1
700.49365	1.4
703.27966	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	702.188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15712	0.6
59.01369	2.7
61.98822	11.6
68.99809	0.8
69.21996	5.7
73.02948	1.0
85.02934	1.0
89.02444	0.9
98.19956	1.4
101.02441	1.7
105.03475	1.2
109.02950	1.8
113.02442	1.4
121.02937	0.8
123.04507	6.7
132.02136	1.5
133.02951	31.1
134.03786	0.8
135.04512	22.7
136.04822	1.0
149.02461	0.7
149.06116	1.9
150.03217	6.0
151.04004	14.6
152.04327	1.2
161.02428	100.0
162.02769	3.9
168.84312	0.8
171.40511	0.7
175.04016	2.0
177.05505	4.0
179.03482	23.0
180.03864	1.7
193.05089	0.8
202.16304	0.7
203.03455	6.8
221.04494	3.0
233.04514	1.3
487.14624	2.9
529.15875	2.4
621.18213	15.9
621.28021	1.2
622.18372	3.3
639.19226	76.5
640.19659	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	703.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
57.03429	0.9
57.71567	0.8
59.01378	12.9
63.71485	0.7
65.03960	25.4
66.04309	0.8
68.99809	1.5
69.03463	6.0
69.69718	3.4
70.29423	0.7
71.01379	12.9
72.99303	0.8
73.02943	2.9
83.01383	3.3
85.02948	5.5
87.00863	1.9
89.02450	7.5
93.03447	4.1
95.01379	3.8
95.05033	3.5
99.00880	2.4
101.02427	7.8
103.05547	1.0
104.99846	0.7
106.04256	0.9
109.89745	0.6
111.00867	12.3
113.02458	6.0
119.03483	2.3
119.05000	3.0
121.06596	16.1
122.06870	0.8
129.02005	1.0
137.06093	1.0
139.04007	36.3
139.07634	0.8
140.04314	1.1
140.27521	0.9
141.01933	35.7
142.02185	1.0
152.51498	0.7
159.02910	1.3
161.04558	2.0
163.07637	0.8
165.04172	1.6
165.05553	23.1
166.05928	0.8
183.06613	20.5
184.06999	1.1
191.05588	4.4
209.04503	6.6
216.89731	0.8
227.05519	2.3
253.48296	0.8
264.88309	0.7
345.11871	23.5
346.12341	1.9
389.10870	100.0
390.11115	10.0
390.15680	1.1
417.87042	0.8
643.32275	0.7
687.93976	0.9
689.09192	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
58.00591	0.9
59.01380	11.2
65.03960	24.8
66.04311	0.8
66.77132	0.6
68.99810	1.5
69.03449	5.5
70.69517	1.2
71.01377	11.5
73.02935	2.3
83.01378	1.8
85.02946	4.9
87.00854	1.9
87.59213	0.7
89.02449	6.6
93.03458	3.9
95.01363	1.0
95.05013	2.6
99.00871	2.0
101.02444	7.8
103.05547	0.8
106.04229	1.1
107.05011	1.1
110.87387	0.6
113.02452	4.6
114.73882	0.6
119.03485	2.8
119.04998	3.4
121.02922	0.6
121.06591	16.7
122.26324	0.5
130.91978	0.6
135.68684	0.6
137.06026	0.8
139.04008	36.8
139.07632	1.5
140.04282	1.5
160.00826	0.5
161.04533	1.3
163.07607	1.6
165.04160	1.3
165.05553	22.4
183.06607	20.8
184.06958	1.3
188.36124	0.6
191.05560	1.2
207.06714	0.8
209.04532	6.3
226.01416	0.6
227.05568	2.4
329.08542	0.7
345.11871	24.3
346.12238	1.6
389.10858	100.0
390.11224	10.2
496.79361	0.7
511.76749	0.6
523.18066	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	703.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
59.01376	57.7
61.98837	3.1
71.01376	27.7
71.52128	2.4
72.99313	2.9
73.02950	16.1
75.10415	1.6
78.36701	1.5
80.96528	3.4
83.01397	10.8
83.05032	2.1
85.02929	7.6
87.00858	3.8
89.02440	11.8
95.01383	2.5
99.00861	3.2
99.04527	2.3
101.02441	27.9
101.03100	1.9
111.00890	1.8
113.02405	12.6
116.53587	1.5
119.03489	5.3
124.84163	1.7
125.02409	4.3
125.09702	2.3
127.04026	1.9
133.02934	4.3
135.04547	2.5
137.02330	2.0
143.03500	3.4
161.02484	9.2
161.04547	3.0
163.00339	2.0
179.03514	3.2
181.12204	1.5
197.11792	2.2
207.10249	5.6
209.11794	11.6
225.11237	4.9
227.12833	2.4
275.20224	7.2
293.21234	24.6
294.21460	1.8
317.21301	2.3
364.53210	1.7
437.25452	6.2
455.26498	43.9
456.26758	5.5
479.26340	13.7
497.27542	100.0
498.27859	14.8
569.53918	1.6
635.30890	2.1
671.33368	2.2
687.30017	2.7
703.28827	7.5
704.30371	2.3
709.12799	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50781	0.2
57.77962	0.2
59.01372	1.8
61.98813	0.9
66.95892	0.2
69.40774	1.2
71.01376	0.9
73.02950	0.2
75.21697	0.2
79.95734	3.9
82.95411	4.0
83.01394	0.6
85.02989	0.2
85.61860	0.2
86.54642	0.2
87.00867	0.2
88.66051	0.2
89.02435	0.7
92.05022	0.2
92.05862	0.2
95.95214	0.2
96.96004	100.0
97.95940	0.4
98.19899	0.3
101.02455	0.6
113.02436	0.2
117.50319	0.1
119.03487	0.2
119.05038	0.3
125.02425	0.2
125.06063	0.3
135.04477	0.2
140.78780	0.2
145.02936	0.2
161.02365	0.3
163.04024	0.2
169.05038	0.6
308.41895	0.2
366.73398	0.2
371.14847	0.3
523.25391	0.2
610.15619	0.2
703.32037	40.2
704.32434	8.4
704.41650	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95635	0.6
55.01873	1.3
57.03432	1.0
59.01376	21.3
61.98824	7.8
68.02243	0.6
69.03460	0.7
70.52744	1.4
71.01377	9.0
72.99309	0.9
73.02938	3.0
80.02665	1.8
81.03448	3.8
83.01385	2.4
83.05021	7.6
84.02145	1.5
85.02943	3.2
87.00851	2.0
89.02439	6.2
90.13108	0.7
93.03445	0.9
95.01366	0.9
95.05025	2.8
96.96003	1.3
97.02935	3.8
99.00874	1.6
101.02433	7.7
107.05050	1.0
109.06579	25.5
110.03710	0.9
113.02438	3.2
116.92841	1.7
119.03514	1.1
120.05766	1.2
121.06568	1.2
125.02401	0.7
125.06039	0.8
125.09717	1.7
133.02962	2.0
134.11940	0.7
135.04520	1.7
135.08134	9.4
136.05290	1.0
136.08472	2.1
137.02412	1.0
139.04016	5.4
142.02713	1.4
143.03505	0.7
145.10185	0.8
149.09715	0.6
161.02412	4.4
161.04553	3.1
161.09584	1.3
163.11269	16.0
163.79994	0.7
164.11615	1.2
165.12836	3.3
171.10214	1.5
179.03401	1.8
181.12376	4.4
185.11800	2.1
187.09827	0.9
189.09229	1.0
191.10725	0.8
196.14774	0.7
197.11855	1.5
201.11320	0.8
207.10240	57.1
208.10600	3.3
209.11806	100.0
210.12144	6.4
211.13194	0.6
221.11830	1.0
223.08167	1.0
225.11308	25.4
226.11589	1.6
227.12851	16.0
235.08202	2.9
247.13474	1.4
249.11237	1.5
253.09256	8.1
265.14493	1.1
293.21048	1.0
302.62173	0.7
373.23810	1.1
399.21738	5.0
400.22150	0.8
417.22495	4.1
419.57584	0.8
437.25607	0.8
443.19009	2.8
445.20969	1.2
455.26596	1.3
461.20374	8.0
463.31970	0.9
473.25214	0.8
479.26596	1.1
497.27646	7.1
498.28125	0.9
625.32440	0.9
627.30585	0.8
630.38660	0.7
635.30725	14.4
635.40869	1.1
636.30731	3.6
653.31781	15.6
654.32312	3.1
659.41443	1.1
671.32709	25.2
672.32953	4.3
703.36523	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10267	13.8
53.03693	13.7
61.98832	39.7
72.65983	15.6
140.83353	15.5
207.10263	26.0
277.21732	100.0
455.34879	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	703.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17528	18.6
61.98819	54.5
65.00709	19.0
69.91074	100.0
134.74190	20.1
134.75232	19.3
171.10202	32.9
177.83919	22.8
277.21698	27.6
289.02036	19.4
293.66455	20.4
326.12286	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	704.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
60.01691	0.1
60.77103	0.1
61.98826	100.0
62.98529	0.1
64.99264	0.1
71.05659	0.0
101.49397	0.1
277.21747	0.1
482.15652	0.1
483.14813	0.2
484.15198	0.3
498.16779	0.1
542.16058	0.1
543.16479	0.1
557.18536	0.2
558.19159	0.7
574.15546	0.1
575.15918	0.2
589.17554	0.1
641.22620	0.1
644.22638	0.5
703.25031	0.1
704.23083	2.1
705.22675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98827	100.0
62.98534	0.2
70.52459	0.3
133.02983	0.2
157.42918	0.1
161.02431	0.2
196.90041	0.1
209.11842	0.3
277.21790	0.3
361.53571	0.1
437.90482	0.1
483.15244	0.1
484.15765	0.3
509.74969	0.1
530.14166	0.1
557.19128	0.3
558.18896	1.0
644.23260	0.4
685.80438	0.4
686.30499	0.1
704.22675	2.4
705.22479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	26.2
61.98826	58.5
65.03968	2.8
65.19969	1.9
69.46318	11.0
69.46724	3.3
71.01391	9.8
76.57721	2.3
80.05062	6.8
85.02954	3.2
86.72292	1.9
87.00866	4.2
88.95791	1.9
88.98812	4.8
89.02428	4.7
94.06605	2.9
96.96002	15.1
101.02432	6.1
106.06635	2.6
107.03754	4.9
113.02430	3.5
120.08154	2.8
122.06124	29.1
133.02927	7.0
134.06084	8.8
135.04500	13.4
136.08429	2.3
137.06094	3.3
139.03972	4.7
143.19455	2.1
152.07162	39.0
160.06404	4.0
161.02415	22.3
161.04532	2.5
163.11311	2.6
165.05643	2.8
174.05602	4.6
179.03461	12.7
190.60118	2.5
197.11765	2.8
207.10172	4.9
209.11775	12.2
210.12209	3.2
211.13353	4.6
211.94670	2.3
213.10353	26.0
225.11195	3.0
239.11873	14.7
241.13533	14.7
241.15533	3.1
242.13470	2.5
245.12906	7.2
251.05870	2.3
251.11943	3.2
265.09735	2.5
281.06558	2.4
285.12418	53.6
286.12851	2.8
293.12985	6.0
295.10861	5.9
313.11862	4.5
323.10263	7.6
328.10919	4.1
343.13083	2.9
343.28558	6.4
344.28757	3.2
355.12790	3.2
358.15543	16.7
359.16190	3.2
370.12079	2.5
372.16910	2.5
384.13260	3.2
400.16608	15.5
449.25204	2.2
499.28961	4.4
523.23230	5.8
565.24500	48.6
566.25256	12.3
572.18756	5.9
596.81580	2.3
599.41174	2.7
609.23480	100.0
610.23669	24.4
641.26141	61.9
642.26514	16.8
669.25531	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	705.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03443	1.0
58.00589	0.6
59.01378	11.8
65.03960	28.6
66.04298	1.0
68.99806	1.1
69.03456	5.9
69.31761	3.3
69.32153	0.7
70.35093	0.5
71.01379	12.5
71.02681	0.5
71.75413	0.4
73.02946	2.2
78.53796	0.4
80.03629	0.4
83.01389	2.0
85.02943	4.6
87.00881	0.5
89.02439	6.0
93.03466	3.7
95.01371	1.2
95.05018	3.9
99.00883	2.3
101.02442	7.4
103.05573	0.6
106.04238	1.3
107.05019	1.2
111.00870	0.8
113.02448	5.0
117.34395	0.4
119.03489	2.0
119.05016	3.1
121.05711	0.9
121.06590	19.0
122.06907	1.2
139.04007	39.6
140.04326	2.0
141.01898	0.5
147.04488	0.5
147.90685	0.5
156.09473	0.4
161.04536	1.4
163.07658	1.1
165.05559	23.7
166.05957	1.1
175.61528	0.5
181.04941	0.5
183.06610	21.6
184.06844	0.7
207.06671	0.8
209.04538	6.5
222.19617	0.4
225.07622	0.7
227.05667	3.0
329.08774	0.8
345.11884	22.3
346.12128	2.3
389.10876	100.0
390.11255	8.4
442.90802	0.4
734.42554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
56.84948	0.9
57.03447	0.9
58.00587	1.9
59.01375	44.7
61.98825	11.5
65.03960	1.4
69.03442	1.0
71.01376	27.6
72.99310	1.5
73.02943	4.4
83.01389	2.6
85.02942	6.6
87.00851	1.2
88.52746	0.9
89.02439	21.0
90.30508	0.9
95.01394	2.8
99.00874	1.4
99.04522	1.2
101.02428	14.3
102.14685	0.9
107.05038	1.2
109.06572	1.5
111.04501	1.9
113.02441	7.7
113.87937	1.0
119.03516	6.2
121.06631	1.3
128.29362	1.0
130.74065	1.0
135.11815	6.4
139.04008	2.5
139.07571	1.1
157.08693	5.1
161.04544	4.7
161.09689	6.3
163.39513	0.9
165.05595	1.3
179.05597	1.4
179.10762	25.8
180.11115	1.0
188.06265	0.9
205.08728	2.3
209.04681	1.0
223.09773	9.3
272.85086	1.0
319.14029	3.2
345.15619	1.1
481.24686	1.5
525.23370	100.0
526.23590	16.5
590.80481	1.0
705.29712	76.9
706.29901	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	705.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	9.4
60.65762	1.4
61.98830	100.0
71.01369	3.3
71.52013	2.2
76.44879	1.6
93.36732	1.5
96.96009	2.3
101.02483	1.8
113.02425	2.6
133.02971	4.4
133.88031	1.9
134.03687	2.1
135.04512	3.8
143.29907	1.7
161.02435	9.9
171.10214	1.9
179.03441	4.0
184.80162	1.5
209.11784	19.5
209.13554	2.1
223.13298	12.8
227.12953	3.8
272.63239	1.5
313.58463	1.7
341.08939	2.7
459.21979	2.2
465.37744	1.5
471.34528	1.7
560.02209	2.0
572.18250	3.9
705.32733	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	705.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79245	0.3
57.03418	0.5
59.01371	4.3
60.02404	0.3
61.98812	2.1
65.00192	0.3
71.01378	3.3
71.52531	0.3
72.73470	0.3
72.99282	0.5
73.02936	0.7
80.02660	0.9
81.03436	1.0
83.01374	0.7
83.05023	4.6
84.02161	0.9
85.02937	1.0
89.02431	1.6
95.05007	0.6
96.96020	0.9
99.00851	0.5
101.02454	2.1
102.09518	0.3
109.06592	0.5
111.04597	0.3
113.02428	1.2
119.03491	0.5
119.04996	0.7
125.02438	0.3
125.06089	0.6
125.09698	0.3
133.02931	0.8
135.04514	0.9
135.08125	0.4
137.02383	0.3
139.04005	0.6
143.03482	0.4
145.02907	0.3
151.10979	0.3
161.02408	2.2
161.04518	0.8
163.11270	3.5
165.12857	2.1
171.10225	1.0
179.03477	0.9
179.05566	0.4
181.12369	0.6
191.10802	1.1
199.13370	0.3
207.10229	0.6
209.11803	100.0
210.12143	6.9
210.13654	0.2
225.11290	0.6
227.12857	14.9
228.13185	0.9
235.08163	1.8
253.09242	5.7
295.08246	0.5
360.85373	0.3
445.20929	1.4
463.21500	0.4
543.31445	0.4
637.31824	0.4
661.33179	0.3
705.29175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	0.1
59.01374	1.2
61.98826	100.0
62.98538	0.2
65.03964	1.6
69.03455	0.4
69.18246	1.3
71.01379	0.6
73.02924	0.3
83.01382	0.2
85.02955	0.1
87.00903	0.2
88.98833	0.3
89.02433	0.3
93.03468	0.2
96.96034	0.2
98.19946	0.3
99.00860	0.2
101.02437	0.6
109.06590	0.2
113.02455	0.2
119.05006	0.2
121.06592	0.8
133.02991	0.3
135.04526	0.4
135.08208	0.1
137.09673	0.2
139.03983	2.6
140.04364	0.3
161.02431	0.8
161.04546	0.2
162.02815	0.2
165.05545	0.8
179.03516	0.4
183.06596	0.9
184.06985	0.2
209.04506	1.5
209.11852	0.7
210.04773	0.3
210.12164	0.3
225.11339	0.2
225.44115	0.1
226.05208	0.1
227.05766	0.2
227.13091	0.2
335.22437	0.2
341.08652	0.2
345.11920	0.4
389.10690	0.3
390.11206	0.2
501.09607	0.1
573.19287	0.2
611.24091	0.2
647.37933	0.2
662.32965	0.4
663.34357	0.6
674.35345	0.5
706.31476	0.7
707.32953	1.2
707.44067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16375	0.2
57.03448	0.2
59.01373	1.4
60.99299	0.2
61.98827	7.4
67.01891	0.3
69.03447	0.2
69.67291	0.9
71.01381	1.0
75.00858	0.2
78.91882	0.3
83.04984	0.2
85.02944	5.3
87.00856	1.2
89.02441	0.3
93.03453	3.0
94.03830	0.2
96.95975	0.3
101.02439	0.3
101.78283	0.2
109.02943	0.4
111.00876	0.3
111.04496	0.8
119.04990	0.2
127.03996	1.4
133.02963	1.0
134.03450	0.2
135.04524	1.6
155.03505	0.3
161.02429	1.8
162.02725	0.2
163.04063	0.3
165.05562	0.2
171.02998	0.2
173.04536	2.1
179.03497	1.8
191.05595	100.0
192.05954	4.8
193.05910	0.2
267.07077	0.2
277.06152	0.2
282.36713	0.2
293.12329	0.3
337.09296	0.5
351.07367	0.2
353.08737	16.8
354.08987	1.8
375.15482	0.2
636.32971	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87218	3.4
59.01371	17.9
61.98815	6.3
69.46520	11.6
69.46941	14.8
71.01374	9.9
77.27445	3.7
85.02950	5.2
89.02442	4.3
101.02419	7.1
109.06572	16.0
113.02413	7.2
144.03398	3.3
161.02441	5.2
163.11301	11.3
175.08258	4.0
179.03860	3.5
179.05482	3.7
189.09111	4.6
204.15878	4.8
207.10249	56.6
209.11801	100.0
210.12117	7.4
225.11292	33.6
227.12822	25.4
235.08199	9.0
253.09236	14.9
281.43381	3.9
293.45959	3.5
399.21707	8.2
416.93082	4.0
443.19308	4.3
461.20294	13.4
485.33170	4.8
635.30756	39.0
636.30573	12.4
653.31818	38.3
654.31879	5.6
671.32617	51.5
672.33020	7.4
707.30389	61.4
708.30939	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	707.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03442	0.6
58.00594	0.4
59.01376	100.0
60.01710	1.4
66.75634	0.3
71.01373	8.6
71.51589	0.4
72.99319	0.4
73.02947	4.1
73.06578	0.3
74.75275	0.3
83.01374	1.9
85.02956	5.1
87.00896	0.6
89.02429	1.7
95.01403	0.8
96.17259	0.3
97.02986	0.5
99.00884	1.5
101.02436	11.1
113.02452	5.1
119.03498	0.5
124.56028	0.4
133.02962	1.1
135.01385	0.3
135.04544	0.6
138.05707	0.4
138.06874	0.6
139.03999	0.7
143.03482	0.6
151.07672	0.5
152.08459	0.7
153.09219	2.0
159.03033	0.7
161.02457	4.7
161.04514	4.8
165.05672	0.5
183.06615	0.7
184.06937	0.4
187.51105	0.3
191.05573	0.4
205.12370	0.9
223.13477	1.2
235.11833	18.0
236.12262	0.7
277.12885	11.8
278.13333	0.9
321.12064	0.4
385.18552	2.6
386.18951	0.5
389.11060	0.5
527.17804	1.0
574.45776	0.3
675.21100	1.9
707.24127	0.5
734.99005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35561	0.3
57.03436	1.1
59.01367	5.3
61.98825	100.0
62.98516	0.7
63.99258	0.7
65.03955	5.8
68.99838	0.4
69.03444	1.9
71.01373	3.2
71.52071	0.4
73.02937	2.1
81.01867	0.4
83.01379	0.9
85.02967	1.1
86.06964	0.4
87.00853	0.5
88.98811	2.1
89.02443	0.7
93.03448	0.8
95.05043	0.5
96.96003	1.3
97.02933	0.7
101.02441	1.8
106.04244	0.4
108.41157	0.3
112.48385	0.4
113.02440	1.1
119.05005	0.9
121.06557	3.2
133.02956	0.7
135.04556	1.1
137.09720	0.4
139.04001	10.8
139.05011	0.6
139.07695	0.4
140.04359	0.6
149.06032	0.5
153.12810	0.9
161.02481	2.1
165.05568	4.9
179.03511	0.7
183.06592	4.1
197.11807	0.8
207.10335	0.5
209.04532	6.6
209.10080	0.5
209.11789	1.9
301.13120	0.5
335.22281	1.5
345.12067	2.0
377.23697	0.4
389.11066	1.6
485.32700	0.7
502.78082	0.5
607.16760	0.4
647.38501	1.3
663.33820	3.1
664.34796	1.0
707.33020	6.7
707.43829	2.1
708.33057	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56940	0.2
57.03453	0.2
59.01376	26.3
60.01702	0.2
61.98824	1.8
68.99561	1.3
71.01374	1.4
71.52325	0.3
73.02942	0.6
83.01391	0.3
85.02979	0.5
87.00896	0.4
89.02454	0.9
93.03443	0.2
96.96012	0.4
101.02411	1.5
101.06089	0.5
101.37228	0.2
112.98548	1.0
113.02453	0.9
119.03490	0.5
123.04485	0.3
133.02965	0.4
134.73198	0.2
135.04514	0.2
151.04007	0.2
161.02440	0.8
161.04597	0.6
162.02737	0.2
171.10210	0.3
173.04504	0.3
179.03346	0.2
193.05051	0.3
209.11705	0.9
306.36566	0.2
485.32672	100.0
486.33060	17.0
489.34488	0.6
499.34409	0.4
527.33716	0.8
528.34119	0.2
606.84570	0.2
647.37811	1.5
691.57349	0.2
707.27338	0.5
707.40082	1.0
708.25781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21842	0.7
55.01859	2.5
57.03421	1.5
59.01375	23.4
60.01715	0.7
60.93034	0.7
61.98821	9.1
69.32127	5.7
71.01376	28.2
72.99292	1.8
73.02937	9.1
75.17989	0.6
76.60117	0.6
83.01379	5.3
85.02944	17.1
88.98816	1.7
89.02430	3.3
95.01396	2.6
96.95979	1.0
98.19939	1.4
99.00883	3.4
101.02435	22.3
113.02444	10.5
116.92770	1.0
119.03440	0.8
130.95311	0.7
133.02986	1.0
135.04500	2.0
139.03998	1.2
143.03387	0.7
159.02950	2.6
161.02415	2.5
161.04552	12.3
171.38458	0.8
177.05649	0.6
179.03452	1.6
186.93858	0.7
207.10133	1.6
209.11823	2.7
225.11362	1.1
265.00436	0.7
279.21222	0.7
324.92743	0.7
334.63586	0.7
423.28867	1.4
435.28989	0.9
437.30240	0.9
453.30038	5.6
465.29956	3.1
466.30267	0.8
472.13300	0.7
485.32727	20.2
486.33099	2.5
572.19342	1.5
647.37927	100.0
648.38251	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67564	0.1
54.76745	0.1
59.01372	0.4
61.98826	100.0
62.98524	0.2
69.44958	0.1
71.01405	0.3
72.83075	0.1
89.02454	0.2
101.02435	0.3
119.03477	0.1
138.05623	0.1
161.02472	0.1
347.17200	0.2
379.74637	0.1
407.70569	0.1
528.26044	0.1
708.28503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
59.01369	1.4
60.99303	18.2
61.98825	0.7
71.01376	0.7
71.52425	0.3
83.01383	7.3
85.02953	0.5
88.98801	100.0
89.02443	1.0
89.99152	1.2
101.02454	0.5
113.02442	0.4
116.92834	0.6
121.02950	1.0
123.00842	0.4
136.05309	2.0
158.20171	0.2
168.04265	0.8
191.05634	0.8
235.09898	0.3
356.12750	0.9
371.14944	14.8
372.15198	1.9
504.34161	0.4
517.14917	1.4
649.38306	0.9
667.39172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	1.0
59.01374	15.3
61.98827	35.5
69.03443	1.4
71.01376	10.3
71.52271	1.1
72.99281	1.1
73.02934	7.0
75.00859	1.3
83.01366	1.7
83.05004	0.7
85.02942	4.0
86.00033	0.9
87.00877	4.1
87.04507	1.4
89.02455	3.8
97.02932	1.3
99.04482	1.1
101.02445	6.7
103.03996	1.6
107.04987	1.2
109.02926	2.6
111.00855	2.2
113.02424	2.0
115.04003	3.5
115.69333	0.6
117.03457	1.9
119.03496	1.4
120.45300	0.7
120.46152	0.7
121.02906	0.9
122.47124	0.8
123.04520	0.8
125.02431	1.5
131.03506	4.6
132.02156	1.8
133.02950	28.7
134.03784	4.6
135.04523	35.7
136.04840	1.4
143.03514	6.0
145.05077	1.3
148.05209	1.2
149.06084	3.1
151.04013	1.5
160.01726	1.3
161.02431	70.2
162.03096	6.0
163.03952	2.7
163.06046	0.8
175.03914	3.4
177.05580	4.8
179.03484	17.7
179.05724	0.7
180.82852	0.7
181.05135	1.0
189.00346	0.9
189.01926	9.1
190.02287	1.0
191.05609	0.9
193.05011	2.4
194.02109	1.3
203.03528	4.5
205.07126	3.2
221.04521	13.7
239.05548	2.1
278.85498	0.7
404.50287	0.8
461.14352	1.2
529.15735	1.8
547.16724	10.3
548.16699	1.3
576.29980	0.8
637.21881	1.2
709.19708	100.0
710.19989	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	709.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32350	0.8
59.01375	13.9
59.89906	0.7
61.98825	11.4
65.03944	0.7
66.54544	0.7
71.01364	6.2
71.52629	0.8
72.99311	0.9
73.02942	2.6
83.01382	34.3
85.02950	3.9
87.00877	1.2
88.98824	0.9
89.02455	2.6
93.03465	1.1
95.01429	0.9
97.02957	0.8
101.02421	3.8
102.89215	0.6
105.03441	0.7
113.02467	3.7
116.92858	0.8
117.03443	1.8
119.05045	1.3
121.02946	11.8
123.00871	1.6
123.04482	0.8
132.02165	24.4
133.02988	4.1
134.03734	25.2
135.04478	2.2
136.05298	10.6
137.02441	0.8
137.06102	1.2
138.03261	0.8
139.04010	1.6
143.03497	1.0
145.02945	3.4
147.04489	1.3
149.06085	4.9
153.17081	0.7
160.01645	99.1
161.02179	4.5
161.04556	1.5
161.05983	1.0
161.98100	0.7
163.04025	1.1
168.04225	5.4
171.10262	2.7
173.71497	0.7
175.03984	100.0
176.04364	5.5
178.02667	1.1
179.03500	1.5
185.56616	0.6
191.05551	1.9
191.07138	1.1
193.05023	20.1
193.80705	0.8
194.05360	0.8
209.04475	0.7
209.11833	5.6
217.05011	1.6
217.70305	0.7
227.12842	2.2
243.34673	0.9
253.09160	1.0
277.07214	1.4
322.06912	1.3
337.09241	85.2
338.09546	6.5
355.31778	0.8
356.12524	3.3
357.13330	5.4
371.14944	8.5
461.19229	1.0
469.33173	2.0
486.33124	0.8
487.34143	6.3
589.36572	0.9
605.35327	1.0
607.36212	1.2
623.36639	1.1
649.38678	2.8
709.24744	48.0
710.24921	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	709.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56103	0.3
55.01871	2.0
59.01382	5.2
61.98825	4.5
70.90448	0.6
70.90810	0.9
71.01385	4.1
73.02956	1.1
83.01377	35.0
84.01731	0.9
85.02946	1.6
85.22867	0.4
88.98875	0.4
89.02450	0.8
93.03453	1.6
94.70321	0.4
99.00873	1.0
101.02438	1.6
109.02907	0.5
113.02433	1.5
117.03445	1.0
118.98035	0.9
119.05001	0.6
121.02941	11.9
121.03769	0.8
122.03773	0.9
123.00873	1.7
132.02161	24.5
133.03023	3.6
134.03731	27.1
135.04459	0.9
136.05290	11.1
137.02438	0.6
138.03175	0.6
145.02968	1.0
147.04556	0.9
149.06046	4.8
160.01642	97.4
161.02072	4.3
161.06052	0.7
168.04254	4.5
175.03978	100.0
176.04326	5.2
177.01888	0.6
178.02678	1.2
179.03389	0.8
189.05437	0.5
191.07098	0.8
193.05028	18.9
194.05344	1.0
202.02718	0.8
209.11809	3.4
212.98201	0.5
217.05072	1.3
221.04517	0.4
221.18193	0.4
225.64690	0.4
227.12778	0.6
235.06070	0.5
235.09889	0.5
277.07019	1.0
322.06689	0.4
323.07788	0.5
337.09238	86.6
338.09561	7.5
356.12619	3.6
357.13245	4.2
371.14938	9.5
372.15302	1.1
469.33234	1.8
487.34256	5.9
542.51965	0.5
709.24805	50.5
710.25134	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	709.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46709	0.5
54.86095	0.5
59.01379	15.4
65.03960	22.5
66.04275	0.9
68.99794	1.1
69.03458	5.0
69.30581	4.6
71.01375	11.8
72.99314	0.8
73.02921	2.6
81.03433	0.7
83.01367	0.9
85.02959	4.2
85.86171	0.6
87.00877	1.3
89.02440	9.3
93.03455	4.0
95.01364	1.8
95.05013	2.3
98.20607	1.2
99.00861	2.0
101.02435	9.5
103.05561	0.6
106.04221	0.7
107.05046	0.6
111.00847	2.4
112.33325	0.6
113.02463	5.3
119.03495	3.6
119.05011	2.3
121.06594	14.8
122.06888	0.7
126.77123	0.6
130.14250	0.5
139.04005	33.6
139.07603	0.7
140.04303	1.0
141.01941	7.8
153.05551	5.4
161.04610	1.4
163.07619	0.7
165.05557	19.7
166.05959	1.1
179.05559	2.6
183.06612	19.5
184.06897	0.8
207.06689	0.8
209.04555	6.3
227.05591	2.4
230.16263	0.6
333.11862	8.2
334.12244	0.9
345.11862	20.9
346.12222	2.0
389.10886	100.0
390.11230	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	709.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99834	0.4
59.01371	1.0
61.98823	1.8
63.96224	1.3
65.24903	0.5
71.01376	8.0
71.14439	0.7
73.02942	1.9
78.67327	0.4
78.98583	6.8
79.95728	14.5
80.96510	79.8
81.03471	0.7
83.01387	0.5
85.02937	3.2
87.00891	2.9
87.04399	0.4
94.98076	18.4
96.95994	1.4
97.02936	2.0
99.00926	0.6
101.02438	1.9
106.98091	3.2
122.97570	3.7
125.02437	3.1
127.03972	0.6
134.97557	5.0
136.99142	1.9
146.97507	0.7
148.99126	6.7
152.98619	6.4
161.04604	0.4
164.98616	14.1
167.00063	0.6
171.10204	2.3
206.99675	3.6
225.00720	22.6
226.01053	0.6
255.23285	1.4
374.64395	0.5
453.14264	2.5
454.14932	0.6
537.27307	1.2
565.65540	0.5
709.38293	100.0
710.38660	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	709.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87562	0.3
55.01866	0.5
57.03468	0.5
59.01378	4.4
61.98827	2.0
71.01378	3.6
73.02946	1.3
83.01391	0.7
85.02953	2.3
87.00870	0.6
95.01398	0.4
99.00871	0.6
101.02424	2.9
113.02451	1.5
116.17622	0.4
121.02953	0.6
125.02453	0.4
141.94563	0.4
161.02391	0.6
161.04573	0.6
162.21751	0.4
182.93147	0.4
207.10272	1.5
209.04417	0.4
209.11780	2.2
210.12247	0.5
225.11229	0.4
227.12769	0.7
253.09325	0.4
263.41824	0.4
408.84998	0.4
409.31259	0.6
461.20148	0.6
467.31558	0.4
473.12073	0.6
487.34399	6.1
488.34592	0.9
508.09488	0.4
529.05573	0.4
558.15320	0.4
635.30670	0.6
649.39514	100.0
650.39844	24.2
653.32623	0.6
671.32520	1.0
673.33398	0.4
709.21545	2.4
710.23157	0.9
710.34912	0.4
725.31860	0.4
734.16699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	33.0
60.01711	0.3
61.98828	0.7
71.01383	0.8
72.99325	0.2
85.02949	0.4
89.02454	0.5
93.94923	0.1
96.96008	0.2
98.20646	0.5
101.02451	0.8
113.02453	0.6
118.98096	0.3
119.03513	0.5
123.00752	0.2
161.04512	0.3
186.88770	0.2
221.06758	0.2
350.42575	0.2
409.31036	0.2
487.34262	100.0
488.34595	18.8
501.35846	0.3
529.34943	0.8
649.39026	1.5
650.39563	0.5
709.41821	1.2
710.42175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50504	0.2
59.01375	35.5
60.01697	0.4
61.98827	5.6
69.13407	0.2
71.01376	2.1
72.99297	0.4
73.02952	0.7
83.01417	0.5
83.05093	0.3
84.85813	0.2
84.96272	0.2
85.02942	0.7
86.29584	0.2
87.00877	0.3
88.98807	0.2
89.02438	1.6
93.03476	0.4
98.19947	0.5
99.04479	0.3
100.02665	0.2
101.02432	2.2
113.02441	1.6
119.03507	1.2
121.02953	3.0
132.02168	3.8
133.02946	0.5
134.03738	3.8
135.04475	0.5
136.01570	0.3
137.02417	0.5
139.04016	0.4
149.06055	0.8
160.01646	15.4
161.02063	1.1
161.04550	0.9
175.03983	16.1
176.04312	1.2
179.03358	0.3
179.05569	0.6
183.28410	0.3
193.05022	3.0
209.04446	0.2
209.11880	1.4
209.13551	0.2
221.06529	0.3
227.12901	0.3
293.24719	0.3
307.36060	0.3
337.09244	10.9
337.13336	0.5
338.09497	0.8
356.12582	3.0
357.13037	0.8
371.14883	1.4
469.33054	2.3
470.33557	0.6
487.34235	100.0
488.34570	18.5
513.32367	0.3
529.35107	0.6
649.39398	4.0
650.39819	0.9
654.30981	0.3
709.24670	8.7
709.41125	1.0
710.25061	2.8
710.37274	0.3
710.41675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74150	0.7
57.03441	1.5
59.01373	5.8
61.98827	51.4
67.56733	0.8
71.01372	4.5
72.78693	0.7
73.02937	1.4
78.95870	1.2
83.05032	1.3
85.02945	1.4
87.00880	0.9
89.02431	2.0
95.05010	1.3
97.06583	6.5
98.19946	2.0
101.02424	3.4
113.02460	2.2
113.48357	0.7
133.10220	0.9
134.85197	0.7
145.05098	1.3
149.09746	0.9
151.11273	17.5
152.11623	0.8
152.99606	4.1
161.04593	0.8
165.83812	0.6
169.12326	44.3
170.12643	3.0
178.55219	0.8
195.10255	3.0
201.11302	3.8
209.11830	3.2
213.11314	6.5
235.08234	1.5
253.09244	2.6
277.21698	51.3
278.22049	6.9
279.22507	0.9
300.71432	0.9
384.13940	0.8
431.19147	1.6
449.20377	2.7
473.17786	2.0
547.35999	1.2
709.41516	100.0
710.41876	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	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
59.01377	5.4
60.74459	0.4
61.98824	1.6
69.44247	2.8
69.63842	0.4
70.68977	0.4
71.01380	5.9
72.99300	0.5
73.02942	1.1
78.95895	1.1
82.97853	0.4
83.01370	0.9
83.05023	0.6
85.02950	1.4
86.42737	0.4
87.00854	1.0
87.04532	0.4
89.02442	4.0
97.06585	3.7
99.00836	0.5
101.02438	4.5
103.43100	0.4
113.02446	2.1
119.03506	0.8
119.14946	0.4
122.31437	0.4
125.02400	0.4
125.09739	0.4
133.04955	0.4
145.58189	0.4
148.81499	0.4
151.11278	12.4
152.11639	0.6
152.99583	1.2
157.03169	0.5
161.04561	0.9
169.12328	89.8
170.12671	5.2
179.05554	0.7
195.10210	2.5
201.11310	1.7
209.11836	1.9
213.11293	10.8
214.11755	0.5
235.08263	1.0
243.65018	0.5
253.09241	2.9
277.21701	22.0
278.21991	1.9
307.08304	0.4
336.10184	0.5
341.58649	0.4
431.18869	2.6
449.20261	5.5
455.16867	0.6
455.22662	0.5
473.17868	1.3
709.41583	100.0
710.41931	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	710.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83658	0.1
54.20259	0.1
57.03446	0.4
59.01376	5.4
60.01694	0.2
61.98825	100.0
64.24229	0.1
69.54385	0.5
69.54818	0.4
69.91425	0.1
71.01383	2.5
72.01710	0.1
72.99297	0.3
73.02937	0.6
78.75644	0.1
83.01409	0.5
85.02950	1.5
87.00887	0.2
88.98792	0.1
89.02434	0.8
95.01371	0.2
96.96056	0.1
97.02969	0.2
99.00875	0.4
101.02442	1.9
111.00907	0.4
113.02453	1.3
119.03525	0.4
121.02923	0.2
123.04477	0.1
124.01653	0.2
125.02467	0.4
126.83150	0.1
133.02924	0.3
135.04559	0.3
143.03461	0.2
159.02998	0.2
160.01630	0.2
161.02480	0.5
161.04573	0.4
175.03975	0.2
179.03487	0.2
179.05606	0.2
190.43228	0.1
191.05672	0.3
223.92111	0.2
262.91223	0.1
310.98645	0.2
331.19330	0.2
486.33124	0.4
487.33710	0.8
488.34152	1.2
489.34619	0.3
507.35526	0.4
519.20496	0.2
521.29797	0.4
595.11908	0.1
607.37360	0.2
649.38440	0.2
650.38239	1.2
651.39600	4.7
659.27466	0.2
668.39569	0.8
669.40594	3.2
710.25824	0.2
710.40973	0.3
711.41681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10838	0.8
58.76231	0.8
59.01373	7.6
60.60113	0.7
61.98817	1.5
63.02399	2.3
63.11435	0.8
65.00327	3.0
65.03952	1.3
66.24423	0.8
71.01393	5.8
71.36691	1.2
75.33246	0.9
83.01389	2.0
85.02938	1.6
87.00864	1.3
89.02448	3.7
93.03433	0.9
101.02436	2.3
107.01376	7.9
108.02184	1.4
109.02941	1.5
111.00842	2.8
113.02472	1.7
119.03485	1.6
121.02962	6.8
130.31769	1.0
133.02919	1.4
134.03758	2.4
135.00832	0.9
135.04514	1.3
139.04025	1.2
145.02931	1.1
148.01620	1.1
149.02428	1.7
151.00354	28.8
151.03975	1.0
161.02405	2.4
163.00404	1.6
163.04109	1.0
164.01099	1.1
169.01422	1.1
178.99869	16.6
179.03561	1.1
179.05612	2.4
183.06557	1.6
191.05630	1.8
193.04980	2.7
202.81555	0.8
227.03455	2.3
243.02943	6.8
245.04443	1.4
245.06779	0.9
254.02139	1.7
255.02971	18.5
256.03308	1.9
265.93991	0.9
271.02469	42.7
272.02930	4.6
273.04034	1.7
283.02515	1.5
299.02014	2.8
300.02722	88.6
301.03473	100.0
302.03873	10.0
306.35410	0.9
332.60861	0.8
365.18134	1.7
369.13281	1.4
387.14496	1.2
463.08759	25.1
464.08939	3.7
505.09842	97.9
506.10242	17.2
509.16190	1.6
531.19031	1.2
667.15295	3.7
711.20764	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	711.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
58.00586	2.9
59.01376	100.0
61.98811	2.3
68.21061	1.6
69.18220	3.4
69.18635	9.8
71.01377	56.8
72.99289	4.4
73.02944	2.6
79.05528	1.8
81.07131	1.3
83.01370	4.0
85.02943	12.6
87.00865	3.5
89.02443	65.3
95.01366	6.1
95.05018	2.8
96.96000	1.6
98.19838	2.3
99.04492	1.4
101.02431	32.1
107.05032	2.0
113.02448	21.2
113.18521	1.5
119.03513	24.9
119.05016	23.1
131.03514	1.6
132.91568	1.3
137.02437	10.7
137.06081	2.7
143.03467	2.2
146.52768	1.4
149.04533	1.9
157.06532	2.1
159.11729	3.1
161.04573	2.9
161.09735	2.4
161.13351	31.9
161.35680	1.4
167.40550	1.4
178.09067	1.4
179.05545	8.0
185.09674	2.1
187.11275	64.2
188.11617	6.0
205.12311	30.6
206.12709	1.9
228.50542	1.4
229.12317	4.5
231.10194	4.2
233.47281	1.5
247.13416	3.0
266.79721	1.5
267.10510	1.4
281.10315	3.5
299.11343	59.3
300.11700	5.3
307.15683	1.6
411.16635	2.6
487.23404	38.7
488.23636	6.7
531.22290	81.8
532.22693	14.8
622.47479	1.6
711.28650	55.9
712.28992	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
56.48291	0.8
58.00589	3.0
59.01376	84.6
61.98819	4.5
71.01379	49.9
71.53434	1.3
72.01718	1.0
72.99315	5.8
72.99645	0.9
73.02953	1.9
79.34902	1.1
82.13247	1.0
83.01369	2.9
85.02954	12.2
87.00844	2.4
89.02439	53.1
93.03424	1.2
95.01387	3.7
95.05011	2.1
101.02436	27.4
107.05041	2.2
113.02445	18.9
113.06049	1.1
119.03491	20.7
119.05008	18.9
131.03490	2.0
135.04530	3.6
137.02434	10.0
137.06094	3.7
143.03467	2.6
149.04533	1.0
157.06639	2.4
157.10316	1.4
159.04495	2.3
159.11757	2.4
161.02481	1.6
161.04575	2.4
161.13344	24.4
162.13768	1.4
166.05133	1.0
169.10187	1.0
172.08961	1.8
179.03474	1.0
179.05582	7.5
185.09663	1.8
185.13370	1.6
187.11261	49.4
188.11635	3.8
191.05643	6.0
203.14357	1.5
205.12321	23.6
206.12662	2.3
229.12320	3.7
231.10258	3.7
247.13391	3.0
249.11302	1.9
278.59500	1.2
281.10324	2.1
299.11346	44.4
300.11725	3.9
301.21686	2.9
381.51999	1.1
411.16595	2.2
463.26929	9.9
464.27063	1.2
480.34625	1.1
487.23355	21.1
488.23743	3.6
505.28256	2.3
531.22351	100.0
532.22693	16.4
619.08221	1.1
643.01678	1.1
651.39673	3.5
711.28687	50.9
712.29248	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	711.336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	30.0
61.98835	34.8
62.09893	3.8
68.00237	3.7
69.31533	32.2
71.01376	12.7
83.01389	5.0
84.41372	3.8
85.02937	6.9
88.98797	6.8
89.02440	12.7
101.02439	16.0
113.02429	6.8
117.03450	5.8
119.03481	4.9
121.02959	21.4
143.03485	4.7
145.02959	31.1
146.92555	4.1
161.02402	4.2
161.04543	5.0
179.05583	5.8
181.05070	5.3
199.09703	7.2
209.11763	5.1
210.12065	3.9
211.13417	6.6
223.13329	8.9
253.09254	12.9
277.21640	34.9
397.13519	100.0
398.13672	7.6
415.14548	72.0
598.33228	5.5
633.38184	34.2
634.38245	6.4
675.35992	18.8
676.36279	5.8
711.33417	66.8
712.33630	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	1.7
58.19929	1.1
59.01115	1.9
59.01380	29.2
61.98822	10.3
66.02227	1.1
68.50827	1.1
69.03440	1.1
71.01373	23.2
71.52401	1.3
71.52790	1.3
73.02943	3.8
83.01368	2.4
85.02946	3.8
87.00867	5.4
89.02441	31.2
97.02939	3.6
98.78697	1.5
99.00890	1.6
101.02434	19.2
112.29949	1.1
113.02450	9.1
119.03496	8.2
125.02409	4.5
131.03462	1.7
143.03546	3.0
161.02432	1.9
161.04469	2.4
161.38727	1.2
177.32516	1.2
179.05597	3.8
209.11772	2.2
221.06682	1.7
223.13382	1.8
235.08212	4.7
253.21677	16.4
254.22005	1.8
263.07599	1.4
393.75586	1.1
397.13467	42.4
398.13742	3.9
415.14539	100.0
416.14697	7.1
464.62378	1.6
481.99478	1.2
655.02802	1.3
733.74329	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26206	0.3
54.67073	0.3
55.01871	2.9
56.41207	0.3
56.50652	0.3
57.03444	4.6
58.00587	1.1
59.01373	63.4
60.01720	0.4
61.98823	7.8
67.01893	1.6
68.99823	0.6
69.03449	1.8
69.24200	0.3
71.01375	38.1
71.05010	0.4
72.01704	0.6
72.99303	3.0
73.02939	10.4
75.00861	1.1
81.03465	1.4
83.01379	7.8
84.02158	0.3
85.02941	20.3
86.00093	0.8
86.03272	0.6
87.00867	5.5
87.04510	0.5
88.98847	0.6
89.01863	0.5
89.02439	10.0
93.03446	6.8
95.01382	4.8
96.96014	0.3
97.02943	2.5
99.00866	5.2
101.02433	27.4
102.02780	0.7
107.05046	0.3
111.00866	4.4
111.04533	1.1
112.01672	1.1
113.02437	18.8
115.03979	0.6
119.03500	3.1
124.01634	1.5
125.02442	6.3
127.11255	0.3
129.01909	1.5
133.02956	0.6
134.03728	0.7
135.04506	6.2
136.04912	0.3
139.04012	0.4
141.01945	0.7
141.12756	0.4
143.03502	3.6
151.03969	0.6
155.03471	0.5
159.02963	2.4
161.02426	1.4
161.04517	3.1
171.13882	1.2
173.04535	3.3
174.19853	0.3
175.02536	0.3
179.03477	1.9
191.05556	1.9
229.35828	0.3
235.59767	0.3
251.16396	0.3
279.23239	0.5
297.24106	0.4
299.25858	2.7
311.32449	0.3
313.57339	0.3
327.28989	0.5
343.28421	0.4
345.30038	6.4
346.30466	0.5
371.24033	0.4
449.43976	0.3
489.34381	5.6
490.35065	0.9
507.35275	10.3
508.35693	1.7
521.29498	0.5
603.37372	0.5
607.36816	0.8
615.37231	0.7
621.38727	0.5
651.39514	100.0
652.39844	20.7
667.38898	0.4
669.40594	60.0
670.40881	12.5
689.02563	0.5
711.22809	7.0
711.41675	23.5
712.23138	1.7
712.42078	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	712.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98827	100.0
62.87925	0.1
62.98523	0.2
71.01378	0.2
80.73552	0.1
81.12769	0.1
82.96426	0.1
85.02955	0.1
85.64894	0.1
89.02460	0.1
96.96001	0.3
101.02437	0.2
122.20409	0.1
134.06895	0.1
161.02469	0.1
234.73949	0.1
248.51320	0.1
319.14005	0.1
347.17188	0.2
373.80887	0.1
417.84518	0.1
625.01447	0.1
712.30762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99677	0.1
59.01373	0.7
61.74828	0.1
61.91610	0.1
61.98825	100.0
62.98520	0.2
71.01385	0.4
73.02957	0.1
80.27217	0.1
83.01397	0.4
85.02966	0.1
89.02447	0.2
89.23642	0.1
101.02453	0.1
113.02470	0.1
121.02927	0.2
123.04511	0.1
135.04538	0.4
136.05275	0.2
151.07645	0.4
161.02478	0.4
179.03473	0.2
185.06099	0.1
207.10176	0.1
209.11852	0.2
211.13455	0.2
236.38222	0.1
241.04932	0.2
301.56470	0.1
463.14026	0.1
464.13919	0.1
476.14459	0.2
477.15515	0.1
609.38190	0.1
650.39703	0.2
651.40186	0.2
652.40289	1.2
653.41040	0.3
669.38306	0.2
671.39594	0.1
712.25708	0.3
712.41559	0.3
713.25812	1.4
713.36829	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	712.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98829	100.0
62.05854	0.1
62.98523	0.2
69.45362	0.4
70.62404	0.1
71.01379	0.1
83.01394	0.2
89.02461	0.2
101.02460	0.1
113.02486	0.1
131.22198	0.1
161.02473	0.2
161.04393	0.1
161.15269	0.1
239.58820	0.1
341.08435	0.1
371.15057	0.1
487.33984	0.1
488.34729	0.5
489.34830	0.7
490.35263	0.9
491.36063	0.1
713.26337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38059	0.6
59.01374	5.1
60.99301	21.8
61.98821	2.5
63.68747	0.5
64.37404	0.6
70.78188	0.6
71.01376	2.6
71.31178	0.5
72.99285	0.5
73.02940	1.4
85.02933	1.0
87.00877	0.7
88.98797	100.0
89.02441	1.8
89.99125	1.2
92.59865	0.6
101.02449	2.2
110.73727	0.6
123.04494	1.0
131.03546	0.8
132.02148	1.7
133.01930	1.4
133.02942	27.5
134.03673	0.8
135.04514	17.0
136.04832	0.6
143.03461	1.0
149.02449	1.0
153.05510	0.7
161.02426	82.5
162.02777	4.8
179.03481	10.2
203.03499	0.9
205.07141	1.4
221.04570	0.8
242.93936	0.6
273.73660	0.6
461.16608	2.7
487.14429	2.4
495.68219	0.7
533.20062	2.0
582.88232	0.8
617.24640	0.6
623.19720	89.1
624.20044	17.9
651.19250	6.6
704.36932	0.7
722.58411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38059	0.6
59.01374	5.1
60.99301	21.8
61.98821	2.5
63.68747	0.5
64.37404	0.6
70.78188	0.6
71.01376	2.6
71.31178	0.5
72.99285	0.5
73.02940	1.4
85.02933	1.0
87.00877	0.7
88.98797	100.0
89.02441	1.8
89.99125	1.2
92.59865	0.6
101.02449	2.2
110.73727	0.6
123.04494	1.0
131.03546	0.8
132.02148	1.7
133.01930	1.4
133.02942	27.5
134.03673	0.8
135.04514	17.0
136.04832	0.6
143.03461	1.0
149.02449	1.0
153.05510	0.7
161.02426	82.5
162.02777	4.8
179.03481	10.2
203.03499	0.9
205.07141	1.4
221.04570	0.8
242.93936	0.6
273.73660	0.6
461.16608	2.7
487.14429	2.4
495.68219	0.7
533.20062	2.0
582.88232	0.8
617.24640	0.6
623.19720	89.1
624.20044	17.9
651.19250	6.6
704.36932	0.7
722.58411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2596
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
54.60377	0.4
55.01867	0.5
59.01366	4.2
61.98826	7.6
70.95669	0.4
71.01367	2.1
83.01381	7.1
85.02901	0.6
87.00914	0.5
93.03488	0.5
102.18591	0.5
109.02906	1.0
113.02415	0.5
116.92840	1.8
121.02946	2.7
122.03714	2.0
123.04567	2.3
133.02913	0.6
134.03751	0.7
135.04562	2.1
136.01665	6.1
136.05312	0.7
137.02490	2.1
137.06033	1.0
146.03717	0.5
147.04466	1.9
147.73415	0.4
149.02367	0.5
151.04031	3.8
159.04439	1.2
160.05316	0.8
161.02425	2.7
161.06032	1.3
162.03110	1.1
162.06657	0.6
163.03886	0.8
173.06039	0.6
175.03979	0.7
176.04692	1.0
177.05556	1.0
179.03479	0.8
189.05600	0.6
190.06329	0.6
192.59087	0.4
202.56145	0.4
204.04161	0.7
205.05035	1.3
206.05727	0.7
209.11754	0.6
213.05579	0.5
215.07068	0.6
221.08157	0.5
227.03444	0.5
227.07024	0.7
237.05600	0.4
238.12720	0.4
239.07092	0.8
241.05005	1.6
242.05707	0.6
243.06648	1.1
251.07063	0.7
255.06534	2.9
256.07147	1.1
257.08109	0.8
267.06631	0.4
269.07898	0.6
270.08972	1.1
271.06079	0.4
271.09717	0.6
275.44547	0.5
281.08148	1.3
282.08932	0.8
284.10602	0.5
288.06326	0.7
290.07816	0.7
295.09363	0.7
299.09229	0.5
302.07858	1.4
309.07388	0.5
321.66479	0.5
329.57922	0.4
407.33875	0.5
446.13409	0.8
457.12921	0.5
463.13821	1.1
464.14557	1.0
465.15192	0.7
475.13943	0.7
476.14917	0.7
477.15393	1.8
478.16171	0.9
491.16843	1.7
493.14996	1.6
502.99512	0.5
503.16846	1.6
517.18347	1.5
531.16418	0.7
561.18011	0.6
605.21509	0.5
653.23010	0.9
683.23712	0.8
698.23517	0.9
705.86334	0.5
705.98383	0.5
713.25916	100.0
714.26318	27.0
714.36633	0.4
714.39575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.1
61.98830	8.8
62.73862	0.5
64.69277	0.7
65.81389	0.7
68.83523	0.5
69.03452	1.2
69.95130	2.9
71.01373	7.5
73.02939	1.4
80.96516	0.7
81.03448	0.7
82.24924	0.6
83.01406	1.3
85.02936	1.7
87.00890	0.8
89.02443	8.8
95.01374	1.3
97.02927	1.5
98.19867	0.8
101.02444	5.4
108.02236	0.7
109.02959	1.0
109.06590	3.0
111.94480	0.8
113.02480	3.4
119.03478	4.3
121.02935	2.6
123.00861	0.9
123.04535	0.8
125.02426	3.1
129.95071	0.7
131.03511	1.2
133.02942	1.3
135.04483	1.2
136.01666	6.7
137.02470	1.5
143.03519	1.5
146.03752	0.8
149.02461	0.8
151.04033	4.6
161.02438	2.8
161.04543	2.1
161.05879	0.7
162.03157	1.3
163.04024	0.8
163.11261	2.8
165.12816	0.8
172.05318	1.0
175.04039	1.7
176.04750	1.1
177.01912	0.7
177.05589	0.9
179.03520	1.3
179.05554	3.5
181.12378	1.3
189.05440	0.7
190.06328	1.8
191.10695	1.4
204.20566	0.7
207.10254	9.1
209.11798	10.6
221.06647	2.3
225.11334	5.0
251.48535	0.6
253.09149	1.7
263.07645	0.8
323.09821	13.6
324.10184	1.2
329.21194	100.0
330.21509	12.4
381.20813	0.9
399.21863	2.2
445.20941	0.9
461.20633	1.4
507.16431	1.6
534.20172	0.7
635.31061	6.3
636.30603	0.9
653.23389	1.3
653.31976	7.2
654.32501	1.8
683.24756	3.5
695.25281	0.9
713.25970	17.2
713.38898	1.2
714.26477	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	713.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45989	4.3
51.78204	4.0
54.62841	5.1
59.01371	17.7
61.98830	96.9
71.01375	13.0
71.41061	3.7
71.51810	5.5
88.98791	17.9
89.02441	16.8
101.02458	10.5
113.02396	8.6
116.92844	6.4
119.03487	5.1
125.02425	5.2
132.79051	4.2
161.02419	8.2
179.05638	5.7
187.92346	4.5
195.09196	3.9
199.80110	3.9
202.59879	4.2
222.74594	5.2
235.08089	7.9
242.82072	4.1
249.18550	4.9
279.23279	54.0
312.55539	4.0
322.64371	4.5
351.83432	4.3
397.13467	100.0
398.13965	12.7
415.14612	26.8
532.98950	4.3
677.37244	13.6
713.35468	73.4
714.34894	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	713.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59448	0.8
58.00583	1.8
59.01376	26.5
61.98838	5.9
69.03435	0.9
71.01378	26.6
71.51869	1.4
72.99290	2.5
73.02938	4.2
73.97636	0.9
74.93389	0.8
81.03452	1.2
83.01394	2.9
85.02936	4.6
87.00864	5.2
89.02443	25.0
89.09189	0.8
95.01400	2.2
97.02935	6.2
97.22011	0.9
101.02437	18.8
113.02435	6.6
115.03931	1.3
116.92849	1.6
117.74408	0.9
119.03500	6.8
125.02451	8.7
127.03993	1.2
143.03496	3.3
155.20081	0.9
161.02422	1.5
161.04515	4.4
179.05563	3.3
200.89491	0.8
221.06615	1.5
235.08215	10.0
253.09314	1.9
255.23254	67.8
256.23535	5.8
287.07782	3.9
305.08728	3.2
324.09406	0.9
379.12177	1.1
397.13483	100.0
398.13712	10.0
415.14554	30.3
416.14908	2.0
440.44278	1.0
653.37048	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
61.98830	2.2
69.11504	0.3
69.69948	0.7
69.70355	0.9
71.01371	1.2
73.02936	1.1
75.00858	0.3
77.20612	0.3
78.91882	0.5
83.01388	0.5
85.02953	0.6
87.00869	100.0
88.01201	1.7
89.02425	0.4
93.03461	0.6
95.01408	0.3
96.96019	1.0
97.02941	0.3
99.00880	0.9
101.02440	0.9
108.02168	1.6
109.02981	0.4
109.75104	0.3
111.00878	1.3
113.02427	1.0
115.00359	0.4
119.04999	0.6
121.06617	0.3
123.04509	0.7
125.06030	0.5
126.08896	0.3
129.01942	1.1
129.28047	0.3
131.03490	0.9
135.04524	0.6
137.02467	0.4
139.04025	0.6
141.01933	1.1
145.06604	0.3
153.05597	1.4
159.02980	9.5
163.04031	1.1
165.05476	0.4
165.58578	0.3
171.06596	0.7
191.05577	4.2
218.72580	0.3
241.07051	0.6
243.96202	0.3
283.08127	3.3
284.08609	0.4
313.09201	3.0
314.09671	0.4
337.09369	0.3
353.08630	0.4
383.09573	1.7
401.10922	0.7
457.12082	0.4
473.13107	0.9
556.87958	0.3
561.14612	0.4
697.20258	0.4
715.20966	1.4
716.21368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04526	0.2
59.01375	1.6
61.98816	0.3
67.01896	0.2
69.03454	0.3
71.01381	0.6
72.99290	0.2
73.02948	0.5
75.00826	0.2
85.02942	1.4
87.00869	100.0
88.01212	1.6
89.02418	0.2
93.03461	0.8
95.01387	0.4
97.02923	0.6
98.19894	0.7
99.00880	1.3
101.02428	0.5
108.02180	2.2
109.02917	0.4
111.00858	1.0
111.04527	0.3
113.02470	0.8
116.05053	0.2
119.05020	0.4
123.04534	0.9
125.02419	0.6
126.48944	0.3
129.01930	0.7
131.03539	0.3
133.03035	0.3
135.04512	1.1
137.02449	0.5
141.01923	2.5
153.05557	2.7
159.02968	6.7
159.04280	0.4
161.02473	0.5
162.02705	0.2
163.03999	0.7
167.03583	0.3
168.37219	0.2
171.06601	3.2
173.04549	0.3
179.03506	0.6
179.05521	0.3
191.05595	11.9
192.05879	1.5
193.06053	0.4
241.07126	0.4
244.19682	0.2
253.07019	0.3
295.08261	0.7
313.09268	5.0
325.12955	0.7
331.10367	0.4
337.09256	0.5
353.08652	1.2
361.47043	0.3
383.09793	0.8
401.10760	2.0
402.11932	0.2
442.53824	0.2
467.15695	0.7
473.12634	0.4
606.08539	0.3
697.19904	0.5
715.20813	1.8
716.21228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91389	0.8
59.01370	4.3
60.51991	1.0
61.98827	6.5
66.64883	0.8
67.01871	0.8
69.41111	5.1
71.01369	1.8
73.02940	1.0
83.01376	6.7
85.02930	1.5
89.02425	1.2
90.32909	0.9
93.03426	3.9
93.84464	0.8
95.40622	0.8
101.02464	1.6
101.97697	0.8
108.02140	1.6
113.02420	1.3
121.02955	7.1
122.02934	0.9
122.03742	12.7
123.04503	3.5
124.01705	1.0
133.02933	3.3
134.03775	2.1
135.04483	1.7
136.01649	10.3
137.02425	2.4
137.06059	1.2
149.02443	20.2
149.06035	1.6
150.03221	78.8
151.04010	8.7
161.06024	1.2
162.03203	1.3
163.03954	1.1
164.04721	3.1
165.05563	95.7
166.05869	3.3
175.03961	2.4
180.04259	6.3
190.06369	2.0
195.06621	100.0
196.06973	7.2
285.11200	1.9
342.11047	2.2
343.11755	1.6
357.13428	25.9
358.13593	2.4
391.93402	0.9
411.14581	2.1
505.18665	25.6
506.18887	5.0
517.18500	1.8
535.19489	4.6
535.26746	2.2
553.20703	17.7
554.20752	3.6
646.72833	0.8
715.32068	3.0
716.35608	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
58.00598	0.8
59.01080	1.1
59.01376	21.1
59.29315	0.3
61.98812	0.8
71.01379	10.9
71.17701	0.8
71.21983	0.4
72.99319	2.2
73.02980	0.4
75.00885	0.5
83.01382	0.7
85.02957	2.7
87.00870	1.2
89.02444	9.9
93.03435	0.5
95.01367	0.9
96.96011	0.9
101.02431	7.0
103.05519	1.3
113.02460	4.0
118.00011	0.4
119.03512	4.2
119.04991	2.8
133.02942	0.6
133.06413	0.4
135.02963	0.5
135.04491	0.6
136.07495	0.4
143.03471	0.5
147.04512	53.3
148.04820	3.1
153.97540	0.4
161.02403	0.5
161.06096	0.5
165.05548	9.0
177.01790	0.5
179.05540	0.7
191.05576	1.2
193.05013	0.5
275.46426	0.5
327.10812	100.0
328.11166	9.5
387.16696	1.1
521.90204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64388	0.6
55.01868	1.0
56.80517	0.8
57.03431	1.9
58.00586	1.9
59.01374	56.1
61.98824	100.0
62.35969	0.7
67.76161	0.6
69.03434	0.7
69.18409	6.1
69.18813	0.8
69.80070	0.6
71.01375	27.8
72.99300	2.5
73.02936	6.3
83.01392	3.1
84.16354	0.6
85.02941	11.0
87.00880	2.2
88.98813	1.3
89.02434	15.2
95.01399	3.4
96.96019	1.7
97.02950	0.9
98.19811	1.4
99.00890	1.3
99.97359	0.7
101.02438	14.3
111.00904	1.2
113.02436	14.2
119.03477	5.2
120.05811	5.0
121.02924	0.9
124.01669	1.3
125.02425	2.0
135.04579	0.9
135.08151	20.8
136.08449	1.2
136.15880	0.7
139.07678	0.8
143.03493	2.3
150.06863	0.9
151.04012	0.9
161.02461	2.3
161.04572	3.1
162.06915	0.8
171.38538	0.7
179.05615	1.5
190.80058	0.8
214.19571	0.7
439.27023	3.2
457.28110	7.6
475.29175	7.1
493.35553	1.6
517.30585	1.2
593.37164	2.0
611.34161	46.6
612.34406	7.8
629.35333	29.3
630.35870	6.8
671.36511	13.8
672.37250	2.7
715.27631	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	715.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01367	3.7
61.98829	2.1
64.30434	0.9
64.72801	0.9
69.03442	3.7
69.35416	7.6
71.01381	4.5
71.05020	1.3
75.00864	1.2
78.68787	1.0
80.95422	1.0
83.01356	1.1
85.02939	2.0
89.02443	3.1
92.21786	1.0
95.01414	1.3
99.00890	1.3
101.02458	3.9
110.44688	0.8
113.02469	2.2
116.92874	1.4
123.08150	1.3
125.09734	1.4
145.04994	0.9
151.11269	2.4
160.04688	0.9
161.09752	2.2
179.10771	7.3
197.11823	34.7
198.12082	2.5
209.11852	3.2
241.10806	2.0
255.23262	68.4
256.23602	5.9
263.87949	1.0
412.02774	1.0
495.84448	0.9
593.26654	1.0
617.32520	1.1
689.30511	1.1
715.42688	100.0
716.42987	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	716.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19655	0.7
56.39479	0.9
59.01373	3.4
61.98827	14.9
65.09613	0.7
71.01363	1.7
75.41800	0.8
78.62833	0.7
101.02460	0.9
102.65721	0.8
105.03487	1.0
109.02949	1.5
117.03502	1.5
123.04512	4.8
132.02197	1.6
133.02948	29.9
134.03349	0.8
135.04514	29.8
136.04912	1.3
141.23840	0.8
149.02496	1.2
149.06041	2.5
150.03194	5.7
151.04002	12.4
159.16121	0.8
161.02425	100.0
162.02843	4.1
175.03983	1.9
177.05501	4.1
179.01894	1.3
179.03474	24.5
180.03860	0.9
203.03494	9.3
208.21275	0.8
221.04486	2.8
409.27997	1.0
427.12494	1.0
431.93921	1.0
487.14529	6.9
511.26196	0.9
544.37030	0.8
621.18188	35.9
622.18500	7.6
640.20795	0.8
653.20782	58.3
654.21198	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	716.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
61.98829	7.7
64.82525	0.7
71.01372	2.1
73.02963	1.1
77.03901	0.6
89.02420	1.1
101.02437	2.0
103.04010	1.3
105.03455	1.1
108.02165	0.7
109.02924	2.1
111.00878	1.7
122.03750	0.9
123.04530	5.8
125.02415	0.7
132.02168	1.2
133.02954	35.8
134.03665	1.6
135.04512	31.4
136.04807	1.2
137.02458	0.8
139.04016	1.1
139.59938	0.7
149.02414	1.8
149.06064	2.2
150.03233	9.5
151.04015	11.4
160.01776	0.6
161.02426	100.0
162.02779	4.9
165.05521	2.9
175.03979	3.0
177.05490	3.5
179.01901	1.3
179.03474	24.5
180.03880	1.5
193.05098	1.1
195.06592	3.9
203.03481	10.8
221.04544	2.7
251.05452	0.7
427.12268	1.3
469.13480	1.0
487.14566	5.3
488.14368	0.8
525.21307	2.3
621.09528	0.7
621.18182	32.0
622.18738	5.9
653.20837	47.3
654.21167	11.4
717.25555	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	716.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66644	0.2
59.01377	0.9
60.72753	0.2
61.98824	100.0
71.01378	0.3
71.53008	0.3
81.19678	0.2
89.02448	0.2
95.92643	0.2
101.02451	0.2
139.86887	0.2
145.43063	0.2
161.02435	0.6
179.03436	0.2
209.11829	0.3
211.13376	0.4
213.15353	0.2
379.20453	0.2
608.83038	0.3
628.65094	0.2
672.44043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98522	0.1
74.30247	0.1
82.56332	0.1
123.93919	0.1
167.58379	0.1
255.14363	0.1
305.94998	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	716.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85570	0.1
59.01378	1.1
61.98827	100.0
62.98535	0.3
90.85104	0.1
98.19932	0.2
101.02450	0.1
108.18737	0.1
120.61102	0.1
255.23418	0.1
256.23657	0.1
297.15488	0.1
397.13571	0.1
398.13745	0.1
399.14105	0.2
496.14047	0.1
511.16254	0.1
599.21741	0.3
636.21442	0.1
650.22095	0.1
657.22229	0.3
717.23950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98821	1.0
69.77238	0.1
71.01385	0.2
78.95897	0.5
79.95731	3.5
83.01378	0.9
96.96006	100.0
97.95943	0.4
105.14356	0.1
114.93424	1.0
118.02970	0.2
122.09808	0.1
132.02174	0.2
133.02939	1.8
134.03748	0.2
135.04539	1.4
136.01646	0.7
137.02368	0.2
151.03978	0.7
161.02429	5.3
161.03764	0.3
162.02820	0.2
177.05569	0.2
179.03481	1.0
193.05045	0.2
221.04517	0.2
250.07475	0.4
265.09753	0.8
271.10773	0.2
321.52664	0.2
323.07669	0.9
356.12573	0.2
371.14816	1.3
372.15512	0.2
528.54480	0.2
565.20728	0.4
597.23547	0.4
653.18781	0.3
681.21765	4.9
681.33386	0.3
682.22223	0.9
689.88818	0.2
717.28674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33691	1.1
59.01378	23.0
61.98822	3.9
69.31472	9.9
71.01373	17.1
72.99318	1.8
73.02950	1.6
74.07053	1.0
83.01375	1.6
85.02945	4.5
87.00857	1.7
89.02443	19.1
93.03463	4.8
95.01399	2.0
96.95988	2.0
101.02459	10.5
107.05054	1.9
108.02167	35.9
111.00841	2.1
113.02451	7.9
116.09779	1.2
119.01364	2.5
119.03514	7.9
119.05019	2.3
121.02945	7.9
122.03728	12.7
123.04524	1.8
132.02077	1.1
133.02953	3.8
134.03726	4.1
135.04515	14.3
136.01573	1.3
139.04022	1.9
143.03467	2.3
147.00899	2.1
147.04489	1.7
149.02431	39.9
150.03224	78.7
151.03668	3.6
153.05618	1.3
161.02428	9.0
161.04507	2.4
161.28418	1.2
162.03098	1.2
163.03983	5.4
164.04779	23.7
165.05550	62.5
166.02745	1.2
166.05893	3.1
175.00331	14.9
176.01067	2.6
176.04568	1.3
177.05585	2.9
179.03563	2.1
179.05582	4.1
179.07121	4.6
180.04308	4.4
187.04056	1.4
188.04649	1.5
190.02713	46.5
191.03412	10.7
193.01395	2.2
195.06624	30.7
196.06841	1.7
203.07097	1.3
205.05043	59.4
206.05754	13.1
207.02971	3.1
208.03743	6.5
209.04367	1.8
221.08195	9.3
222.05197	1.5
223.06091	35.9
224.06335	1.4
235.02415	1.4
237.07671	3.6
250.04781	2.1
265.07141	41.2
266.07440	3.1
288.38669	1.2
295.08298	6.9
311.09210	1.5
325.09116	8.3
326.11731	1.9
341.13855	3.9
366.67535	1.3
367.10507	1.5
371.11292	7.5
385.11435	3.5
413.12396	4.8
419.13669	7.2
461.14438	5.2
519.14667	2.7
521.16589	100.0
522.16901	15.8
717.24426	6.3
718.24982	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.56645	0.6
60.01721	0.8
61.98827	7.7
69.29465	1.0
69.29801	5.1
438.09372	1.1
452.11133	1.0
453.12045	1.9
457.18814	1.3
459.16943	1.1
467.13184	1.4
480.13925	1.2
481.11609	2.7
495.17505	0.8
496.13910	13.8
497.14166	4.7
498.15283	2.0
509.15280	0.9
510.15619	4.4
511.16071	8.1
512.16736	3.8
513.17926	2.8
514.17816	0.6
523.15918	1.3
527.18726	0.7
528.12769	1.4
530.14600	1.0
538.15222	1.9
539.19031	2.6
544.15723	2.8
545.16327	1.4
551.15912	1.1
553.17731	1.2
567.18756	9.1
568.19568	3.0
570.17700	1.8
571.18286	6.7
572.19031	1.5
583.18005	0.9
589.19574	1.1
597.20105	2.3
598.20587	3.5
599.21423	29.8
600.21558	8.2
602.16351	2.7
625.19525	2.9
626.18903	0.8
630.19678	1.5
631.20087	1.3
643.19611	0.9
657.22058	16.5
658.21991	5.6
717.24115	93.6
718.24353	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	717.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	91.1
60.01731	0.9
61.98828	3.6
62.93585	0.7
64.81654	0.6
74.56878	0.6
90.99136	0.7
170.92662	0.8
294.97540	0.7
341.36621	0.7
355.44348	0.9
438.09451	0.9
441.15628	1.1
453.11505	1.3
457.18787	1.5
459.16629	1.6
466.12317	0.7
467.13718	0.9
480.14331	1.4
481.11508	2.6
482.11951	1.0
493.15027	0.7
495.16779	0.9
496.13763	13.9
497.14359	8.7
498.15097	3.1
499.15506	0.8
509.14737	1.3
510.15179	4.0
511.16104	8.1
512.17078	2.8
513.17688	4.3
514.17798	1.5
515.97266	0.7
523.15961	0.6
528.12543	1.1
537.14117	0.8
538.14648	2.0
539.20056	3.8
540.19745	1.0
544.15912	7.5
545.16516	2.6
551.15833	0.8
553.16675	1.2
567.18835	10.4
568.18793	3.4
570.17682	2.4
571.18353	11.9
572.18494	3.4
583.17419	1.4
584.18713	0.8
597.19983	3.0
598.20721	4.2
599.21423	38.1
600.21747	11.0
602.16138	3.4
625.18994	1.9
630.20184	1.4
631.20483	0.8
643.20422	1.0
657.21997	19.7
658.22052	6.0
717.24127	100.0
718.24347	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.3
59.01370	1.4
60.99298	1.1
61.98827	0.2
62.42472	0.2
67.01884	2.6
69.03459	0.8
69.53039	1.5
71.01374	1.5
81.03456	0.8
83.05009	0.4
85.02943	4.5
87.00869	4.8
88.98804	0.2
89.74529	0.2
93.03451	18.7
94.03777	0.6
99.00900	0.5
99.04519	0.4
109.02943	0.4
111.04510	2.8
113.02470	0.4
119.05016	6.7
120.05347	0.3
127.04029	1.4
129.01926	0.9
133.02946	0.2
134.36186	0.2
135.04558	0.3
143.03470	0.3
145.02971	1.5
155.03474	0.3
163.03992	5.7
166.13081	0.2
171.03058	0.3
173.04527	6.3
183.06702	0.2
191.05589	100.0
192.05931	3.9
257.11423	0.2
337.09235	31.8
338.09552	3.0
341.62347	0.2
345.22943	0.3
353.09039	0.2
517.40375	0.2
573.57916	0.3
585.92926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03436	1.2
59.01377	28.4
61.98816	2.5
65.03960	43.3
66.04289	0.8
67.01876	1.3
68.99817	5.1
69.03448	8.3
69.52951	5.7
71.01379	20.9
72.99297	1.8
73.02943	2.7
83.01363	2.4
85.02950	6.2
87.00856	1.9
89.02435	12.1
93.03456	8.3
95.01374	1.5
95.05013	4.7
96.96001	1.0
97.02941	0.8
99.00890	5.1
101.01820	0.9
101.02435	11.6
103.05525	1.8
106.04218	2.7
107.05025	1.1
111.00844	1.3
113.02436	6.6
119.03466	3.6
119.05012	4.9
121.02979	1.5
121.06597	21.2
123.04489	1.1
125.02467	0.8
135.04555	1.7
137.06081	1.6
139.04010	75.2
140.04312	3.5
147.04501	1.1
149.02374	1.5
150.03210	5.1
160.11755	0.7
161.02408	2.6
161.04504	1.0
165.05560	25.3
165.09200	2.9
166.05873	1.1
179.03497	1.2
181.05049	0.8
183.06635	18.5
184.07010	1.0
195.06659	4.5
209.04544	27.2
210.04955	1.5
221.11684	0.8
227.05533	1.1
260.14072	0.8
297.04126	1.0
327.14560	2.0
329.13715	1.6
345.11813	3.4
345.15488	11.2
387.16403	1.7
389.10892	5.4
408.09784	1.0
493.20984	1.1
507.20035	1.8
537.19836	1.1
555.22021	3.1
654.20105	1.0
657.36835	0.9
673.27332	7.7
674.27338	2.4
717.26050	100.0
718.26465	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	718.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
59.28751	0.2
61.98827	100.0
62.98525	0.3
71.01402	0.3
95.37704	0.2
97.30750	0.2
98.20662	0.4
124.16177	0.2
137.30362	0.2
143.03391	0.2
161.02454	0.4
161.64825	0.2
233.27351	0.2
236.04077	0.2
248.44182	0.2
377.71722	0.2
471.34836	1.0
576.75842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33306	0.2
59.01373	1.0
61.98825	100.0
62.98545	0.2
63.18281	0.2
64.04700	0.1
67.32323	0.2
69.90853	0.5
69.91262	0.2
70.74684	0.1
71.01382	0.4
71.29507	0.2
72.52985	0.2
74.42649	0.1
79.91604	0.2
85.02975	0.2
89.02454	0.2
96.96008	0.2
98.20709	0.2
101.02406	0.3
113.02463	0.3
115.92141	0.2
116.92844	0.4
133.02963	0.6
135.04497	1.2
161.02422	2.0
179.03493	1.5
203.03584	0.4
207.10280	0.5
209.11839	0.8
210.12148	0.2
211.13351	0.2
223.13484	0.2
224.32259	0.2
225.11302	0.2
261.43896	0.2
273.16965	0.4
274.17554	0.2
427.12653	0.2
487.14731	0.4
621.18683	0.3
622.19543	0.3
719.26666	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	719.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71546	0.5
59.01381	6.5
61.98829	3.3
71.01385	4.8
71.34001	0.9
72.99313	0.9
73.02939	2.7
79.95725	1.3
81.95316	0.7
83.01375	2.1
85.02929	2.5
87.00858	1.9
87.04498	0.6
89.02451	1.9
95.01359	1.3
96.96003	40.9
97.95963	1.1
98.95589	19.6
98.96410	3.4
98.99072	0.6
99.00806	0.7
99.92579	21.9
100.92587	1.5
100.93358	2.2
101.02439	2.6
103.04006	0.6
105.03446	1.4
109.02971	1.4
113.02447	3.0
115.04018	1.0
115.91232	0.8
115.92068	25.6
116.92854	100.0
117.03423	0.9
117.92886	5.1
121.02985	0.7
123.04517	1.3
125.02463	1.1
131.03539	1.0
132.02122	2.6
133.02950	35.4
134.03679	3.4
135.04517	23.7
136.01634	1.3
136.04871	1.0
137.02409	2.4
139.04005	0.8
140.92859	1.6
141.93626	1.1
142.94417	2.2
143.03510	1.6
148.05254	0.6
149.06079	1.2
150.03256	0.6
151.03983	1.7
158.93933	1.0
161.02431	79.2
162.02751	5.0
174.93436	0.6
175.03943	0.8
177.05568	2.6
178.02661	0.9
179.03487	19.7
180.03880	0.9
184.91806	3.1
184.95496	0.7
186.93497	0.8
191.10828	0.7
196.95555	0.8
203.03479	5.3
203.10706	1.1
204.04073	0.8
205.07141	0.9
221.04485	2.2
231.10263	0.8
242.96043	1.7
251.05664	0.8
314.23956	0.7
319.14032	0.6
323.07642	1.2
371.14691	0.7
427.12497	0.9
477.13861	0.9
486.13800	0.6
487.14578	7.4
488.14706	0.8
495.26544	0.6
513.26941	2.8
557.22443	2.6
615.11487	1.5
616.11438	0.8
621.18011	2.5
622.19012	10.4
623.19153	2.0
633.13043	3.0
645.11768	0.7
657.12469	1.1
675.13757	4.8
676.13733	1.6
681.21735	7.3
682.22107	1.9
683.22614	2.1
719.12732	11.0
719.25537	38.0
720.13043	2.7
720.25861	7.3
720.36292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.201
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02634	0.9
59.01378	5.5
62.47978	0.8
69.29304	3.6
69.29730	3.6
71.01368	4.6
79.90929	0.8
85.03033	1.0
86.11368	0.9
89.02448	9.6
90.61733	0.9
101.02444	2.5
113.02436	3.6
119.03469	1.6
122.82658	0.8
137.33624	0.9
161.04565	1.4
179.05605	4.2
215.03268	4.9
245.48317	0.8
299.68268	0.9
341.10822	21.1
342.11081	1.9
377.08505	100.0
378.08884	8.4
454.54703	0.8
612.89471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.6
61.98823	0.5
65.57130	0.3
69.03455	0.5
71.01376	4.4
72.99310	0.4
73.02943	3.5
77.03931	0.4
83.01420	0.5
85.02948	1.7
86.00106	0.6
87.00861	2.3
87.04514	0.8
89.02457	1.4
95.01402	0.3
97.02942	0.6
101.02428	2.6
103.04008	0.9
104.06610	0.3
105.03476	0.9
107.05047	0.7
109.03008	0.5
113.02442	0.9
115.04020	1.2
117.03438	0.6
119.03536	0.4
123.04506	0.4
125.02464	0.7
131.03513	2.4
131.04893	0.4
132.02188	3.2
133.02950	47.3
134.03488	1.8
135.04521	21.0
136.04840	0.8
139.03993	0.4
143.03482	2.1
145.05025	0.5
146.03773	0.6
149.06044	0.4
159.04474	0.8
161.02431	100.0
162.02765	4.9
172.05334	0.7
173.06108	1.5
175.03996	0.6
177.05542	0.9
179.03496	12.0
187.04036	0.7
187.07613	5.5
189.05629	0.4
201.05522	1.4
202.06320	7.7
203.03491	1.2
203.06831	0.4
205.07114	2.1
213.09358	0.4
216.07863	0.7
220.07388	0.6
229.50871	0.4
231.10252	4.8
249.11168	1.5
257.08142	0.4
275.32977	0.3
325.98587	0.5
343.47266	0.3
481.10339	0.3
539.21112	1.8
540.21600	0.4
545.50171	0.4
557.22308	7.8
558.22595	0.9
573.19257	0.5
701.24207	1.2
702.24780	0.6
719.25513	80.4
720.25806	19.7
748.96637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51632	0.4
57.03446	0.7
59.01378	5.2
61.98825	1.3
67.35394	0.4
69.03441	1.1
69.28604	3.6
71.01376	4.5
72.99284	0.6
73.02942	2.6
85.02943	3.8
87.00868	2.0
87.04505	1.0
89.02426	1.3
95.01403	1.2
96.96094	0.4
101.02429	2.0
103.04015	0.9
105.03460	0.7
113.02418	3.9
115.04021	1.0
117.03491	0.9
119.03473	0.6
123.04547	0.5
125.02450	0.5
131.03526	1.1
132.02148	3.2
133.02950	49.4
134.03596	1.5
135.04520	19.7
136.04834	0.9
143.03436	1.9
147.04539	0.6
150.96219	0.4
159.04507	1.2
161.02429	100.0
162.02802	4.7
162.78290	0.4
172.05267	0.4
173.06044	1.5
177.05554	0.8
177.82121	0.5
179.03481	10.6
187.03987	1.0
187.07599	5.8
190.06348	0.5
201.05550	1.4
202.06332	8.2
203.03508	0.9
203.10764	0.6
205.07152	1.0
213.09239	0.5
216.07893	0.7
219.10255	0.6
219.33757	0.5
220.07396	0.6
231.10194	5.4
232.10857	0.6
249.11272	1.0
277.04379	0.4
277.42944	0.4
382.09225	0.5
528.98712	0.4
539.21399	1.2
540.20416	0.4
557.22272	8.8
558.22510	0.8
620.03687	0.4
622.19360	0.7
701.24933	1.0
716.29010	0.4
719.25488	72.1
720.25909	16.3
720.39032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34442	0.6
59.01379	6.3
65.21027	0.6
69.78522	0.6
71.01381	4.5
72.99276	0.7
73.02956	1.6
73.11209	0.6
85.02983	3.1
87.00890	2.0
89.02451	1.9
101.02427	1.9
103.04012	0.8
105.03464	2.1
107.05049	0.7
109.02950	2.5
111.00883	1.2
113.02461	2.6
115.04021	0.7
117.03480	1.5
121.02969	1.2
123.04510	1.5
125.02467	1.3
132.02173	3.0
133.02950	42.8
134.03789	7.1
135.04523	42.5
136.04834	2.2
136.58810	0.6
137.02406	3.5
147.04556	0.7
149.06055	1.9
153.05542	1.6
160.01579	1.0
161.02429	100.0
162.02765	5.4
163.06169	1.0
175.03979	3.1
177.05510	4.8
178.02666	4.2
179.03485	47.7
180.03809	1.6
189.05521	1.2
194.02219	1.0
203.03481	12.6
204.03979	2.4
205.07143	1.0
207.06854	0.6
216.04173	0.7
221.04515	3.8
229.17648	0.7
233.04506	1.5
251.05659	1.3
278.70480	0.7
409.55627	0.7
427.12408	2.7
469.13202	0.8
477.13766	1.0
486.14075	1.3
487.14514	29.0
488.14929	3.2
621.18134	4.0
622.18976	39.5
623.19073	8.0
719.25409	24.1
720.25891	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	719.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06216	0.4
59.01371	6.2
61.98821	2.5
71.01382	3.6
73.02599	0.5
73.02927	2.9
73.10197	0.5
79.29293	0.6
79.86799	0.5
83.01380	0.9
85.02943	2.7
87.00871	2.2
89.02442	2.1
95.01405	0.6
97.02910	0.5
99.00910	1.1
101.02448	2.3
103.04028	0.9
105.03403	0.8
109.02940	1.6
111.00910	0.6
113.02437	3.3
115.04030	0.8
117.03429	1.1
119.03467	0.6
121.02956	1.0
122.03714	0.7
123.04522	1.2
131.03452	0.7
132.02155	2.8
132.12001	0.5
133.02951	38.4
134.03760	8.0
135.04518	34.3
136.04832	2.0
137.02451	4.5
139.04001	1.4
143.03499	1.2
145.02980	0.8
149.06096	2.8
150.03212	1.0
151.03902	0.6
153.05542	1.3
160.01671	1.0
161.02431	100.0
162.02757	5.4
163.06102	1.2
175.04010	3.4
176.04866	0.6
177.05557	4.4
178.02742	2.8
179.03487	40.3
180.03786	2.3
189.05528	1.3
202.06320	0.7
203.01601	0.8
203.03482	13.3
204.04059	1.4
205.07164	0.7
209.11723	0.8
221.04539	4.0
233.04486	2.1
251.05521	1.2
267.98492	0.5
284.06952	0.6
367.00159	0.6
427.12256	2.3
453.70844	0.6
458.14160	0.9
460.15771	0.6
469.13486	0.8
475.50034	0.6
477.14017	1.1
487.14520	22.1
488.14932	2.5
557.21881	1.1
621.17908	3.9
622.18933	28.3
623.19025	5.4
719.25476	32.7
719.77954	0.6
720.26025	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	719.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03443	1.8
58.57050	0.5
59.01380	10.6
65.03960	38.3
66.04301	1.1
68.00929	0.4
68.99809	5.9
69.03453	8.5
71.01379	15.4
72.99322	1.1
73.02941	4.4
81.03483	0.9
83.01376	3.0
85.02942	9.1
85.03461	0.5
86.00098	0.6
87.00885	1.3
89.02429	2.3
91.05515	1.0
93.03452	7.9
95.01405	1.6
95.05022	4.8
96.96015	0.7
97.02962	0.7
99.00877	4.9
101.02439	10.0
101.03102	0.7
103.05547	1.9
106.04236	2.2
107.81905	0.4
109.06599	0.6
111.00832	0.7
112.01655	0.5
113.02446	6.3
119.05013	3.5
121.02949	0.9
121.06591	19.6
122.06897	1.1
125.02478	0.5
137.06068	0.8
139.04005	68.2
140.04326	3.0
143.03445	0.6
147.04501	1.2
155.73488	0.5
161.04553	1.2
163.07635	0.6
165.05556	18.1
166.05853	1.0
168.53371	0.4
181.05051	0.5
183.06606	11.7
184.06934	0.7
185.11887	0.8
209.04530	22.4
210.04868	1.6
227.05634	1.0
229.36571	0.5
274.12036	0.5
285.17029	0.5
286.09827	0.5
329.16022	7.6
330.16281	0.6
341.75385	0.4
345.11774	2.8
347.17105	13.7
348.17450	1.7
361.18536	0.6
389.10638	1.9
389.18164	2.9
449.20087	1.0
675.28699	8.8
676.28778	1.5
701.26691	0.5
719.27606	100.0
720.27960	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36917	0.1
59.01371	1.3
61.91879	0.1
61.98827	100.0
62.98525	0.1
64.31913	0.1
67.59986	0.1
76.54147	0.1
83.99588	0.1
84.84929	0.1
124.84615	0.1
146.09921	0.1
277.21628	0.1
453.83008	0.1
498.14084	0.1
499.13983	0.2
570.18799	0.1
574.18671	0.1
600.22095	0.1
601.21796	0.1
602.21765	0.3
660.22272	0.2
720.22351	2.6
721.21936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33707	0.6
59.01382	1.0
61.98826	23.5
64.42390	0.6
69.38912	4.4
94.55241	0.6
152.99524	0.7
161.02498	0.6
161.71046	0.5
464.14764	0.8
494.15851	1.2
495.16608	1.6
507.16849	6.4
508.17029	1.6
510.15509	0.7
521.13623	3.0
526.14746	1.3
534.15277	1.0
539.15875	2.2
540.16028	0.9
549.17645	6.0
550.17627	2.0
553.17249	18.4
554.17493	5.8
566.17267	3.1
567.18555	1.3
581.20123	3.2
582.19769	1.2
584.19147	0.8
598.17139	2.9
657.21979	100.0
658.22168	29.9
660.22559	1.6
696.63586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33464	0.1
59.01373	0.8
60.01698	0.2
61.98828	100.0
111.99855	0.1
161.02431	0.1
188.61819	0.1
208.25450	0.1
262.62137	0.1
293.08496	0.1
294.63486	0.1
413.60086	0.1
465.10175	0.1
479.82877	0.1
483.26880	0.1
499.14059	0.1
590.22784	0.1
602.21350	0.3
644.83240	0.1
657.20746	0.1
660.21057	0.2
720.21985	3.1
721.22015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
61.98827	100.0
62.98533	0.2
70.08061	0.5
96.96027	0.3
98.19945	0.2
130.85707	0.2
133.02968	0.4
135.04517	0.3
161.02420	1.0
179.03496	0.3
209.11929	0.2
261.87280	0.2
426.64844	0.2
540.81995	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	721.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51838	0.5
52.59006	0.5
55.01877	1.1
57.03442	1.5
58.00587	2.1
59.01376	71.2
60.01693	0.7
61.98819	3.3
65.03950	0.7
69.03468	1.0
69.73367	1.2
69.73755	1.3
71.01375	34.2
72.01707	0.9
72.99300	2.9
73.02942	9.5
75.00851	0.5
83.01388	4.7
85.02943	10.2
87.00861	2.6
89.02438	20.9
95.01390	3.1
97.02940	0.6
98.19955	0.6
99.00861	0.8
101.02432	20.8
102.02760	0.6
109.02948	0.9
113.02452	10.4
113.03171	0.9
117.03341	0.5
119.03490	7.0
121.02952	0.8
125.02423	1.2
131.03477	1.0
132.02229	0.8
133.02946	9.2
134.03232	2.7
135.04529	10.0
136.04834	3.0
137.02417	0.9
139.03946	1.3
143.03494	1.3
149.06111	0.6
150.06337	0.5
151.77617	0.5
161.02426	21.8
161.04550	1.3
162.02782	7.7
163.02966	3.0
177.05573	0.6
179.03482	9.7
179.05618	1.3
180.03883	3.1
181.03932	1.5
203.03503	3.2
204.03786	2.1
205.04051	0.6
206.29951	0.5
209.04570	0.9
209.11922	1.3
275.20074	1.2
293.21597	0.6
437.25378	1.2
455.26511	5.1
456.26596	1.0
487.14340	1.9
488.15170	3.4
489.15082	3.8
497.27521	100.0
498.27905	15.8
503.17590	0.5
515.28510	1.7
621.18005	0.6
622.18933	1.0
623.19159	2.0
624.19550	7.4
625.20306	0.7
634.86560	0.5
677.33765	38.2
678.34314	8.1
720.79315	0.8
721.26038	10.1
722.26410	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	13.5
61.98818	0.5
62.33612	0.3
63.04078	0.3
69.03436	0.8
71.01375	5.2
73.02968	0.8
80.02684	0.9
81.03455	2.0
83.01379	1.1
83.05012	2.9
84.02186	0.3
85.02952	1.4
87.00878	0.9
89.02442	4.5
93.03459	0.6
95.01360	0.5
95.05038	0.7
97.02939	5.7
97.06616	0.4
99.00889	1.2
101.02438	6.3
106.04246	0.8
107.05013	0.7
109.06583	34.9
110.03735	1.1
110.06911	1.0
111.04550	0.4
113.02454	2.2
119.03519	1.2
121.06567	1.8
123.04488	0.4
125.02454	0.4
125.06056	0.4
135.08147	3.9
136.05310	1.4
142.02724	1.5
143.03462	0.5
145.10207	0.4
161.04552	1.2
161.09717	1.8
163.11278	18.8
164.11580	0.8
179.05603	0.7
179.10791	0.8
181.12346	4.2
182.46074	0.3
189.09178	3.4
191.10736	0.4
198.46886	0.4
201.89998	0.3
207.10240	100.0
208.10582	6.4
209.11852	1.7
221.11806	0.4
225.11301	33.8
226.11627	2.2
233.22717	0.4
235.08224	3.3
243.12285	0.8
253.09276	12.3
254.09586	0.6
259.20706	0.3
275.20322	0.3
277.21698	74.9
278.22076	7.2
281.13931	0.8
299.15079	1.0
330.56454	0.3
423.32553	0.7
441.33868	1.9
442.34457	0.5
443.19189	5.6
444.19330	0.3
461.20251	11.8
462.20615	1.3
467.31445	0.6
485.32678	0.7
703.40533	1.1
721.41614	32.5
722.41870	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	721.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61179	0.8
52.99269	0.8
59.01379	13.4
61.98817	3.2
69.03445	0.9
69.81320	0.8
71.01379	6.7
71.32302	0.8
73.02935	1.3
81.03461	1.0
83.05019	3.1
85.02941	2.6
87.00891	1.7
89.02449	5.0
95.01390	2.0
95.05017	3.0
97.02927	3.9
100.59742	0.8
101.02428	6.2
106.04212	1.1
109.06592	11.9
110.03744	2.1
111.04482	1.9
111.08128	0.9
113.02406	3.5
115.08301	1.0
119.03477	1.4
125.02442	0.9
133.03001	1.2
135.04552	0.9
135.08130	1.9
161.04532	1.8
161.09657	0.9
163.11281	12.6
179.05547	2.4
179.10767	2.2
181.12337	2.5
189.09201	6.0
197.11839	1.6
207.10237	44.2
208.10590	2.3
225.11298	100.0
226.11586	6.1
235.08125	5.1
253.09247	12.6
275.20160	1.2
277.21701	75.8
278.22067	6.5
281.14087	1.3
299.14929	1.4
336.45441	0.9
349.44958	0.8
384.78897	1.0
443.19278	8.9
444.19305	1.1
461.20288	25.2
462.20419	1.7
517.96008	0.9
721.41711	20.9
722.42035	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	721.4161
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
50.61728	0.5
57.48710	0.5
59.01374	7.3
61.98832	4.1
66.23181	0.5
71.01380	3.7
73.02935	1.2
81.03454	0.8
82.60116	0.5
83.01335	0.6
83.05028	1.4
85.02942	1.4
87.00887	1.6
88.11374	0.7
89.02438	1.8
95.05039	0.7
97.02959	3.2
97.80550	0.6
98.19902	0.9
99.00874	0.7
101.02441	3.8
109.06583	14.8
110.03757	1.0
111.04501	0.7
113.02449	1.9
121.06599	1.6
127.04070	0.7
135.08156	2.3
136.05254	1.2
140.25011	0.7
142.02667	1.1
145.05060	1.2
161.04539	1.8
161.09654	1.0
161.93581	0.6
163.11287	9.2
179.05649	0.8
179.10736	0.9
181.12364	1.6
189.09203	2.5
205.19460	0.6
207.10231	55.2
208.10553	3.3
209.11797	1.6
225.11305	16.5
225.13560	0.7
235.08177	5.9
242.84566	0.5
253.09242	11.5
254.09581	0.7
277.21692	100.0
278.22028	10.5
329.19476	0.7
441.34097	0.6
443.18741	3.0
456.23163	0.6
461.20282	4.2
467.31842	0.9
467.53436	0.7
513.30438	0.9
612.79218	0.7
713.93024	0.7
721.41626	30.0
722.41956	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	723.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41329	0.4
57.03431	0.6
61.98816	3.3
68.71144	0.3
71.01382	2.2
73.02953	0.8
81.03463	0.4
83.01379	1.1
83.05025	0.5
85.02943	8.4
87.00879	2.1
89.02423	0.5
93.03457	4.2
101.02444	1.2
109.02955	1.3
111.04518	1.2
113.02451	0.6
119.05030	0.4
121.02893	1.7
127.04008	1.8
135.04524	1.4
136.05234	0.3
137.02435	0.8
159.04555	0.5
161.02409	1.5
162.03049	0.6
171.02956	0.5
173.04527	0.8
179.03511	0.5
183.10208	0.8
191.05600	53.3
192.05946	2.2
193.55888	0.4
204.04263	0.4
209.06017	0.5
224.04706	0.5
225.05586	1.2
230.14232	0.4
237.05562	1.7
240.03978	0.4
241.08228	0.3
253.05003	2.6
254.05719	2.1
255.06720	0.8
263.66516	0.3
266.02109	0.5
268.07452	0.9
279.06476	0.5
281.04489	4.0
282.05344	4.7
283.05740	0.7
293.07993	0.4
294.05273	0.5
295.06039	0.7
296.06815	1.5
307.06116	0.7
308.06918	1.2
309.07642	2.0
321.07501	0.5
328.05820	2.4
335.05478	0.5
335.09256	1.4
336.06403	0.4
336.10150	0.4
365.06583	1.5
366.10934	0.5
371.15021	0.7
377.10214	0.8
379.08194	1.9
394.10333	0.8
457.12918	1.0
479.53311	0.4
487.14038	0.6
488.14725	1.3
490.15790	0.5
498.27863	0.8
499.14255	0.7
499.28311	0.8
501.11945	0.9
505.18411	0.5
515.13342	0.7
516.13892	2.6
517.15167	0.4
517.29938	1.4
531.16553	100.0
532.16876	18.1
532.24982	0.6
679.33228	0.4
691.34851	0.4
723.22565	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	723.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
56.02277	0.5
57.03428	0.6
58.00591	1.4
59.01374	52.4
60.01715	1.0
65.03957	2.9
69.03464	1.4
70.36160	1.0
71.01376	34.5
71.93709	0.5
72.01736	0.7
72.99305	2.8
73.02955	1.3
81.03426	0.5
83.01381	2.4
85.02945	7.3
87.00887	2.9
89.02437	42.8
90.02776	0.8
93.03436	0.9
95.01379	3.2
95.05026	0.6
100.43566	0.5
101.01801	1.0
101.02435	16.9
107.05008	1.8
109.06584	6.6
111.00872	5.8
113.02438	13.8
119.03492	15.1
119.04900	0.6
121.06583	1.5
125.02419	0.6
131.03476	1.8
139.04016	4.1
141.01924	16.4
142.02223	0.9
143.03522	3.0
149.02428	0.8
149.04555	1.2
153.05562	55.2
154.05884	1.9
161.04593	3.4
161.05710	0.5
164.04784	0.9
165.05545	1.9
179.05606	16.9
179.07108	1.8
180.05949	0.6
183.06621	2.5
209.04497	0.5
333.11874	100.0
334.12210	8.9
345.11829	1.8
389.10791	10.2
390.11285	1.2
391.11801	0.5
412.17245	0.6
629.46899	0.5
629.97992	0.5
630.29639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
57.03425	3.0
59.01105	1.2
59.01376	12.5
61.98828	32.4
65.03960	52.0
66.04279	1.5
68.99796	5.7
69.03453	12.5
69.14134	7.6
71.01379	12.8
71.05006	1.5
71.22523	0.8
73.02952	4.8
83.01369	2.7
85.02953	7.5
87.00864	3.2
89.02419	3.5
93.03455	8.6
95.05010	6.0
97.02905	1.4
99.00868	5.6
99.04530	4.0
101.02437	10.6
101.06085	2.0
103.05536	1.7
106.04208	3.1
107.05025	1.5
109.06587	1.1
111.00851	1.1
111.04530	4.2
113.02452	5.5
119.03497	1.4
119.05023	5.8
121.02898	1.4
121.06586	26.9
122.06931	1.2
123.08154	1.2
133.10217	0.9
135.04456	1.5
135.08151	1.1
137.06078	1.6
139.04004	100.0
140.04327	3.1
151.11287	5.4
153.09286	2.0
161.02443	2.5
161.04591	1.6
163.07639	1.3
165.05560	31.1
166.05919	2.0
169.12291	2.0
174.01689	0.9
174.03041	0.9
179.03488	1.5
179.07086	0.9
183.06615	28.9
183.13866	1.1
184.06976	0.9
209.04530	53.4
210.04829	2.9
219.17499	1.5
227.05539	3.7
239.16502	7.0
271.20618	1.1
289.21713	1.5
307.22839	1.1
327.10773	1.7
333.20691	6.7
345.07996	1.5
345.11890	19.3
346.12265	1.8
351.21704	7.5
371.09714	1.7
371.14645	1.4
389.10873	22.5
390.11151	1.2
393.22775	3.5
439.15817	2.9
483.14737	1.4
496.66205	1.0
517.29834	1.8
619.36768	1.1
635.21106	1.6
661.31744	1.0
663.37512	1.5
679.33484	15.2
680.33466	2.7
723.32239	83.3
724.32574	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	723.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.03432	0.1
58.00607	0.1
58.77101	0.1
59.01374	3.0
69.71680	0.3
69.72086	0.3
71.01373	2.2
71.05013	0.2
73.02941	0.4
73.13943	0.1
75.42511	0.1
80.02675	0.7
81.03449	1.2
83.01380	0.4
83.05019	4.0
84.02171	0.6
85.02934	0.4
87.00917	0.2
89.02435	1.8
93.03478	0.2
95.01332	0.1
95.05020	0.5
97.02949	0.2
99.00861	0.2
100.32263	0.1
101.02431	1.8
109.06587	0.2
109.48977	0.1
110.03761	0.1
113.02441	1.0
119.03481	0.4
125.02506	0.1
125.06097	0.5
125.09675	0.1
135.08162	0.5
143.03505	0.2
147.11800	0.3
155.14388	0.1
161.04590	0.7
163.11272	3.3
164.11519	0.2
165.12825	2.1
179.05544	0.4
181.12306	0.5
182.12645	0.1
184.48567	0.1
191.10722	0.9
199.13313	0.2
209.11798	100.0
210.12138	6.9
227.12854	10.6
228.13162	0.9
235.08206	1.3
251.13120	0.1
253.09248	7.9
254.09616	0.4
259.20496	0.2
275.20224	0.1
277.21680	47.5
278.18967	0.3
278.22015	5.3
365.88159	0.1
445.20718	1.0
446.21088	0.3
463.21716	0.2
723.43549	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	723.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02142	0.2
55.01855	0.3
58.00603	0.2
59.01369	4.2
61.98806	0.2
63.17442	0.1
69.03462	0.2
69.71484	0.9
71.01376	3.3
72.99274	0.2
73.02938	0.9
79.91428	0.2
80.02675	0.9
81.03444	1.1
83.01381	0.6
83.05018	3.8
84.02161	0.5
85.02946	0.9
87.00838	0.9
89.02438	2.2
95.01381	0.2
95.05029	0.6
97.02950	0.3
99.00868	0.3
101.02438	3.0
103.04002	0.2
113.02452	1.9
115.03989	0.2
119.03526	0.4
125.06060	0.5
125.54848	0.2
133.05032	0.4
135.08134	0.8
143.03465	0.3
145.05038	0.5
161.04538	1.5
163.11302	3.2
165.12836	2.0
172.98123	0.2
179.05490	0.4
181.12349	0.5
191.10735	0.9
199.13290	0.2
209.11804	88.2
209.70445	0.2
210.12144	5.7
227.12862	11.0
228.13191	0.6
231.85674	0.2
235.08199	5.3
253.09253	9.5
254.09593	0.4
259.20602	0.4
275.20242	0.3
277.21686	100.0
278.22037	10.9
377.93842	0.2
386.75882	0.2
445.20773	0.8
513.30939	0.3
584.68573	0.2
619.73944	0.2
723.41724	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61487	0.7
56.79947	0.7
56.83059	0.7
59.01382	6.9
61.98834	5.1
65.03966	4.1
69.03466	2.0
71.01378	7.1
73.02965	1.5
75.63947	0.7
79.10116	0.8
83.01395	4.1
85.02966	2.2
87.00901	1.3
89.02454	1.4
91.01903	2.7
93.03473	2.3
95.01394	0.8
95.05034	0.8
101.02448	3.1
107.05061	1.2
108.02206	1.4
109.02967	1.2
113.02481	2.5
113.05801	0.8
119.01353	7.3
119.05016	1.2
121.02957	6.1
121.06602	2.4
122.03739	1.3
123.00896	0.9
133.02917	0.9
134.03738	1.8
135.04515	2.4
136.01657	43.5
137.02081	1.7
137.06104	0.9
139.04005	10.9
147.00876	4.7
147.04523	1.3
149.02431	19.2
150.02972	1.1
151.03996	42.3
152.01190	1.3
152.04407	1.9
157.87021	0.7
159.04485	0.8
160.05202	1.2
161.02451	3.1
162.03201	2.5
163.03981	3.6
163.59697	0.8
164.04788	17.7
164.06184	0.9
165.01926	2.3
165.05560	4.2
175.00345	38.4
175.04028	1.6
176.00969	1.9
179.03517	1.7
179.07118	4.0
183.06633	2.8
189.01865	1.8
190.02698	100.0
191.03204	8.4
191.05579	1.7
191.07150	1.0
194.02107	0.9
205.05035	92.3
206.05431	5.9
208.03714	2.2
209.04527	7.2
209.11823	0.8
221.08098	1.0
223.06110	19.9
224.06454	2.2
225.14397	0.8
247.06133	1.1
321.40051	0.8
327.12372	3.9
342.10931	2.7
343.11862	8.6
343.59433	0.8
352.07816	1.6
353.08655	1.6
357.13330	9.5
367.10297	74.8
368.10602	6.7
371.14819	0.9
467.39993	0.9
477.30600	3.4
503.33505	3.3
519.31622	2.2
662.81268	0.9
681.34784	2.7
695.23175	1.2
725.24054	78.2
725.33569	6.3
726.24512	20.5
756.46570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
57.03437	5.4
58.00581	1.8
59.01377	61.8
61.98827	40.5
67.01907	1.5
68.99804	1.5
69.03454	4.9
71.01382	40.9
71.28777	1.7
72.99297	3.8
73.02943	12.4
75.00871	2.5
81.07084	1.4
83.01375	4.1
85.02951	20.8
87.00867	9.5
89.02435	35.7
95.01384	9.4
97.02958	4.2
99.00868	4.4
99.04501	5.1
101.02437	23.5
107.05022	1.3
108.02172	17.0
108.22222	1.3
110.20502	1.2
111.00871	13.6
111.04512	1.7
113.02442	40.1
114.02788	1.7
119.03500	15.6
123.00845	3.8
123.04502	4.1
129.01917	15.4
131.03458	1.7
135.04524	2.8
138.01094	1.4
140.01125	1.6
141.01936	38.5
143.03506	4.6
143.11836	1.2
146.08763	1.4
153.05511	2.7
159.02979	100.0
159.97774	1.2
160.03351	2.7
161.02446	2.0
161.04553	4.9
161.13332	19.3
179.05585	14.9
180.10172	1.3
187.11263	11.3
205.12312	42.8
206.12607	2.0
229.12192	1.8
249.11301	45.8
250.11710	2.9
347.14819	3.5
353.82581	1.3
385.18719	8.9
391.13947	28.9
392.14130	1.8
404.39908	1.3
411.16592	2.2
429.17624	77.5
430.17850	6.8
477.24927	2.2
502.32648	2.3
503.32294	1.5
515.25049	1.3
519.25543	3.5
553.19092	2.6
571.20270	68.3
572.20856	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	725.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.5
57.03436	2.0
58.00602	2.4
59.01375	62.0
60.01714	1.0
61.98827	9.9
69.03453	1.1
69.20105	10.5
69.92625	1.1
71.01376	49.0
72.99300	3.7
73.02937	7.8
76.97620	0.9
79.05494	1.1
83.01387	6.5
85.02947	17.5
87.00874	3.9
89.02437	21.9
93.03448	2.7
95.01364	5.4
95.05016	2.0
99.00880	3.7
99.04508	3.2
101.02434	23.8
106.04233	11.2
107.05025	100.0
108.02160	5.4
108.05340	3.6
108.77857	1.0
111.00893	1.9
113.02442	17.3
118.98051	1.2
119.03500	6.6
119.04989	1.5
120.05819	1.3
121.02957	1.5
123.04518	4.9
125.02412	1.8
133.02951	3.8
133.06586	1.7
135.04504	3.3
137.02412	1.4
138.03217	1.7
140.37514	1.1
141.01970	1.6
143.03508	3.4
143.08784	1.4
149.06073	2.6
151.03995	47.6
152.04326	2.0
157.06573	2.6
159.03018	2.2
159.11826	1.8
161.02432	4.6
161.04533	9.3
161.05815	1.9
161.09657	1.2
161.13354	23.1
169.10153	1.2
171.10310	1.2
173.09695	1.5
179.05542	4.0
185.09659	2.3
185.13272	1.1
187.11261	44.3
188.11592	4.0
189.12802	2.9
193.04997	1.6
201.12788	1.9
205.12326	22.5
206.12688	2.2
213.09190	1.1
229.12299	3.6
231.10257	3.2
231.13802	1.8
249.11200	6.4
269.10208	1.4
269.19168	15.3
270.19464	1.2
295.16998	8.6
313.09225	2.4
313.18094	19.1
314.18405	2.6
327.21750	1.5
337.18109	3.5
349.16467	6.9
355.19205	5.0
379.19070	16.1
379.23779	1.4
380.19339	2.6
387.73712	1.1
393.15378	1.9
397.20050	5.2
398.20462	1.2
411.16525	1.6
429.17654	3.8
457.21906	5.1
501.21268	14.5
502.21518	3.4
503.33731	8.5
545.20227	48.5
546.20740	9.8
571.20270	2.9
665.38776	2.4
725.26575	80.2
726.26978	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	725.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	2.8
59.01374	61.6
60.18237	1.0
61.98844	2.5
64.62990	1.0
70.82513	3.2
71.01379	42.8
72.99302	1.9
73.02946	2.9
83.01369	2.8
83.04986	1.2
85.02948	8.5
87.00845	2.0
89.02439	45.7
95.01378	3.0
95.05001	2.0
99.04491	2.8
101.02434	27.5
112.31062	1.2
113.02445	15.1
119.03498	16.0
120.05765	1.2
131.03525	2.4
133.05070	2.1
135.04486	2.5
143.03458	2.5
149.04504	1.3
151.06108	18.6
161.02419	4.6
161.04546	3.5
161.13370	13.9
162.13658	1.4
165.05515	1.4
170.31371	1.2
175.06113	1.9
179.05600	6.6
187.11273	23.8
188.11667	1.7
203.14484	1.4
205.12311	14.1
219.13835	1.9
229.12334	5.6
231.10242	3.4
247.13327	1.6
248.80933	1.2
249.11295	5.6
271.17816	1.1
291.12457	2.3
295.10345	5.2
313.11356	25.8
501.23383	3.3
545.22321	100.0
546.22748	16.6
725.28687	96.0
726.17682	1.7
726.29132	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	725.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95163	0.3
55.01874	0.6
57.03424	0.3
58.00592	0.9
58.42487	0.3
59.01375	27.9
60.01709	0.4
65.03920	0.3
71.01376	15.8
71.51008	0.3
72.01712	0.3
72.99283	1.4
73.02943	1.3
75.00884	0.3
78.95883	0.5
79.64571	0.3
83.01377	1.0
85.02953	3.1
85.06585	4.1
87.00874	1.2
89.02437	20.5
90.02763	0.4
90.34249	0.3
95.01367	1.4
96.95378	0.6
96.96004	10.7
96.96975	0.7
99.00888	0.5
99.08147	0.3
101.02441	10.1
113.02442	7.1
113.06085	9.9
114.01669	0.3
115.07626	0.7
119.02657	0.6
119.03490	8.3
119.04896	0.6
127.07634	1.0
131.03458	1.1
131.07129	20.2
132.07446	0.7
135.04503	0.4
143.03484	1.5
149.04535	1.0
161.02441	0.5
161.04538	1.6
163.03989	0.5
164.53413	0.3
173.08151	0.6
179.05609	7.2
191.05635	1.6
213.01491	0.2
216.69489	0.3
219.41148	0.2
221.38490	0.3
293.12402	100.0
294.12717	7.2
431.15475	4.1
432.15790	0.8
522.99219	0.3
533.22888	0.4
614.70886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72976	1.0
58.00589	1.6
59.01376	78.6
61.98819	3.0
69.29383	10.7
71.01379	44.8
72.99282	1.6
73.02946	3.5
83.01364	2.7
85.02936	9.2
87.00876	2.5
89.02441	39.2
90.02795	1.5
95.01390	3.3
97.19685	1.1
99.04516	2.9
101.02441	26.4
102.77352	1.2
111.00903	1.5
113.02440	16.1
119.03496	15.5
119.35707	1.0
127.61740	1.2
131.03471	2.6
133.02977	2.4
133.05083	1.4
133.06596	1.3
135.04500	3.6
136.01653	2.3
136.88814	1.2
143.03453	3.1
149.06104	1.2
151.04008	3.4
151.06117	20.8
161.02446	6.3
161.04503	2.4
161.13333	13.7
175.06044	1.6
179.03378	1.7
179.05659	6.7
185.13405	1.5
187.11282	22.3
188.11554	1.5
205.12315	12.4
206.12645	2.1
219.13808	1.5
229.12439	1.9
231.10330	2.4
249.11307	4.1
291.12366	1.9
295.10391	3.5
313.11383	24.4
357.13431	8.5
501.23383	2.6
503.33676	2.4
504.34155	1.6
545.22345	97.3
546.22675	15.0
686.29620	1.4
725.28754	100.0
726.28979	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	725.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29406	0.2
54.01488	0.3
59.01376	2.2
59.72638	0.2
67.01871	0.4
69.59744	0.2
70.95000	0.2
71.01360	1.1
81.03454	0.4
83.05034	0.3
85.02937	5.7
87.00862	1.5
89.02448	0.5
93.03440	3.2
96.95984	0.5
97.25516	0.2
98.20668	0.7
99.04510	0.8
101.02446	0.5
109.02920	0.5
111.04507	1.0
113.02456	0.4
119.05003	1.2
127.03997	1.6
127.86524	0.2
133.50171	0.2
134.75728	0.3
135.04451	0.3
139.04044	0.5
145.02945	0.6
161.02417	0.7
162.97758	0.2
163.04012	1.4
171.02974	0.5
173.04517	1.4
179.03452	0.3
179.05647	0.3
191.05592	100.0
192.05919	4.7
193.06181	0.4
194.67819	0.2
229.60619	0.2
296.05045	0.3
319.14093	0.4
337.09256	26.5
338.09552	2.6
367.66238	0.3
539.95117	0.2
585.37964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.2
61.98829	3.5
69.03465	2.4
70.97259	0.4
71.01381	2.6
71.05017	0.9
71.51839	0.8
73.02950	0.4
85.02946	0.8
85.06608	0.6
89.02422	1.4
95.04976	0.6
101.02440	2.5
108.05828	0.6
109.06567	0.7
111.08114	0.5
113.02439	1.5
116.92847	2.1
125.09786	0.6
161.04601	0.9
161.13445	0.5
167.10754	2.9
169.12347	1.0
179.05530	0.9
179.10748	1.5
179.14392	4.4
195.13893	10.2
196.14185	1.0
197.11821	10.3
198.12053	0.6
200.13405	0.5
205.12329	8.9
206.12796	0.8
211.13268	0.8
223.13371	100.0
224.13684	6.9
235.08228	3.0
243.98755	0.4
253.09248	5.5
291.19681	1.5
309.20691	3.6
411.25372	1.1
429.26358	1.5
441.21216	2.1
459.22321	18.0
460.22922	3.1
595.31512	0.6
621.33038	0.8
647.34540	2.8
648.34644	0.7
665.35541	4.0
666.35510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
58.00603	0.5
59.01376	37.2
60.01723	0.3
61.98816	0.8
69.03459	0.4
71.01377	9.4
71.05025	0.4
71.61256	0.3
73.02937	1.3
83.01383	10.5
85.02945	2.3
89.02438	9.8
93.03446	0.4
95.01399	0.5
97.02934	0.7
98.20610	1.2
99.00819	0.5
101.02420	2.7
101.70604	0.3
113.02433	2.9
118.98059	0.4
119.03477	1.0
121.02953	1.9
123.00880	0.4
125.02433	4.2
131.03479	2.5
133.02930	0.6
135.04514	0.5
136.05309	2.7
143.03392	0.3
149.04535	3.9
152.96521	0.3
161.02446	0.9
168.04294	1.1
179.03458	0.6
181.28171	0.3
191.05611	1.5
229.40349	0.4
233.06682	0.8
249.11353	0.4
292.03107	0.3
293.08783	7.4
294.09177	0.5
333.37097	0.4
356.12628	0.9
371.14948	6.6
372.15274	1.0
409.30804	0.6
421.31192	0.7
423.29019	0.4
435.29071	0.4
443.31699	0.9
453.30130	2.4
454.30331	0.4
478.25742	0.4
485.32730	6.5
486.33157	0.7
503.33740	100.0
504.34125	17.2
545.35040	0.8
621.35364	0.5
665.38531	2.8
666.38690	0.5
683.38306	0.4
725.29486	0.6
725.40936	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
60.64997	0.1
65.40028	0.2
67.01887	0.3
69.03439	0.3
69.68834	0.2
71.01385	1.0
71.51290	0.2
78.95894	0.6
79.95699	0.2
81.03449	0.3
83.05034	0.2
85.02941	5.7
86.03280	0.2
87.00869	1.4
93.03463	2.1
96.96008	10.4
96.96986	0.4
97.02950	0.3
99.04527	0.3
100.76534	0.2
108.02221	0.2
109.02938	0.5
111.04488	1.0
113.02378	0.2
119.04996	0.3
120.91786	0.2
124.01722	0.2
125.02434	0.7
127.04022	1.3
131.42874	0.2
133.02974	0.6
135.04538	0.9
161.02414	1.6
163.03967	0.3
171.03011	0.3
173.04532	1.1
179.03455	0.9
191.05597	100.0
192.05959	3.8
262.31503	0.2
267.66086	0.2
292.05753	0.2
353.08719	16.1
354.09131	1.5
405.53357	0.2
420.34964	0.2
555.23950	0.2
728.14966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03428	4.1
59.01375	66.5
65.03945	5.4
67.01871	3.7
67.75786	1.1
68.99785	2.5
69.03455	9.8
69.03788	1.9
71.01370	22.3
72.99309	3.2
73.02939	13.8
79.01891	1.4
81.03439	6.3
83.01383	5.9
83.05013	2.0
83.81813	1.1
85.02943	67.4
86.03264	1.4
87.00871	100.0
88.82048	1.3
89.02425	1.8
93.03451	17.4
95.01382	19.5
95.58405	1.3
96.95996	18.4
97.02955	26.3
99.00873	3.5
99.04505	5.0
101.02449	5.8
103.04006	8.7
109.02941	7.6
111.00874	8.9
111.04488	2.6
113.01716	1.7
113.02437	20.2
115.00373	11.2
115.04003	2.6
119.04965	3.6
121.06553	1.2
125.02419	3.2
127.04005	14.9
129.01851	2.4
135.04489	1.4
137.02448	3.4
139.00362	14.2
139.03989	6.3
141.01988	1.3
145.05052	7.1
154.23877	1.3
155.03514	2.8
157.01393	9.7
161.04555	1.2
163.03990	4.3
165.05513	1.8
169.04999	2.4
171.02960	1.6
173.04526	5.9
175.02467	49.7
176.02829	2.0
181.01419	3.1
183.06520	4.0
191.05595	55.2
192.05887	1.6
199.02469	35.7
209.04347	1.2
217.03523	15.8
218.03752	1.4
218.36797	1.2
229.52132	1.9
241.03462	2.1
247.58725	1.3
248.20844	1.2
251.11299	4.6
285.06100	2.0
293.12289	3.8
301.05576	2.2
303.07190	16.0
304.07626	1.5
321.08255	6.6
337.09271	15.1
337.15253	1.8
341.89438	1.4
345.08139	8.8
345.11935	2.9
387.09183	15.1
389.10873	11.4
405.10315	8.1
414.39401	1.4
563.12201	2.8
577.63037	1.4
623.14661	7.3
685.18317	2.5
708.93286	1.4
709.18195	17.3
710.18103	3.0
727.19165	26.1
728.19800	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	727.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.2
61.98815	1.7
69.38293	4.8
71.01365	0.8
83.01379	7.1
84.76340	0.5
93.03465	1.0
109.02952	0.6
116.92859	0.8
120.29636	0.5
121.02953	10.6
123.00871	1.2
123.04551	0.6
134.03703	0.6
136.01656	6.8
136.04335	0.9
136.05292	8.4
137.02426	1.6
151.04012	3.5
160.05225	0.8
161.02415	1.2
168.04289	2.1
204.04297	0.7
219.06537	1.0
227.03558	0.9
228.04164	0.9
229.04999	0.8
241.04994	1.9
242.05731	1.2
243.06598	0.9
254.05821	0.8
255.06554	2.9
256.07236	1.0
257.08203	1.6
269.08035	1.0
270.08936	1.5
271.06165	0.9
271.09692	0.7
281.08307	0.7
285.07690	0.9
302.07916	2.2
316.09653	0.9
348.43488	0.6
461.11316	0.6
462.12817	1.1
475.13605	0.8
476.14993	1.6
477.15457	5.9
478.16315	1.3
489.15479	1.5
491.17075	2.4
492.17557	0.9
507.16010	0.8
517.18323	2.1
561.17303	1.6
712.25415	1.0
727.27539	100.0
728.27850	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.8
61.98598	0.7
61.98832	8.3
69.97071	2.6
69.97472	1.3
71.01392	3.6
72.99296	0.8
73.02924	0.8
75.00844	0.9
81.78960	0.8
82.43270	0.6
83.01391	11.3
85.02932	1.3
89.02442	2.5
93.03458	1.1
101.02430	2.6
109.02918	2.2
111.82137	0.7
112.18875	0.6
113.02437	1.9
121.02953	14.1
122.03709	2.2
123.00867	2.1
123.04482	1.0
133.02927	3.0
134.03596	0.8
135.04536	3.5
136.01685	1.7
136.05309	10.2
137.02406	4.3
137.05743	0.8
138.03168	1.0
141.27481	0.8
142.07191	0.7
147.04474	1.8
149.02406	1.3
151.03934	1.7
159.04463	1.5
160.05257	1.1
161.02437	6.8
161.06113	0.9
168.04280	4.2
177.05539	1.0
179.03462	2.7
185.06050	1.6
189.05417	0.7
191.05563	1.1
193.29199	0.8
201.05502	0.9
203.03496	0.8
209.11786	3.1
211.13371	1.6
213.05453	2.1
215.07048	1.1
219.06619	0.9
225.11293	1.9
227.07097	0.8
228.81007	0.8
241.05005	2.7
243.06595	1.2
255.06569	3.3
269.08206	1.4
356.12521	1.3
357.13321	2.8
367.24835	1.0
448.15488	0.9
449.15927	1.7
462.12836	1.2
464.14615	1.1
475.13828	1.1
476.14456	1.6
477.15506	9.5
478.15707	2.4
479.16153	1.5
491.17184	4.1
523.32184	0.9
561.18134	1.2
573.19714	1.6
683.37677	1.3
695.23999	1.0
712.25354	1.5
727.27423	100.0
728.27832	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	727.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05431	0.5
55.01878	1.3
57.03444	1.6
58.00591	3.3
58.00848	0.5
59.01376	76.0
60.01709	0.5
61.98838	0.5
63.48080	0.4
71.01378	47.8
71.52641	0.8
72.99311	3.9
73.02954	2.3
79.05530	0.9
81.03448	0.9
83.01383	2.5
83.05021	0.9
84.02193	0.8
85.02942	9.8
87.00879	1.5
89.02439	36.9
90.02796	0.6
95.01380	3.6
95.05030	1.2
97.02956	0.9
99.00874	0.6
99.04514	3.0
101.02439	24.6
102.02754	0.6
105.07119	0.8
107.05021	2.9
107.08666	0.6
108.02169	53.8
109.02419	1.4
109.03004	1.6
111.04517	1.3
113.02448	17.4
113.06070	0.9
114.02747	0.5
119.03492	14.9
119.04340	0.8
120.03781	0.5
120.05769	1.1
121.06664	0.6
123.04508	2.0
131.03487	0.8
133.06587	0.5
134.03726	2.0
135.04515	18.4
136.04837	0.7
143.03505	1.5
146.52547	0.5
147.11781	2.0
149.04674	0.5
149.06036	0.6
151.07616	0.5
152.04773	0.8
153.05553	3.7
157.06613	1.7
159.02956	0.5
159.08145	0.8
159.11823	1.0
161.04549	1.8
161.09727	1.0
161.13347	10.0
169.10339	0.7
172.08974	0.9
175.11331	0.7
177.05542	0.6
179.05592	3.8
185.09688	1.4
185.13358	2.4
187.11263	31.8
188.11615	2.7
189.12912	0.5
201.12865	0.8
203.14362	2.5
205.12302	12.9
206.12712	0.8
208.38867	0.4
219.13918	2.6
229.12334	8.2
231.10278	2.2
240.04253	0.9
247.13371	5.2
249.11270	4.8
259.13315	0.7
271.06097	7.0
277.14417	0.8
291.12317	0.9
297.09753	1.8
307.15433	0.9
315.10846	21.2
316.11060	1.0
351.14462	0.8
411.16422	1.3
477.15283	0.5
503.22821	2.0
547.21802	100.0
548.22125	17.5
727.28156	72.4
728.28455	18.6
728.41760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13290	2.7
59.01379	41.1
61.98822	20.8
69.03465	5.6
71.01369	16.9
71.52335	3.6
73.02927	3.4
83.01378	26.9
83.05019	4.9
85.02964	7.8
89.02455	8.2
92.16557	2.9
93.03449	2.5
97.02956	10.4
99.00826	4.3
101.02429	14.5
109.06583	39.7
113.02470	5.2
116.92822	8.2
119.03490	3.4
121.02952	31.5
121.06567	3.6
123.00856	4.1
123.04535	4.1
135.08150	4.3
136.01649	6.1
136.05273	20.2
137.02431	4.4
137.05840	2.7
142.02675	2.9
143.22920	2.9
151.04008	5.0
161.02429	6.9
161.04521	4.6
161.09708	4.2
163.11302	25.6
164.11685	2.9
167.10732	6.5
168.04269	8.9
179.14410	4.4
181.12357	5.4
185.11826	2.9
189.09171	5.0
195.13902	11.5
201.11311	4.8
205.12309	8.6
207.08365	5.6
207.10254	100.0
208.10571	6.6
209.11919	3.0
213.98190	3.0
223.13374	88.0
224.13722	4.5
225.11322	51.8
226.11699	3.2
235.08147	6.3
253.09340	15.4
253.78537	3.0
260.10468	2.7
369.13812	3.1
385.24051	4.0
395.22153	10.0
403.24570	3.2
413.23114	20.0
414.23685	4.8
431.23984	5.5
443.19150	5.4
459.22382	4.3
461.20242	14.6
491.16782	3.7
543.16309	8.0
621.32959	5.1
631.31073	8.4
649.23151	2.3
649.32373	52.9
650.32788	12.2
667.33221	54.5
668.33600	11.5
727.27466	58.9
728.27795	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	727.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89318	0.6
55.56120	0.6
59.01375	33.5
61.98826	5.3
70.24449	1.6
70.24847	1.2
71.01365	3.2
73.02969	1.0
80.43771	0.7
85.02928	1.2
86.54405	0.7
87.00874	0.8
89.02427	4.1
89.11017	0.6
97.06570	0.9
101.02413	3.3
113.02429	1.8
119.03468	0.9
127.11276	2.3
133.02950	1.5
135.04483	1.0
151.11238	4.2
161.02434	3.1
161.04527	0.9
169.10857	1.5
169.12318	29.9
170.12700	1.7
171.10249	76.6
172.10600	3.9
179.03476	1.6
199.76308	0.7
213.11295	3.5
231.12386	3.5
232.12935	0.8
235.08344	1.0
247.03656	0.7
249.56277	0.7
253.09209	4.5
277.21671	27.1
278.22040	3.1
334.46231	0.7
353.18903	0.7
383.34930	0.7
407.19403	1.0
449.20218	1.1
467.21216	2.1
480.68439	2.6
709.41748	3.1
726.84479	2.7
727.42761	100.0
728.43011	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84991	0.3
53.81939	0.3
59.01374	18.7
60.71367	0.3
61.98834	0.7
63.96269	0.3
65.94518	0.3
70.51657	0.8
71.01375	2.2
73.02949	0.6
84.73612	0.3
85.02918	0.7
87.00874	0.6
89.02437	1.6
98.20068	0.4
101.02441	1.5
102.17255	0.3
113.02441	0.9
119.03524	0.3
119.74763	0.2
125.09692	0.7
127.11291	1.3
153.09221	0.3
159.72890	0.3
161.04562	0.9
171.10254	87.4
172.10594	4.4
190.56708	0.3
209.11821	1.2
210.12143	0.3
228.09334	0.3
235.08200	3.6
253.09264	6.8
254.09735	0.4
277.21689	100.0
278.22031	10.3
279.23224	0.8
280.23630	0.6
281.24838	1.3
287.22495	0.3
407.19241	1.3
513.30737	1.6
514.31268	0.5
528.44226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20374	0.1
55.64257	0.1
59.01379	2.4
59.16392	0.1
61.98830	100.0
62.98532	0.2
66.96143	0.1
68.16867	0.1
71.01385	0.7
71.33945	0.1
71.34280	0.2
73.02954	0.2
85.02959	0.2
94.73743	0.1
101.02444	0.3
113.02493	0.1
117.42832	0.1
120.14913	0.1
133.02948	0.2
135.04536	0.4
139.04063	0.1
145.02971	0.3
151.04094	0.1
152.94211	0.1
159.03065	0.1
161.02469	0.4
161.04546	0.1
179.03545	0.2
199.67189	0.1
209.11795	0.2
239.69450	0.1
246.01974	0.1
327.21841	0.3
554.91339	0.1
712.80457	0.2
756.43286	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	728.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21139	0.1
59.01372	0.7
59.46928	0.1
61.98825	100.0
62.98544	0.2
69.38235	0.8
71.01376	0.6
71.62157	0.1
73.02945	0.4
83.01378	0.2
85.02961	0.2
87.00889	0.1
89.02443	0.3
96.96031	0.1
97.07672	0.1
101.02444	0.3
108.02164	0.1
113.02455	0.3
117.03468	0.3
119.05045	0.2
123.04478	0.1
133.02957	0.2
135.04544	0.4
136.01677	0.4
145.02942	1.2
151.04047	0.5
161.02440	0.6
163.04059	0.3
209.11943	0.1
234.12041	0.1
250.97855	0.1
281.08273	0.2
307.08252	0.2
315.11069	0.1
341.10373	0.4
343.11749	0.2
355.12064	0.3
357.13763	0.1
371.11304	0.9
371.14835	0.1
372.78271	0.1
413.12625	0.3
429.72855	0.1
576.72522	0.1
665.22278	1.4
666.22888	0.2
720.28723	0.1
728.28540	0.2
729.26093	0.2
754.35522	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	728.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86626	0.2
53.17903	0.1
61.98827	100.0
62.98538	0.3
72.04906	0.1
87.79089	0.2
90.33583	0.1
90.85753	0.2
105.98908	0.2
116.92874	0.2
161.02446	0.2
182.75047	0.2
223.13411	0.2
288.54886	0.2
435.16113	0.2
551.72900	0.2
736.29791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.9
60.99303	21.4
61.98825	3.5
73.02925	1.5
75.00852	2.1
85.02940	2.0
87.00883	1.7
88.98801	91.0
89.02466	1.4
93.03452	2.9
101.02431	2.1
103.04034	0.9
109.02950	2.6
113.02468	1.1
116.48886	0.7
119.05013	2.4
121.02966	0.9
123.04523	6.5
128.57515	0.6
132.02182	1.6
133.02951	29.8
135.04517	25.2
136.04906	1.1
137.02371	1.0
139.04012	1.3
149.02428	1.3
149.06075	1.4
150.03239	6.2
151.04001	16.4
161.02429	100.0
162.02747	5.5
163.04025	1.4
175.04008	1.5
177.05557	2.7
179.03485	23.9
179.05588	7.1
179.07048	1.0
180.03827	0.8
183.06752	0.7
187.16531	0.8
191.05597	19.5
192.05898	1.9
203.03534	7.6
221.04588	1.9
233.04431	0.9
264.82602	0.7
325.09293	0.9
328.30484	0.8
337.09235	3.4
459.14926	1.0
487.14581	4.4
529.15613	3.3
621.18207	19.9
622.18170	4.5
639.19244	88.5
640.19617	18.7
640.29755	1.3
713.13739	0.8
729.22662	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01121	1.9
59.01373	13.2
61.98827	87.8
71.01370	9.4
71.52086	1.9
85.02952	3.9
87.00880	2.2
88.98767	1.8
89.02439	4.3
101.02419	7.6
108.02170	100.0
109.02459	3.5
113.02448	3.5
119.04996	2.3
121.02975	1.8
123.04517	8.3
134.03734	3.6
135.04517	9.9
139.04094	1.7
145.02982	2.7
147.04520	4.4
153.05565	4.1
161.02377	2.0
173.02397	2.5
174.03195	7.5
191.03523	3.9
202.02618	1.9
237.05429	2.6
252.07932	1.7
262.06140	2.5
263.07236	2.4
264.07843	2.9
265.04971	3.8
267.06653	6.9
268.07193	1.8
272.82919	1.8
277.04941	3.5
278.05688	2.0
279.06613	6.8
279.10104	3.6
280.07101	2.8
281.07816	1.9
282.08966	4.5
293.04520	4.5
293.08191	2.3
294.08969	10.8
295.09592	2.3
300.57468	1.6
305.04419	3.6
307.05832	2.0
308.06934	8.3
309.07611	4.5
309.11163	2.6
320.06985	3.8
321.07617	2.8
323.05743	3.3
323.09174	16.8
324.09714	2.7
335.09171	4.0
338.07898	7.0
339.08630	2.2
339.12433	3.0
341.10303	4.5
351.12384	2.4
353.10269	78.7
354.10583	11.5
364.09604	2.2
367.11826	4.0
380.08975	6.2
383.11292	2.1
395.11307	42.5
396.11502	5.6
407.32913	1.8
425.12140	5.1
455.13107	7.8
615.99872	1.9
625.36072	1.8
639.20819	32.6
640.20752	5.1
651.20801	41.4
652.20770	8.8
669.22034	19.2
670.22296	5.7
671.05316	1.8
716.43994	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03440	0.8
58.00602	2.0
59.01376	46.1
60.01738	0.7
63.23673	0.6
63.39174	0.6
69.03493	0.6
69.54900	4.3
71.01378	28.0
72.99319	2.4
73.02977	2.6
83.01408	2.3
85.02945	5.7
89.02443	16.0
95.01430	2.2
95.05043	1.0
99.00897	0.9
99.04510	10.8
101.02443	11.8
107.05063	1.0
107.08677	0.9
108.02168	36.4
113.02439	7.7
113.06123	0.7
119.03517	5.3
121.06622	1.1
134.03696	1.0
135.04520	6.7
143.03543	0.8
153.05588	2.0
163.14897	1.3
179.05637	0.9
189.12842	5.6
204.94594	0.6
207.13881	16.2
208.14371	1.4
209.40224	0.6
221.15459	3.0
231.13948	3.5
233.11763	1.5
249.14903	2.0
251.12859	18.5
265.14508	1.2
275.12863	2.3
293.13870	3.2
315.10739	0.9
353.16125	2.2
357.99057	0.7
398.28983	0.7
413.18298	1.1
549.23395	100.0
550.23706	17.7
729.29688	72.0
730.29974	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	729.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03440	0.8
58.00602	2.0
59.01376	46.1
60.01738	0.7
63.23673	0.6
63.39174	0.6
69.03493	0.6
69.54900	4.3
71.01378	28.0
72.99319	2.4
73.02977	2.6
83.01408	2.3
85.02945	5.7
89.02443	16.0
95.01430	2.2
95.05043	1.0
99.00897	0.9
99.04510	10.8
101.02443	11.8
107.05063	1.0
107.08677	0.9
108.02168	36.4
113.02439	7.7
113.06123	0.7
119.03517	5.3
121.06622	1.1
134.03696	1.0
135.04520	6.7
143.03543	0.8
153.05588	2.0
163.14897	1.3
179.05637	0.9
189.12842	5.6
204.94594	0.6
207.13881	16.2
208.14371	1.4
209.40224	0.6
221.15459	3.0
231.13948	3.5
233.11763	1.5
249.14903	2.0
251.12859	18.5
265.14508	1.2
275.12863	2.3
293.13870	3.2
315.10739	0.9
353.16125	2.2
357.99057	0.7
398.28983	0.7
413.18298	1.1
549.23395	100.0
550.23706	17.7
729.29688	72.0
730.29974	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	729.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.7
61.98831	14.8
69.03423	1.5
71.01382	6.0
71.05023	1.8
71.52104	1.3
81.55592	1.4
82.76426	1.2
83.05022	5.6
85.02927	3.0
87.00858	2.9
89.02428	2.8
96.96003	1.8
101.02466	6.3
113.02414	1.4
116.92874	4.2
132.02176	1.3
133.02899	2.5
160.26227	1.7
161.02470	8.8
161.04517	2.8
162.02821	1.8
163.11238	2.9
167.10724	2.4
179.03467	2.5
179.05481	1.4
179.10768	2.5
179.14407	2.9
190.82159	1.3
195.13879	9.4
197.11842	1.9
201.11266	9.9
205.12292	8.3
209.11813	79.6
210.12119	6.3
223.13367	100.0
224.13770	8.4
227.12914	14.7
235.08173	4.5
253.09267	13.2
309.20645	3.0
459.22336	17.1
651.33398	2.0
660.92010	1.8
729.27759	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	730.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
61.98826	100.0
62.98531	0.3
65.03964	0.2
71.01385	0.4
73.02930	0.1
83.01380	0.4
85.02987	0.1
89.02462	0.2
96.38129	0.1
98.19868	0.3
101.02439	0.2
113.02445	0.3
116.37612	0.1
119.03391	0.1
121.02959	0.3
133.02963	0.5
135.04532	0.5
137.06084	0.2
139.04047	0.4
151.04031	0.2
161.02423	1.4
162.02861	0.2
165.05594	0.2
179.03606	0.4
209.04495	0.1
209.11835	0.3
297.08456	0.1
323.07547	0.2
337.09470	0.2
383.69330	0.1
481.32407	0.1
647.36969	0.1
669.40497	0.1
695.23474	1.0
730.37994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.57006	0.2
61.98827	100.0
62.98528	0.2
65.19987	0.2
66.71389	0.1
71.51848	0.2
78.00475	0.2
85.02988	0.2
88.98801	0.3
139.55904	0.2
147.73735	0.2
161.02417	0.2
162.28706	0.2
223.75705	0.2
286.35028	0.2
385.56863	0.2
434.84909	0.2
607.19110	0.2
678.18799	0.2
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
51.45982	0.1
61.21194	0.1
61.98827	100.0
62.98552	0.2
62.99261	0.1
91.87607	0.1
98.19756	0.2
100.85987	0.1
162.85553	0.1
166.61447	0.1
171.10347	0.1
218.21678	0.1
221.77977	0.1
289.42255	0.1
491.50562	0.1
731.37158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98523	0.2
71.51007	0.2
71.51365	0.1
80.96529	0.2
89.22919	0.1
107.03411	0.1
112.90114	0.1
122.93492	0.1
171.10246	0.3
176.11186	0.2
243.01495	0.1
277.21771	0.2
278.22113	0.2
283.60507	0.1
437.91357	0.1
616.14374	0.1
731.36530	0.1
745.82147	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	731.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.4
67.01866	0.2
69.37084	0.5
69.37489	0.6
71.01376	1.1
73.02940	0.2
83.01369	0.2
83.04993	0.2
85.02938	5.3
86.03296	0.2
87.00871	1.3
89.02431	0.2
93.03455	2.4
93.17068	0.1
96.95987	0.3
98.20692	0.3
99.00835	0.2
101.02435	0.3
109.02950	0.5
111.04504	0.7
113.02429	0.3
119.05030	0.2
127.03999	1.4
129.01959	0.2
133.02946	0.6
135.04512	1.5
161.02449	1.6
161.04541	0.2
162.70380	0.1
163.04021	0.2
171.03009	0.3
173.04512	0.9
179.03494	0.8
179.69293	0.2
191.05594	100.0
192.04298	0.3
192.05945	3.9
333.11893	1.1
341.08609	0.3
352.85641	0.1
353.08728	17.1
354.09024	1.8
377.06464	0.2
377.14456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.6
60.99304	18.6
61.98814	2.7
71.01380	1.2
71.14719	1.8
73.81485	0.9
87.00883	5.0
88.98800	100.0
89.02439	27.5
89.99091	1.3
94.50806	0.7
96.54579	0.7
105.38911	0.7
195.80151	0.8
432.53790	1.0
438.13348	1.5
467.13715	2.5
481.15140	15.0
482.15659	7.6
483.16113	0.8
495.16559	1.6
496.17175	1.0
497.18307	4.0
498.18988	1.3
514.15063	6.8
515.15100	1.8
528.16577	1.4
540.16510	3.5
555.18823	43.0
556.19067	11.4
572.15356	7.8
573.15503	1.5
598.20447	1.1
604.64929	0.8
641.22577	2.1
659.23608	27.3
660.23969	9.5
671.23218	1.2
730.43170	1.1
731.25647	12.4
732.25916	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	731.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.5
57.03451	0.7
58.00577	0.4
59.01379	10.0
62.12587	0.3
63.49207	0.3
65.03962	20.3
66.04293	0.7
68.99812	0.9
69.03458	4.8
71.01381	9.4
71.41979	0.5
71.42329	0.4
73.02934	2.0
83.01379	1.5
85.02949	3.7
87.00871	0.7
89.02445	4.9
93.03453	2.9
95.01371	0.8
95.05030	2.4
99.00877	1.5
101.02441	6.5
103.05527	0.7
106.04238	0.8
107.04986	0.5
111.00858	1.5
113.02449	4.1
118.71804	0.4
119.03493	1.4
119.05028	2.3
121.02983	0.5
121.06595	14.3
122.06946	0.5
129.24501	0.4
129.43565	0.3
133.19077	0.3
137.05994	0.5
139.04016	31.3
139.07622	0.6
140.04356	1.3
141.01935	3.1
147.04544	0.6
159.03044	0.5
161.04527	0.7
163.07669	0.9
165.05565	18.9
166.05890	1.0
179.05551	0.7
183.06624	20.4
184.07013	0.6
207.06543	0.6
209.04546	6.0
209.71631	0.3
225.07634	0.5
227.05652	1.6
229.82166	0.3
253.75882	0.3
269.06732	0.7
329.08737	0.4
341.11191	0.5
345.11877	17.8
346.12091	1.5
389.10876	100.0
390.11182	9.2
426.77295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01707	1.1
61.98832	0.5
71.51503	0.3
81.66530	0.3
98.20052	0.3
101.14989	0.3
104.04302	0.3
105.51821	0.3
127.75195	0.3
136.89171	0.7
182.18991	0.3
319.83774	0.3
407.15823	0.3
453.11859	0.5
473.18216	0.4
479.13696	0.6
480.14227	1.0
481.15756	0.5
493.14548	0.4
494.15790	0.6
495.12231	0.7
496.13684	3.1
497.14310	1.0
509.14355	0.4
510.15024	1.6
511.15887	1.6
512.16382	0.5
521.14819	0.9
527.19421	0.5
538.15082	0.6
539.15674	4.8
540.15973	1.9
545.51581	0.3
553.17236	7.0
554.17651	1.6
583.18414	0.8
584.18933	0.7
585.19946	2.2
586.19366	0.4
597.19940	2.6
598.20624	8.8
599.21161	2.7
613.23120	0.5
616.17841	1.6
630.19684	6.3
631.20081	1.7
639.20453	0.5
657.22266	0.8
671.12006	0.7
671.23553	14.2
672.23706	3.9
731.25671	82.9
732.25885	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	731.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01740	0.9
61.98817	1.5
69.79006	0.5
95.35608	0.5
129.73515	0.5
171.63194	0.5
181.94800	0.5
198.71835	0.5
223.72058	0.5
229.00800	0.7
391.95013	0.6
467.13693	0.6
480.14511	0.7
481.14828	1.0
494.15622	0.8
495.16782	0.7
496.13904	2.2
497.13608	0.8
509.15176	0.6
510.15219	2.2
511.16351	0.9
521.14844	1.6
538.14978	0.6
539.15814	4.6
540.15826	1.4
553.17310	7.0
554.17914	2.5
555.18829	0.6
583.17828	0.7
584.19043	1.3
585.19788	5.5
586.19684	1.1
597.19830	2.7
598.20734	7.2
599.20569	2.2
616.18018	2.0
625.19611	0.7
630.19623	4.2
631.19690	0.8
657.22180	1.4
671.23523	15.8
672.23566	4.1
731.25647	94.3
732.25897	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	731.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
57.03436	1.4
58.00585	1.3
59.01376	50.4
65.93356	1.3
69.72309	5.6
71.01375	35.5
72.99301	2.7
73.02943	3.6
77.46991	1.2
83.01341	1.1
85.02955	7.9
87.00869	2.0
89.02438	20.1
95.01391	2.1
95.05007	1.2
99.04493	2.4
101.02430	18.4
107.04993	2.1
109.06603	1.3
111.04480	1.2
113.02446	15.2
119.03490	7.4
138.25467	1.3
157.06618	2.2
157.08682	7.9
159.02896	1.5
159.11807	2.2
161.04512	6.3
161.09692	1.6
161.13353	17.4
169.10234	2.2
172.08813	1.8
179.05598	2.2
187.11263	34.7
188.11584	3.0
205.12317	15.3
229.12341	3.1
231.10271	4.3
249.11313	4.4
319.13956	12.7
411.16196	1.7
447.31192	1.4
507.25836	4.6
551.24939	100.0
552.25287	15.1
591.40637	1.2
612.22443	1.3
623.15546	1.4
705.32916	1.2
731.31226	82.8
732.31488	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	731.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05951	0.9
57.03428	2.0
59.01374	13.5
60.98046	0.8
61.98826	29.2
65.03957	46.1
65.13532	1.0
66.04282	1.2
67.07217	1.0
68.99813	3.2
69.03449	10.0
69.29708	7.5
71.01383	10.4
73.02937	2.3
80.91671	8.0
81.03448	1.1
83.01375	3.3
85.02945	3.3
87.00857	2.1
87.69629	1.0
89.02441	4.2
91.05505	1.2
92.60107	0.8
93.03434	8.2
95.01397	1.0
95.05022	3.1
99.00874	3.7
100.04405	1.0
101.02422	6.9
103.05534	2.1
105.03489	0.9
106.04199	1.6
108.05506	0.9
111.00872	1.9
113.02441	6.0
117.03418	1.3
119.03526	1.8
119.05003	4.5
121.02924	2.5
121.06586	25.2
122.06883	1.2
123.04517	0.9
133.02945	2.6
135.04538	5.1
137.06070	1.5
139.04001	71.5
139.07622	1.2
140.04332	2.7
142.25053	0.9
147.04544	1.3
149.02452	0.9
151.07642	2.2
153.05475	0.9
161.02431	7.3
161.04501	1.1
165.05556	24.7
166.05878	1.2
177.42552	0.8
179.03510	7.8
179.05647	0.9
183.06616	14.4
184.06918	1.0
205.05095	0.9
207.10225	1.3
209.04529	37.3
209.11847	1.7
210.04805	2.0
227.05524	3.3
311.25677	1.4
312.46094	0.9
313.23740	4.6
327.10751	2.0
327.25424	0.9
341.26987	5.3
343.80646	1.0
357.13126	1.2
357.26385	1.1
359.27969	50.3
360.28497	5.4
371.14877	2.7
373.29465	6.8
407.14963	1.1
460.45825	1.0
627.33704	2.1
645.34351	1.3
669.25470	1.6
687.39471	12.1
688.40137	1.9
701.25861	1.2
731.38568	100.0
732.38867	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	732.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13292	0.1
59.01373	0.4
59.68964	0.1
61.98825	100.0
71.43367	0.1
71.43719	0.1
100.84370	0.1
133.02994	0.2
161.02464	0.3
161.40500	0.1
171.85246	0.1
177.71425	0.1
179.03511	0.1
180.51770	0.1
263.50681	0.1
458.97107	0.1
472.80597	0.1
495.06061	0.1
527.32513	0.3
555.51434	0.1
572.19244	0.2
659.99847	0.1
669.25995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68410	0.1
51.76753	0.1
55.46510	0.1
56.68142	0.1
59.01375	0.3
61.98824	100.0
62.98534	0.2
64.33025	0.1
69.18224	0.3
69.18639	0.9
82.92527	0.1
113.02462	0.1
133.02922	0.4
135.04523	0.4
153.59727	0.1
161.02423	1.0
179.03476	0.5
202.06555	0.1
203.03526	0.3
209.11832	0.3
220.17549	0.1
341.08896	0.5
455.38449	0.1
572.19171	0.5
587.21136	0.2
641.23059	0.3
669.25079	0.5
673.25592	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74151	0.7
56.48010	0.6
59.01374	8.0
61.98823	1.4
70.52804	2.1
71.01380	1.6
75.00855	1.5
78.91880	5.4
86.53206	0.7
89.02437	0.9
89.83227	0.6
113.02430	0.9
133.02948	2.4
135.04500	2.1
161.02422	7.8
179.03403	1.7
202.06226	0.7
234.58360	0.7
283.13248	0.8
407.15070	1.8
416.15649	2.2
427.13940	1.0
438.09808	1.6
439.14346	1.0
441.16086	1.1
442.16333	3.1
445.14407	0.7
453.11960	2.2
454.08966	1.1
455.17294	8.6
456.17526	1.9
457.18765	14.7
458.19354	3.2
459.17142	0.8
468.10394	0.7
469.11365	3.3
470.16013	1.7
473.18295	11.4
474.15723	4.5
481.11005	1.0
482.12146	1.2
483.12833	0.9
485.18393	5.9
486.18756	1.2
495.12787	0.8
496.13699	9.2
497.14954	4.0
502.14832	2.1
510.15588	1.8
511.16003	11.5
512.13184	20.6
513.13684	6.8
513.20526	1.3
515.19312	1.3
526.15021	13.4
527.15442	15.6
528.16217	4.9
529.17151	2.0
539.18622	1.0
555.17926	1.7
560.15430	2.2
583.18262	9.9
584.19073	3.1
597.19653	5.0
598.20325	1.3
599.21606	8.2
600.21387	2.2
614.20111	100.0
615.20642	48.0
616.21381	5.9
629.22437	1.9
630.22516	1.2
645.21765	1.9
646.19177	15.2
647.19135	3.7
651.54120	0.8
673.21680	6.2
674.21411	2.6
733.23474	4.4
733.34589	1.0
733.84381	1.1
734.23694	1.3
734.34558	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	733.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	3.0
61.33512	0.6
61.98826	100.0
62.98534	1.0
63.99272	0.8
71.01382	2.5
71.52411	0.7
72.48248	0.6
83.01409	0.6
85.02966	1.4
87.00887	0.6
89.46445	0.6
101.02454	1.2
106.29568	0.5
108.02193	1.0
110.64222	0.6
111.06062	0.9
113.02483	1.3
123.04533	2.5
133.02945	1.4
135.04497	1.2
139.04013	0.7
145.03050	0.7
147.04503	0.6
157.08698	0.9
159.04503	0.6
161.02461	2.5
161.06157	0.8
173.02434	0.8
174.03226	3.2
174.91322	0.6
175.03876	0.6
186.19914	0.7
202.02699	1.3
217.05072	1.2
223.07761	1.0
233.05946	1.0
237.05650	1.1
238.06227	0.7
249.05563	2.7
250.06392	0.9
251.07147	2.1
261.05600	0.7
262.06223	0.7
263.07230	1.4
264.07980	1.6
265.05246	1.0
267.06668	2.7
277.05081	3.6
277.08206	0.8
279.06641	4.4
279.10187	1.7
280.07370	1.1
282.09042	1.2
289.05124	1.9
292.07300	0.7
293.04596	2.2
293.07828	0.8
294.08951	6.7
295.06232	1.0
303.06601	1.2
304.07306	1.3
305.04449	3.8
306.05359	0.7
308.06946	3.3
309.07608	1.7
309.11301	1.0
320.06870	5.5
321.07660	1.3
322.08289	0.8
323.05579	1.6
323.09171	10.0
323.12747	0.9
324.09692	0.8
335.09070	3.5
338.08023	3.8
341.10388	1.8
353.10263	15.5
353.14386	1.2
354.10593	1.9
383.28186	0.7
625.19330	1.6
640.21832	1.7
643.23907	14.5
644.24493	2.2
655.23871	46.5
656.24097	8.3
673.24884	15.5
674.25531	2.5
719.53925	0.7
733.30695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03448	2.0
58.00600	0.7
59.01376	100.0
60.01722	1.2
60.78686	0.6
61.98825	65.3
67.89390	0.6
68.99574	1.9
69.03462	1.8
69.25732	0.7
69.60693	4.2
71.01379	47.4
72.99316	2.2
73.02945	18.9
75.00883	1.0
83.01394	10.3
84.01753	0.9
85.02945	15.7
87.00867	3.6
88.02998	0.8
88.04047	1.2
88.98807	1.2
89.02438	20.3
93.03466	1.7
95.01386	4.9
95.05048	0.7
96.96024	1.3
97.03000	1.6
98.19934	0.8
99.00890	2.8
101.02435	26.9
102.02796	1.3
109.02939	5.6
113.02441	35.1
114.02798	0.8
119.03491	9.4
121.02942	2.6
122.03722	1.1
123.04504	1.1
125.02441	4.3
127.04058	0.7
131.03542	2.8
133.02982	2.3
134.03699	1.7
135.04515	2.8
136.01691	1.0
136.05321	1.6
137.02463	2.3
143.03482	6.6
145.02931	1.1
146.08240	3.0
149.02455	2.6
149.04555	2.1
149.06105	0.9
150.03239	8.4
151.03941	0.8
151.07732	0.9
152.01100	0.9
153.01942	6.8
154.02296	2.7
155.03535	0.8
161.02484	4.9
161.04532	11.2
163.04117	0.9
164.04791	0.9
165.01942	3.9
165.05527	5.8
167.03525	1.3
168.04124	0.6
175.03990	0.8
179.03517	2.7
179.05589	5.1
193.05098	0.9
195.06631	2.9
203.03729	0.8
203.05640	2.1
218.10294	1.0
221.06610	1.5
238.88724	0.7
240.04372	0.9
297.06213	1.9
298.06622	1.1
310.08423	0.7
343.11911	2.0
348.70612	0.7
359.14413	0.8
371.14960	3.2
372.15524	1.0
381.22940	0.9
399.23904	0.8
441.63049	0.9
477.19583	1.0
484.32321	0.8
507.26447	1.3
519.20337	1.6
525.27045	10.5
526.28094	1.3
543.28070	36.2
544.28381	7.1
561.29095	10.0
562.29749	1.7
585.29193	7.4
586.29602	1.1
603.30029	8.9
603.37744	0.8
604.30646	1.6
625.24353	1.7
636.17322	1.9
637.24860	1.2
655.26031	1.5
667.25891	2.0
670.22083	13.5
671.22699	1.0
685.27100	1.6
686.27374	0.7
703.27667	2.0
715.27893	0.9
716.26996	0.8
733.24359	1.5
743.99854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03448	2.0
58.00600	0.7
59.01376	100.0
60.01722	1.2
60.78686	0.6
61.98825	65.3
67.89390	0.6
68.99574	1.9
69.03462	1.8
69.25732	0.7
69.60693	4.2
71.01379	47.4
72.99316	2.2
73.02945	18.9
75.00883	1.0
83.01394	10.3
84.01753	0.9
85.02945	15.7
87.00867	3.6
88.02998	0.8
88.04047	1.2
88.98807	1.2
89.02438	20.3
93.03466	1.7
95.01386	4.9
95.05048	0.7
96.96024	1.3
97.03000	1.6
98.19934	0.8
99.00890	2.8
101.02435	26.9
102.02796	1.3
109.02939	5.6
113.02441	35.1
114.02798	0.8
119.03491	9.4
121.02942	2.6
122.03722	1.1
123.04504	1.1
125.02441	4.3
127.04058	0.7
131.03542	2.8
133.02982	2.3
134.03699	1.7
135.04515	2.8
136.01691	1.0
136.05321	1.6
137.02463	2.3
143.03482	6.6
145.02931	1.1
146.08240	3.0
149.02455	2.6
149.04555	2.1
149.06105	0.9
150.03239	8.4
151.03941	0.8
151.07732	0.9
152.01100	0.9
153.01942	6.8
154.02296	2.7
155.03535	0.8
161.02484	4.9
161.04532	11.2
163.04117	0.9
164.04791	0.9
165.01942	3.9
165.05527	5.8
167.03525	1.3
168.04124	0.6
175.03990	0.8
179.03517	2.7
179.05589	5.1
193.05098	0.9
195.06631	2.9
203.03729	0.8
203.05640	2.1
218.10294	1.0
221.06610	1.5
238.88724	0.7
240.04372	0.9
297.06213	1.9
298.06622	1.1
310.08423	0.7
343.11911	2.0
348.70612	0.7
359.14413	0.8
371.14960	3.2
372.15524	1.0
381.22940	0.9
399.23904	0.8
441.63049	0.9
477.19583	1.0
484.32321	0.8
507.26447	1.3
519.20337	1.6
525.27045	10.5
526.28094	1.3
543.28070	36.2
544.28381	7.1
561.29095	10.0
562.29749	1.7
585.29193	7.4
586.29602	1.1
603.30029	8.9
603.37744	0.8
604.30646	1.6
625.24353	1.7
636.17322	1.9
637.24860	1.2
655.26031	1.5
667.25891	2.0
670.22083	13.5
671.22699	1.0
685.27100	1.6
686.27374	0.7
703.27667	2.0
715.27893	0.9
716.26996	0.8
733.24359	1.5
743.99854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
57.03440	2.9
58.00611	1.9
59.01374	69.0
61.98826	3.6
69.97417	5.1
71.01376	45.4
72.99306	3.6
73.02940	5.1
73.64645	1.4
83.01372	4.5
85.02943	13.5
87.00871	2.3
89.01929	2.5
89.02440	26.7
95.01370	3.5
95.60914	1.3
98.20603	2.1
99.00847	2.4
99.04509	13.9
101.01795	2.1
101.02432	26.3
108.02160	5.2
111.04529	1.8
113.01868	1.3
113.02457	15.7
114.02765	1.4
119.03487	11.0
123.04415	1.9
124.54971	1.3
133.02930	2.3
135.04500	5.7
143.03482	3.1
157.08614	7.0
161.02394	3.9
161.04538	4.9
163.14905	1.9
178.17860	1.3
179.03372	2.4
179.05656	1.9
187.11322	1.9
187.13379	11.3
189.12842	8.2
207.13913	15.8
219.26326	1.4
233.11778	3.3
251.12917	9.7
286.73758	1.4
315.10751	8.4
319.13968	2.0
331.17673	16.5
332.18179	1.4
349.18591	19.2
350.18985	2.2
373.18439	3.9
391.19672	15.7
392.20084	2.6
443.89954	1.5
509.15137	1.5
553.26477	100.0
554.26794	16.3
629.27924	4.6
640.94781	1.4
647.29321	3.9
661.88519	1.7
689.29590	1.6
733.32861	91.0
734.33124	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	733.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.5
59.01376	20.7
61.98811	1.0
65.03964	3.2
71.01380	13.6
71.52637	0.6
72.99300	1.7
73.02946	0.6
83.01399	0.9
85.02944	2.8
87.00896	1.0
88.98820	0.6
89.02437	10.7
93.03423	0.7
95.01398	1.1
95.05008	0.4
99.00842	0.4
101.02433	7.1
103.05542	1.1
113.02441	5.3
119.03503	5.7
119.04981	2.9
121.06575	1.6
123.04493	0.5
135.04507	0.8
137.02419	0.7
139.04005	6.7
143.03522	0.6
145.03006	0.6
147.04509	48.7
148.04829	2.7
150.03227	0.8
151.04047	0.5
161.02386	1.1
161.04558	0.7
165.05559	9.7
179.03499	0.5
179.05597	1.0
183.06613	8.2
183.08133	0.8
191.05565	0.9
193.05013	0.7
195.06618	0.6
273.04410	0.9
281.10336	0.5
290.47061	0.4
301.12360	1.0
327.10809	100.0
328.11157	8.7
334.68854	0.4
346.46396	0.4
411.07825	0.4
481.18665	1.8
517.15387	0.8
518.14960	0.5
549.25403	0.8
553.20941	2.0
554.20844	0.6
661.24500	1.2
733.26599	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71313	1.1
55.01875	1.6
55.06730	1.1
57.03450	2.2
58.00578	4.5
59.01377	61.3
61.98819	4.4
65.03958	4.5
65.88046	1.0
69.03441	1.4
69.32597	2.3
69.33015	7.6
69.67142	1.1
71.01381	44.7
71.08998	1.1
72.01746	1.2
72.99313	2.9
73.02949	8.6
82.95405	3.3
83.01391	5.3
85.02942	13.5
87.00860	1.7
89.02435	25.2
93.07108	1.3
95.01403	4.1
95.05026	3.3
99.00860	2.9
99.04517	3.3
101.02439	26.4
105.07088	1.1
107.05033	3.6
111.43320	1.1
113.02442	16.1
119.03497	7.2
120.05846	1.9
121.06612	3.3
125.02504	1.4
129.48413	1.2
133.02937	2.0
137.09694	2.0
139.04001	6.9
143.03482	1.6
155.10791	3.9
157.06549	1.9
157.08752	1.7
159.03014	2.1
159.10286	2.6
161.02446	2.8
161.04532	8.7
161.09760	2.3
161.13347	18.6
162.13625	1.2
163.03877	1.1
165.05571	4.2
165.09187	1.1
169.10213	2.4
172.08900	2.2
179.03442	1.9
179.05635	2.8
183.06589	1.8
185.09750	1.8
187.09596	2.2
187.11267	45.1
188.11589	2.8
199.09801	3.2
200.37193	1.1
205.12329	20.8
209.04681	1.3
231.10321	5.4
249.11240	5.8
255.06775	1.1
301.12912	1.2
319.13910	13.3
320.14539	1.5
321.15552	9.1
327.14468	4.3
345.15549	2.3
347.17007	1.8
387.16779	6.4
388.22113	1.2
411.16626	3.4
509.27863	4.4
553.26495	100.0
554.26764	17.2
571.20105	14.7
572.20447	2.0
715.24731	2.2
733.33093	69.6
734.33398	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	733.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79699	0.7
55.01520	0.8
55.01871	2.2
57.03444	1.6
58.00604	2.1
59.01378	51.4
61.40143	0.7
61.98829	2.0
71.01382	35.2
71.41348	0.7
72.01700	0.9
72.99322	2.5
73.02945	5.1
79.05570	0.9
81.03453	0.9
83.01386	3.4
85.02956	10.2
87.00877	4.6
89.02443	18.4
93.07053	1.2
95.01385	3.1
95.05022	1.9
99.00907	1.9
99.04533	2.5
101.02438	20.1
105.02054	0.9
107.05023	2.8
111.04520	1.1
113.02448	13.8
119.03499	6.7
120.05806	1.3
127.78560	0.7
128.91199	0.7
133.02946	1.8
133.06569	1.0
135.04561	1.4
139.04030	1.0
143.03522	1.0
157.06604	1.8
157.73701	0.8
159.10304	2.1
159.11746	1.1
161.02434	3.0
161.04543	6.4
161.09760	3.5
161.12010	1.2
161.13354	16.3
162.13683	0.8
169.10297	1.7
171.08179	0.8
172.08940	0.8
175.02478	0.8
179.05606	2.0
185.09738	1.6
187.11276	40.7
188.11592	2.0
205.12329	19.2
206.12657	1.1
229.12312	1.7
231.10281	4.9
249.11391	5.0
287.41595	0.8
319.13904	1.7
321.15543	7.9
322.15903	0.8
326.22821	0.8
411.16565	3.1
501.34836	0.9
503.52020	0.8
509.27182	4.3
553.26514	100.0
554.26868	16.5
733.32867	75.7
734.33301	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	733.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
57.03437	3.0
58.00580	2.4
59.01375	65.2
61.98829	9.5
65.03949	2.6
66.03950	1.0
69.54053	4.3
69.54465	2.0
71.01379	42.9
72.99294	3.8
73.02937	8.6
79.05553	1.4
83.01379	3.6
85.02953	11.9
87.00874	2.6
88.98817	0.9
89.01936	1.8
89.02441	21.8
95.01362	3.8
95.05016	3.5
99.00867	2.0
99.04501	2.9
101.02441	24.9
107.05039	3.0
113.02439	15.2
119.03507	8.1
121.06549	1.9
125.02418	1.6
133.02953	1.7
133.06667	1.6
135.04492	3.2
139.04019	2.1
142.09541	1.1
143.03517	2.5
149.04565	1.4
151.04048	1.2
157.06609	1.7
157.12357	1.3
159.03040	1.3
159.10162	1.7
161.02425	4.4
161.04527	8.1
161.09669	1.6
161.13348	13.1
169.10138	2.3
172.08919	1.4
179.05516	2.2
183.06612	1.4
187.09598	2.1
187.11276	35.5
188.11583	1.9
203.12805	2.0
205.12323	15.4
231.10172	3.9
243.79172	1.1
249.11331	3.4
269.68958	1.0
319.14035	2.1
321.12286	1.2
321.15421	7.0
411.16611	1.6
509.27292	3.1
553.26501	100.0
554.26825	17.4
571.19995	2.2
733.32904	89.6
734.33447	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	733.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11268	1.1
55.01880	2.5
58.00582	1.7
59.01376	70.4
61.98830	4.3
68.54214	1.2
69.46403	1.2
71.01378	43.2
71.52625	1.3
72.62177	1.1
72.99315	3.5
73.02938	5.0
78.99268	1.3
83.01402	4.5
85.02943	12.5
87.00886	1.6
89.02442	25.4
95.01398	2.7
99.00877	3.0
99.04524	10.7
101.02438	25.9
107.05025	2.1
108.02171	7.4
109.02969	1.3
111.04529	2.0
113.02451	15.9
119.03522	7.3
121.06599	1.4
128.89287	1.2
131.75244	1.3
131.76254	1.5
133.02904	1.9
133.37906	1.2
135.04529	8.0
143.03477	2.1
157.08676	6.1
161.02434	3.1
161.04588	3.8
169.08694	1.8
179.05632	1.5
187.11349	2.5
187.13397	13.4
189.12831	6.4
193.16692	1.5
193.34154	1.3
207.13875	15.4
208.14172	1.5
233.11887	1.9
251.12843	6.7
269.06100	1.3
297.09909	1.7
315.10910	11.2
319.14035	1.6
331.17554	20.4
332.17966	2.4
349.18677	24.0
350.19019	2.9
373.18613	3.9
388.49582	1.3
391.19675	21.5
392.19769	1.6
427.71045	1.4
467.22745	2.1
552.25409	2.2
553.26459	100.0
554.26843	18.3
629.28137	5.3
630.28662	2.0
647.29340	6.7
689.20044	1.8
689.30353	4.1
714.37274	1.7
733.32910	92.6
734.33319	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	733.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20146	0.3
51.78055	0.4
53.21164	0.3
58.53876	0.3
59.01366	0.4
61.98823	1.1
65.53291	0.3
69.90642	0.8
69.91031	0.6
75.18654	0.3
87.64880	0.3
91.87790	0.3
111.17696	0.3
112.79600	0.3
148.81474	0.3
211.85484	0.4
248.13339	0.3
277.21716	3.6
386.22812	0.3
407.32886	0.8
455.35266	100.0
456.35608	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	734.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
61.98827	100.0
62.98539	0.1
62.99233	0.1
69.67802	0.1
71.01405	0.1
101.02452	0.1
113.39533	0.1
133.02956	0.3
135.04529	0.2
161.02431	0.7
179.03426	0.1
192.54675	0.1
214.62727	0.1
223.13281	0.2
255.23273	0.2
280.90189	0.1
289.53949	0.1
293.21133	0.2
327.33075	0.1
407.15240	0.2
408.70309	0.1
416.15744	0.1
510.14453	0.1
543.93805	0.1
606.22113	0.1
615.22614	0.3
674.23615	0.2
734.23688	2.8
734.34387	0.3
734.84277	0.5
735.23993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51651	0.1
54.72053	0.1
59.01378	1.2
60.01698	0.1
61.98827	100.0
62.98535	0.2
62.99267	0.1
63.09262	0.1
69.09984	0.1
70.59557	0.3
72.37309	0.1
114.14097	0.1
135.04568	0.1
161.02420	0.4
179.03444	0.2
186.76616	0.1
251.36797	0.1
255.23260	0.1
271.56021	0.1
299.83926	0.1
604.01276	0.1
649.17456	0.1
671.23425	0.1
672.23053	0.1
674.23462	0.3
734.24133	3.7
734.84631	0.1
735.23468	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98827	100.0
62.98540	0.1
64.36650	0.1
64.57828	0.1
65.66405	0.1
71.01392	0.1
71.64003	0.1
80.72338	0.1
98.20781	0.2
101.02462	0.1
107.69949	0.1
108.94977	0.1
133.02977	0.2
135.04565	0.1
139.24797	0.1
148.09367	0.1
153.90692	0.1
161.02444	0.2
209.11865	0.2
211.13373	0.2
227.12837	0.1
302.60596	0.1
308.46066	0.1
350.84653	0.1
428.57727	0.1
494.51529	0.1
617.09668	0.1
634.43903	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93312	0.2
54.11608	0.2
59.01380	1.5
61.98829	100.0
63.73747	0.2
66.55498	0.2
67.22797	0.2
69.37219	1.3
71.01393	0.6
73.02944	0.3
83.01384	0.3
85.02958	0.3
96.96026	0.2
101.02461	0.5
107.58881	0.2
113.02483	0.2
119.03454	0.2
121.89097	0.2
133.02950	0.7
134.03783	0.5
135.04547	0.5
143.03578	0.2
151.03929	0.2
161.02388	1.3
174.47684	0.2
179.03456	0.5
191.05598	0.4
193.05109	0.8
194.05373	0.3
203.56290	0.2
207.10103	0.2
209.11804	1.2
210.12173	0.3
237.15529	0.2
241.09834	0.4
315.13565	1.0
355.12872	0.3
498.27896	0.2
530.65796	0.2
669.84912	0.2
671.25970	0.2
734.38208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.8
58.00573	0.5
59.01376	9.9
65.03960	22.6
66.04276	0.8
66.42826	0.6
67.01884	0.6
67.58799	0.5
68.99814	1.2
69.03456	5.8
71.01005	0.8
71.01376	9.8
71.18970	0.4
71.51773	0.6
73.02928	1.9
78.49683	0.5
83.01382	1.3
85.02947	3.9
87.00859	1.9
88.98807	0.7
89.02438	5.1
91.05481	0.5
93.03451	4.5
95.01371	0.8
95.05021	3.3
96.96014	0.7
97.02936	0.6
99.00854	1.7
101.02436	6.9
103.05495	0.9
106.04217	1.3
107.05022	0.9
109.02928	0.7
109.06542	0.6
113.02449	4.6
119.03501	1.9
119.05036	2.6
121.02934	0.6
121.06583	16.5
122.06879	0.9
123.04534	3.9
135.04451	0.7
136.77417	0.5
137.06075	0.8
138.03210	0.9
139.04001	34.1
139.07631	1.2
140.04315	2.0
147.04529	0.5
149.02411	0.5
150.03230	3.6
151.03995	11.2
152.04318	0.6
153.05550	1.1
158.85025	0.5
161.04570	0.5
163.07587	1.0
164.19630	0.4
165.05539	19.4
166.05949	0.9
169.55356	0.5
179.05569	0.7
181.01637	0.5
182.02190	0.9
182.83829	0.5
183.06601	19.8
184.06987	1.3
187.79117	0.4
191.05626	1.5
193.72984	0.5
197.04570	1.8
197.74835	0.5
207.06538	1.0
209.04535	7.4
210.04892	0.5
227.05569	1.7
237.43967	0.5
309.57898	0.5
313.09271	5.8
329.08749	0.5
345.11847	23.0
346.12198	2.0
359.09689	0.5
361.86319	0.6
375.12848	0.9
380.15460	1.0
381.15958	0.5
389.10849	100.0
390.11185	10.4
391.11523	1.0
568.88519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
57.03429	5.0
59.01379	35.9
59.35471	1.0
59.93664	1.1
61.98815	4.3
65.03961	20.0
67.01894	1.3
68.99812	1.8
69.03454	7.8
69.24220	6.7
69.24636	3.7
71.01378	41.3
72.99288	4.6
73.02949	9.0
74.43853	1.2
75.00871	2.9
83.01393	6.6
85.02467	1.6
85.02941	15.1
86.14905	1.2
87.00868	8.3
89.02444	10.9
93.03419	3.6
95.01360	2.9
95.05044	1.8
97.02924	2.2
98.19890	2.2
99.00890	5.9
101.02444	20.7
103.00346	3.4
103.03956	1.3
103.65443	1.1
105.01925	21.7
106.04216	1.9
106.79991	1.3
107.04981	1.6
111.00880	2.0
113.02446	15.1
115.04021	1.9
119.03460	3.9
119.05009	4.1
121.06582	16.1
129.01958	8.6
131.03522	1.7
133.02943	21.2
135.04514	19.0
137.02385	1.9
137.06061	2.3
139.03996	27.4
140.04254	1.4
143.03452	3.5
147.02936	4.1
147.04485	5.1
149.06046	1.3
150.03189	2.6
150.09323	1.3
151.03935	1.2
157.08659	7.5
159.02914	2.2
161.02434	45.5
161.04462	9.3
162.02753	2.3
165.05547	24.6
171.13797	1.7
175.07581	1.7
177.04041	13.5
177.05489	1.6
179.03477	12.4
181.05066	1.3
183.06569	11.4
185.11815	18.7
191.05453	1.3
195.05040	5.0
199.13342	3.3
200.04787	1.3
203.03499	3.0
203.07071	2.3
209.04503	9.7
210.80920	1.1
213.05283	1.3
227.12787	2.4
247.04594	2.5
247.09805	1.5
280.57434	1.3
295.10266	1.3
301.12909	7.6
303.18280	1.3
319.13950	50.1
320.14236	4.0
329.15997	18.9
330.16266	2.4
345.11755	2.3
347.17081	15.2
348.17725	1.9
361.14914	4.0
389.18188	18.6
390.08664	1.3
390.18283	2.2
487.14465	2.2
513.23187	4.5
529.15332	2.1
539.21423	1.6
555.26746	1.8
557.22235	10.8
558.22266	1.6
573.21631	2.6
629.24200	2.0
631.29913	5.7
638.17950	1.6
649.30872	7.1
669.24542	1.5
687.25146	3.3
691.31287	3.4
717.25690	18.5
718.25769	2.1
735.26520	100.0
736.26794	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	735.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56505	1.3
59.01376	5.4
61.98825	100.0
63.99251	1.7
71.01369	3.0
73.02943	2.0
73.29122	1.4
80.66180	1.3
82.91536	1.2
83.01398	3.2
89.02425	1.4
101.02421	3.4
102.51546	1.5
108.35770	1.9
113.02448	1.7
116.92879	2.2
121.02972	2.7
133.02997	1.5
135.04507	2.7
160.01053	1.5
161.02409	5.2
197.11812	10.0
207.10217	1.9
209.11833	16.2
227.12814	3.3
247.92200	1.4
273.17053	1.5
296.90005	1.5
357.13373	1.9
362.62784	1.3
371.14886	4.7
735.28040	6.2
736.27563	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	735.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
55.03172	1.1
57.03436	3.5
58.00600	2.0
59.01375	55.5
60.01719	1.2
61.98805	1.4
65.03952	3.2
68.66084	1.1
68.99813	1.3
69.03427	3.6
70.22741	1.1
71.01375	49.7
71.52522	1.7
71.59937	1.0
72.99289	2.7
73.02938	12.4
74.32861	1.0
80.70213	1.1
81.03456	1.2
83.00940	1.3
83.01353	6.7
85.02941	28.3
87.00866	4.4
89.02432	13.9
93.03423	1.6
95.01373	5.0
97.02943	3.0
99.00853	5.1
101.02435	34.5
105.01915	3.2
107.05057	1.8
109.06581	2.4
111.00847	1.4
111.04483	3.3
112.01612	2.2
113.02451	25.2
119.03491	4.4
121.02899	1.2
121.06591	3.0
125.02441	2.7
129.01888	3.3
133.02939	16.5
135.04503	8.6
137.02417	1.8
139.03986	5.1
139.07654	2.9
142.02661	1.5
143.03485	5.1
147.04512	2.3
149.06133	1.7
157.08664	15.5
159.02988	2.8
161.01152	2.0
161.02449	28.7
161.04510	18.7
165.05505	3.2
175.04001	1.3
177.01949	1.5
177.04030	2.6
179.03468	8.3
179.05589	1.9
185.11720	5.8
195.05025	1.7
203.03360	1.7
203.07082	1.4
209.04529	1.3
247.09644	1.3
255.20279	1.2
285.17014	2.1
301.12897	16.7
302.12961	1.6
303.18048	2.8
319.13925	100.0
320.14151	8.9
329.16003	38.8
330.16287	3.5
347.17050	39.0
348.17215	3.0
361.15125	9.5
362.15430	1.4
389.18130	38.5
390.18301	3.8
409.99384	1.3
426.27826	1.3
447.77094	1.3
487.14511	2.3
557.22375	3.5
573.20654	1.3
631.29834	9.8
632.29901	3.8
642.73273	1.4
649.30786	15.0
650.30981	3.4
679.19995	1.1
691.31256	6.6
692.31580	1.4
694.09326	1.2
717.24658	4.3
718.25177	1.3
735.25690	32.8
736.26337	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	735.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95965	1.0
53.32343	0.9
55.01875	1.4
57.08012	0.9
58.00584	1.5
59.01378	43.6
61.42009	1.1
61.98827	100.0
71.01378	38.8
71.81112	1.0
72.99313	2.5
73.02940	4.5
83.01393	8.0
85.02950	7.9
87.00864	4.7
89.02443	32.4
95.01374	2.2
97.02947	2.4
98.20651	2.5
101.02431	23.6
105.57755	1.2
113.02450	19.4
116.30469	1.0
119.03497	10.2
125.02464	2.9
131.03514	1.6
143.03461	5.6
146.44499	1.0
149.04529	1.4
161.02411	1.8
161.04552	9.8
179.03404	1.1
179.05609	7.3
211.13377	6.2
212.13724	3.8
213.13846	1.1
235.08162	3.9
253.09233	14.6
277.18500	1.2
277.21701	61.5
278.22125	6.4
397.13474	98.7
398.13754	9.4
415.14539	77.0
416.14890	6.8
675.36005	6.8
676.36615	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4316
Annotation	Bacoside A1
Peak:m/z	Relative Intensity
55.80743	0.3
59.01375	49.0
60.01704	0.6
61.98826	9.7
68.99825	0.7
69.19969	0.7
69.20382	2.2
69.90912	0.2
71.01369	1.6
73.02933	2.1
78.24229	0.3
80.96483	0.3
83.01396	0.7
85.02956	0.7
98.20649	0.6
101.02429	2.5
113.02470	0.9
122.23364	0.3
125.02426	0.3
127.59120	0.2
143.03506	1.3
161.02429	0.9
161.04590	0.4
183.14102	0.3
315.74377	0.3
469.33249	0.5
470.33676	0.8
471.34732	100.0
472.35095	18.3
485.30386	0.4
485.36172	1.5
486.36536	0.4
496.13431	0.3
513.35828	1.5
514.36395	0.3
537.35645	0.3
555.36694	0.9
556.37323	0.3
675.40924	0.5
735.41791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78703	0.1
54.31901	0.1
59.01382	0.4
61.98827	100.0
71.01397	0.2
71.52411	0.2
75.00887	0.3
80.91701	0.3
82.95396	0.3
85.02950	0.2
113.53692	0.1
128.17999	0.1
133.02975	0.3
135.04501	0.2
161.02478	0.6
169.16006	0.1
179.03471	0.1
255.23347	0.2
313.49469	0.1
316.44122	0.1
397.13565	0.2
428.14911	0.1
444.17776	0.1
455.17307	0.5
456.17383	0.2
459.18207	0.2
459.39474	0.2
473.18439	0.4
474.18304	0.1
480.79065	0.1
496.13922	0.2
497.14700	0.2
511.16525	0.5
512.13196	0.9
513.13849	0.4
526.14758	0.3
527.16016	0.5
528.16107	0.3
529.15100	0.2
530.16711	0.2
574.20966	0.3
575.21045	0.2
586.19946	0.2
599.21265	0.4
600.21411	0.2
614.20148	4.4
615.20483	1.7
616.20819	0.6
617.20355	1.7
618.20062	1.4
619.19940	0.3
646.18933	0.8
676.19373	0.2
735.34924	0.3
735.84357	0.7
736.21472	2.2
736.35046	0.3
737.21320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
61.98827	100.0
69.91869	1.0
71.01376	0.8
84.54832	0.2
96.81243	0.2
171.10222	0.4
202.25755	0.2
221.11827	0.8
239.12933	0.5
253.09329	0.4
255.23265	0.7
259.04987	0.3
277.21814	0.8
304.53708	0.2
333.72742	0.2
350.61093	0.2
378.50015	0.2
603.22443	0.2
712.13177	0.3
736.28064	0.5
751.99060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.1
61.98827	100.0
62.98538	0.2
62.99228	0.1
69.60777	0.4
70.95105	0.1
82.13020	0.1
87.27168	0.1
102.55677	0.1
106.40916	0.1
113.92583	0.1
118.26563	0.1
119.94409	0.1
125.68041	0.1
161.02481	0.1
209.11786	0.1
232.92078	0.1
268.94739	0.1
270.92587	0.1
394.75919	0.1
442.24612	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
58.00576	0.7
59.01376	13.1
61.98828	3.9
69.60838	2.5
71.01370	7.0
71.95594	0.4
72.99313	0.8
73.02938	0.5
77.02625	0.4
83.01374	2.6
85.02957	2.6
87.00873	0.6
89.02443	4.5
93.03448	1.4
93.28848	0.4
95.01388	0.8
101.02435	3.8
110.25659	0.4
113.02438	2.3
119.05020	100.0
120.05334	3.3
121.02935	0.7
123.04535	1.0
133.02946	0.7
135.04544	1.5
137.02446	2.3
148.01683	0.5
149.02493	0.5
159.90622	0.4
161.02437	2.5
161.09814	0.4
161.13338	1.4
163.04001	86.4
164.04350	4.4
179.03534	0.8
179.05589	1.2
181.89165	0.4
187.11259	3.2
205.12338	1.3
209.04752	0.4
249.11296	1.6
273.11221	0.5
291.12424	0.6
319.16562	0.8
320.36993	0.4
325.09314	2.7
371.14780	0.9
372.15216	1.5
393.15646	1.1
513.21063	5.2
513.26825	0.7
514.21576	1.1
531.28265	0.6
557.20172	16.5
558.20453	3.4
573.21600	0.6
610.19153	0.6
737.26514	17.3
738.27814	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	737.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.7
59.01376	12.5
61.98828	6.0
69.60459	1.6
71.01382	7.6
71.01787	0.5
72.99315	0.6
73.02945	0.7
76.97029	0.2
83.01403	0.9
85.02953	1.9
87.00902	0.3
89.02448	4.0
91.05531	0.3
93.03463	0.7
95.01387	0.6
95.05030	0.4
96.96009	0.3
98.19897	0.4
100.06824	0.3
101.02431	3.4
113.02444	2.0
119.05025	100.0
120.05362	4.5
123.04530	0.5
131.03535	0.3
133.02946	1.2
135.04538	0.8
137.02489	1.3
139.03981	0.3
143.03522	0.3
146.43602	0.3
149.06145	0.3
157.06633	0.3
161.02415	2.4
161.04527	0.3
161.06145	0.2
161.09756	0.3
161.13354	1.1
162.02792	0.6
163.04002	91.0
164.04352	4.6
169.10121	0.3
179.05629	0.6
187.11282	4.5
188.11642	0.3
205.12300	1.2
219.24794	0.3
229.12276	0.6
231.10284	0.4
241.38026	0.2
247.13329	0.3
249.11250	0.7
273.11310	0.4
318.38925	0.3
325.09201	2.7
326.09320	0.3
393.15515	1.1
411.16660	0.5
487.14871	0.3
489.26807	0.5
513.21100	6.3
514.21466	1.0
531.27942	1.2
557.20270	9.2
557.28754	0.5
558.20374	1.8
573.21844	1.2
655.10913	0.3
684.98041	0.3
737.26447	18.6
738.26733	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26051	0.3
58.00581	0.6
59.01376	13.4
59.84728	0.3
61.98827	3.7
65.71250	0.3
71.01376	6.8
72.99294	0.6
73.02948	0.4
80.59328	0.3
81.03490	0.3
83.01376	2.4
85.02963	2.4
87.00877	0.6
89.02438	3.8
93.03453	0.9
95.01389	0.5
99.00862	0.5
101.02426	3.3
107.04993	0.3
113.02428	1.8
114.69990	0.3
117.03493	0.4
119.05019	100.0
120.05338	4.1
121.02928	0.4
123.04505	1.0
130.05125	0.3
133.02907	0.9
134.03712	0.4
135.04526	1.4
135.86426	0.3
136.05272	0.4
137.02420	2.1
139.04039	0.5
141.04262	0.3
147.04492	0.5
149.02403	0.4
150.03183	0.4
161.02446	1.8
161.04538	0.6
161.13315	1.2
162.02805	0.4
163.03996	83.6
164.04329	4.0
179.03470	0.9
179.05588	0.8
187.11263	3.0
203.03429	0.3
205.04984	0.3
205.12370	0.9
229.12320	0.4
231.10287	0.8
245.11594	0.3
247.13306	0.3
249.11340	1.0
255.10254	0.5
273.11298	0.5
283.57584	0.3
291.12402	0.4
312.02747	0.4
315.12338	0.3
319.16452	0.5
325.09259	3.0
349.16571	0.5
371.14850	1.5
372.15408	1.4
393.15509	1.8
394.15729	0.4
411.16736	0.4
420.35068	0.3
455.42023	0.3
461.14117	0.4
475.14612	0.3
513.21088	4.1
513.27264	0.4
514.21521	0.6
526.67078	0.3
557.20190	15.0
558.20575	3.0
573.21655	1.5
640.19641	0.4
645.32318	0.3
693.33136	0.5
737.26581	20.0
738.27338	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	737.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73967	1.9
59.01376	41.8
59.37239	1.8
60.07141	1.6
61.98828	100.0
71.01382	18.1
73.02940	4.7
83.01385	6.9
85.02954	8.3
88.14394	1.9
88.98793	6.4
89.02448	6.4
95.01398	2.4
96.95992	3.9
101.02448	8.7
106.68187	2.1
113.02424	9.1
114.01918	1.9
119.03500	4.7
119.46712	1.8
121.02984	2.2
125.02457	3.2
133.02980	2.8
161.02478	4.0
161.04596	2.7
172.01492	2.2
179.03441	1.8
209.11813	2.5
371.14795	4.8
393.85791	2.2
463.92676	2.1
570.33453	2.3
617.39105	5.5
633.20483	2.5
633.39032	9.0
635.40094	8.5
642.33105	2.3
651.40082	2.7
653.40881	3.9
677.41321	2.4
695.42236	3.0
722.55530	2.4
737.29218	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	737.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
55.78601	0.7
58.00593	1.3
59.01380	35.7
61.98818	1.7
66.79412	0.8
69.03468	2.2
71.01378	26.4
72.99290	1.7
73.02940	4.4
80.14024	0.7
81.03459	1.2
83.01382	3.7
85.02952	6.2
87.00874	4.4
89.02434	20.7
95.01392	2.2
97.02944	3.7
98.20634	2.3
101.02438	18.5
113.02442	10.7
119.03490	6.5
125.02454	8.0
126.93452	0.7
133.02969	3.0
133.05038	1.2
135.04510	3.0
143.03488	4.3
161.02475	7.6
161.04539	4.0
179.03487	2.5
179.05582	3.7
182.94205	0.8
203.41025	0.9
207.10242	5.3
211.13351	1.0
221.06659	1.6
225.11285	2.3
235.08238	10.9
249.15706	0.8
253.09297	2.7
263.07938	1.2
277.09259	1.2
277.21695	1.6
279.23273	78.9
280.23627	8.2
287.07626	3.4
293.21124	3.6
305.08612	4.6
310.54248	0.8
323.09622	1.5
327.16055	1.1
397.13461	100.0
398.13733	11.2
415.14493	32.0
416.14929	2.6
444.47617	0.9
448.90771	0.9
480.18256	3.9
480.68457	2.0
489.18835	1.7
607.22821	2.3
607.73749	1.1
677.37244	2.2
727.74792	1.0
737.34210	4.7
737.83990	4.4
738.34039	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14355	1.9
58.00599	2.0
59.01106	2.9
59.01380	28.2
61.98829	7.1
71.01379	22.8
71.06249	2.9
71.06589	2.4
71.57058	1.7
72.99287	3.3
73.02942	6.2
76.20792	2.1
81.28236	1.9
82.88103	1.8
83.01373	3.6
85.02957	5.7
87.00871	6.0
88.49069	2.7
89.02440	21.0
91.09211	1.5
97.02953	5.1
100.48950	1.8
101.02425	18.2
113.02469	9.3
117.09337	1.9
119.03484	3.5
125.02443	7.5
132.66362	2.1
133.02916	3.8
135.04543	3.0
143.03482	4.9
152.11510	2.4
161.02423	6.7
161.04488	2.3
179.03471	2.9
179.05562	2.5
180.96034	1.9
207.10254	4.3
235.08203	8.5
253.09283	2.7
277.21762	4.3
279.23267	67.6
280.23630	8.7
287.07623	2.4
305.08923	5.4
397.13464	100.0
398.13834	7.7
415.14505	33.3
416.14639	3.2
458.25211	2.2
480.17804	3.0
480.68451	4.3
663.30017	2.0
737.33911	3.2
737.84216	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	737.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57239	0.4
55.01865	0.6
57.03451	0.8
59.01378	7.2
61.98815	2.3
63.20394	0.4
63.46448	0.4
63.48205	0.4
69.03451	3.7
69.07899	0.5
69.14381	1.4
69.14813	2.8
71.01371	4.8
71.05007	2.2
73.02946	1.2
76.73736	0.4
81.03416	0.6
83.01405	0.5
85.02956	1.3
87.00863	0.8
89.02453	2.7
96.66833	0.4
97.02965	0.5
97.06586	0.9
101.02439	3.4
111.04511	0.6
113.02458	2.2
119.03484	0.8
123.08145	0.9
125.09712	2.2
151.11259	1.9
152.43030	0.4
153.12833	1.9
161.04562	1.2
161.09712	2.2
169.12341	1.0
179.10744	6.4
197.11807	81.0
198.12143	5.3
223.09724	1.9
241.10773	3.6
253.09370	2.5
277.11877	0.5
277.21689	25.5
278.21964	2.8
295.13086	0.4
302.34735	0.5
329.87088	0.5
459.18750	1.1
477.19702	2.1
674.20929	0.5
737.41095	100.0
738.41364	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	737.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.77664	0.4
57.03422	0.7
59.01376	5.6
61.98830	2.3
69.03442	4.1
69.29319	2.7
69.29727	1.0
71.01379	4.6
71.04998	1.6
72.99283	0.7
73.02945	1.0
80.96518	0.6
81.03458	0.5
83.01369	0.5
83.05014	1.0
85.02920	1.1
87.00850	1.1
89.02454	1.9
97.06565	0.9
98.20761	0.4
99.00838	0.5
101.02422	3.3
104.37035	0.4
111.16257	0.4
113.02429	1.5
119.03482	0.4
123.08128	0.8
125.09680	2.3
138.91101	0.4
140.55724	0.4
149.09621	0.5
151.11229	2.1
153.12842	1.0
161.04543	0.9
161.09717	3.8
169.12286	1.1
179.10773	7.4
197.11816	41.4
198.12148	2.3
209.11720	0.7
223.09767	1.1
235.08197	0.8
241.10739	1.8
253.09222	2.4
254.14264	0.4
259.20517	0.5
262.13538	0.5
277.21698	48.8
278.22058	5.9
293.48898	0.4
424.82114	0.4
459.18497	0.7
477.19559	1.4
495.76184	0.5
737.41095	100.0
738.41412	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	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.6
59.59993	0.9
61.98824	3.9
64.26306	0.9
69.03417	1.0
71.01386	6.0
71.34470	1.6
73.02930	1.4
76.24375	0.8
81.03454	2.5
83.05013	2.0
85.02975	1.4
87.00894	1.2
89.02446	4.2
95.65966	0.9
97.02948	5.0
99.00900	1.6
100.46735	0.8
101.02428	6.5
107.32829	0.9
109.06590	21.5
113.02464	3.6
119.03528	1.0
123.04534	3.1
133.02951	2.1
135.04521	3.4
135.08151	2.2
142.02701	1.4
161.02426	5.5
161.04568	2.7
161.09671	1.1
163.11270	13.5
171.10245	0.9
179.03488	2.6
181.12335	2.3
189.09114	1.4
195.13876	8.6
196.14209	0.9
202.06593	1.0
207.10240	75.0
208.10619	3.4
209.11868	3.6
210.12161	1.1
211.13431	3.7
212.66438	1.0
223.13300	5.6
225.11298	21.8
226.11722	1.7
235.08195	3.6
236.19177	0.9
253.09248	22.8
254.09779	1.2
255.35408	1.0
256.13135	1.7
259.11948	1.1
275.20090	7.5
277.21780	2.5
291.19644	2.0
293.21213	100.0
294.21530	9.1
297.60403	0.9
397.13315	1.3
443.19339	3.8
457.33105	1.3
461.20206	6.0
480.18149	2.7
480.69254	1.0
483.30704	1.6
501.32080	1.2
529.30457	2.1
607.23193	1.2
607.73541	1.2
719.41113	2.5
737.41467	35.6
737.84497	3.0
738.42004	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	737.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.9
59.43547	4.9
61.98833	34.1
78.95882	5.3
84.08302	4.9
98.19920	16.3
130.84238	5.8
139.60600	5.8
151.24695	5.1
186.21492	5.0
195.86954	5.0
209.11810	74.5
212.17104	5.5
227.12823	18.3
235.08188	13.0
253.09320	10.8
255.23264	100.0
256.23596	8.7
256.57611	5.3
276.93372	5.7
281.16605	5.6
283.49033	5.5
290.14642	6.4
491.31931	12.0
629.22449	6.8
737.42548	54.7
738.42590	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	738.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.98826	100.0
62.98540	0.2
71.01382	0.1
89.31480	0.1
100.46603	0.1
101.02464	0.1
126.36475	0.1
129.14059	0.1
131.79771	0.1
215.77747	0.1
268.52325	0.1
277.21695	0.1
279.22443	0.1
293.21518	0.1
299.93884	0.1
397.13730	0.1
398.13950	0.2
399.13989	0.2
400.14359	0.1
417.15033	0.1
418.15405	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	738.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
61.98827	100.0
62.05933	0.1
62.98523	0.1
71.01392	0.2
87.80917	0.1
89.02417	0.2
101.02456	0.1
104.70095	0.1
107.32224	0.1
109.06640	0.1
161.02425	0.2
163.11354	0.1
195.14014	0.1
209.11819	1.8
210.54176	0.1
227.12892	0.2
246.59349	0.1
253.09355	0.3
275.20236	0.1
277.21735	0.1
278.22208	0.1
279.22476	0.1
293.21158	1.2
293.23907	0.1
309.96536	0.1
397.13593	0.1
398.13757	0.1
399.14218	0.2
400.14407	0.1
401.95975	0.1
420.60605	0.1
604.63153	0.1
607.73456	0.1
608.23541	0.1
625.21381	0.1
737.85315	0.1
738.33752	0.2
738.83276	0.1
745.15314	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	738.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
61.98827	100.0
63.07782	0.2
70.38941	0.2
71.01382	0.5
71.51781	0.2
71.52171	0.2
73.31455	0.2
79.46226	0.2
80.69814	0.2
101.02474	0.2
116.92839	0.3
132.03053	0.3
135.04497	0.2
146.04578	0.2
161.02409	0.4
179.03566	0.2
207.10349	0.2
209.11830	0.8
211.13374	0.3
227.12947	0.5
293.21283	0.4
360.56772	0.2
456.64471	0.2
499.64789	0.2
583.85376	0.2
739.27368	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66989	0.2
59.01369	2.1
61.98820	0.5
65.03951	0.3
67.01887	0.4
71.01380	1.6
73.02933	0.5
76.51660	0.2
85.02943	6.6
87.00871	1.6
89.02441	0.3
89.84256	0.2
91.06915	0.3
93.03449	3.9
96.96005	1.9
98.95619	0.5
99.04517	0.4
101.02440	0.5
109.02946	0.6
111.04514	1.0
113.02425	1.0
114.08521	0.3
119.04983	1.2
125.02478	0.2
127.03976	1.4
133.02948	2.0
135.04517	1.1
139.03972	0.6
140.92450	0.2
145.02939	0.5
155.03448	0.3
161.02425	3.3
163.03989	1.3
171.02948	0.6
173.04506	1.6
179.03479	0.9
183.06602	0.5
191.05591	100.0
192.05943	4.0
267.07181	1.2
337.09213	1.9
351.07153	0.6
353.08737	19.8
354.08932	1.8
383.10031	0.6
401.18378	1.7
413.10596	1.8
414.10980	0.4
487.14163	0.3
621.18243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66989	0.2
59.01369	2.1
61.98820	0.5
65.03951	0.3
67.01887	0.4
71.01380	1.6
73.02933	0.5
76.51660	0.2
85.02943	6.6
87.00871	1.6
89.02441	0.3
89.84256	0.2
91.06915	0.3
93.03449	3.9
96.96005	1.9
98.95619	0.5
99.04517	0.4
101.02440	0.5
109.02946	0.6
111.04514	1.0
113.02425	1.0
114.08521	0.3
119.04983	1.2
125.02478	0.2
127.03976	1.4
133.02948	2.0
135.04517	1.1
139.03972	0.6
140.92450	0.2
145.02939	0.5
155.03448	0.3
161.02425	3.3
163.03989	1.3
171.02948	0.6
173.04506	1.6
179.03479	0.9
183.06602	0.5
191.05591	100.0
192.05943	4.0
267.07181	1.2
337.09213	1.9
351.07153	0.6
353.08737	19.8
354.08932	1.8
383.10031	0.6
401.18378	1.7
413.10596	1.8
414.10980	0.4
487.14163	0.3
621.18243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04461	0.6
56.05624	0.5
57.03452	0.7
59.01373	5.5
61.98826	8.3
65.00333	0.7
71.01390	4.8
71.52296	0.9
73.02944	1.7
83.01400	1.4
85.02955	1.5
87.00853	0.9
88.98801	1.7
91.01900	1.9
93.03461	4.4
96.96024	0.9
100.93898	0.6
101.02455	2.7
109.02971	1.0
113.02438	2.2
117.03497	0.8
119.01386	7.3
119.05035	1.0
121.02951	28.7
127.50561	0.6
133.02881	0.8
134.03711	1.5
135.04530	4.9
136.01622	1.3
137.02412	1.2
143.03467	0.7
147.00862	6.8
149.02423	15.6
150.03108	1.7
151.03973	2.0
152.01070	1.4
161.02412	2.5
162.03200	1.2
163.03978	4.9
164.04774	14.6
164.98671	0.7
165.01926	2.1
165.05214	0.9
175.00351	41.4
176.00827	2.6
179.03499	1.2
179.07121	3.9
180.03891	0.7
189.01888	1.7
190.02699	100.0
191.03091	6.5
193.01382	1.4
205.05038	89.1
206.05368	6.4
208.03749	1.7
209.04439	1.9
209.11829	1.8
223.06097	15.1
234.05188	0.6
247.06102	0.9
265.07010	0.8
319.74271	0.7
356.12613	31.9
357.13025	5.6
367.10291	66.4
368.10651	5.5
371.14984	10.9
372.15280	1.4
491.32928	0.6
635.40308	1.6
657.55945	0.6
739.25952	73.2
740.26221	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	739.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
57.03434	4.6
59.01376	90.7
60.99298	9.0
61.98824	44.3
63.99225	2.0
68.69617	1.9
69.31731	11.2
69.32134	5.2
71.01375	41.1
73.02940	12.2
83.01382	8.3
85.02949	24.2
87.00868	5.8
87.97701	2.1
88.98803	55.8
89.02442	18.1
90.20251	1.8
95.01395	4.1
97.02905	3.8
99.00864	7.3
101.02434	30.2
102.78020	2.2
109.06548	2.8
111.00871	3.0
111.84015	2.1
113.02457	20.9
119.03484	6.4
121.02940	4.2
125.02410	2.6
131.03481	2.0
134.04047	2.0
143.03409	2.8
156.48073	2.1
161.04482	4.3
179.05560	2.8
196.77928	2.0
207.10149	12.2
208.10715	2.2
209.11816	26.6
214.05028	2.3
225.11246	5.9
227.12885	7.8
314.05328	2.0
445.20953	2.2
461.20111	3.0
491.35880	6.2
635.30450	12.6
635.39984	100.0
636.30682	4.2
636.39777	13.0
653.31586	11.6
653.41156	57.2
654.41687	10.3
671.32758	17.6
672.32794	3.3
695.42157	32.7
696.42450	7.2
739.31329	12.1
740.28583	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	739.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
59.01370	1.8
60.99301	17.2
61.98825	2.7
71.01405	1.2
71.01720	0.2
71.53637	0.3
73.02891	0.2
83.01402	0.4
85.02932	0.6
87.00854	0.7
88.00403	0.7
88.98798	100.0
89.02432	6.3
89.99140	1.3
96.96022	0.2
97.81197	0.2
101.02449	0.7
113.02456	0.5
116.24438	0.2
116.39181	0.2
133.02940	0.4
135.04533	0.4
157.70882	0.2
161.02467	0.7
171.10269	0.3
191.05620	0.2
209.11734	0.3
221.92181	0.2
272.42200	0.2
282.94696	0.2
357.13443	0.4
458.15005	0.2
465.65247	0.3
491.32404	0.3
494.49356	0.2
618.74957	0.2
695.37836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.2
57.03422	2.8
58.00586	1.1
59.01377	69.6
61.98828	27.2
65.07574	0.7
65.50276	0.7
69.03435	1.7
70.94378	1.0
70.94698	1.0
71.01378	38.9
72.99288	3.6
73.02941	12.7
75.00854	1.5
81.03468	1.3
83.01382	9.9
85.02950	21.7
87.00885	4.2
88.98837	1.3
89.02444	9.8
95.01374	4.4
96.95982	1.4
97.02934	3.3
99.00889	5.3
101.01801	1.6
101.02434	26.5
111.00860	3.9
112.01630	1.5
113.02443	21.1
113.23814	0.8
114.02715	1.0
116.92850	1.5
119.03474	3.3
121.02942	5.7
124.01630	1.7
125.02455	6.1
143.03432	3.2
159.02954	2.3
161.02394	1.6
161.04530	5.9
161.05675	0.9
175.03935	1.1
283.26352	2.5
286.37308	0.8
297.55960	1.0
329.30557	3.7
356.12747	1.6
473.34601	3.4
491.35870	9.0
492.36105	1.3
504.58435	0.9
635.40112	100.0
636.40442	20.1
653.41132	72.6
654.41364	14.2
695.42212	30.9
696.41888	6.3
720.08508	0.8
739.27551	21.4
740.27960	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	739.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.4
57.03445	4.5
59.01376	83.0
60.01741	1.6
60.99298	2.3
61.98826	20.6
69.03453	1.3
71.00177	2.8
71.01379	43.8
72.99315	2.0
73.02941	13.4
83.01390	7.6
83.05023	1.5
85.02948	22.3
86.00095	1.6
87.00871	5.4
88.98796	13.3
89.02441	13.4
95.01374	5.5
97.02949	3.3
98.20011	1.3
99.00879	6.6
101.02438	29.2
111.00896	3.7
112.55813	1.3
113.02451	22.9
119.03494	4.6
121.02959	4.5
124.01673	1.5
125.02441	4.8
129.01927	1.6
143.03464	2.9
159.02962	1.7
161.02493	2.1
161.04590	6.1
179.05608	1.4
207.10239	2.8
209.11827	4.8
225.11243	1.4
227.12810	2.6
254.53549	1.3
329.30469	2.0
469.16019	1.2
473.34521	4.2
491.35895	6.9
492.35629	1.5
635.31274	3.7
635.40082	100.0
636.30768	1.6
636.40424	20.5
653.32465	3.0
653.41119	67.2
654.41693	13.5
671.33014	4.6
695.42188	35.6
696.42413	9.3
739.27136	15.5
740.27893	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	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03440	1.4
59.01378	7.0
61.98826	2.6
69.03466	0.6
71.01375	9.1
71.05021	2.2
72.99317	0.6
73.02954	1.8
81.03430	0.7
83.05029	1.0
85.02946	1.4
87.00878	1.1
87.58163	0.5
88.63793	0.5
89.02448	3.4
95.01380	0.6
96.84081	0.5
96.95986	1.4
97.02951	4.6
97.06577	1.9
99.00871	12.6
101.02444	5.4
106.04259	0.5
108.99282	0.5
109.06588	1.9
111.04525	0.6
113.02444	1.5
114.69189	0.5
119.03471	0.8
123.08173	1.3
125.09724	5.7
127.11285	1.9
135.08168	0.7
142.02727	1.2
155.14421	0.6
161.04517	0.9
161.09737	0.8
163.11275	7.3
164.11586	0.8
171.10257	19.7
172.10576	1.6
179.05598	0.9
181.12323	14.5
182.12648	1.0
195.28110	0.5
197.11885	1.0
199.13373	24.2
200.13770	1.3
201.11360	3.1
207.10240	34.9
208.10551	2.4
225.11305	63.5
226.11716	3.5
235.08200	2.0
243.12344	12.2
244.12354	0.7
253.09274	6.2
277.21701	56.8
278.22043	6.0
415.28769	0.5
443.19009	1.2
461.14343	0.7
461.20288	9.7
462.20685	1.3
479.21353	2.1
489.62238	0.6
512.47894	0.5
721.41785	5.5
722.42291	1.3
739.42694	100.0
740.42999	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	739.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
59.01379	7.9
61.98829	1.6
69.03439	0.8
69.34772	4.4
70.21053	0.5
71.01382	6.5
71.05018	2.0
73.02943	1.6
78.09232	0.5
83.01392	1.2
85.02949	2.4
87.00871	1.5
89.02450	2.6
95.05024	1.0
97.02953	4.2
97.06590	2.0
99.00871	11.7
101.02445	4.5
109.06580	1.9
110.03698	1.0
113.02433	2.3
119.03532	0.7
123.08203	1.2
125.09706	5.6
127.11298	1.3
135.08131	0.8
136.05260	0.9
142.02725	1.0
143.03494	0.7
145.05023	0.9
152.23276	0.5
161.04532	1.4
161.09714	0.8
163.11284	8.5
171.10260	13.1
172.10611	0.7
179.10680	0.6
181.12328	10.4
189.09113	1.2
197.11816	1.6
199.09741	1.4
199.13388	11.3
201.11365	2.6
207.10242	29.3
208.10663	1.4
225.11302	44.6
226.11694	2.7
235.08191	3.5
243.12390	6.9
253.09261	5.5
277.21695	79.5
278.22040	8.7
443.19168	1.8
461.20209	6.1
479.21420	1.1
492.58301	0.6
513.30286	0.7
678.64911	0.5
686.64606	0.5
721.41595	7.1
722.42499	1.5
739.42688	100.0
740.43048	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	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
58.00582	0.3
58.75986	0.2
59.01372	5.2
60.76201	0.2
61.98824	7.5
69.03452	0.5
71.01370	4.3
71.05005	0.3
71.06931	0.3
71.07307	0.5
72.99309	0.3
73.02939	0.8
75.00898	0.3
80.02670	1.0
81.03443	0.8
83.01392	0.7
83.05029	3.7
84.02162	0.5
85.02943	0.9
87.00870	0.9
89.02435	3.0
95.05017	0.7
97.02982	0.2
99.00933	0.4
101.02438	3.9
111.08115	0.5
113.02429	1.5
116.92849	0.8
119.03503	0.8
121.10244	0.7
125.06055	0.5
125.09708	0.4
129.92818	0.3
133.02937	1.1
133.05061	0.3
135.04486	0.7
135.08159	0.6
143.03542	0.3
151.38109	0.3
161.02481	1.9
161.04498	1.7
162.02780	0.3
163.11296	3.3
165.12822	2.1
167.10794	0.4
171.10257	2.0
179.03505	0.6
179.05539	0.6
179.14377	0.8
181.12323	0.6
189.94019	0.4
191.10789	0.9
195.13885	7.2
196.14461	0.8
205.12314	0.7
209.11801	100.0
210.12141	6.1
211.13361	1.4
223.13347	4.6
224.13713	0.4
227.12857	11.7
228.13387	1.4
235.08188	2.1
249.05147	0.3
253.09248	19.1
254.09648	1.0
256.13101	1.0
263.38837	0.3
265.21606	0.6
275.20108	9.5
276.20560	0.8
277.21683	0.6
293.21188	89.4
294.21518	9.4
398.71371	0.3
400.64584	0.6
409.14658	0.4
445.20465	1.0
485.32968	0.4
529.29944	1.2
608.71924	0.8
738.82983	1.9
739.32611	0.8
739.83710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98826	100.0
62.98531	0.2
71.01368	0.2
113.38520	0.1
116.92864	0.5
134.89337	0.1
155.40361	0.1
161.02490	0.1
189.37543	0.1
209.11897	0.6
211.13435	0.8
211.15131	0.1
212.13765	0.3
253.09303	0.2
279.23401	0.3
280.23590	0.2
293.21353	0.2
295.22809	0.5
398.14047	0.1
399.14142	0.2
416.14700	0.1
724.45245	0.1
739.84656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98826	100.0
62.98519	0.1
71.01404	0.2
84.27407	0.1
93.39058	0.1
98.20653	0.2
102.74387	0.1
120.24838	0.1
123.04510	0.2
146.66417	0.1
154.78627	0.1
161.13443	0.1
163.03908	0.1
193.45059	0.1
228.16566	0.1
524.39856	0.1
561.19666	0.1
673.82910	0.1
678.49927	0.1
680.50958	0.4
740.49207	2.3
741.26569	0.6
741.49255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59107	0.1
59.01375	4.9
67.01900	0.3
69.65106	0.2
71.01382	1.4
73.02944	0.4
81.03442	0.2
85.02946	5.5
87.00858	1.4
89.02437	0.3
93.03448	3.2
97.20769	0.1
99.00861	0.2
101.02449	0.5
109.02914	0.4
111.04527	1.0
112.90197	0.1
113.02457	0.4
117.03445	0.2
119.05005	0.8
121.02918	0.3
125.02418	0.2
127.03983	1.5
133.03021	0.2
135.04512	0.2
136.01649	2.1
143.03569	0.2
145.02942	0.8
151.04001	4.7
156.95662	0.1
159.30397	0.2
161.02448	0.4
161.04562	1.1
163.03992	1.2
171.03058	0.4
173.04584	1.2
191.05600	100.0
192.05946	4.1
206.51888	0.2
236.74284	0.2
243.02890	0.3
255.02939	0.8
271.02423	1.5
276.35318	0.2
300.02731	2.8
301.03110	0.5
337.09259	26.5
338.09579	2.5
342.11069	0.9
357.13391	8.7
358.13693	1.1
460.25436	0.2
503.76120	0.2
586.38965	0.2
637.27124	0.2
741.18665	2.2
742.19232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.291
Annotation	Diarctigenin
Peak:m/z	Relative Intensity
55.01865	1.3
59.01373	2.1
61.98809	0.9
71.01380	0.7
72.71030	0.4
75.56213	0.3
83.01379	27.0
84.02164	0.5
93.03429	0.8
121.02950	20.0
122.03835	2.1
123.00880	3.1
123.04536	0.5
126.24624	0.3
131.05234	0.3
131.57141	0.4
136.05292	21.1
137.05994	0.8
138.03194	1.7
147.04491	0.5
154.02707	0.4
159.04457	0.8
160.05275	0.6
161.06105	1.0
162.06769	0.4
168.04260	6.8
184.05348	0.4
185.05974	0.6
203.03450	0.7
204.04274	0.9
207.10362	0.4
209.11804	0.7
212.04691	0.5
213.05486	2.3
219.06583	0.7
227.03394	0.9
227.06998	1.8
239.03584	0.6
240.04344	0.7
241.05026	1.7
243.06624	0.5
255.06612	7.4
256.07166	0.8
257.08118	0.6
269.08228	1.0
281.07983	0.6
283.10114	0.4
293.21436	0.5
295.09674	0.5
339.08429	0.6
353.10190	0.4
427.51987	0.4
447.14178	0.5
448.15869	0.5
463.12869	0.5
463.18408	0.8
475.13419	2.1
476.14307	2.6
477.15155	0.8
489.15378	0.6
490.16281	2.6
491.17053	11.9
492.17383	2.0
493.54782	0.4
505.18887	2.4
513.18970	0.5
533.98120	0.4
557.18066	0.7
575.19049	1.4
709.27002	0.7
726.27557	1.8
741.29108	100.0
742.29486	26.1
742.42969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.03436	0.4
59.01385	2.5
61.98814	1.8
70.95193	0.9
71.01367	1.0
76.30372	0.4
83.01377	8.5
85.02947	0.4
93.03439	1.3
121.02953	12.3
122.03706	1.5
123.00867	1.4
136.01598	0.8
136.05287	9.5
137.02409	1.5
138.03214	0.7
144.79958	0.5
147.09956	0.4
151.03996	1.0
159.04442	0.5
161.06068	0.7
167.17485	0.5
168.04213	2.9
169.12309	1.5
185.06003	0.6
199.04102	0.5
203.03516	0.4
204.04181	0.8
209.11729	0.7
213.05479	0.7
219.06461	0.5
221.11845	0.5
223.13390	1.9
226.02785	0.9
227.03476	0.5
227.07187	0.6
228.04243	0.7
229.05080	0.6
235.07985	0.5
240.04260	0.7
241.04935	1.5
253.04935	0.6
255.06606	0.8
256.07358	0.8
258.01648	0.4
281.08054	0.5
288.06403	0.8
447.14511	1.3
448.15152	1.9
462.13004	1.8
463.13037	1.0
463.18506	0.6
475.13647	2.9
476.14758	2.3
477.15247	2.0
478.16016	0.9
479.16879	0.7
490.16257	3.7
491.17068	12.0
492.17273	1.7
504.17368	0.6
505.19138	2.9
506.18790	0.5
524.16736	0.7
535.45807	0.5
575.19196	0.9
709.26093	0.6
710.27655	0.5
711.23407	0.7
725.26672	0.8
726.26819	2.4
727.27454	0.6
741.29083	100.0
742.29456	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39638	1.5
55.31300	1.6
59.01377	19.9
61.98825	17.3
71.01382	14.0
71.53777	2.2
73.02927	2.7
83.01376	11.9
85.02937	6.5
88.98792	2.9
89.02422	2.2
93.03494	1.9
101.02411	8.1
113.02468	3.5
121.02932	5.4
133.02887	2.0
135.04561	1.9
136.05266	4.4
139.04008	6.5
149.06073	1.8
150.06856	4.4
161.02428	3.7
161.04474	2.6
163.07645	5.9
163.11275	3.0
179.03436	1.7
179.10727	4.8
182.32382	1.9
197.41684	1.6
207.06580	3.8
207.10205	2.1
209.11815	100.0
210.12141	4.1
225.11349	3.5
227.12857	25.1
235.08150	4.1
253.09189	5.1
307.09067	2.1
315.19754	2.6
356.12604	3.3
357.13220	2.0
371.14890	9.5
445.20792	9.5
463.21609	1.9
492.34009	3.6
493.35632	8.1
517.24390	6.6
535.25500	30.7
536.25909	3.8
637.32355	2.1
646.30365	1.7
653.08325	1.9
673.34186	3.4
674.35376	2.1
697.41492	5.8
716.81104	2.3
741.35229	32.4
742.36609	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	741.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51528	0.4
57.03433	0.7
59.01376	3.9
61.98818	2.1
71.01373	4.0
72.99290	0.5
73.02946	1.0
80.02654	0.9
83.01379	0.6
83.05006	3.3
84.02152	0.5
85.02921	1.1
87.00890	0.6
87.62221	0.4
89.02432	2.8
95.01382	0.8
96.35377	0.4
101.02427	3.6
108.93791	0.4
112.12814	0.4
113.02473	2.0
119.03491	0.8
125.09712	1.3
127.11259	1.7
130.89867	0.4
145.05016	0.6
155.10759	0.9
161.02437	0.4
161.04555	1.7
163.11288	2.8
165.09213	0.7
165.12827	1.2
171.10271	0.9
179.05629	0.7
191.10689	0.8
191.24008	0.4
199.09769	0.6
201.11305	39.1
202.11658	2.0
209.11801	79.7
210.12151	5.2
225.11293	0.8
227.12866	10.2
228.13144	0.8
235.08165	6.6
253.09241	14.6
254.09650	0.7
277.21689	100.0
278.22043	11.0
306.57367	0.4
419.19080	0.7
437.20267	1.5
443.31409	0.9
445.20831	1.6
446.20981	0.6
461.32715	0.7
513.30798	1.7
723.96344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58830	0.1
57.03476	0.1
59.01377	1.1
60.96576	0.1
61.98825	100.0
64.41641	0.1
69.03439	0.2
69.40405	0.5
69.40833	0.5
71.01378	0.6
73.02956	0.1
83.01397	0.6
88.98808	0.6
96.96006	0.5
101.02441	0.4
111.00893	0.1
112.55013	0.1
117.03452	0.4
119.05069	0.2
121.03017	0.2
136.05293	0.2
145.02931	1.7
149.98972	0.1
153.21371	0.1
161.02451	0.3
163.04022	0.2
175.00407	0.2
190.02820	0.3
191.03119	0.3
192.03333	0.2
193.17023	0.1
205.05205	0.3
206.05440	0.3
207.10172	0.2
209.11842	0.2
260.18268	0.1
307.08380	0.5
315.19525	0.2
368.10632	0.2
369.11118	0.2
428.74295	0.1
494.25562	0.2
535.25433	0.7
536.25787	2.3
537.26080	0.3
679.23914	1.2
680.25061	0.3
742.27563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.98827	100.0
62.98542	0.2
64.55992	0.1
69.99220	0.2
69.99612	0.1
71.01407	0.2
73.02944	0.1
83.01385	0.1
87.00869	0.1
88.98817	0.2
95.01437	0.1
97.97349	0.1
101.02451	0.1
117.03459	0.2
133.02841	0.1
135.04553	0.1
136.39580	0.1
145.02940	0.5
151.03952	0.1
161.02510	0.2
163.04077	0.1
164.43353	0.1
179.03513	0.1
189.25441	0.1
191.56807	0.1
200.59850	0.1
209.11830	0.2
301.83057	0.1
307.08340	0.2
454.40561	0.1
651.21118	0.1
679.23615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39566	0.6
59.01379	3.5
60.99304	22.7
61.30323	0.6
61.98826	0.8
71.01366	2.8
71.10384	0.8
71.10721	1.1
73.02942	1.1
82.48082	0.6
85.02956	0.7
88.98800	100.0
89.99148	0.8
93.03455	0.6
101.02460	1.7
101.84600	0.7
102.02825	0.8
109.02959	2.0
115.03941	0.9
117.03505	0.8
117.07178	0.7
123.04530	4.2
132.02177	1.1
133.01935	1.2
133.02948	24.5
134.03729	1.2
135.04520	24.7
136.04793	1.0
149.06065	1.5
150.03230	4.7
151.02882	1.1
151.04012	11.1
161.02432	81.1
162.02759	3.5
163.03894	0.7
174.59492	0.7
175.03958	2.0
177.05511	3.4
179.03485	22.8
180.03761	1.0
193.05040	0.7
203.03461	8.0
215.03471	0.8
221.04584	2.4
233.04514	0.8
255.38362	0.7
285.52573	0.7
300.02817	2.1
301.03503	1.6
427.12311	0.9
487.14536	5.7
543.72095	0.7
569.30145	0.8
609.14862	3.0
610.15155	1.2
621.09790	0.6
621.18164	38.3
622.18573	6.8
653.20825	62.6
654.21155	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	743.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65499	0.7
54.59227	0.7
57.03447	1.5
58.00589	4.9
59.01377	100.0
60.01699	1.4
60.87366	0.7
61.52087	1.1
61.98823	6.0
65.03953	1.7
68.99809	1.4
69.03450	1.1
71.01379	69.8
71.53261	1.0
72.01728	1.0
72.99304	7.3
73.02937	1.9
81.46538	0.8
83.01390	3.4
85.02950	11.2
87.00880	3.4
89.02441	83.9
90.02757	1.3
93.03443	2.4
94.76389	0.9
95.01392	5.6
96.95979	0.9
97.02940	1.1
101.02436	35.7
107.58058	0.7
108.02184	3.1
109.03012	1.0
113.02448	24.6
119.03498	33.2
120.03919	1.0
121.02939	3.3
122.03751	5.6
123.00867	1.6
123.04549	4.7
125.02418	1.7
131.03488	3.6
133.02965	2.9
134.03775	1.1
135.04532	5.5
137.02441	0.9
138.03224	2.1
139.04013	3.8
143.03505	6.7
149.02422	6.6
149.04514	2.9
150.03215	25.4
151.03627	1.1
153.05611	1.0
161.02435	6.8
161.04529	5.2
162.03223	4.1
163.04033	1.2
164.04741	1.3
165.05568	24.5
174.03224	0.8
175.03995	4.0
177.05557	5.2
178.02693	3.0
179.03720	3.7
179.05608	13.6
179.07074	1.2
180.04254	1.2
185.11815	10.3
190.06352	1.4
193.05046	8.5
195.06627	18.5
196.06894	1.1
205.08798	0.8
209.04588	1.7
222.05208	0.8
238.06094	0.9
266.05969	1.9
278.05756	2.2
283.35184	0.8
293.08084	1.1
294.05331	3.2
306.05316	2.4
307.06006	2.2
308.06924	1.7
309.07715	8.4
310.08029	1.3
320.06699	1.6
321.07721	6.3
322.08365	1.1
323.09149	4.0
336.09927	1.7
337.07144	21.5
337.10394	0.8
338.07535	3.4
339.08652	2.2
352.09509	10.1
353.10184	6.2
354.10794	1.8
367.11807	52.7
368.12317	5.4
369.13324	2.2
385.12628	2.2
389.10751	1.0
395.11441	1.0
434.02661	1.0
468.55450	0.9
515.17163	11.1
516.17316	2.1
533.17560	1.9
536.31500	2.2
537.31757	1.2
563.19244	6.7
564.19495	1.0
568.97864	0.9
581.19653	1.0
639.30682	1.0
681.21686	0.8
713.22247	1.5
725.20898	2.1
743.25604	10.3
744.25891	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	743.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.6
59.01364	0.5
62.67301	0.4
70.82317	0.7
70.82644	0.7
71.01382	0.5
72.36029	0.4
83.01379	84.3
84.01714	1.9
93.03461	1.5
110.29057	0.4
110.63744	0.4
121.02945	27.7
122.03221	0.8
123.00892	3.6
125.91337	0.4
136.05284	32.9
137.05659	1.0
138.03221	1.8
147.04482	1.1
156.46500	0.5
161.06049	0.8
168.04263	8.3
169.04671	0.5
180.80334	0.4
206.06451	0.4
235.09729	3.4
312.13394	0.6
352.59271	0.4
356.12616	7.4
357.12906	1.5
371.14926	100.0
372.15262	13.8
493.18488	0.5
573.90656	0.5
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
55.01878	0.7
57.03438	0.8
58.00586	0.3
59.01375	100.0
60.01714	1.0
61.98831	0.6
63.22120	0.3
64.25175	0.2
68.90897	0.2
71.00235	0.5
71.01377	13.3
72.01740	0.4
72.99316	0.5
73.02938	4.2
83.01389	2.2
85.02939	6.2
85.86341	0.2
87.00883	0.7
89.02444	2.2
95.01396	1.1
99.00860	1.8
101.02435	9.7
102.02774	0.3
102.82655	0.3
108.02169	1.2
113.02443	5.5
119.03496	0.6
121.02934	0.3
125.02456	0.6
129.01962	0.3
131.03517	0.2
133.01479	0.3
135.04559	0.8
138.01936	0.5
143.03484	0.6
149.28508	0.2
159.02995	1.2
161.02498	0.6
161.04552	6.3
165.05571	0.3
175.03935	0.3
179.05620	0.3
181.01797	0.6
191.05676	0.2
201.12875	0.3
203.10725	1.5
247.09731	0.5
269.10272	11.9
270.10696	1.0
270.41312	0.3
290.86002	0.2
300.48596	0.2
311.11356	8.8
312.11835	1.1
315.10825	0.6
387.20197	3.8
388.20810	0.3
483.62894	0.3
545.20819	0.4
563.21429	1.2
639.28723	1.9
657.30261	1.1
699.30908	0.6
743.28265	1.9
744.28619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70005	26.5
53.70187	26.5
61.98822	94.5
63.16933	24.1
69.91004	100.0
78.95891	40.4
84.56884	27.1
91.83974	27.7
237.80377	29.6
277.21658	60.9
400.35150	29.9
437.65262	26.7
474.26306	27.2
501.95953	28.3
589.21606	29.2
738.70624	30.4
743.43536	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35826	0.4
59.01373	1.9
61.98828	100.0
70.81921	0.7
70.82239	0.9
71.01396	1.3
73.02956	0.5
78.04543	0.5
83.01402	1.7
85.02932	0.8
96.96014	0.5
98.60207	0.4
101.02440	0.8
107.04961	0.5
108.02169	0.7
109.02986	1.2
113.02388	0.7
117.03503	0.8
119.05057	0.6
121.02973	1.1
122.03749	0.5
123.04489	0.7
132.02177	1.7
133.02951	26.6
134.03706	2.0
135.04521	22.0
136.01651	8.7
137.02432	0.9
147.04555	1.0
149.02457	0.7
149.06038	0.9
151.03998	7.6
152.04483	0.6
159.04539	0.9
161.02432	80.9
162.02774	3.8
163.03903	0.5
165.05540	0.5
173.06200	0.6
175.04045	1.3
177.05540	3.2
179.03496	15.1
180.03818	0.6
191.07210	0.6
193.05084	1.4
203.03484	1.4
221.04466	2.4
263.05490	0.6
280.05899	0.9
280.49396	0.7
313.10809	1.4
323.07672	12.8
324.08096	1.3
327.12402	1.5
342.10834	0.6
343.12042	1.3
357.13440	1.7
360.47580	0.4
522.73560	0.6
647.65045	0.5
681.21826	78.8
682.22137	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.7
60.99294	1.7
61.98834	5.6
65.03944	1.5
65.89880	0.7
68.99807	2.5
71.01377	7.4
71.44971	1.3
73.02932	1.3
83.01372	5.9
85.02947	1.6
87.00845	0.9
88.98804	8.7
89.02448	8.0
92.32809	0.8
93.03443	3.1
95.01366	1.1
96.95983	0.9
99.38850	0.8
101.02465	4.3
103.96208	0.8
108.02164	5.2
109.02913	2.2
113.02438	3.3
117.03508	1.0
119.03494	1.9
119.05009	3.9
121.02942	5.4
121.55818	0.8
122.03748	15.0
123.00854	2.2
123.04581	4.6
132.02180	1.9
133.02943	3.1
134.03735	1.3
135.04465	3.0
136.01663	10.4
137.02509	2.1
138.03186	2.9
139.04002	2.5
147.04501	2.2
149.01295	1.2
149.02434	18.5
149.06044	1.0
150.03218	91.4
151.00346	2.8
151.03995	11.9
152.04727	1.1
161.01288	0.8
161.02478	5.4
162.03258	6.5
163.03978	4.8
164.04770	4.3
165.05559	100.0
166.02708	6.5
166.05905	5.1
167.03386	1.0
175.03963	1.3
177.01837	1.0
177.05553	10.1
178.02715	4.4
178.05896	1.2
179.03358	1.7
179.07170	0.9
180.04279	6.5
181.05022	9.1
192.04265	0.8
193.05046	10.4
194.05478	0.8
195.06609	96.9
196.06929	4.0
209.11868	0.9
279.73660	0.8
293.65298	1.1
341.10159	3.6
356.12396	1.9
357.09592	2.1
357.13370	7.2
367.11752	1.1
369.13025	1.1
371.15042	2.2
372.11917	4.4
373.12875	1.1
385.12811	1.0
387.14450	38.4
388.14868	4.4
398.54840	0.8
441.15277	1.0
535.12158	1.1
535.19733	14.0
536.20294	2.0
547.19769	3.0
553.20691	1.7
565.20557	7.8
566.21069	1.7
583.21814	29.2
584.22125	5.9
655.25604	1.5
715.24084	1.2
745.26892	12.5
746.26904	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	745.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03430	0.9
58.00586	4.0
59.01374	100.0
60.01703	1.0
61.98819	2.4
71.01374	72.3
71.53702	0.6
72.01704	1.7
72.83350	0.5
72.99301	5.6
73.02932	1.3
77.52490	0.5
83.01387	3.0
85.02937	10.7
87.00871	3.7
89.02435	79.9
90.02761	1.5
93.03426	1.5
95.01383	4.5
99.04549	0.5
101.02431	37.2
102.02789	0.8
105.91217	0.5
113.02440	28.0
114.02753	0.8
119.03489	35.2
120.03759	0.7
121.02943	2.9
122.03726	6.1
125.02423	1.0
131.03505	3.5
132.02161	0.7
133.02907	0.8
135.20435	0.5
136.01590	0.7
143.03499	6.7
149.02440	9.8
149.04451	3.6
150.03207	32.8
151.03735	0.9
157.22787	0.6
160.01544	0.6
161.02435	0.9
161.04567	5.8
164.04741	1.2
165.01918	1.1
165.05551	28.4
166.05800	0.9
177.05516	1.1
179.05592	13.4
179.07053	0.8
180.04318	2.6
180.05708	0.6
195.04881	1.2
195.06604	20.4
196.06854	1.1
196.75037	0.8
203.06976	0.7
225.07693	0.8
240.07834	0.8
252.38809	0.5
255.10196	0.6
268.07184	1.8
280.07275	1.5
283.09540	1.6
295.65479	0.5
295.68457	0.6
296.06720	1.2
308.06613	1.8
309.07474	1.5
311.09009	1.9
312.09418	0.6
321.07492	0.9
322.08096	1.0
323.09024	3.8
324.06201	1.4
324.09805	1.6
325.06900	0.6
337.10696	0.8
338.11414	1.0
339.08710	13.5
340.08868	2.2
354.11105	6.4
355.11295	0.8
357.13181	0.9
369.13382	28.5
370.13852	3.2
517.18597	9.4
518.18451	2.1
535.19482	0.9
565.20477	0.9
583.21075	1.7
713.21045	0.8
745.27673	4.8
746.25745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
58.00591	1.8
59.01376	45.4
61.98828	5.7
69.60863	1.8
69.61275	2.5
71.01378	33.4
72.99306	1.7
73.02971	0.7
75.00891	0.7
83.01387	1.9
84.95887	0.8
85.02939	5.4
86.97019	0.7
87.00890	1.7
89.02439	41.3
90.02790	0.7
92.72224	0.7
93.03479	3.7
95.01397	3.0
101.02437	17.7
107.05071	0.9
108.02130	1.1
109.02934	1.0
110.19879	0.6
113.02449	12.4
119.03493	17.4
121.02952	9.1
122.03737	15.3
123.00939	1.2
123.04555	1.2
124.01670	1.4
125.02396	1.9
131.03474	2.2
133.02930	1.6
135.04526	7.2
136.01656	14.6
136.28323	0.7
137.02461	2.2
139.04054	1.3
143.02562	0.7
143.03485	3.9
146.35913	0.6
147.04532	0.8
149.02432	24.7
149.04546	2.0
150.03215	93.2
151.00366	3.1
151.04001	18.6
152.01157	0.9
152.04352	1.2
153.20251	0.6
159.04585	0.8
160.05249	0.8
161.02487	1.9
161.04559	3.2
161.05992	0.9
162.03139	0.8
163.03967	2.0
164.04796	6.0
165.05556	100.0
166.02727	10.5
166.05869	5.3
167.03435	1.8
168.00615	0.7
168.63136	0.6
172.05362	1.0
175.03990	2.7
176.04692	0.7
177.01900	1.0
177.05566	2.0
179.03433	0.7
179.05630	5.8
179.07069	1.2
180.04305	6.9
181.05035	13.0
189.05579	3.0
190.02692	0.7
190.06306	4.2
191.03662	0.7
195.06609	64.8
196.06909	3.4
205.08742	0.9
207.06535	0.9
264.01483	0.8
268.07501	1.9
282.33612	0.7
296.06900	1.1
308.06845	1.6
311.09329	1.0
315.08356	0.9
322.08411	0.7
323.09207	2.1
324.06195	1.3
324.09802	1.0
329.10385	1.7
339.08707	9.2
339.12390	0.8
340.09186	1.5
341.10178	0.7
342.10748	1.1
343.17365	0.7
354.10950	3.8
356.12286	1.1
357.09653	2.7
357.13431	8.0
358.13876	0.8
369.13397	18.8
370.13541	2.4
372.12106	2.9
373.12506	1.6
386.13593	1.2
387.14459	35.8
388.14825	4.0
403.19553	0.8
505.18735	1.6
517.18744	0.9
520.17310	1.0
535.19672	38.4
536.19965	7.0
544.80151	0.7
553.20660	0.8
565.20697	3.1
566.21741	0.7
583.21808	38.5
584.22083	8.5
618.82477	0.7
745.26093	1.7
746.26898	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	745.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	8.5
59.62747	0.7
60.99314	1.8
61.04790	0.7
61.98823	10.1
65.03951	1.6
68.99796	1.6
69.14272	7.9
71.01375	4.9
73.02929	1.0
83.01393	6.8
85.02946	2.0
87.00854	0.8
88.98791	12.4
89.02431	4.1
93.03458	3.1
95.01334	1.0
95.82034	0.8
96.95969	1.0
99.00941	0.9
101.02441	3.6
102.63939	0.7
108.02172	3.1
109.02925	1.7
113.02401	1.8
119.03529	2.0
119.05033	5.4
121.02958	6.2
121.06590	0.8
122.03732	13.2
123.00862	1.6
123.04568	3.7
124.01709	1.1
125.02358	0.8
132.02188	0.9
133.02933	2.9
133.62302	0.8
134.03712	1.6
135.04512	2.2
136.01656	11.1
137.02419	3.4
138.03232	2.2
139.04005	4.3
140.58376	0.7
145.03098	0.9
147.04495	2.2
149.02434	17.5
149.06071	1.1
150.03214	90.5
151.00388	1.7
151.04025	13.2
152.04718	0.8
153.05418	0.8
159.04532	0.7
161.02438	4.2
161.06032	1.5
162.03206	3.5
163.04001	4.8
164.04764	4.9
165.05554	100.0
166.02679	6.1
166.05891	5.4
167.07091	0.8
175.03983	3.4
176.04765	1.0
177.01956	1.3
177.05521	4.7
178.02718	2.3
179.03497	1.3
179.05563	1.1
180.04292	6.1
181.05057	10.4
183.06567	0.8
186.48082	1.0
190.06314	1.1
192.04233	0.8
193.05038	5.9
195.06606	92.3
196.06943	4.5
209.04494	1.0
221.08168	0.9
224.26877	0.8
251.90959	0.7
267.30661	0.8
283.09836	0.8
285.11267	0.9
297.07672	1.2
300.10196	1.5
309.07742	0.8
311.12820	0.9
341.10120	1.8
341.13904	1.4
342.11014	1.0
343.11771	0.7
355.11853	1.3
356.12604	1.1
357.09647	2.9
357.13477	8.1
358.13797	0.8
371.14996	1.4
372.12057	6.3
373.12759	2.2
374.71509	0.8
385.13382	0.8
387.14453	39.4
388.14828	5.7
441.15649	2.4
535.19794	11.4
536.20258	2.9
547.19800	2.8
553.20697	1.1
565.20520	6.9
566.21222	1.0
583.21802	32.8
584.22101	7.7
655.26465	2.4
715.23535	0.9
745.26959	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	745.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03431	2.7
58.00572	5.3
59.01374	99.2
61.98818	4.8
69.03436	1.6
69.40530	11.7
71.01377	61.2
72.99297	3.4
73.02943	3.5
80.46288	1.5
81.03461	2.8
83.01373	3.0
83.05015	4.1
85.02953	12.9
87.00842	2.7
89.02440	48.1
93.07078	1.8
95.01381	5.5
95.04957	2.5
95.49029	1.6
97.02920	6.9
99.04501	6.5
99.12099	1.4
101.02435	33.4
107.05013	5.5
108.02170	57.3
109.02941	4.8
111.00808	2.0
111.04495	6.4
113.02448	26.0
119.03490	21.3
123.04507	2.8
134.03708	3.6
135.04510	30.5
143.03490	4.1
147.11746	1.9
153.05551	11.3
157.06564	2.3
161.02364	3.4
161.04572	4.6
161.13347	17.8
175.11357	1.7
179.05582	4.4
180.90916	1.5
185.09700	2.8
185.13333	6.1
187.11273	52.9
188.11588	4.1
203.14398	4.2
205.12279	19.4
205.14050	1.6
219.13884	3.5
219.30449	1.5
229.12386	10.5
230.12909	1.5
231.10172	3.5
247.13319	9.1
249.11276	10.1
291.12296	3.1
297.09753	2.4
305.56302	1.6
307.15375	2.0
315.10843	30.6
351.14554	1.8
411.16367	4.0
503.22800	4.5
504.23105	1.8
544.67303	1.6
547.21790	50.1
548.22144	8.0
565.22827	88.7
566.23236	16.0
726.36456	2.0
727.17938	1.1
727.28027	42.0
728.28455	9.8
745.29156	100.0
746.29584	25.7
779.66986	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15259	0.9
52.61747	0.9
55.01870	1.5
58.00582	2.8
59.01075	1.7
59.01377	48.2
61.98827	100.0
69.03436	0.9
71.01382	35.2
71.52860	1.1
71.53255	1.4
72.01714	1.3
72.99312	3.5
73.02944	2.0
83.01390	2.3
83.04993	1.8
85.02959	6.0
87.00884	1.7
89.02441	22.7
93.03460	1.3
95.01391	2.0
95.05011	1.4
96.96011	6.2
97.02927	2.3
99.04523	3.1
101.02431	17.6
101.55592	1.2
107.04996	3.8
108.02170	33.6
109.02999	1.3
111.04496	4.6
113.02441	13.1
119.03519	8.0
123.04505	1.9
129.33762	1.0
133.02945	1.9
134.03688	1.4
135.04523	16.0
143.03516	2.1
149.02412	1.3
150.03253	2.2
153.05573	5.7
161.02438	7.6
161.04520	1.4
161.09750	1.3
161.13347	6.1
165.05557	2.2
167.96463	1.0
179.05600	2.4
185.13422	2.1
187.11252	21.7
191.05617	3.4
195.06673	1.8
203.14383	2.0
205.12363	10.0
225.99200	1.1
229.12393	5.8
231.10146	1.2
247.13359	3.4
249.11272	3.9
291.12451	1.5
315.10904	8.6
463.59335	1.0
528.88416	1.2
535.18970	1.4
547.21759	17.0
548.21820	2.5
559.46674	1.2
565.22858	65.7
566.23401	10.6
709.19873	1.1
727.27826	7.2
745.29260	71.6
746.29626	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	746.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
61.98824	100.0
62.98516	0.1
71.01376	0.1
83.01382	1.1
84.01705	0.1
87.16899	0.1
89.60436	0.1
95.05061	0.1
99.04530	0.3
101.02414	0.1
103.25849	0.1
116.92815	0.1
121.02930	0.4
123.00858	0.1
136.05351	0.4
141.05550	0.1
149.02449	0.6
150.02815	0.2
151.04076	0.2
207.10339	0.1
229.27074	0.1
237.37764	0.1
275.84467	0.1
343.97046	0.1
371.14911	1.1
372.15231	0.8
373.15656	0.1
374.16467	0.1
405.01248	0.1
413.10779	0.1
426.35483	0.1
440.23511	0.1
539.28540	0.2
540.28925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74170	1.1
59.01376	12.3
60.99005	1.5
60.99302	17.4
61.98820	3.2
82.53934	1.0
87.00877	3.7
88.98800	100.0
89.02436	20.8
89.02986	0.6
89.99165	1.0
98.19895	3.5
121.25640	0.9
133.02989	1.6
161.02417	4.6
179.03448	1.1
198.51936	0.9
214.04184	0.8
229.49805	1.1
247.26581	0.8
281.24945	0.9
307.47064	1.0
311.82544	0.9
397.13242	1.2
407.15167	1.8
457.18787	2.4
469.19144	1.4
481.11200	1.3
495.16260	3.0
496.13641	9.2
497.14322	5.6
497.20975	1.1
498.15231	2.7
499.16016	1.5
510.15051	2.0
511.16043	4.3
512.16058	2.2
513.17688	4.1
514.18396	1.9
523.16388	1.9
524.16644	1.4
526.14789	3.6
527.15070	1.2
539.18860	1.2
541.20953	1.6
544.15936	5.1
545.16565	1.7
567.18646	3.5
568.19000	1.6
569.17017	2.8
570.14801	1.5
571.18359	29.1
572.18732	8.6
596.19470	6.3
597.19751	5.7
598.20618	2.0
599.21515	18.8
600.21906	6.4
601.23126	10.6
602.23218	2.3
612.18451	10.7
613.18793	3.6
614.20251	2.9
615.22229	2.1
615.72119	1.3
627.20789	3.6
628.18988	2.8
631.23907	4.6
632.21814	1.4
646.19379	1.1
655.20245	11.7
656.20575	2.9
657.21979	5.7
658.22620	3.0
672.20880	19.1
673.21082	6.2
675.23114	21.3
676.23438	8.0
687.23175	6.6
688.24115	1.5
747.23645	6.7
747.35571	2.9
747.85718	1.8
748.25116	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	747.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79073	1.7
58.66007	1.9
59.01377	26.3
61.98828	100.0
66.72099	2.0
71.01387	7.0
71.53159	2.5
73.02940	5.5
83.01393	6.9
83.05003	2.4
85.02969	4.6
87.01866	1.9
88.98781	4.4
89.02459	3.0
96.96000	7.5
98.52975	1.9
99.00887	3.0
99.04480	2.6
101.02419	4.7
113.02451	3.2
119.03514	2.5
121.02957	3.8
127.03979	8.5
133.02969	2.8
135.04546	3.1
136.01605	2.6
137.02483	2.0
139.03943	2.5
141.45352	2.2
148.30821	2.0
150.03268	2.4
151.04105	2.4
161.02428	6.2
164.76993	2.1
165.05563	5.7
166.57834	1.9
179.03461	2.3
185.11731	2.5
209.11768	2.8
265.44891	2.4
357.13361	5.3
371.14929	3.5
478.83429	2.8
505.18396	2.9
519.19983	9.3
523.28772	2.5
531.20013	7.5
541.29626	10.1
599.38025	3.9
666.24463	2.5
685.38348	3.2
703.38562	5.9
747.23236	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	747.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	26.1
60.99051	1.5
60.99306	16.6
61.98798	3.7
69.37402	4.6
69.37823	4.4
71.01370	2.2
74.82752	1.2
87.00847	2.8
88.00436	1.2
88.98795	100.0
89.02437	22.4
133.02936	1.8
137.45163	1.4
161.02487	6.3
179.03445	2.9
333.17053	1.4
383.81747	1.6
407.15176	2.5
457.19458	1.4
469.19003	1.6
473.18652	1.7
479.16818	1.7
483.12814	1.5
495.16489	5.4
496.13470	8.3
497.14352	6.4
497.21460	2.3
498.15002	3.5
499.16278	2.0
502.15558	1.3
510.15454	1.8
511.16125	4.9
512.17224	1.9
513.17963	2.9
514.17920	2.5
523.16449	6.7
524.16333	2.8
526.14856	7.4
527.15381	4.8
530.13794	1.8
539.19208	1.7
541.20740	2.2
544.16010	6.0
545.16034	3.0
567.18781	6.3
568.18695	1.7
569.16699	8.3
570.15308	3.9
571.18396	31.4
572.19019	9.7
573.19312	1.5
596.19031	15.0
597.19635	17.1
598.19421	2.9
599.21497	22.8
600.21887	8.0
601.23047	27.0
602.23242	6.6
612.09399	2.2
612.18530	24.6
613.18713	7.8
614.20026	5.4
615.21564	1.9
627.21063	7.2
628.18658	5.4
629.17212	1.7
631.24182	8.0
632.22632	2.2
655.20306	24.8
656.20172	7.6
657.21429	6.9
658.22028	2.8
672.20673	42.7
673.20984	12.3
675.23016	22.6
676.23102	7.6
687.23108	15.0
688.22845	5.6
747.24084	12.8
747.35443	3.5
747.84717	2.4
748.25220	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	747.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03978	0.4
52.69987	0.4
59.01376	100.0
60.01711	0.9
75.00866	0.4
92.17321	0.5
109.36452	0.5
112.98595	0.6
178.16217	0.4
452.11212	0.6
453.36700	0.6
454.09079	0.7
455.17270	3.0
456.17279	0.9
467.13593	0.9
469.11615	1.1
473.18408	4.4
474.19095	0.8
483.12988	1.4
485.15262	0.6
496.13687	2.6
497.12756	0.8
509.14252	0.5
510.15375	0.7
511.16302	1.1
512.13232	9.3
513.13593	2.8
525.13922	1.1
526.14948	11.5
527.15295	3.4
539.23083	0.5
569.16742	1.4
570.17603	0.6
586.17218	0.9
599.17340	1.3
600.18378	1.2
601.19305	3.4
602.19586	1.0
613.19275	1.9
614.20135	75.5
615.20367	21.7
618.16107	0.7
632.17474	1.4
633.17450	0.7
646.19147	7.4
647.19592	2.4
673.21478	0.9
687.23114	4.5
688.23517	1.8
747.25159	61.5
748.25397	24.7
748.39349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
58.00583	3.8
59.01376	74.0
61.98813	6.4
66.63691	1.6
69.52766	3.2
69.53168	5.3
71.01378	46.7
72.99307	3.1
73.02930	5.6
83.01374	3.3
85.02942	13.1
87.00880	3.5
89.01934	2.7
89.02441	31.6
93.03437	1.9
95.01386	3.5
96.96005	16.2
98.20623	3.4
99.04494	6.0
101.02439	25.4
102.92660	1.6
107.05020	2.9
108.02168	3.7
109.06594	2.9
111.00893	4.3
111.04510	2.6
113.02447	22.2
119.03503	12.4
125.06050	3.6
133.06587	1.9
135.04536	3.0
135.08150	5.6
142.06657	1.6
143.03467	2.8
149.04509	1.9
150.03226	2.0
150.43524	1.6
153.09151	3.3
155.07172	2.5
157.06564	1.8
157.08701	3.6
161.02501	2.4
161.04543	6.0
161.13356	17.7
165.05550	2.4
179.05600	5.5
179.07095	2.0
185.13329	1.9
187.11267	42.6
188.11598	4.1
191.05539	3.7
197.08191	2.6
203.14462	1.5
205.12338	21.9
206.12697	2.0
219.13950	1.8
229.12286	5.7
231.10249	5.8
247.13364	3.8
248.44304	1.6
249.11336	8.7
291.12375	2.1
317.12589	9.6
319.14008	2.0
341.12320	3.0
401.14459	8.2
478.53217	1.7
499.21942	8.9
505.24063	4.3
549.23419	23.2
550.23663	3.1
567.24396	76.1
568.24695	13.9
582.56451	2.1
729.29694	20.1
730.29785	4.5
747.30823	100.0
748.31097	25.5
766.08136	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	748.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
61.98827	100.0
62.98534	0.1
69.60644	0.2
69.61052	0.3
71.01378	0.2
71.50318	0.1
73.02952	0.1
74.29592	0.1
83.01394	0.2
85.02959	0.2
93.67691	0.1
96.95969	0.1
98.20679	0.2
127.04025	0.4
128.04362	0.1
134.97804	0.1
135.04558	0.3
136.01651	0.7
137.01990	0.2
141.79324	0.1
151.03999	0.8
152.04370	0.3
161.02470	0.3
165.05652	0.1
179.03488	0.5
185.11807	0.4
186.12224	0.2
213.14879	0.4
276.29764	0.1
357.13406	1.0
358.13721	0.9
378.15149	0.1
457.74329	0.1
487.14584	0.1
516.32202	0.1
580.45746	0.1
652.19983	0.2
704.39746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	22.5
60.88319	1.4
61.64476	1.3
61.98832	8.8
63.85970	1.2
65.03931	1.1
65.95656	1.1
69.39104	3.7
69.39507	5.1
71.01380	12.6
72.64700	1.1
73.02923	4.8
80.44497	1.3
80.96509	2.1
83.01382	8.2
85.02921	4.8
87.00859	3.5
89.02421	4.8
93.03442	1.5
98.19870	1.5
101.02451	9.6
104.91048	1.4
109.02926	5.1
111.00839	2.8
113.02445	6.1
117.03480	1.6
119.03477	2.0
121.02980	6.9
122.03802	1.6
123.04504	4.3
124.35674	1.3
125.02464	3.5
131.03462	2.0
132.02159	3.0
133.02939	39.2
134.03699	5.0
135.04510	44.5
136.04884	1.6
137.02406	2.7
143.03467	2.8
146.95135	1.4
149.02435	9.3
149.06052	3.0
150.03230	10.9
151.03917	7.2
153.01917	1.5
159.04468	2.4
161.02428	100.0
162.02716	6.8
165.05498	1.9
172.05251	3.5
175.03908	5.3
177.05554	5.4
178.02626	2.0
179.03491	45.5
180.03909	2.3
181.04991	1.4
187.03983	2.1
187.07628	25.8
189.05515	5.7
193.05032	2.1
198.44695	1.3
200.04747	2.2
201.05371	2.2
202.06247	1.8
203.03481	17.5
203.07156	3.1
204.03934	1.4
213.09135	2.6
215.07106	7.9
221.04469	3.8
227.03415	2.7
229.08611	3.1
231.06577	14.8
231.10095	2.6
233.04547	2.6
244.72633	1.3
245.08290	1.4
251.05583	1.7
257.08151	13.3
273.07629	1.9
275.09277	2.6
336.80554	1.3
357.13098	1.3
371.15027	3.3
383.42166	1.3
422.86154	1.4
427.12546	2.2
469.13138	2.7
487.14526	25.8
488.14780	3.7
539.16998	1.4
583.20349	2.1
587.23737	2.2
645.34558	2.2
651.19208	2.9
652.20013	30.4
653.20667	6.2
659.27478	1.7
661.21051	3.9
663.35901	1.9
673.21222	6.9
673.37854	1.6
674.21716	2.1
705.24335	8.4
705.35577	2.0
717.24139	13.6
718.24292	2.4
743.16553	1.6
749.26007	35.1
750.27087	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	749.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33684	0.6
59.01376	11.1
61.98831	5.9
66.62981	0.6
69.03444	0.6
71.01387	9.9
71.01771	1.7
72.99300	1.4
73.02949	4.2
78.98586	0.6
79.06522	0.6
79.95714	1.1
80.96514	6.2
83.01393	0.9
84.02102	0.7
85.02941	3.5
87.00864	2.8
87.04482	0.7
88.35242	0.6
89.02448	4.6
93.03471	0.7
94.98099	1.7
97.02943	1.0
101.02451	5.0
105.03503	0.7
109.02954	3.1
111.00867	1.0
113.02441	3.2
117.03437	0.7
119.03481	2.0
121.02943	8.1
123.04498	0.8
125.02419	1.3
131.03479	0.9
132.02161	2.4
133.02953	34.5
134.03801	5.5
135.04514	42.4
135.75159	0.6
136.04834	1.9
137.02434	4.1
138.22675	0.6
139.03955	1.2
143.03476	1.8
147.04489	1.0
148.05275	1.0
149.02435	9.7
149.06062	4.9
150.03212	4.7
151.03990	1.5
157.08745	0.6
160.01651	1.3
161.02426	100.0
162.02734	3.9
164.98618	0.9
165.05566	0.9
174.03217	2.4
175.03935	4.2
175.07625	0.8
177.05577	7.6
178.02724	1.7
179.03485	44.6
180.03781	1.9
187.07703	1.2
189.05585	1.6
193.04990	1.5
200.04794	1.2
201.05518	0.7
202.06448	0.8
203.03481	20.9
203.07161	1.9
204.04002	2.5
205.07263	0.8
207.06689	0.7
210.65230	0.6
215.07086	1.8
221.04573	4.7
225.00752	2.6
233.04553	2.2
251.05688	0.9
257.08069	1.5
275.09268	0.8
357.13318	0.8
397.11539	1.1
427.12332	6.6
449.44666	0.8
450.74069	0.7
469.13455	1.2
486.13977	1.1
487.14499	38.7
488.14923	4.8
507.14951	1.2
529.93488	0.7
637.18060	1.2
645.34821	3.5
646.35284	0.8
651.19153	4.3
652.20001	55.2
653.20349	10.3
663.35797	1.6
699.22540	0.7
705.37134	1.2
717.23914	6.8
718.25317	1.0
731.25861	1.2
749.32050	9.7
750.32538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
61.98825	100.0
71.01376	0.4
71.28070	0.2
87.00901	0.2
89.02441	0.3
96.95999	2.7
99.04546	0.3
113.02453	0.3
115.00381	0.1
125.11274	0.2
133.02953	0.2
156.69968	0.1
159.92432	0.2
161.02483	0.4
192.75049	0.1
205.12297	0.2
215.01096	0.2
231.86446	0.2
249.11232	0.2
412.92307	0.2
478.38968	0.2
491.15598	0.5
532.95172	0.2
569.26666	0.3
570.26605	0.4
750.32892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
60.01709	0.1
61.98826	100.0
62.98527	0.2
62.99249	0.1
66.80032	0.1
73.97075	0.1
99.45011	0.1
120.65461	0.1
166.77367	0.1
183.15781	0.1
244.30269	0.1
265.08630	0.1
392.27728	0.1
427.47501	0.1
437.06372	0.1
514.13635	0.1
515.13696	0.1
528.00287	0.1
529.15411	0.1
615.20044	0.1
616.19983	0.2
617.20209	0.9
618.20612	0.1
649.19556	0.1
715.08923	0.1
750.23303	2.5
751.23016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68611	0.2
59.01374	0.5
61.98824	100.0
71.52262	0.2
72.99300	0.2
79.24548	0.1
88.98811	0.5
89.02445	0.1
96.95976	0.3
133.02914	0.2
161.02463	0.5
173.06169	0.1
177.03644	0.1
224.33780	0.1
245.07884	0.1
264.08682	0.1
303.44189	0.1
453.20157	0.2
506.09418	0.1
542.98328	0.1
572.16064	0.2
599.19598	0.2
604.23828	0.2
658.20642	0.3
675.21289	0.4
749.85492	0.3
750.23212	0.6
750.34790	0.3
751.22809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87262	0.4
55.01896	0.5
57.03439	0.7
59.01378	15.4
61.59983	0.4
65.03957	3.5
69.03438	0.8
69.04379	0.4
71.01381	11.3
71.01784	0.8
72.99293	0.9
73.02927	0.5
85.02953	2.1
87.00876	6.9
89.02440	10.0
93.03452	9.2
95.01390	0.7
95.05032	1.5
101.02436	4.8
103.05533	0.7
106.04230	0.4
107.05003	1.0
113.02448	5.2
119.03472	2.5
119.05013	1.5
121.06581	11.4
122.06919	0.6
125.06075	72.3
126.06406	3.1
137.06065	0.5
139.04001	1.4
151.07639	25.1
152.07933	1.1
161.04552	0.8
165.05568	0.7
169.07300	0.8
169.08691	12.0
170.09033	0.8
179.05617	1.2
183.06543	0.6
195.06601	1.4
203.59541	0.4
213.07661	53.9
214.08003	3.1
315.10800	0.5
327.05130	0.4
345.11670	0.6
361.11301	1.7
375.12915	100.0
376.13272	10.0
389.10904	2.6
407.82196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03433	0.5
59.01375	100.0
60.01709	1.3
61.98825	21.2
61.99170	0.4
63.99247	0.3
69.03456	0.9
69.18800	2.0
71.01379	10.2
72.99313	0.3
73.02942	3.4
83.01398	1.6
83.87210	0.2
84.02122	0.2
85.02941	5.0
87.00883	0.4
89.02444	1.1
95.01398	1.0
96.95998	1.9
97.02961	0.3
98.19917	0.4
99.00881	1.8
101.02434	6.3
102.02786	0.3
113.02441	4.9
113.84271	0.2
125.02460	0.3
127.11297	0.4
129.02029	0.2
133.02954	0.9
135.04521	0.6
143.03502	0.4
147.33791	0.2
158.87653	0.2
159.03011	0.7
161.02423	2.2
161.04538	3.0
162.02745	0.4
179.03525	0.8
185.00981	0.4
209.11833	0.6
283.88861	0.2
289.16544	11.1
290.16904	0.6
331.17520	4.2
331.21143	0.3
332.18121	0.4
547.21478	0.2
564.57092	0.2
577.65344	0.3
647.36859	0.3
653.20148	0.2
654.21460	0.3
665.38348	0.4
673.43152	0.2
708.28888	0.2
729.28815	0.3
729.78546	0.3
751.27423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03433	0.5
59.01375	100.0
60.01709	1.3
61.98825	21.2
61.99170	0.4
63.99247	0.3
69.03456	0.9
69.18800	2.0
71.01379	10.2
72.99313	0.3
73.02942	3.4
83.01398	1.6
83.87210	0.2
84.02122	0.2
85.02941	5.0
87.00883	0.4
89.02444	1.1
95.01398	1.0
96.95998	1.9
97.02961	0.3
98.19917	0.4
99.00881	1.8
101.02434	6.3
102.02786	0.3
113.02441	4.9
113.84271	0.2
125.02460	0.3
127.11297	0.4
129.02029	0.2
133.02954	0.9
135.04521	0.6
143.03502	0.4
147.33791	0.2
158.87653	0.2
159.03011	0.7
161.02423	2.2
161.04538	3.0
162.02745	0.4
179.03525	0.8
185.00981	0.4
209.11833	0.6
283.88861	0.2
289.16544	11.1
290.16904	0.6
331.17520	4.2
331.21143	0.3
332.18121	0.4
547.21478	0.2
564.57092	0.2
577.65344	0.3
647.36859	0.3
653.20148	0.2
654.21460	0.3
665.38348	0.4
673.43152	0.2
708.28888	0.2
729.28815	0.3
729.78546	0.3
751.27423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09846	0.3
59.01370	1.6
61.98816	1.9
71.01376	1.2
71.52393	0.6
72.99310	2.1
75.00867	100.0
76.01221	0.8
76.73656	0.4
89.02437	1.1
97.82988	0.4
101.02448	0.8
101.18553	0.3
102.36151	0.4
113.02429	0.5
118.10234	0.3
125.02453	0.4
126.22313	0.3
137.70256	0.3
151.52063	0.4
235.08255	0.8
277.21735	2.6
303.79309	0.4
397.13483	6.3
415.14392	2.2
529.72449	0.4
604.67578	0.4
675.35846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.3
56.62400	0.2
57.03443	0.4
58.00592	0.3
59.01376	86.4
60.01709	0.9
61.98827	12.3
69.03399	0.2
71.01379	2.9
73.02945	2.8
83.01392	0.9
85.02941	0.5
86.22701	0.3
89.02438	0.4
96.95999	0.7
101.02433	3.4
113.02444	1.2
125.02438	0.2
135.04524	0.5
155.03566	0.3
161.02414	1.0
161.04506	0.4
162.02844	0.3
179.03490	0.3
203.05611	0.7
227.12944	0.3
487.34232	100.0
488.34576	18.8
497.32974	0.6
501.36090	1.1
507.06631	0.3
509.33582	0.3
529.35291	4.0
530.35815	1.2
545.25409	0.3
545.33209	3.9
546.33582	0.7
691.40509	0.7
701.15570	0.2
751.42487	1.8
752.43018	0.6
783.66113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.2
59.01377	57.1
60.01708	0.7
61.98827	14.9
66.68080	0.1
68.99828	0.7
69.23972	1.1
71.01380	1.3
73.02941	1.3
83.01395	0.6
85.02968	0.4
89.56256	0.1
96.96001	0.3
97.02951	0.1
99.04544	0.2
101.02430	2.1
113.02422	0.8
125.02428	0.3
127.32241	0.1
133.02948	0.2
135.04524	0.3
143.03477	1.0
161.02409	0.5
161.04535	0.2
179.03471	0.4
196.64381	0.1
203.05676	0.2
215.82892	0.1
299.01721	0.2
343.26318	0.1
379.29672	0.1
409.31152	0.2
427.32416	0.2
487.34238	100.0
488.34579	19.2
497.32581	0.4
501.35684	0.9
509.32263	0.2
529.35254	2.6
530.35852	0.7
539.47418	0.1
553.35156	0.2
571.36499	0.8
572.36383	0.2
631.38702	0.2
691.40332	0.6
692.41321	0.2
751.43536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
59.01374	1.7
60.01707	0.2
60.99309	1.2
65.03955	2.5
67.01887	3.7
69.03451	1.3
71.01376	1.9
72.99338	0.3
73.02940	0.3
81.03452	0.7
81.36847	0.3
83.05011	0.7
85.02944	4.1
86.03355	0.3
87.00870	6.1
88.39458	0.2
88.84882	0.2
93.03453	26.4
94.03808	0.7
96.95975	0.3
99.00832	0.6
99.04513	0.6
101.02419	0.3
109.02953	0.7
111.04523	3.2
113.02433	0.5
115.03982	0.2
117.03461	1.1
118.03047	0.2
119.05032	0.4
121.06607	0.7
127.04005	1.1
129.01927	0.9
134.03729	8.5
135.04170	0.5
139.03999	3.1
140.04329	0.2
145.02931	0.7
149.06094	0.3
155.03479	0.9
155.91040	0.2
158.85724	0.2
161.02449	0.7
163.03973	0.4
165.05553	0.9
171.02992	0.4
173.04526	9.5
175.04001	0.7
175.62817	0.2
178.02724	0.2
179.03485	0.4
183.06610	3.7
184.06897	0.3
191.05594	100.0
192.05919	3.7
193.05016	5.2
215.09189	1.2
231.37221	0.3
327.12387	0.5
367.10287	43.0
368.10608	4.1
375.14447	0.4
443.15515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.0
57.03431	2.9
58.00574	2.0
59.01374	92.3
60.01695	1.9
61.98824	58.0
69.03439	2.0
71.01373	42.2
71.53564	1.3
72.99287	3.6
73.02938	11.1
74.72828	0.9
83.01377	8.9
83.05042	1.1
85.02943	23.9
87.00896	4.8
89.02433	11.3
95.01395	6.3
96.95996	1.8
97.02937	4.0
99.00858	4.9
101.02435	34.5
108.02158	1.3
111.00848	4.1
113.02450	21.0
114.02731	1.0
119.03468	3.6
121.02958	1.1
124.01664	2.1
125.02414	6.8
129.01875	1.1
133.02937	2.3
135.04518	3.2
143.03462	4.4
159.02933	2.4
161.02397	7.0
161.04541	3.3
175.03944	2.0
179.03448	2.2
179.05573	1.1
213.18579	1.1
281.69229	1.0
289.16534	1.5
297.24323	1.2
297.53046	0.9
299.26080	1.0
335.34027	1.1
343.28482	5.4
344.29163	1.1
372.94186	1.1
413.36002	1.1
487.32550	4.5
489.34195	1.0
505.33832	9.1
585.37018	1.0
614.86395	1.3
633.38525	5.6
649.37958	100.0
650.38379	20.9
651.39441	7.9
652.39996	1.7
667.39056	62.7
668.39502	12.4
669.40723	1.6
693.40570	3.5
709.40039	29.5
710.40125	7.8
711.41425	3.8
753.23822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92621	0.1
59.01357	0.3
61.98826	100.0
62.98522	0.1
63.99240	0.1
68.36546	0.1
69.22875	0.7
69.23282	0.2
71.01380	0.4
85.02951	0.1
87.00932	0.1
109.03008	0.2
115.00407	0.2
133.01424	0.4
133.02977	0.3
135.04497	0.2
135.41978	0.1
151.04037	0.1
160.01688	0.2
161.02457	0.7
162.02812	0.1
168.88785	0.1
175.04024	0.2
179.03479	0.2
180.03868	0.1
191.05672	0.1
243.41338	0.1
377.66119	0.1
495.19315	0.5
736.26080	0.3
755.23767	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	755.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
71.01373	18.8
71.08720	0.4
72.99312	3.4
73.02898	0.4
73.28431	0.4
85.02940	0.6
87.00864	0.9
89.02447	2.7
93.03455	0.5
101.02423	0.6
103.69147	0.3
107.01387	0.5
108.02211	0.7
109.02938	0.5
115.00361	51.2
116.00697	1.8
121.02930	0.5
123.04480	0.4
133.01418	100.0
133.02838	4.7
134.01773	2.6
135.04509	5.6
139.03987	0.7
147.04497	0.4
148.01694	0.7
149.02342	0.4
149.06087	0.7
150.03233	0.7
151.00349	1.2
151.04037	0.9
161.02425	14.9
161.03772	0.8
162.02838	0.5
175.03970	1.1
177.05573	0.6
178.99844	0.6
179.03490	4.5
180.03860	0.4
191.05595	3.9
203.03497	2.9
221.04477	0.9
226.02512	0.5
227.03378	0.6
229.10585	0.7
243.02924	2.9
244.03400	0.4
254.02095	0.6
255.02948	6.9
256.03336	0.7
271.02444	16.4
272.02850	1.4
299.02045	0.5
300.02707	26.2
301.03210	3.4
337.09332	1.3
403.12421	0.5
427.12546	0.4
487.14502	2.9
621.18103	11.9
622.18427	2.2
755.20355	16.6
756.20953	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	755.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79010	0.3
59.01382	2.4
61.98833	0.5
71.01378	20.7
71.53083	0.4
72.01727	0.7
72.99303	4.6
73.02945	0.4
77.91421	0.3
85.02964	0.4
87.00871	1.2
89.02447	4.1
98.95575	0.5
101.02441	0.8
109.02940	0.7
113.02435	0.7
115.00368	50.1
116.00731	1.2
123.04527	2.0
125.02539	0.5
126.31093	0.4
127.27087	0.3
133.01424	100.0
133.02885	10.3
134.01756	1.7
134.03735	0.5
135.04529	8.6
135.08101	0.4
146.06783	0.3
149.06079	0.5
150.03207	1.4
151.03978	3.3
161.02432	33.9
162.02734	2.0
175.03957	0.6
177.05545	0.8
179.03485	6.3
187.11246	0.4
203.03523	2.4
272.83640	0.4
285.03952	0.5
337.76868	0.3
487.14700	2.2
488.14316	0.4
593.20959	0.6
621.18219	27.2
622.18555	5.3
755.23773	4.4
756.23877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2035
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
59.01366	3.5
61.98825	0.8
71.01379	18.4
71.52739	1.0
72.99308	4.0
73.02965	0.9
85.02937	2.2
86.06979	0.5
87.00899	0.9
89.02443	3.6
93.03462	2.1
96.96012	2.1
97.02934	0.7
99.00903	0.6
101.02427	0.9
103.18468	0.5
107.01365	1.1
109.02956	0.7
113.02459	1.0
115.00366	47.5
116.00693	0.8
117.03464	0.8
119.05001	1.7
123.04559	0.7
133.01425	100.0
133.03014	3.7
134.01762	2.5
135.00858	0.7
135.04539	5.9
145.02914	0.9
147.04539	0.5
149.06084	0.7
150.03325	0.6
151.00348	1.1
151.04005	1.7
161.02431	14.1
162.02824	1.4
163.00366	0.8
163.03987	1.0
169.06607	0.6
171.04572	0.6
175.03932	0.8
177.05577	0.8
179.03513	5.6
183.06633	1.2
185.06033	1.0
191.05617	8.2
192.05937	0.8
203.03503	1.5
211.04030	1.3
215.03331	0.6
227.03471	8.0
229.05081	2.1
232.39259	0.6
241.05116	0.7
255.02953	25.4
256.03375	3.5
257.04492	2.0
267.07172	0.7
283.02451	31.8
283.99963	0.8
284.03207	22.3
285.04004	54.9
286.04358	5.6
327.05188	1.4
337.09402	1.2
387.16504	1.2
413.10684	0.8
429.13712	0.8
446.02899	0.6
446.08466	2.6
447.09171	1.6
487.14478	2.6
593.15057	65.1
594.15344	11.5
621.18390	10.0
622.18713	2.6
635.16797	0.7
755.20221	6.5
756.21301	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	755.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57343	0.8
58.00574	1.0
58.61502	0.9
59.01375	29.4
61.90640	0.9
61.98816	1.2
69.03456	1.9
71.01376	22.5
71.52525	0.8
72.99313	2.6
73.02943	6.0
77.27879	0.8
78.40076	0.7
81.03426	0.8
83.01374	5.9
85.02942	5.1
87.00870	4.8
87.04530	1.3
89.02441	20.8
95.01442	0.9
97.02902	1.1
98.20688	1.8
99.00876	1.3
101.02441	13.6
109.02946	0.9
110.79890	0.9
113.02433	9.1
115.00494	0.9
115.03986	0.9
119.03498	9.5
119.05050	1.0
121.02953	3.4
124.07016	0.8
125.02418	6.7
131.03503	3.5
132.02174	2.1
133.02950	37.8
134.03648	1.1
135.04517	20.3
136.05165	0.9
143.03465	4.5
149.04657	1.1
159.04506	1.0
161.02432	100.0
161.04608	3.9
162.02783	5.4
173.06143	2.0
177.05577	1.4
179.03485	14.5
179.05585	7.5
187.04013	1.1
187.07597	5.7
193.69405	0.9
201.05392	1.4
202.06299	6.7
205.07111	2.3
221.04584	1.2
221.06476	4.1
221.16905	0.9
231.10245	4.3
249.11348	1.2
249.81924	1.0
263.07712	2.2
323.09750	14.9
356.12671	3.1
371.15161	4.1
411.16562	1.1
506.40930	1.0
539.21704	1.5
557.22400	4.6
719.25458	75.3
720.25824	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	755.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.3
61.98826	1.0
71.01376	14.7
72.99313	1.3
73.02946	1.2
73.51694	0.6
82.03295	0.5
82.73728	0.6
83.01392	0.7
85.02969	2.0
87.00893	0.7
89.02439	11.6
89.02946	0.8
95.01394	0.6
97.02989	0.7
99.00881	1.0
101.02438	2.9
105.03453	0.7
113.02452	3.3
115.00381	5.6
115.01970	0.6
119.03494	1.3
123.04531	2.9
124.85093	0.5
125.02465	4.0
131.03520	2.0
132.02179	3.0
133.01454	12.0
133.02951	42.8
134.03305	1.0
135.04527	14.8
147.04572	0.6
149.04524	0.6
151.03954	0.7
153.05580	2.3
161.02431	100.0
161.13348	0.9
161.44031	0.6
162.02786	5.1
179.03481	3.8
181.07129	0.7
187.11301	1.3
191.05513	1.2
202.69131	0.6
248.85558	0.7
302.12402	0.6
343.12372	1.4
343.90717	0.8
429.13571	0.8
447.14960	0.7
563.12549	0.6
575.23328	4.8
593.20856	9.1
594.20441	1.0
621.17902	3.8
622.18506	0.7
755.23651	53.2
756.23981	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	755.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.2
55.19033	1.1
57.03452	2.2
58.00581	3.2
59.01374	100.0
61.98816	3.2
65.18581	1.1
69.03448	4.7
71.01376	84.2
71.53114	1.2
71.53490	1.2
72.99313	4.9
73.02941	9.5
73.97504	1.0
74.05005	1.1
81.03450	3.5
83.01382	76.2
84.01694	2.2
85.02937	15.1
87.00874	7.9
89.02436	90.7
93.03462	1.1
95.01375	4.8
97.02943	5.2
99.00893	3.4
101.02432	52.9
102.02768	1.4
111.00838	1.7
113.02445	33.9
114.02803	1.9
119.03491	45.5
120.03844	1.2
121.02953	16.1
123.00893	2.0
125.02439	22.0
131.03502	6.9
133.02959	6.4
135.04494	4.1
136.05286	23.8
139.03961	3.0
140.77156	1.3
143.03482	16.1
147.04485	1.9
149.04512	4.6
153.05525	1.3
161.02443	17.6
161.04497	16.9
163.03964	1.1
167.03438	2.0
168.04231	4.4
179.05592	54.2
180.05888	2.4
187.07626	1.6
221.06598	4.9
231.10287	1.7
245.06548	3.3
259.76266	1.2
263.07620	3.0
323.09793	51.3
324.10056	4.4
356.12906	5.3
357.12488	1.2
371.14944	42.3
372.15308	5.9
381.15335	2.0
695.32745	4.1
713.33716	5.8
714.33673	1.5
719.25684	10.0
720.26245	3.2
755.34998	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
58.00589	1.0
59.01375	18.1
60.01712	0.4
61.98827	5.2
68.99810	0.5
69.03423	0.6
69.98309	1.9
71.01379	13.2
73.02943	22.7
75.00871	0.5
79.95731	0.7
83.01383	6.1
83.05014	0.5
85.02946	0.8
96.95998	7.9
97.02948	0.8
99.92564	0.8
101.02440	15.6
102.02763	0.6
109.28054	0.5
113.02443	2.6
116.92860	4.2
117.01933	0.6
125.02426	1.3
131.03476	1.0
133.03015	0.5
143.03456	1.7
155.03464	1.1
161.02429	1.1
161.04564	1.8
163.07642	0.5
183.79021	0.4
188.14636	0.4
197.11821	1.0
203.05583	3.9
209.11800	6.3
210.12068	0.7
215.47092	0.4
227.12894	1.0
253.09317	0.8
291.19479	0.8
309.20532	2.2
331.88815	0.5
471.34738	100.0
472.35129	16.7
485.36325	15.6
486.36777	3.5
507.32886	0.5
513.35773	10.4
514.36359	2.1
543.36853	1.8
544.36853	0.5
555.37140	0.5
613.05170	0.5
711.40002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.5
59.14414	0.4
61.98831	2.9
69.03445	0.5
70.34559	1.0
70.34928	1.1
71.01382	6.0
73.02937	6.8
81.03500	0.7
83.01381	1.7
85.02943	0.8
88.90961	0.5
89.02458	1.0
91.10457	0.5
101.02435	5.5
111.08128	0.7
113.02424	1.8
116.92838	0.7
125.02451	0.6
143.03490	0.9
152.11826	0.6
161.02454	1.2
161.04468	0.8
163.11226	1.0
165.12875	1.0
171.10239	2.0
197.11806	5.0
198.87267	0.5
199.13271	0.6
203.05576	1.2
207.10269	0.6
209.11804	27.2
210.12082	1.8
211.13443	1.3
225.11301	0.9
227.12868	4.8
228.13167	0.6
235.08208	1.0
253.09219	3.6
273.18472	0.6
291.19675	4.5
293.21085	0.6
309.20694	12.6
310.21036	1.8
329.23346	0.6
445.21133	0.6
471.34747	100.0
472.35101	18.4
485.36368	2.2
486.36832	0.8
513.35748	1.8
514.36554	0.6
754.84924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.8
57.03442	2.9
58.00586	1.9
59.01374	75.6
60.01709	0.8
61.98534	1.3
61.98827	15.7
67.58897	0.7
68.99819	0.9
69.03452	1.0
69.65594	0.9
71.01377	48.0
72.01691	1.0
72.99305	2.7
73.02946	12.9
75.00859	1.1
80.91680	2.0
80.96511	3.7
81.03470	1.2
83.01384	6.6
85.02939	24.9
87.00884	7.4
89.02435	21.6
94.98106	0.9
95.01382	6.1
96.96011	2.0
97.02943	2.5
98.20670	2.1
99.00879	3.7
101.02436	33.4
104.00493	0.8
109.02935	1.5
111.00868	3.0
113.02441	24.9
119.03487	7.8
124.01624	1.1
125.02405	6.1
133.02960	7.4
134.03714	1.2
135.04521	17.7
136.04893	0.9
139.04060	1.1
143.03491	3.5
149.52814	0.9
159.02980	1.7
161.02432	22.6
161.04417	4.9
164.98479	0.8
174.07860	0.8
178.02670	1.0
179.03491	27.9
179.05260	1.5
179.05627	1.3
180.03770	1.8
203.03510	1.2
209.11765	1.1
299.25665	1.2
345.30014	6.5
346.29990	1.0
487.14578	5.1
489.34109	4.2
507.35275	7.7
621.18042	1.2
622.18854	8.2
623.19379	1.8
651.39526	100.0
652.40021	17.1
669.40631	68.3
670.41058	11.2
711.41632	42.6
712.42023	8.8
719.25427	12.0
720.25983	4.6
755.30511	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	755.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91748	0.6
55.01883	3.0
57.03442	3.3
58.00588	1.3
59.01377	56.9
60.01676	0.5
61.98829	12.2
69.03436	2.4
70.95450	0.8
70.95798	0.5
71.01376	34.3
72.01711	0.7
72.99294	1.9
73.02938	11.1
75.00867	0.8
81.03434	1.1
83.01383	6.9
85.02943	22.3
86.00095	1.1
87.00861	3.6
89.02445	8.7
95.01381	5.0
97.02937	2.6
99.00877	4.5
101.02434	25.7
111.00865	4.2
112.01678	1.5
113.02442	15.7
115.04021	1.1
119.03488	2.0
124.01657	1.5
125.02442	5.0
129.01961	1.5
133.02942	3.9
135.04520	3.4
141.01880	1.0
143.03500	3.5
152.29738	0.6
159.02959	2.4
161.02431	10.4
161.04472	3.3
171.13942	1.3
177.05667	0.6
179.03482	2.3
203.03413	0.8
262.64069	0.6
279.23331	0.7
299.25891	2.4
343.27966	0.5
345.30051	7.4
346.30475	0.6
489.34378	4.4
490.34396	0.8
507.35306	9.2
508.35431	1.2
615.37897	0.7
622.19287	1.3
651.39532	100.0
652.39941	19.7
669.40613	60.0
670.40887	11.9
711.41638	31.8
712.42084	6.7
719.25641	7.1
720.25775	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.8
57.03442	4.9
58.00558	1.5
59.01374	66.3
59.36548	0.9
60.01678	1.1
61.98819	2.5
69.03448	2.2
69.56873	5.2
71.01374	44.4
72.99283	2.6
73.02941	12.5
83.01358	5.8
85.02941	23.1
86.00100	1.5
87.00871	4.1
89.02433	11.5
95.01384	6.2
97.02928	2.7
99.00878	4.2
101.02434	26.3
111.00867	4.3
112.01620	1.5
113.02438	22.1
118.36803	0.7
119.03483	5.1
124.01656	1.0
125.02463	5.7
133.02942	9.0
134.03661	1.0
134.13893	0.8
135.04524	4.7
135.13193	1.0
143.03491	2.9
149.06038	1.2
159.02985	2.0
161.02417	18.1
161.04521	3.7
170.63239	0.8
171.13896	0.8
172.49463	0.9
179.03450	3.6
261.38229	0.9
299.25677	1.1
316.20535	0.9
320.80402	1.0
345.30026	5.2
489.34189	4.4
507.35443	6.8
508.35696	1.2
651.39508	100.0
652.39752	21.7
669.40570	59.8
670.40918	12.3
711.41638	44.3
711.60693	1.1
712.41980	11.7
719.25446	5.1
720.25696	1.6
728.79767	0.9
756.21393	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	755.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
57.03439	3.1
58.00587	1.6
59.01376	68.7
60.01719	0.7
60.99302	2.6
61.98825	10.3
68.16222	0.7
69.03450	1.7
71.01378	39.7
71.52166	1.2
72.99301	2.5
73.02945	14.0
75.00886	0.9
79.96568	0.7
81.03455	1.1
83.01382	8.4
85.02946	21.1
86.00096	1.1
87.00887	4.8
88.98802	12.3
89.02443	10.1
92.46451	0.8
95.01373	5.2
97.02946	4.0
98.80276	0.7
99.00880	5.0
101.02438	33.3
101.03111	1.7
102.02782	1.1
109.02956	1.7
111.00880	4.5
112.01666	1.5
113.02442	21.9
113.03631	0.8
115.03979	1.0
119.03484	3.3
123.04532	1.1
124.01596	1.5
125.02412	6.1
129.01883	0.9
132.02235	1.0
133.02960	15.4
133.64195	0.7
134.03696	3.3
135.04521	13.3
137.02426	2.4
141.01959	1.3
143.03481	3.9
149.06073	1.0
159.02962	2.0
161.02434	39.3
161.04375	3.7
162.02733	1.8
175.04004	2.1
177.05550	2.4
179.03497	16.8
203.03490	5.4
204.03899	0.9
206.45099	0.7
207.06674	0.9
221.04529	2.0
299.25839	2.7
345.30057	7.6
456.25549	0.9
475.64322	0.8
480.31213	0.9
487.14453	5.9
489.34262	3.7
507.35239	9.9
508.35403	1.7
621.17963	0.9
622.09283	1.5
622.18903	13.6
623.19220	2.4
651.39514	100.0
652.39966	20.5
669.40643	62.5
670.40881	12.6
711.41632	37.3
711.54517	1.0
712.42023	8.9
719.25525	24.3
720.25580	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	755.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41223	25.2
61.98820	100.0
68.08848	26.7
71.51980	37.3
76.95787	24.9
116.76640	28.0
135.50650	26.2
196.13304	28.4
198.63797	27.3
223.13383	51.6
315.56284	29.4
524.44708	26.4
755.41699	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
58.00589	0.4
58.97875	0.3
59.01378	7.7
61.98832	2.1
62.06827	0.2
63.93585	0.3
69.03464	1.0
69.95551	0.6
69.95947	0.8
71.01378	3.7
73.02950	1.0
80.02684	1.3
81.03461	1.1
83.01352	0.6
83.05016	4.5
84.02164	0.7
84.89162	0.3
85.02950	1.2
87.00876	1.1
89.02429	2.7
92.86355	0.3
95.05038	0.8
96.96027	0.5
97.02932	2.0
97.06576	0.5
98.19987	0.4
101.02431	3.5
109.06586	0.9
111.08150	4.5
113.02445	1.9
119.03493	0.6
125.06098	0.8
125.09711	1.0
133.02931	0.4
135.08154	0.6
135.37193	0.3
137.09766	1.0
143.03473	0.6
145.05061	0.4
150.04010	0.3
151.11230	0.5
153.12863	0.6
161.02469	0.9
161.04575	2.0
163.11288	4.1
165.12817	4.1
166.13181	0.4
169.12346	1.9
171.10263	4.7
177.12836	0.4
179.05557	0.5
181.12297	1.6
183.13812	0.8
191.10791	0.9
195.13908	0.5
197.11813	21.3
198.12140	1.3
199.13298	1.8
201.11218	0.4
207.10138	0.6
209.11804	100.0
210.12149	7.9
211.13358	4.2
212.13672	0.4
223.13423	0.6
225.11345	1.7
225.15001	0.4
227.12872	14.2
228.13232	1.2
235.08180	3.2
247.20624	1.3
253.09259	14.6
254.09525	0.7
263.20166	0.7
265.17929	0.7
273.18723	0.5
275.20111	0.6
291.19638	19.5
292.19919	2.3
293.21173	3.7
294.21606	0.4
309.20670	45.3
310.21112	4.7
445.20740	1.5
519.33081	0.5
545.29553	1.2
546.30383	0.4
737.41156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.5
59.01377	7.4
61.98833	2.2
69.03453	0.5
70.68931	0.3
71.01373	3.7
73.02921	0.7
80.02666	0.7
81.03440	1.3
83.01356	0.7
83.05013	4.5
84.02182	0.5
85.02940	0.9
87.00880	0.4
89.02427	2.8
95.01360	0.4
95.05013	0.5
97.02959	0.7
97.06606	0.5
101.02441	3.9
109.06564	0.5
111.08157	5.5
113.02432	1.7
116.92922	0.3
119.03523	0.5
125.06050	0.4
125.09705	0.5
133.02989	0.4
137.09749	0.5
147.11845	0.5
150.11775	0.3
151.11243	0.7
153.12819	0.9
161.02466	0.9
161.04532	1.6
163.11264	4.0
165.12804	2.1
169.12346	1.9
170.12814	0.4
171.10312	3.0
179.05608	0.4
181.12363	1.1
183.13834	0.7
191.10741	1.2
193.12390	0.4
197.11815	27.0
198.12172	1.7
199.13451	1.7
201.11206	0.4
203.01820	0.3
207.10341	0.7
209.11809	100.0
210.12151	6.0
211.13367	5.2
212.13719	0.6
223.13411	0.5
225.11360	1.3
227.12871	13.3
228.13181	0.7
235.08203	3.4
247.20477	0.6
253.09262	15.2
254.09482	0.7
263.20218	1.4
265.18100	0.4
273.18567	1.0
275.19998	0.4
287.38113	0.4
291.19641	13.6
292.19952	1.5
293.21188	2.8
309.20694	43.6
310.21057	4.3
325.19995	0.6
445.20605	0.9
459.30951	0.4
501.31989	0.8
502.32425	0.3
527.28485	0.4
545.29559	0.8
547.65179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.5
61.98827	99.8
69.61848	1.5
71.01371	3.3
71.06406	4.0
82.75499	1.6
91.11849	1.5
100.79431	1.8
101.02460	1.5
110.30212	1.7
121.36629	2.2
148.42740	2.2
169.12340	100.0
170.12675	5.5
171.10255	25.6
235.08235	8.7
235.70688	2.1
253.09329	5.2
277.21692	77.3
278.22031	6.0
286.62631	1.7
317.82376	2.0
385.42389	2.1
405.21283	10.8
407.19189	2.3
431.19852	1.9
515.12726	1.9
612.30408	2.0
709.41711	16.0
710.41461	3.4
727.42511	13.4
755.18683	3.5
755.42297	6.7
756.17657	3.5
756.42352	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	756.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.2
61.98827	100.0
70.73928	0.6
129.55930	0.2
144.72093	0.2
184.85866	0.2
209.12019	0.3
220.22173	0.2
243.91380	0.3
354.55069	0.3
731.71124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.3
64.99754	0.4
69.13097	3.9
71.01377	17.2
71.05022	0.5
72.99304	2.0
73.02946	5.2
75.00867	14.4
75.46578	0.5
81.03458	1.6
83.01405	0.7
85.02933	3.3
87.00890	2.1
89.02440	24.2
93.03436	1.6
99.00871	10.3
99.04526	0.8
100.01189	0.6
101.02435	11.3
111.00875	0.7
113.02445	4.3
119.03537	3.4
119.05019	86.6
120.05350	4.1
125.02430	1.3
129.01953	0.5
131.03532	2.8
131.07126	1.0
133.02939	0.5
135.04495	0.5
137.06133	0.7
143.03479	4.6
149.04550	5.6
161.02458	0.8
161.04625	3.0
163.03998	58.8
164.04314	3.1
173.04471	0.6
179.05594	55.5
180.05960	2.1
191.05609	5.6
217.97978	0.5
267.86725	0.5
270.26770	0.5
272.90546	0.5
284.38409	0.5
292.45120	0.5
293.12399	4.7
294.12900	0.6
299.11438	1.7
325.09244	15.4
326.09601	1.5
431.15540	100.0
432.15814	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	757.393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91335	3.5
57.39197	3.4
61.98825	29.8
71.06136	4.8
71.06461	3.8
88.98797	10.2
109.06593	6.7
113.98961	3.2
139.52907	3.0
163.11238	7.1
173.91516	3.4
175.96141	3.7
207.10269	47.8
208.10541	4.1
225.11342	8.6
235.08244	8.7
247.41957	4.2
253.09279	14.9
277.21701	100.0
278.22043	7.8
310.45926	3.2
334.75568	3.7
376.16602	3.8
382.38907	3.6
396.54230	3.4
443.19101	3.9
476.87796	3.5
513.30804	4.7
721.41742	40.6
722.42334	14.0
755.10376	3.7
757.39056	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	757.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.96858	8.7
111.94923	8.5
146.40552	9.0
207.10278	24.0
225.11209	27.8
277.21667	34.9
420.81503	8.6
721.41199	23.0
722.42206	9.2
757.39056	40.1
758.39691	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	757.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.9
59.01369	6.1
59.05013	0.9
61.98829	14.2
71.01378	66.5
72.01719	2.1
73.02940	1.5
77.18602	0.9
79.35680	0.9
85.02944	1.2
87.00883	1.3
89.02446	2.3
97.02934	1.3
99.00867	1.4
101.02435	2.9
103.09353	0.9
109.06578	2.7
109.40099	0.9
113.02421	1.8
113.67812	1.0
116.08739	1.0
127.11271	1.8
131.87898	1.0
145.05046	1.1
155.10768	1.4
163.11320	1.9
169.10902	1.0
169.12363	2.6
170.12633	1.5
171.10254	44.8
172.10582	2.5
181.12314	1.4
199.09715	8.8
200.10277	1.2
201.11311	6.9
207.10231	10.6
214.35678	0.8
218.51208	0.9
225.11295	7.3
235.08238	5.3
253.09248	9.9
276.00720	1.0
277.21701	100.0
277.36816	0.9
278.22046	10.5
279.22479	1.0
376.18860	1.1
415.65991	1.1
461.20020	1.9
675.26080	1.1
721.41724	4.9
722.42340	2.2
739.42126	1.3
751.84711	1.0
757.43652	6.4
758.43317	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25442	1.2
59.01371	7.7
61.98820	6.3
71.01377	92.4
72.01714	2.0
73.02919	1.8
85.02939	1.6
87.66872	1.4
89.02444	5.4
97.02920	1.5
98.98011	1.3
101.02436	4.8
109.06597	6.6
113.02427	3.8
125.09748	2.1
127.11267	3.7
135.08154	1.6
137.09666	1.2
153.89542	1.4
155.10709	2.2
161.04538	2.9
163.11263	4.6
171.10252	100.0
172.10629	4.5
181.12282	2.3
184.37856	1.2
199.09744	21.1
199.13432	2.0
201.11292	17.2
202.11566	1.4
207.10233	22.3
208.10602	2.1
225.11301	15.7
235.08192	2.5
243.12302	2.3
253.09196	12.6
277.21689	69.1
278.21896	7.0
407.19257	1.5
435.18576	3.4
461.20038	5.5
466.05145	1.4
721.41888	5.6
722.42084	1.5
757.43945	9.8
758.43689	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	757.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	1.1
58.00621	0.6
58.38668	0.5
59.01375	6.3
61.98822	4.3
64.46960	0.6
68.99566	71.8
69.99896	1.6
71.01378	100.0
71.51527	0.7
72.01694	0.9
73.02937	2.0
73.11091	0.6
81.03465	0.7
85.02950	2.1
87.00874	4.0
88.71185	0.6
89.02454	2.3
97.02938	1.4
97.93131	1.4
99.00855	0.8
100.23597	0.5
101.02440	3.9
102.43936	0.5
109.06583	4.1
112.98563	75.7
113.02453	2.2
113.98914	3.3
114.93414	8.2
114.99026	0.6
115.00352	7.3
115.03980	0.7
119.03487	0.6
125.09713	1.8
127.11297	1.7
133.05124	0.7
137.07237	0.5
143.03419	0.6
145.05037	0.7
145.14107	0.6
155.10776	1.0
161.02444	1.4
161.04549	1.6
163.11302	2.7
171.10258	73.1
172.10629	3.3
181.08679	1.5
181.12260	1.1
197.11768	0.6
199.09726	10.7
199.13416	0.6
201.11313	7.3
207.10239	12.7
208.10619	1.4
225.11290	7.1
226.11676	0.6
235.08249	5.2
243.12424	0.7
249.82782	0.6
253.09262	10.6
254.09535	0.6
277.21701	91.6
278.22006	9.6
308.49683	0.5
435.18573	1.1
438.64520	0.7
443.19156	0.9
461.20251	2.3
501.62018	0.6
651.27246	0.5
663.23535	2.6
695.40216	0.7
702.97040	0.7
721.41394	3.9
722.42590	1.4
739.41980	1.1
752.80463	0.7
757.21808	2.0
757.44238	4.8
758.32513	1.3
758.43970	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
61.98825	91.0
69.31662	1.3
69.32069	2.4
71.01369	1.9
73.02957	0.7
77.50029	0.5
83.01385	13.3
88.13052	0.5
88.98804	0.6
98.42788	0.5
101.02421	0.8
105.03446	0.9
109.02928	0.8
113.02427	0.6
117.03440	0.8
121.02955	4.2
132.02129	1.9
133.02951	36.3
134.03682	2.2
135.04515	28.9
135.78403	0.6
136.05350	4.8
137.02443	1.4
149.06058	1.4
159.04465	0.6
160.01680	0.9
161.02428	100.0
162.02757	6.3
168.04239	1.5
175.04016	2.2
177.05594	3.9
179.01897	1.0
179.03470	18.8
180.03848	1.1
186.07683	0.6
193.05016	0.9
203.03424	2.0
214.10641	0.5
220.03729	1.2
221.04533	3.3
233.04568	0.7
237.23831	0.5
251.05446	0.5
263.05646	1.0
280.05972	1.2
294.76065	0.5
323.07697	18.4
324.07944	1.2
337.09064	0.8
356.12668	1.2
357.13245	1.5
371.14929	1.9
429.09042	0.5
482.81595	0.6
695.23358	82.8
696.23724	18.6
720.25928	1.2
723.45392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
59.01376	10.5
60.99296	1.5
61.98825	100.0
65.03961	2.6
69.03465	0.8
70.94620	0.7
70.94957	0.8
71.01382	5.4
72.99285	0.8
73.02959	1.4
78.70624	0.6
82.95416	1.1
83.01383	7.9
85.02949	2.3
87.00903	0.8
88.98782	4.7
89.02440	2.6
93.03455	1.2
93.88004	0.6
95.05003	0.8
96.96019	1.1
99.00861	0.8
101.02443	3.4
102.02791	0.6
109.02946	0.6
113.02460	2.8
114.02831	0.6
117.03473	1.3
121.02973	2.6
121.06596	1.8
132.02158	1.2
133.02943	16.2
134.03676	1.1
135.04512	13.2
135.08104	0.7
136.05200	1.8
139.04001	4.8
140.04344	0.8
149.06125	1.2
151.07649	0.9
161.02423	42.0
162.02773	2.9
163.07681	0.6
165.05487	1.1
175.03990	1.0
177.05594	2.2
177.09251	1.2
179.03473	10.2
180.03835	2.0
183.06587	0.7
184.00299	0.7
192.44402	0.6
200.06287	0.6
203.03502	0.7
209.04601	1.6
209.11826	0.6
221.04619	1.4
223.10023	0.6
260.12091	0.5
268.11722	0.5
323.07648	10.1
324.08038	1.0
335.88327	0.6
337.09018	1.0
357.13599	1.0
358.96848	0.5
371.14868	1.4
372.14999	0.7
385.25809	1.2
385.65009	0.6
386.25967	0.8
481.61429	0.6
623.20007	0.6
627.36383	0.5
652.40497	1.0
653.40723	4.4
654.40515	1.7
671.41394	3.3
672.41833	0.9
695.23328	37.6
696.23566	10.4
713.42328	2.1
714.41779	2.0
720.26196	1.5
757.36163	1.7
758.37494	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	758.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54810	0.1
59.01377	1.1
60.99320	0.1
61.98826	100.0
62.99245	0.1
70.94670	0.2
70.95020	0.2
71.01379	0.9
73.02938	0.3
79.69325	0.1
83.01378	0.3
85.02965	0.4
87.00893	0.2
88.98801	0.6
89.02429	0.7
95.01380	0.2
99.04527	0.2
101.02473	0.8
113.02457	0.5
119.03529	0.3
119.05053	0.2
133.02956	0.8
135.04495	0.6
136.04939	0.1
137.02388	0.2
143.03503	0.1
161.02414	1.6
161.04556	0.2
162.02765	0.6
165.05586	0.2
177.05508	0.2
179.03522	0.3
179.05659	0.2
180.04141	0.1
187.11273	0.2
193.08617	0.1
301.21786	0.3
314.43369	0.1
323.09775	0.2
329.23291	0.2
330.23672	0.4
441.13651	0.2
445.15985	0.1
489.19336	0.2
518.19250	0.1
519.20575	0.3
579.27814	0.2
595.31714	0.3
596.31818	0.4
689.24017	0.2
720.25714	0.9
721.26764	0.2
722.26563	0.2
758.23541	0.2
759.34912	0.3
760.17145	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31611	0.7
59.01377	30.4
69.34277	4.0
71.01375	2.2
72.99297	4.3
81.03476	0.7
85.02940	1.0
87.00866	0.7
89.02429	0.9
93.03432	0.7
103.05496	0.9
107.05012	0.8
109.02911	1.1
113.02470	1.4
119.05025	6.2
121.02899	0.7
123.04517	4.4
125.38462	0.7
132.02165	1.1
133.01419	1.3
133.02945	24.0
134.03555	1.3
135.04514	19.3
136.04860	0.9
137.02425	1.2
137.13179	0.6
146.13658	0.7
147.04514	74.3
148.04810	3.2
149.02400	0.8
150.03233	4.2
151.03986	9.4
161.02431	100.0
162.02785	4.6
163.03947	0.7
165.05559	64.1
166.05908	3.2
175.03979	1.3
177.05519	2.2
179.03485	23.3
180.03775	0.9
203.03485	7.6
207.06606	36.5
208.06950	1.7
221.04498	2.4
233.04512	1.7
251.05644	1.6
281.06601	1.5
323.07632	2.3
341.08698	4.6
342.09000	0.8
351.28235	0.7
475.12427	51.3
476.12753	7.3
507.15027	68.9
508.15308	9.7
537.23352	2.1
592.67413	0.7
750.30646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
57.03442	1.7
58.00591	2.5
59.01376	100.0
60.01706	2.0
61.98826	47.8
62.54264	1.0
69.03450	2.6
69.90089	3.9
71.01379	67.3
71.65152	0.9
72.99294	3.6
73.02943	23.9
74.57387	1.0
75.00838	1.1
81.03438	1.9
83.01382	9.4
85.02945	15.0
87.00881	4.7
88.98817	1.3
89.02438	45.6
95.01385	7.2
97.02953	2.5
98.20644	1.0
99.00864	1.8
99.04517	2.7
100.19883	0.9
101.02435	42.2
102.02789	1.5
107.05019	3.0
108.02166	20.8
109.02960	1.9
113.02443	36.4
119.03487	19.9
120.03741	1.0
122.03691	1.2
123.04523	3.3
124.01649	1.2
125.02436	4.9
131.03485	3.1
133.02986	1.5
134.03743	6.6
135.04512	24.2
136.04823	1.1
138.03360	1.2
143.03487	5.7
149.04549	2.5
153.05580	5.5
157.23854	1.0
161.02405	2.2
161.04549	7.4
179.05589	8.7
179.83704	0.9
195.13879	21.0
196.14233	2.1
209.15413	2.8
213.14978	7.0
214.15480	1.0
237.14969	1.7
297.09833	7.5
315.10825	57.0
316.11075	5.8
357.12366	5.4
357.19110	25.7
358.11972	1.3
358.19577	2.6
375.20206	55.3
376.20633	5.9
380.36301	0.9
381.19073	4.6
399.20230	9.4
400.20486	1.5
417.21268	66.4
418.21640	7.6
441.21112	2.1
459.22437	1.3
493.24643	5.4
553.25470	1.6
655.29639	10.4
656.30188	2.0
673.30878	12.1
674.31226	2.5
715.31567	7.1
716.31543	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64653	0.2
55.01867	1.2
59.01374	83.0
60.01702	0.8
60.99318	0.3
61.98828	0.6
71.01373	0.9
83.01379	43.1
84.01718	0.8
85.02972	0.3
88.98809	0.9
101.02440	0.3
113.02417	0.3
121.02065	0.4
121.02938	8.3
122.03796	0.2
123.00894	1.8
136.05286	15.1
137.05963	0.5
138.03210	0.8
139.11310	1.1
147.04462	0.4
151.07660	1.0
161.02434	0.2
161.04495	0.5
161.06079	0.4
168.04276	3.8
183.10229	5.3
209.08151	0.5
218.53931	0.2
235.09708	1.5
295.13379	0.4
356.12585	4.6
357.13095	0.7
371.14932	100.0
372.15280	13.1
372.20145	0.5
434.43570	0.3
468.79001	0.3
496.97263	0.2
557.98724	0.2
625.75342	0.2
655.40808	0.8
696.12439	0.3
715.42322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75403	2.2
61.98816	2.5
68.73282	2.5
70.26123	9.3
73.68135	2.4
81.51408	2.5
83.05010	3.3
89.02467	3.4
155.61899	2.1
175.23235	2.6
209.11807	100.0
209.13780	5.6
210.12184	7.2
227.12875	19.2
253.09311	10.0
277.21710	59.3
278.22040	6.7
326.95258	2.6
445.20728	6.0
464.99728	2.6
731.32391	2.7
759.41046	24.1
760.41364	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	759.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	3.0
61.98830	6.6
71.01381	4.4
76.64407	3.5
95.28083	2.7
95.51785	3.1
141.71584	3.3
144.91782	2.7
145.04880	3.1
187.17050	2.7
196.07121	3.0
209.11813	62.6
210.12206	3.7
210.17540	2.8
227.12830	14.4
235.08191	6.3
253.09235	8.3
277.21689	100.0
278.22025	11.7
513.30682	4.5
677.90784	3.1
759.41205	29.2
760.41382	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	760.412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98548	0.2
70.46470	0.2
70.46835	0.5
77.17822	0.2
436.98419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
57.03452	1.7
59.01377	19.4
61.98828	1.5
65.03960	41.1
65.28026	1.1
66.04268	1.0
67.01893	1.7
68.99812	9.2
69.03455	9.0
71.01379	18.7
71.52018	1.7
73.02932	2.7
81.03439	2.1
83.01402	2.5
85.02486	1.6
85.02937	7.1
85.23273	1.1
87.00862	3.9
89.02447	6.7
91.05548	1.4
93.03455	9.0
95.05016	7.1
96.96002	9.3
97.02872	1.3
99.00886	6.4
101.02432	11.7
103.05538	2.1
106.04217	2.5
107.05014	3.6
108.02138	1.6
109.06529	1.0
111.00881	4.7
113.02438	8.9
119.03490	3.7
119.05029	10.9
121.02956	2.7
121.06590	27.7
123.04504	3.0
129.01920	3.4
131.03484	1.0
133.06584	1.3
135.04507	4.0
137.06049	3.5
139.04004	61.2
140.04298	2.0
143.03477	1.4
145.06496	1.1
147.04530	8.4
149.02415	1.6
149.06081	1.7
159.03030	1.2
161.02370	1.8
161.04543	1.2
161.06032	1.4
163.03975	3.9
163.07603	2.4
165.05559	44.0
166.05899	2.3
177.05460	1.3
179.05684	1.5
179.07091	2.4
181.05034	2.5
183.06604	26.9
184.06952	1.1
189.05580	1.4
191.03455	1.2
191.05629	1.6
207.06569	3.3
209.04509	14.3
223.06131	1.4
225.07555	1.2
225.11270	2.5
227.05499	1.4
251.05624	1.7
305.06958	17.8
327.10803	6.5
345.11877	17.4
371.09708	11.6
372.10123	1.2
387.17441	1.3
389.10828	25.9
389.15735	1.6
390.11206	2.3
413.10803	1.5
415.12625	1.2
431.11844	10.7
432.12994	1.2
459.11365	4.5
461.12903	3.8
491.13907	9.4
538.76392	1.2
551.16266	1.5
555.17072	2.9
581.22186	1.8
717.22382	13.5
718.22876	2.7
757.21497	1.1
761.21399	100.0
762.21729	23.7
762.35297	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.8
59.01377	27.8
65.03959	1.5
65.93082	0.8
69.03449	1.7
71.01377	24.5
72.99313	1.1
73.02920	2.5
78.95887	3.3
81.03435	2.2
83.01373	1.1
83.05036	2.4
83.74765	0.9
84.06258	0.9
85.02934	3.9
87.00866	3.1
89.02430	11.4
93.03445	0.9
95.01357	1.2
95.05006	1.7
96.95968	0.9
97.02924	1.5
100.91783	0.8
101.02429	11.8
107.05058	1.0
108.02151	2.0
109.02934	1.6
110.03719	0.9
111.00869	0.9
111.04513	1.0
113.02434	4.6
119.03518	5.4
121.06552	4.3
123.04499	1.9
133.06543	1.4
134.03682	1.0
135.04504	3.7
135.08122	1.3
136.05264	1.4
137.06079	1.6
139.03995	2.0
143.05016	0.9
145.06561	1.5
147.04506	1.4
147.08133	1.1
148.05331	1.2
149.05983	1.5
151.04047	1.3
157.06540	2.3
159.08113	4.4
161.06036	2.3
163.07547	1.0
173.05992	1.1
175.07597	2.5
177.09184	12.7
179.07050	0.9
183.04489	4.8
185.09703	1.3
187.07654	2.2
189.09175	1.5
191.05605	5.9
203.10715	1.8
215.07123	2.0
221.08174	6.9
223.11310	2.0
225.09171	2.8
229.08727	0.9
233.08263	1.1
239.10608	1.6
241.12343	9.5
242.12633	1.0
243.10175	2.9
247.09901	0.9
249.09105	1.9
265.07062	1.5
267.10059	3.9
269.08292	1.4
269.61395	0.9
279.10699	2.0
285.11246	7.3
286.11618	1.5
287.09140	7.9
295.13376	2.5
313.14493	1.6
339.12408	1.1
353.08652	1.3
357.13348	2.4
371.09656	5.4
389.10724	2.9
401.11206	1.7
465.17371	2.5
563.17963	1.1
581.18683	100.0
582.19067	16.4
582.27960	0.6
761.24988	49.4
762.25232	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	761.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
59.01376	50.7
59.84294	0.3
60.01711	0.7
61.98828	38.0
64.22916	0.3
71.01384	0.7
71.28725	0.5
81.35504	0.4
83.01382	48.5
84.01717	0.9
88.98809	1.3
96.96001	0.6
101.02479	0.8
113.02453	0.6
121.02945	8.1
122.03627	0.4
123.00897	2.0
133.02986	0.9
135.04541	1.1
136.05286	16.4
137.06084	0.7
138.03290	0.9
145.43076	0.4
150.03271	0.4
159.99829	0.4
161.02498	2.0
161.04604	0.5
161.06036	0.6
168.04256	3.7
179.03505	0.6
185.11832	5.6
191.27512	0.4
206.93646	0.4
209.11830	1.0
227.12881	0.4
235.09776	1.2
307.41525	0.4
312.13409	0.5
356.12601	5.0
357.13007	0.5
365.04675	0.4
371.14948	100.0
372.15308	13.8
373.15707	1.6
414.29749	0.4
416.15869	0.5
569.55182	0.4
615.22357	0.5
725.26031	0.6
761.33484	0.6
761.82739	1.4
762.33527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72631	0.1
58.93895	0.1
59.01373	1.1
60.01719	0.1
61.98824	100.0
62.98520	0.1
68.03318	0.1
69.72870	0.1
70.84131	0.1
71.01382	0.1
73.34773	0.1
83.01389	0.4
84.01711	0.1
84.50700	0.1
88.98820	0.1
89.19252	0.1
101.02467	0.1
109.06599	0.1
110.61975	0.1
121.02974	0.1
133.02919	0.1
133.59547	0.1
135.04500	0.1
136.05289	0.1
137.05606	0.1
161.02486	0.2
175.58876	0.1
193.43054	0.1
207.10265	0.3
209.11815	0.5
225.11310	0.2
227.12926	0.1
319.89093	0.1
371.14871	0.2
372.15204	0.5
373.15460	0.3
374.15967	0.2
388.10477	0.1
407.96390	0.1
591.44305	0.1
615.73474	0.1
635.31287	0.2
653.32147	0.1
671.33130	0.2
700.54089	0.1
732.84515	0.1
762.33167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98533	0.1
69.78912	0.3
69.79320	0.5
79.95737	0.2
80.96495	1.1
94.98077	0.2
98.20585	0.2
162.09975	0.1
170.58908	0.2
225.00694	0.4
255.23390	0.2
266.06284	0.2
330.49008	0.2
436.37909	0.2
584.85815	0.2
763.39325	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	762.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98532	0.3
67.73605	0.2
67.86814	0.2
69.28468	1.4
96.21648	0.2
101.39809	0.1
108.05711	0.2
122.05824	0.1
195.75421	0.2
206.27391	0.2
222.81978	0.2
254.22122	0.2
763.40131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.5
57.03431	2.1
58.00578	2.0
58.79031	1.2
59.01377	52.3
61.98830	23.5
65.03957	3.4
66.15425	1.5
68.92813	1.5
69.29170	11.7
69.29566	3.0
71.01381	28.4
72.99295	2.9
73.02940	3.2
76.28173	1.3
83.01371	2.6
85.02940	8.6
87.00877	1.6
89.02446	30.1
94.77739	1.4
95.01413	1.4
95.05032	1.8
95.98952	1.3
96.96008	1.5
101.02441	18.8
107.05013	3.0
108.02171	35.7
111.00851	1.5
113.02456	12.8
119.03483	10.5
131.03564	1.5
133.02922	1.4
134.03712	3.3
135.04520	16.1
139.03989	3.1
143.03464	1.9
147.11838	1.6
153.05624	3.5
161.02420	5.1
161.04620	3.0
161.13358	8.8
165.05547	3.3
179.05594	1.9
185.13324	1.9
187.11263	26.2
188.11574	2.1
203.14336	1.7
205.12321	8.4
219.13719	1.4
220.89885	1.4
229.12325	7.3
231.10310	2.1
234.75082	1.7
247.13399	3.5
249.11353	4.0
315.10953	10.6
411.16537	2.0
503.22513	2.0
547.21790	55.5
548.22198	8.8
713.35370	1.6
727.28131	100.0
728.28552	26.3
763.29114	5.3
764.28754	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40205	0.7
57.03440	1.8
57.78509	0.6
58.00592	1.1
58.72145	0.7
59.01378	47.7
61.98827	36.3
63.99246	1.4
66.99062	0.6
69.03442	0.8
71.01377	43.3
71.52329	1.0
72.99292	2.7
73.02944	12.3
75.00832	0.9
81.03435	0.9
83.01386	6.0
85.02948	13.3
85.28232	0.7
87.00891	3.4
88.98775	1.5
89.02436	19.7
95.01379	4.1
96.95995	1.2
99.00862	4.2
101.02438	28.2
101.03117	1.4
105.01959	0.8
109.02966	1.0
109.06580	2.4
111.00870	3.7
111.04514	3.2
113.02444	19.0
119.03493	7.1
121.02953	1.3
121.06592	0.9
123.04528	1.4
125.02455	2.5
131.03487	2.0
133.02928	0.8
135.04530	2.2
136.01672	1.2
139.03970	0.8
143.03499	3.2
150.03163	0.9
157.08685	13.7
159.02933	2.2
161.02432	3.1
161.04539	20.7
162.81682	0.8
163.03975	0.9
165.05544	1.7
175.03920	0.9
179.03546	1.2
179.05603	2.6
183.13896	1.4
195.13873	10.8
201.11331	1.0
209.11823	2.4
209.15469	0.9
213.14937	4.6
253.10860	0.8
255.06647	2.3
270.09094	1.8
271.09814	0.8
301.13095	11.2
319.13953	100.0
320.14267	8.9
357.14166	1.2
357.19153	14.5
358.19510	1.8
359.48624	0.9
361.15009	7.1
362.15344	0.9
375.20178	21.9
376.20581	3.2
389.16183	2.1
399.20435	1.2
417.21301	25.7
418.21713	2.9
461.99698	0.9
557.29407	1.5
569.49927	1.0
623.30261	0.8
677.33923	1.0
719.35297	0.9
763.30902	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	763.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.4
61.19471	1.0
61.98824	27.5
71.01380	6.0
73.02909	1.1
75.00861	2.4
80.02669	2.7
81.03445	3.0
83.01373	2.2
83.05026	7.7
85.02903	2.5
87.00835	1.7
88.98792	4.8
89.02433	5.1
95.05017	1.8
97.02943	5.2
99.00841	1.4
101.02412	5.2
109.06584	21.0
112.98553	1.2
113.02441	2.7
113.19370	1.1
125.09660	1.8
133.02899	1.3
135.04503	2.0
135.08125	4.2
142.02711	1.1
161.02408	3.3
161.04523	2.9
161.09711	1.4
163.11278	15.2
165.12802	3.3
179.03487	1.2
181.12325	3.0
185.11772	2.0
189.09189	1.2
191.10724	1.1
191.18279	1.2
207.10237	52.6
208.10497	3.8
209.11804	100.0
210.12183	5.3
225.11293	24.0
226.11478	2.5
227.12857	13.9
229.32253	1.4
231.10150	1.1
235.08131	3.5
247.87094	1.1
249.11356	1.5
253.09225	8.4
389.72784	1.2
399.21869	5.6
417.22781	4.4
443.18845	3.5
445.20575	2.0
461.20370	8.9
462.20523	1.2
485.19995	1.1
541.63293	1.1
547.97314	1.2
635.30743	18.5
636.30829	4.5
653.31860	18.5
654.31812	3.6
669.25690	1.3
671.32764	26.1
672.32794	6.1
725.25854	1.4
762.81976	1.2
763.38403	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28418	0.4
59.01365	1.0
61.98823	2.0
63.96228	1.8
69.03454	0.5
69.14130	4.9
71.01375	9.6
73.02940	1.6
78.98586	6.1
79.95729	13.4
80.96510	79.9
81.03450	1.4
85.02951	3.5
87.00878	3.1
94.98080	19.1
95.01356	0.5
96.95999	1.1
97.02945	1.4
99.00842	0.8
101.02416	2.7
106.98074	3.6
108.55852	0.5
122.97539	4.1
125.02443	3.5
125.53616	0.5
127.03965	0.9
134.97578	5.7
136.99123	2.1
146.97508	0.6
148.99126	6.9
152.98624	6.8
164.98625	12.6
167.00175	0.7
183.32402	0.5
188.34132	0.5
206.99686	2.6
207.10213	1.0
225.00720	22.2
226.01050	0.7
228.44983	0.4
255.23209	1.9
275.93604	0.4
324.49359	0.4
485.46765	0.5
507.15149	2.9
537.26984	1.4
643.95917	0.5
713.52899	0.6
763.39331	100.0
764.39642	25.3
764.51160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54517	0.4
61.98818	1.2
70.73673	0.5
70.73999	0.6
121.06583	0.4
121.10217	3.0
121.67697	0.4
125.09679	2.6
147.08115	0.5
161.02408	1.1
167.71725	0.4
185.11841	4.5
197.11800	0.7
207.48795	0.5
209.11916	0.6
211.13371	0.6
223.13388	0.9
273.18481	0.6
291.19638	52.8
292.19983	4.9
305.75482	0.4
471.34744	100.0
472.35101	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	764.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03796	0.1
59.01379	1.2
61.98828	100.0
62.98529	0.2
63.59752	0.2
63.99252	0.2
69.23344	0.6
69.23780	0.7
71.01379	0.2
83.01404	0.6
83.43614	0.1
88.98820	0.2
96.96012	0.3
135.04539	0.2
136.05354	0.2
161.02440	0.4
209.11934	0.2
266.13327	0.2
371.15134	0.5
372.15518	0.6
373.15558	0.5
374.15997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86048	0.2
59.01378	1.2
60.01702	0.2
61.98826	100.0
63.80100	0.2
63.99247	0.2
71.01390	0.4
71.52345	0.2
75.00857	0.2
75.28133	0.2
83.01398	0.8
85.02945	0.2
88.98807	0.6
90.09055	0.2
91.63461	0.2
96.96007	0.4
101.02456	0.2
101.53687	0.2
113.02499	0.2
116.92938	0.2
124.91960	0.2
127.70784	0.2
135.04546	0.3
142.61649	0.2
161.02454	0.6
199.36275	0.2
209.11827	0.2
319.44125	0.2
371.15005	0.5
372.15308	0.3
373.15759	0.3
374.16205	0.3
669.25262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98520	0.1
68.71684	0.1
69.85135	0.6
71.01392	0.3
78.98631	0.2
79.95749	0.7
80.96507	3.7
87.00912	0.2
94.98071	0.8
103.74914	0.2
122.97598	0.2
125.02438	0.2
134.97572	0.3
148.99127	0.2
152.98598	0.5
164.98639	0.4
206.99663	0.3
225.00677	1.3
311.83328	0.1
764.39307	0.3
765.40869	6.2
781.62769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
57.03455	0.6
57.98517	0.4
58.00589	0.5
59.01080	0.4
59.01379	8.6
65.03961	25.9
66.04292	0.7
68.99814	1.8
69.03454	4.8
71.01382	9.7
71.50649	0.4
73.02948	2.3
81.03473	0.3
83.01394	2.0
85.02946	4.5
87.00867	0.6
89.02441	4.4
91.05547	0.4
93.03442	3.9
95.01360	0.7
95.05037	2.9
99.00877	2.0
101.02436	5.8
102.02768	0.3
103.05533	0.9
106.04243	1.3
107.05019	0.8
111.00889	1.4
113.02441	5.0
114.56133	0.4
119.03513	1.5
119.05038	2.7
121.02936	0.6
121.06600	15.7
122.06908	0.7
137.06096	0.6
139.04018	34.9
139.07642	1.0
140.04337	1.4
141.01958	3.2
147.04539	0.5
159.03004	0.5
161.04477	0.7
163.07719	0.8
165.05574	19.8
166.05881	1.2
178.26590	0.4
181.05122	0.6
183.06631	19.9
184.06953	1.0
187.60155	0.4
207.06624	0.7
209.04541	7.6
225.07877	0.5
227.05640	2.2
228.09282	0.4
306.56934	0.4
316.65128	0.4
329.08798	0.8
345.11865	24.1
346.12131	1.7
389.10883	100.0
390.11206	10.6
482.45084	0.5
485.43494	0.4
541.16858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.7
57.03433	0.8
59.01375	10.3
65.03957	24.4
68.99812	1.4
69.03447	5.5
69.38338	0.5
69.42296	1.7
69.42711	1.6
71.01376	9.3
72.59704	0.4
73.02930	2.4
74.62550	0.4
76.43176	0.5
83.01365	1.4
85.02950	3.6
87.00917	0.4
89.02432	3.8
89.34522	0.4
91.05505	0.4
93.03434	3.8
95.01378	0.8
95.05036	3.3
99.00881	1.8
101.02431	6.4
103.05505	0.6
106.04228	1.3
106.73058	0.5
107.05079	1.1
113.02434	3.7
115.13004	0.4
119.03492	1.2
119.05003	2.6
121.06585	13.3
122.06934	0.5
137.06104	0.6
139.04002	32.8
139.07611	0.8
140.04358	1.1
142.39862	0.4
143.57704	0.4
161.04521	0.7
163.07632	1.0
165.04176	0.9
165.05559	19.0
165.44762	0.5
166.05890	1.3
177.39725	0.5
179.07155	0.6
183.06615	19.4
184.06931	1.1
209.04539	6.8
227.05582	1.5
244.26131	0.6
345.11841	21.5
346.12167	2.3
389.10858	100.0
390.11176	10.6
431.73495	0.5
454.82932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
60.99303	18.3
61.98816	0.4
65.56149	0.2
69.89435	0.1
70.37600	0.5
71.01379	0.3
87.00885	0.8
88.00393	2.5
88.98800	100.0
89.02433	11.3
89.99126	1.2
90.02797	0.2
98.19970	0.2
101.02435	0.3
277.21625	0.4
327.39438	0.2
397.13434	0.8
415.14508	0.3
426.47809	0.2
462.66373	0.2
587.52301	0.2
614.49701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.5667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58317	0.5
59.01371	1.1
61.98815	1.8
71.01369	0.8
71.32193	0.5
71.52123	0.7
97.06580	3.1
113.97603	0.5
121.10233	1.4
133.02924	1.3
135.04474	0.5
161.02432	2.2
171.10248	4.2
223.13480	1.1
246.34930	0.5
275.20099	10.2
276.20444	1.1
293.21198	16.8
294.21552	1.8
389.28510	0.9
391.30081	3.4
392.30075	0.6
405.31546	3.6
407.33130	6.7
408.33588	0.8
423.29260	0.5
439.31924	1.7
441.33722	3.1
451.32147	9.5
452.32724	1.2
453.33691	46.0
454.34021	7.9
471.34760	100.0
472.35162	17.3
555.14099	0.6
745.84119	1.7
746.33838	0.8
746.84436	2.0
770.46472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
59.96734	0.1
61.98827	100.0
62.98533	0.2
64.16421	0.1
65.15029	0.1
70.52466	0.4
71.01386	0.2
83.01405	0.1
86.03360	0.1
88.98805	0.2
96.96008	0.3
101.02424	0.2
113.02479	0.1
114.79967	0.2
116.92881	0.4
117.03471	0.1
135.04572	0.2
140.30740	0.1
145.02968	0.3
161.02467	0.4
163.04021	0.2
179.03513	0.2
209.11961	0.2
210.12315	0.1
232.31041	0.1
273.72418	0.1
344.16217	0.1
391.97043	0.1
723.35889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56768	0.5
55.01859	0.6
59.01379	17.3
60.78714	0.5
61.98833	6.6
62.82078	0.6
63.99266	0.6
69.16602	2.5
69.17027	2.8
71.01385	2.0
73.02918	0.7
80.96519	3.0
82.96094	1.5
84.22923	0.6
85.02937	1.5
86.09628	0.6
87.00858	1.1
89.02434	1.6
94.98077	0.7
95.80615	0.5
98.20676	1.0
98.91974	0.6
98.94318	0.6
101.02412	2.7
109.10852	0.6
113.02449	1.2
121.39009	0.6
130.23906	0.6
145.05067	0.6
156.63052	0.9
161.04492	1.0
179.10715	0.6
183.13866	5.0
193.12305	1.7
211.13374	94.2
212.13696	4.6
235.08212	5.6
244.51611	0.6
246.65450	0.6
253.09238	7.3
277.21701	100.0
278.22055	11.2
281.85400	0.5
425.06741	0.8
429.21298	1.8
447.22308	4.1
513.30713	1.9
520.66473	0.7
619.11578	0.8
625.76984	0.6
707.43445	0.7
767.40979	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	768.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36634	0.1
59.01377	0.4
61.98827	100.0
62.98535	0.1
71.00984	0.3
71.01370	0.2
73.02960	0.2
81.26468	0.1
85.02968	0.1
89.02457	0.1
96.96021	0.1
101.02467	0.1
105.49700	0.1
109.41823	0.1
113.02460	0.1
133.02951	0.2
135.04520	0.2
135.27414	0.1
161.02464	0.3
173.84494	0.1
185.08455	0.1
188.60905	0.1
189.61670	0.1
216.38013	0.1
264.66238	0.1
273.80502	0.1
283.96115	0.1
649.71582	0.1
768.32062	0.2
769.33148	0.3
792.57184	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	769.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93451	0.3
59.01378	8.4
61.98832	0.6
65.03903	0.4
69.03461	0.6
71.01376	5.1
72.99311	0.8
73.02945	2.2
85.02948	2.2
87.00875	0.7
89.02464	2.1
96.35069	0.3
97.02980	0.8
101.02441	2.5
103.04002	1.8
105.03442	0.9
113.02458	0.9
115.04021	0.7
117.03442	0.9
119.03463	0.5
123.04498	2.3
125.02472	2.5
132.02153	3.0
133.02956	42.8
134.03197	2.2
134.56537	0.4
135.03506	0.8
135.04529	14.7
136.04832	0.5
143.03506	0.6
145.02939	0.7
153.05548	1.4
161.02434	100.0
162.02765	4.7
163.03958	0.4
163.06158	0.5
179.03535	2.6
205.07150	0.6
229.34390	0.3
359.88620	0.4
443.15402	0.4
461.16492	1.0
497.75430	0.4
550.06079	0.4
607.22192	4.8
608.23126	0.8
766.68994	0.4
769.25549	46.4
770.12646	0.7
770.25940	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	769.2555
Annotation	Ecteinascidin 770
Peak:m/z	Relative Intensity
53.92931	0.2
58.00582	0.4
59.01378	7.5
61.98826	0.8
67.13177	0.2
68.55592	0.3
69.03452	0.6
70.26427	0.3
70.26767	1.1
71.01377	5.3
72.01756	0.3
72.99310	0.8
73.02935	2.0
77.03975	0.3
80.27643	0.2
81.03468	0.5
83.01392	0.4
85.02950	2.5
87.00861	0.8
89.02449	2.0
89.03972	0.5
95.01394	0.6
97.02929	0.8
99.00849	0.3
101.02439	2.5
103.04011	1.9
105.03448	0.5
113.02454	1.0
115.04008	0.7
116.61927	0.2
117.03465	1.0
119.03483	0.3
123.04514	2.4
125.02454	2.2
127.03968	0.4
131.03525	0.6
132.02156	2.9
133.02953	43.2
134.03227	1.6
135.04520	13.5
136.04811	0.6
137.02451	0.5
143.03500	0.9
145.02968	0.4
145.05032	0.3
152.24280	0.3
153.05553	1.6
161.02438	100.0
162.02776	5.5
163.03972	0.5
163.06139	0.7
179.03500	2.6
180.03856	0.3
205.07137	0.5
224.75627	0.2
237.72835	0.3
261.07779	0.3
421.71725	0.3
443.15567	0.6
461.16815	1.2
570.27582	0.3
607.22418	4.3
608.22278	0.5
769.25507	43.5
770.25824	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	769.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.03432	0.7
58.00581	0.3
59.01377	12.1
60.01729	0.3
61.98827	22.1
69.55219	0.9
69.55643	0.9
71.01382	8.1
72.99299	0.7
73.02939	2.5
73.46642	0.3
83.01378	1.5
83.87892	0.3
85.02949	2.9
87.00874	0.9
88.98798	0.7
89.02442	4.1
95.01367	0.9
95.63113	0.3
96.96000	2.4
98.20686	0.5
99.00864	0.6
101.02441	5.6
113.02454	2.8
119.03489	1.3
125.02437	0.8
133.02950	1.3
135.04500	1.1
145.02856	0.4
161.02425	3.2
161.04431	0.6
162.02791	0.4
179.03485	0.6
191.05574	0.4
194.62459	0.3
313.23770	1.6
341.26993	3.4
357.26242	0.4
359.28006	12.6
360.28339	1.5
373.29462	0.3
383.37054	0.3
401.29077	0.3
503.32254	8.9
504.32745	1.1
517.60699	0.3
521.33258	100.0
522.33600	17.4
545.33197	0.9
563.34253	3.7
564.34637	0.7
605.35657	0.4
623.19537	0.9
665.37726	0.3
680.33008	0.3
706.23645	0.3
725.40082	1.4
769.26550	0.6
769.41516	0.3
770.24353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
70.52274	0.5
73.61308	0.2
75.98538	0.2
80.96480	0.3
108.13177	0.2
150.08650	0.2
211.13390	0.4
264.65860	0.2
738.52704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
59.85386	0.5
61.98826	0.5
63.02398	1.2
65.00314	2.2
65.03955	1.0
69.15958	4.4
73.71970	0.4
83.01391	1.5
93.03432	0.7
101.02422	0.7
107.01387	4.7
108.02181	1.0
109.02917	0.9
112.19539	0.4
121.02962	4.4
133.02911	0.8
135.00862	0.6
135.04504	0.8
138.05573	0.6
139.03947	0.9
148.01689	0.8
151.00363	21.4
152.00719	0.9
161.02403	2.8
163.00337	1.4
164.07071	0.5
178.99847	10.2
179.03401	1.0
180.00214	0.8
191.05611	1.0
193.01309	0.6
203.03415	0.6
211.03926	1.0
226.02742	1.3
227.03482	1.3
229.05104	0.9
243.02907	5.3
244.03552	1.0
245.04512	1.1
254.02170	1.4
255.02950	16.3
256.03400	1.7
271.02448	32.8
272.02936	3.6
273.03937	1.6
283.02505	1.0
299.02014	3.1
300.02719	73.8
300.39554	0.5
301.03461	63.9
302.03912	5.7
303.79263	0.5
463.08746	11.7
464.09183	1.5
498.49957	0.6
609.14569	100.0
610.14807	18.8
771.19885	3.5
772.20917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.2
65.00307	1.0
65.03950	2.0
69.03413	1.2
70.27180	2.1
70.27573	2.1
71.01373	10.5
72.09988	0.8
72.99294	1.0
73.02930	2.4
78.04265	0.8
78.22801	0.8
83.01384	1.6
85.02930	3.6
87.00904	1.0
89.02444	9.7
93.03426	1.4
95.01390	1.3
97.02937	1.0
99.00861	1.9
101.02425	4.0
105.03462	1.8
107.01391	1.5
107.05013	0.9
109.02962	2.1
113.02444	4.8
117.03499	1.3
119.04977	1.6
121.15665	0.9
122.03733	1.3
123.04523	12.9
125.02444	3.0
129.38684	0.8
131.03439	1.0
132.02202	2.1
133.02946	42.3
134.03676	1.2
135.04521	39.5
136.04829	2.1
137.06070	2.0
138.05609	1.8
138.06863	0.9
139.04002	1.7
147.04530	1.4
149.02451	1.2
149.04570	1.2
150.03209	7.9
151.00357	5.3
151.02901	1.5
151.04004	21.3
153.09160	2.7
159.03139	1.0
161.02431	100.0
161.04573	3.1
162.02776	7.2
163.03951	1.2
164.07086	1.2
175.03984	1.1
178.99875	2.3
179.03484	52.7
180.03815	2.9
183.06516	2.4
191.05525	0.9
193.05064	1.4
203.03438	1.7
205.05052	1.0
206.08319	2.1
223.13335	2.0
243.02969	1.6
255.02956	3.1
271.02448	8.6
281.10309	1.3
299.01883	1.6
299.11395	1.8
300.02734	16.6
301.03406	10.8
302.03922	0.9
341.12277	4.4
385.18561	2.3
463.08636	3.5
591.19055	3.3
609.13953	18.8
610.14911	3.7
661.19720	3.9
753.22369	18.2
754.22815	2.6
771.23419	46.4
772.23767	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	771.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03433	0.7
59.01374	100.0
60.01702	1.5
61.98818	0.4
69.50200	1.9
71.01373	11.3
72.99320	0.4
73.02949	3.8
73.36269	0.2
83.01385	1.7
85.02937	5.4
87.00886	0.6
89.02437	2.8
90.04722	0.3
95.01416	0.6
98.19904	0.6
99.00857	1.4
101.02434	8.7
107.05046	0.3
113.02443	4.4
119.03523	0.3
121.54094	0.4
125.02438	0.6
131.03491	0.6
133.02991	0.6
135.04584	0.4
138.48325	0.3
143.03514	0.6
149.04552	1.7
151.00359	0.4
151.04060	0.3
159.03009	1.3
161.02449	1.4
161.04529	5.0
170.28389	0.3
179.03384	0.4
191.05656	0.7
255.03043	0.6
265.98416	0.4
269.10278	11.9
270.10577	1.0
271.02264	0.6
300.02634	1.8
301.03326	1.3
311.11334	7.6
312.11816	0.7
415.16208	1.2
495.82135	0.3
616.10400	0.3
771.19385	1.9
772.20953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.3
59.01376	100.0
60.01706	1.2
60.73322	0.3
61.36570	0.3
61.71268	0.3
61.98823	2.5
63.22209	0.3
70.26429	1.0
71.01379	0.6
83.01380	4.9
88.40738	0.3
89.02461	0.4
93.03468	0.3
96.96003	0.5
113.02467	0.3
116.92851	0.9
121.02934	2.2
122.03744	1.2
123.00880	0.5
135.04544	0.3
136.05278	4.2
137.02380	0.4
137.06053	0.4
138.03127	0.4
145.02966	0.3
149.06073	0.3
161.02505	0.4
161.04535	0.7
168.04265	0.6
175.61516	0.3
209.06041	0.3
210.06847	0.4
225.05547	0.5
225.09152	0.4
226.06317	0.5
234.26958	0.3
237.05553	1.2
238.06232	0.7
239.07045	0.4
241.08698	0.9
253.05090	1.3
253.08649	0.3
254.05887	2.9
255.06509	0.6
256.20346	0.3
265.04987	1.0
266.05746	1.4
267.06458	0.9
268.07291	0.9
269.08142	7.3
270.08539	0.6
281.08218	0.7
283.09729	2.5
293.08151	0.8
294.08994	0.7
323.12894	0.3
338.07965	0.5
352.09521	0.5
353.10287	0.4
367.11856	1.3
485.15933	0.3
488.18362	0.6
489.15472	3.6
490.15985	0.9
499.17307	0.5
501.08035	0.5
501.15442	6.9
502.15640	1.6
504.17874	8.0
505.17975	1.5
516.17810	5.8
517.18488	0.9
519.20190	65.9
520.12549	0.4
520.20520	13.0
531.20203	47.0
532.20575	8.8
549.21118	0.4
638.18494	0.3
645.06152	0.3
655.85229	0.3
671.25079	0.3
771.32690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
58.00584	2.9
59.01373	72.2
60.01699	1.6
61.98818	6.6
71.01377	52.4
71.53825	1.1
72.99291	3.3
73.02939	3.6
83.01379	11.0
85.02928	5.1
87.00866	3.4
87.04457	1.3
89.02437	68.4
90.02793	1.2
95.01376	2.5
96.95988	8.9
99.00877	1.0
101.02438	27.5
102.02785	1.0
109.02881	1.0
113.02441	23.6
119.03502	24.7
121.02917	5.6
122.03699	2.0
125.02399	1.1
131.03467	3.3
133.02910	1.6
135.04512	1.7
136.05305	9.7
137.06067	1.7
143.03510	7.2
145.02899	1.8
149.04532	3.3
158.54480	0.9
161.02391	3.1
161.04535	7.6
168.04247	2.6
179.03825	1.3
179.05586	21.0
209.06039	2.2
210.06789	1.3
225.09215	1.1
237.05611	7.7
238.06203	3.3
239.06870	1.4
250.06346	1.9
251.07033	1.5
253.08685	1.9
265.05038	5.0
265.08109	0.8
266.05786	8.5
267.06311	1.3
269.28674	0.9
280.07407	2.2
281.08148	3.6
473.16000	4.9
485.15698	2.2
488.18277	1.9
501.15460	36.3
502.15689	6.0
507.44180	1.2
516.17767	13.4
517.17957	2.2
531.20166	100.0
532.20593	19.7
667.40228	2.0
727.38873	1.3
771.33411	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.22906	17.3
71.01384	28.1
71.52071	17.8
71.52479	21.5
84.64528	16.4
88.02238	19.4
111.93441	19.4
112.98571	39.7
137.62360	21.8
144.66750	19.9
161.02507	21.7
223.13409	57.5
293.21259	54.8
372.97345	25.6
439.17667	19.9
771.40668	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01099	0.8
59.01374	6.6
61.98824	7.9
64.51215	0.4
65.96075	0.4
69.03420	1.1
71.01381	5.1
71.05006	1.4
72.99310	0.5
73.02954	1.3
80.02684	1.5
81.03442	1.3
81.71214	0.4
82.95407	0.5
83.01380	1.1
83.05035	5.0
85.02940	2.2
87.00336	0.4
87.00871	1.0
87.04498	0.7
89.02458	2.1
91.05537	0.5
91.38891	0.4
91.72032	0.4
95.01402	0.6
95.05037	1.0
96.95998	1.1
97.02954	1.8
97.06574	1.8
98.20768	1.0
101.02454	3.9
107.05029	0.9
109.06584	11.3
113.02442	2.6
113.06136	0.4
114.93308	0.5
116.92790	0.7
119.03493	1.2
120.42672	0.4
121.06582	0.5
121.83723	0.4
123.08162	0.5
125.02414	0.4
125.06098	1.3
125.09695	0.7
127.07621	1.3
135.04494	0.4
135.08156	1.0
143.03468	0.6
145.05049	0.7
151.11243	0.7
161.02463	1.1
161.04565	1.6
162.02927	0.4
163.11293	6.0
165.12816	2.1
169.12331	2.3
171.10269	4.1
179.03477	0.4
179.05547	0.6
179.10739	0.7
181.12326	1.9
183.13898	0.9
191.10814	0.9
193.12312	0.6
197.11812	14.6
198.12177	1.0
199.13385	1.1
207.10258	9.3
208.10669	0.6
209.11806	100.0
210.12134	7.3
211.13371	8.9
212.13721	0.6
225.11278	4.3
227.12880	13.1
228.13219	0.6
229.14439	0.9
235.08202	4.6
235.13414	3.1
237.14832	1.3
239.12866	0.7
249.14960	0.7
253.09279	15.4
254.09621	0.7
289.18036	1.4
291.19684	1.0
307.19250	2.1
309.20648	1.4
325.20160	35.7
326.20523	3.6
327.21738	9.6
328.22061	0.9
335.66116	0.4
443.18994	0.6
445.20786	1.9
454.56769	0.6
461.20200	0.8
561.29004	1.6
563.30603	0.9
753.41309	0.9
771.41803	4.1
772.41541	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81992	0.1
59.01367	0.8
61.98826	100.0
63.99255	0.3
69.42160	0.1
71.01382	0.6
72.99348	0.1
73.02944	0.1
77.01604	0.2
83.01394	0.3
85.02958	0.1
89.02450	0.3
90.62238	0.1
90.75660	0.1
96.96004	0.8
101.02458	0.2
106.76815	0.1
111.98995	0.1
113.02435	0.2
116.92869	0.4
119.03539	0.1
134.03757	0.2
135.04550	0.2
136.05307	0.2
137.06056	0.2
143.07277	0.1
145.02936	0.1
151.07597	0.3
157.88976	0.1
160.01698	0.5
161.02493	0.4
175.03999	0.7
179.73956	0.1
182.61325	0.1
190.47200	0.1
192.00975	0.1
193.05141	0.2
209.11789	0.1
241.03613	0.1
283.78925	0.1
337.09326	0.3
361.30045	0.1
516.38483	0.1
557.42889	0.1
669.39154	0.1
709.24792	0.6
710.25580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.8
60.99304	18.2
61.98832	2.0
69.33581	1.9
71.01395	1.3
79.02399	0.2
80.96496	0.6
83.01385	0.4
85.02929	0.6
86.99883	0.3
87.00858	0.7
88.00397	0.5
88.98802	100.0
89.02435	3.4
89.99133	1.1
96.96021	0.3
101.02425	0.5
111.64900	0.2
113.02433	0.7
121.02962	0.3
133.02942	1.4
133.83871	0.2
135.04530	1.2
137.02464	0.3
139.03989	0.2
140.02785	0.2
143.47467	0.2
145.02939	0.3
149.02451	1.2
161.02428	3.0
161.04520	0.3
179.03523	1.1
227.02831	0.3
243.56429	0.2
357.13629	0.3
371.14941	0.3
431.13977	0.3
622.19220	0.5
635.81177	0.3
719.25586	2.1
720.25623	0.4
763.60156	0.3
773.33417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58202	0.1
59.01375	2.1
59.26726	0.1
60.99314	0.1
61.98831	0.8
63.97245	0.1
67.01900	0.3
69.03483	0.2
69.23373	1.2
71.01381	0.7
73.02936	0.3
81.03476	0.3
85.02948	5.1
85.03473	0.3
87.00851	1.3
88.82660	0.1
89.02414	0.2
93.03449	2.7
94.03802	0.2
96.96019	0.1
97.22615	0.1
99.04526	0.3
101.02443	0.3
103.81161	0.1
109.02959	0.5
111.04533	1.0
113.02427	0.3
117.03419	0.2
119.05046	0.8
124.84066	0.2
127.04005	1.5
133.01433	0.3
137.02441	0.2
145.02917	0.8
155.03452	0.3
156.43951	0.1
161.02435	0.3
163.04007	1.3
171.02972	0.5
173.04549	1.6
179.03477	0.2
191.05602	100.0
192.05949	4.0
297.06372	0.1
337.09265	26.1
338.05887	0.2
338.09634	2.6
359.29886	0.1
512.94012	0.2
518.80908	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50665	10.7
58.30115	12.3
59.01402	14.0
60.00783	10.7
61.98831	88.7
65.16293	12.5
70.02297	34.2
77.45241	10.6
86.99084	10.7
102.41293	10.8
111.68230	11.6
119.51456	11.2
141.67438	10.4
153.88092	10.9
161.02409	15.9
172.01837	12.9
195.13779	12.6
205.80121	12.3
207.10229	62.9
209.11839	11.3
212.50856	11.4
225.11317	18.4
253.09332	15.9
293.21255	100.0
587.53784	11.6
588.88916	12.1
626.42194	11.9
721.50214	12.1
737.41437	56.5
773.38892	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	774.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49926	0.1
57.09579	0.1
59.01374	1.8
60.01709	0.2
61.01810	0.1
61.98829	100.0
62.98537	0.2
71.01380	0.2
71.17520	0.1
71.70881	0.1
83.01385	0.1
88.98820	0.3
89.02423	0.1
133.02997	0.2
145.02960	0.2
145.16414	0.1
161.02461	0.4
162.02858	0.1
179.03375	0.1
297.38962	0.1
371.15027	0.2
519.19824	0.1
520.20905	0.3
521.21082	0.3
522.21387	0.4
527.75238	0.1
531.19983	0.1
532.20685	0.3
533.21179	0.3
534.21381	0.3
569.54163	0.1
719.25848	0.2
720.26093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50162	1.2
57.06222	1.0
59.01379	11.4
61.98799	2.3
65.03956	16.7
68.99809	1.9
69.03454	4.8
71.01376	8.8
71.51950	1.8
71.52337	1.3
73.02953	2.4
85.02921	2.1
89.02431	2.7
93.03452	3.1
95.05007	1.6
99.00911	1.3
101.02430	4.6
103.04781	1.0
108.61228	1.3
113.02459	5.3
119.03558	2.0
119.05027	1.8
121.06600	7.4
122.06110	2.9
123.04522	1.3
125.02411	1.4
127.74677	1.1
132.04529	4.5
133.02905	1.8
133.05333	1.4
135.04495	2.6
139.04002	14.4
147.04538	1.1
150.05588	2.7
158.02458	2.0
160.04045	1.7
161.02441	4.6
165.05527	8.8
176.03535	2.1
179.03470	1.3
183.06590	4.3
184.07722	1.6
190.05104	3.1
198.04306	2.6
198.09248	1.5
199.08765	2.1
209.07216	2.3
210.09233	2.3
211.05005	3.4
211.08640	2.3
212.05864	3.9
213.06633	2.3
215.11794	2.2
223.09012	1.7
225.06802	2.9
226.07364	2.5
227.08249	8.7
229.09773	4.5
237.10364	3.0
238.08752	4.1
239.04607	3.5
239.08223	7.6
239.11958	4.2
241.09833	11.3
249.06590	1.6
250.07422	4.0
252.05394	5.2
253.06151	4.9
253.09779	12.4
254.03281	15.3
255.07782	6.1
255.11275	2.9
263.08218	1.3
265.06198	3.2
265.09805	7.9
265.55887	1.5
266.07111	4.1
267.07712	27.5
268.08353	2.6
281.09302	30.4
282.09698	2.8
283.10873	29.9
284.11246	1.9
287.10434	2.9
307.10944	1.4
309.08780	69.9
310.09174	7.1
327.09784	9.8
328.09769	1.3
341.11380	4.5
345.11716	3.6
351.09811	1.7
353.07779	9.8
369.10922	1.5
389.10791	11.7
641.94244	1.5
655.12030	1.6
655.21295	7.2
699.20361	37.7
700.20355	9.4
731.25537	1.5
743.19385	100.0
744.19788	24.3
775.21692	11.7
776.22577	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	775.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.9
58.99594	5.9
59.01380	26.3
60.97512	3.4
61.98832	12.9
71.01376	14.0
71.34156	3.2
72.99299	1.8
73.02939	5.5
75.75127	1.5
82.20593	1.4
83.01384	100.0
85.02939	4.6
87.00867	3.1
88.97032	21.3
88.98777	4.0
89.02439	5.2
90.98563	5.9
93.03455	16.9
95.01384	8.7
95.05015	8.4
96.00406	2.6
96.95988	2.9
99.97594	1.6
101.02456	9.0
107.05027	7.9
107.99753	1.7
108.02148	2.5
109.01212	11.4
109.02943	5.3
111.02732	7.2
113.00655	2.9
113.02423	7.3
117.03442	14.7
119.03488	1.7
119.05026	27.5
120.05310	1.9
121.02948	76.7
122.03658	1.8
123.00851	2.7
123.04494	6.3
133.02933	11.9
134.03642	1.9
135.04501	9.5
136.05287	26.9
137.00671	21.5
137.02399	2.6
137.06065	4.6
139.04008	3.4
145.02954	47.3
146.03787	14.1
147.04518	2.0
148.11122	1.6
149.00636	2.2
149.06061	2.7
149.09686	1.6
150.03197	2.4
151.02214	16.7
151.04015	5.3
153.03787	11.5
155.01715	20.0
159.04553	1.6
161.01102	2.2
161.02423	19.1
161.04572	2.0
161.06003	1.8
162.02728	2.9
163.04034	13.3
165.01917	39.1
165.05551	2.2
168.04279	7.5
177.05495	3.1
179.01723	82.1
179.03400	9.3
180.02016	4.9
189.01933	22.4
197.02754	5.8
199.00682	52.4
200.01073	2.7
203.03506	2.0
209.11696	2.0
223.00700	7.7
235.09796	2.3
241.01729	25.2
254.79570	1.7
293.99237	1.8
317.29083	1.8
346.43851	1.6
356.12576	8.0
357.13318	5.0
371.15048	31.2
372.15256	3.6
385.05789	3.3
600.19220	1.7
622.18866	2.6
627.36554	1.8
719.25653	11.6
720.26031	4.0
721.25836	3.2
733.83911	2.0
757.21686	46.7
758.21515	12.3
775.22607	60.9
776.22821	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	775.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	5.0
61.98846	2.9
63.81665	0.6
71.01396	3.2
71.53611	0.8
73.02979	0.7
77.45486	0.6
78.95911	0.8
81.03479	0.8
85.02962	0.9
87.00875	0.7
89.02467	2.2
91.08707	0.5
93.03485	3.1
95.01391	0.7
96.96023	2.0
101.02473	1.7
109.02953	4.8
113.02439	1.0
119.03481	0.8
121.02950	6.2
122.03743	13.2
123.00920	1.8
123.04536	1.8
124.01631	2.0
125.02454	1.2
133.02975	3.7
134.03743	1.5
135.04506	2.4
136.01653	1.5
137.02441	13.9
139.00418	1.3
139.04002	1.4
145.02997	1.2
147.04445	0.8
149.02429	24.0
149.06071	1.2
150.03218	96.0
151.00343	10.0
151.03938	4.9
152.01193	1.6
152.04778	5.4
153.05545	0.8
156.32068	0.6
159.04454	1.2
161.02502	4.4
162.03131	1.2
163.03981	1.0
164.04808	6.5
165.05556	100.0
166.02708	32.9
166.05823	5.6
167.03392	2.3
175.03954	2.9
177.01939	1.6
177.05551	2.6
178.02672	1.3
179.03450	2.6
179.07104	1.6
180.04292	6.5
181.05051	39.1
182.05376	1.6
184.03760	1.4
187.03955	2.9
190.06293	1.6
191.03470	1.2
193.05046	3.8
195.06615	58.0
196.06938	2.8
202.06223	1.0
203.03529	0.8
204.04271	0.8
205.05046	8.5
207.06598	1.3
219.06593	1.3
220.07419	6.0
221.08131	1.4
239.03296	0.7
315.08408	1.9
325.07205	0.9
329.10046	1.9
339.08621	1.1
355.11606	0.7
359.11234	1.0
369.13437	1.0
371.11053	1.1
372.11887	1.7
380.37085	0.7
386.13470	1.0
387.10010	5.7
387.15085	6.4
402.13086	4.1
403.13446	2.4
415.13916	1.0
416.14569	2.5
417.15488	50.8
418.15930	5.8
449.77414	0.9
491.99634	0.8
535.15796	2.5
550.17828	1.9
565.20734	56.3
566.21149	10.9
583.21417	2.6
595.21246	2.2
613.22845	43.4
614.23175	11.0
719.25464	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.9
61.98818	7.3
69.65778	5.8
71.01366	4.9
72.99294	1.3
73.02930	1.2
85.02937	1.8
89.02399	1.8
93.03440	4.2
95.01404	1.1
95.05051	1.3
96.95996	13.9
98.19857	1.0
101.02444	3.3
107.66428	1.0
108.02149	1.3
109.02938	4.2
110.83325	0.9
111.37353	0.8
113.02428	1.4
119.03500	1.5
121.02954	6.6
121.06611	1.0
122.03721	12.9
123.00837	1.5
123.04510	0.9
124.01686	2.1
125.02470	1.5
133.02930	5.3
134.03755	1.9
135.04492	4.0
136.01654	2.0
137.02437	12.6
139.00386	1.7
139.03983	2.2
141.41629	0.9
145.02942	2.0
149.02434	25.8
150.03217	93.1
151.00357	8.9
151.03964	5.2
152.01050	1.6
152.04764	4.6
153.05542	1.1
161.02412	7.7
164.04733	6.2
165.05553	100.0
166.02695	31.7
166.05856	5.5
166.57605	0.9
167.03375	2.4
175.04013	2.8
177.01936	2.7
177.05513	1.8
178.02722	1.0
179.03493	3.7
179.07150	2.0
180.04280	7.9
181.05048	44.8
182.05376	3.0
184.03705	1.0
187.03973	3.2
189.05592	1.2
190.06268	1.2
191.03461	1.2
192.04074	1.7
193.05061	2.4
195.06601	60.9
196.06923	3.5
204.04131	1.2
205.05045	7.3
206.05789	1.8
207.06682	1.1
216.80016	1.0
220.07349	5.7
221.08147	1.6
233.08205	1.2
239.03770	1.2
266.87650	1.2
297.07474	1.1
315.08643	2.1
329.10272	3.0
345.63464	1.0
357.09479	1.1
359.10959	1.0
372.11871	2.0
386.13483	1.4
387.09818	5.0
387.15073	7.9
402.13120	4.4
403.13580	2.1
416.14682	2.8
417.15509	60.6
418.15756	7.3
520.17358	1.5
535.16113	3.0
550.18213	2.5
565.20709	61.0
566.21008	13.8
583.21490	3.2
595.21606	2.2
613.22827	53.8
614.23071	9.6
716.07593	1.3
719.25757	1.5
775.34198	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	775.318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	4.7
59.01377	100.0
60.01714	1.3
61.98825	19.3
69.46410	7.4
71.01377	76.5
72.99316	7.6
73.02940	3.1
75.00847	1.4
83.01369	4.2
85.02941	11.7
87.00867	5.4
88.98814	2.5
89.02439	94.8
89.08415	1.1
90.02785	1.2
91.87189	1.0
95.01399	5.3
95.04932	1.1
96.96019	1.9
99.00916	1.0
101.02438	36.1
109.02927	1.1
109.34140	1.1
113.02449	32.8
119.03497	35.2
119.04971	1.4
121.02955	2.4
123.00884	0.9
123.04483	1.2
125.02416	2.3
131.03485	4.3
133.02940	6.6
134.03754	1.5
135.04465	3.4
137.02426	2.0
143.03502	9.7
145.02922	3.2
149.02444	1.4
149.04532	4.7
150.03215	2.3
151.07637	1.0
161.02455	12.5
161.04506	10.6
162.02736	1.3
163.03998	2.0
164.04747	1.2
165.05536	3.7
177.05623	1.3
179.03558	3.6
179.05609	36.2
179.07050	1.3
180.05902	1.4
195.06589	1.9
203.03403	1.7
237.05521	1.4
238.06262	3.3
249.05130	1.0
250.06346	1.3
265.05133	1.2
266.05807	7.9
293.33484	1.1
298.04498	1.7
319.16663	2.6
323.09119	1.1
395.78705	0.9
417.21542	1.3
477.19037	3.6
492.21844	1.5
505.18579	17.7
506.18832	2.9
519.20050	1.8
520.20911	12.7
521.21179	2.7
535.23309	50.6
536.23706	9.5
565.20850	1.2
719.25836	7.4
720.25336	1.5
769.51373	1.0
775.29352	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
58.00613	0.6
59.01377	36.3
60.01718	0.7
61.98827	1.2
64.57519	0.4
71.01380	8.5
71.52902	0.6
72.99302	0.6
73.02947	1.0
74.12857	0.5
80.86425	0.4
83.01396	0.8
85.02942	1.8
85.47018	0.5
87.00861	0.7
89.02435	6.8
95.01363	0.9
96.96016	0.8
101.02428	6.7
113.02436	4.3
119.03472	3.1
121.06610	0.6
123.02435	0.4
123.08131	0.5
133.02931	0.4
135.04538	0.9
137.02492	0.5
139.03970	0.5
140.07162	0.8
161.02486	2.5
161.04523	0.8
163.04004	0.5
163.11281	3.9
179.03709	0.5
179.05507	0.9
184.70435	0.5
189.12740	0.5
191.05553	0.5
207.10225	8.4
347.34006	0.4
387.16568	100.0
388.16910	9.7
449.28537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	9.9
61.98816	28.7
67.71201	4.8
71.01372	6.4
76.87939	4.5
83.95236	4.2
87.00842	4.7
98.20679	9.8
101.02473	4.5
109.06553	12.8
111.34315	4.7
132.52156	3.9
148.12088	4.7
163.11288	6.0
171.10233	14.5
172.17932	4.5
199.09782	30.1
207.10213	59.7
225.11301	50.1
235.08191	7.6
248.69693	5.3
253.09206	16.8
277.21689	100.0
278.22018	14.0
435.18604	13.3
438.79449	4.9
443.19077	10.4
461.20172	13.2
513.30988	6.6
695.39972	62.8
696.40350	16.7
710.04095	4.8
721.41766	52.0
722.41907	12.7
775.39783	23.4
776.40869	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	775.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.9
61.98829	35.8
66.37793	3.8
71.01367	7.1
71.06651	8.0
73.02969	3.4
89.02438	5.8
101.02454	6.4
109.06574	7.4
113.02425	3.9
121.21410	3.4
132.38246	3.7
166.46997	3.5
171.10245	23.3
196.32739	4.2
199.09737	16.2
207.10262	30.3
225.11313	66.2
226.11783	5.2
235.08298	17.8
253.09294	14.0
277.21701	100.0
278.22192	10.8
310.92542	3.8
443.19040	11.2
461.20334	26.0
462.20087	5.2
513.30902	12.2
695.40027	55.5
696.40039	12.4
721.41357	64.6
722.42133	19.3
775.40570	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	775.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	8.2
61.98824	23.2
68.83083	3.6
70.36710	10.2
72.84703	3.0
114.54739	4.0
135.04489	6.2
150.65524	4.2
161.02420	11.9
195.13867	3.6
209.11792	79.2
210.12090	6.6
223.13255	4.1
227.12881	20.5
235.07948	4.2
253.09285	25.6
275.20111	7.8
293.21219	100.0
294.21552	10.1
445.20386	5.3
529.30273	10.0
775.40265	60.1
776.41211	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	775.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97449	0.1
57.74769	0.1
60.68806	0.1
61.98827	100.0
62.98535	0.3
70.34486	0.4
106.92454	0.1
117.66035	0.1
138.78055	0.1
143.55928	0.1
209.37869	0.2
257.47437	0.1
300.05084	0.1
316.13382	0.1
517.10980	0.1
579.09363	0.1
788.08319	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98798	4.5
67.60021	3.0
69.38235	6.5
69.38649	11.8
71.01371	3.1
71.21987	2.5
79.22709	2.2
82.11008	2.4
86.23489	2.0
92.14732	2.0
135.04579	2.5
155.78799	2.3
161.04645	3.6
201.11293	36.5
202.11653	2.6
209.11807	62.8
210.12166	4.2
227.12863	14.8
235.08203	9.4
246.51501	2.2
253.09348	13.9
277.21680	100.0
278.22018	8.8
318.17172	2.5
325.11502	2.3
419.19485	2.9
437.19876	4.3
445.20767	7.7
513.30444	12.1
697.42139	5.0
724.78351	2.4
777.41730	25.7
778.42444	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	779.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03428	0.6
59.01376	8.7
65.03959	22.2
66.04292	0.7
68.99818	1.0
69.03452	5.4
71.01378	9.3
71.50535	0.2
71.50937	0.3
72.99304	0.6
73.02940	1.8
81.03450	0.6
83.01374	1.1
85.02943	3.5
87.00883	0.5
89.02431	3.3
91.05519	0.3
93.03449	4.2
95.01392	1.3
95.05003	2.6
97.02963	0.3
99.00867	1.8
101.02435	6.8
103.05535	1.0
106.04252	1.4
107.05023	0.9
111.00880	1.0
113.02448	4.2
114.20911	0.2
119.03490	1.2
119.05027	2.4
121.02966	0.5
121.06586	16.1
122.06908	0.6
124.05814	0.2
125.02405	0.3
133.01376	0.5
133.06647	0.3
137.06058	0.7
139.04005	33.3
139.07668	1.0
140.04346	1.4
141.01935	1.6
143.03502	0.3
145.06633	0.3
147.04504	0.4
149.04510	0.4
159.02979	0.4
161.04497	0.7
163.07613	1.0
165.05551	20.3
166.05891	0.8
179.05566	0.4
179.07080	0.3
181.08749	0.2
183.06610	18.6
184.06943	0.7
189.03938	0.3
207.06572	0.6
209.04518	6.9
225.07703	0.5
227.05589	2.1
230.36588	0.3
249.02240	0.2
301.13025	0.2
329.08801	0.6
345.11856	22.1
346.12204	1.8
348.37231	0.3
389.10855	100.0
390.11185	9.1
581.89056	0.2
681.82538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72373	0.6
59.01376	18.7
61.98829	4.5
67.61684	0.6
69.03448	1.7
71.01376	3.6
71.05016	0.7
71.51473	0.6
78.95896	0.9
79.95724	0.8
80.96519	3.7
83.04993	0.7
87.00870	1.1
89.02418	2.6
91.28630	0.6
91.55615	0.6
93.03445	0.7
94.98111	0.8
100.24708	0.6
101.02446	3.6
109.06572	1.0
113.02444	1.9
116.92880	0.9
119.03493	0.7
149.09717	0.8
161.04575	1.1
167.10759	3.0
179.05617	0.9
179.10835	1.3
179.14403	2.8
195.13884	9.7
205.12282	8.9
207.10176	0.9
223.13371	100.0
224.13686	5.7
225.00638	1.1
225.11292	0.9
235.08217	2.5
253.09254	8.3
255.23347	1.5
277.21683	65.0
278.22031	6.8
441.21335	2.8
442.21765	0.8
459.22299	16.4
460.22760	2.2
592.78705	0.8
719.44092	3.1
720.44037	1.0
779.39404	7.6
780.40540	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	782.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81152	0.5
57.03431	0.5
58.70184	0.4
59.01376	7.0
61.98537	0.9
61.98826	11.3
64.10684	0.4
69.11184	0.4
69.37997	0.9
69.38405	2.5
71.01372	6.6
72.99329	0.6
73.02937	1.4
81.03474	0.5
83.01381	0.6
85.02949	7.0
87.00861	1.3
87.04501	0.5
88.98799	0.6
89.02441	2.3
93.03427	0.9
95.01397	1.9
98.19907	1.0
99.00905	0.6
101.02445	1.9
103.03979	0.5
105.03429	1.0
106.93684	0.5
109.02986	0.5
113.02438	10.6
116.92857	0.6
117.03491	0.8
119.03477	0.8
123.04480	0.8
127.84164	0.6
131.03502	0.7
132.02187	2.8
133.02948	38.9
134.03664	1.6
135.04515	13.6
143.03490	1.8
149.05997	0.9
159.04495	0.8
161.02431	100.0
162.02774	4.9
173.04630	0.5
173.06038	1.4
174.59782	0.5
179.03477	10.0
187.03905	1.1
187.07632	5.6
191.05534	3.1
192.05843	0.7
201.05629	1.3
202.06337	8.7
203.06758	0.8
205.07135	0.6
213.09090	0.8
216.07863	1.2
231.10205	8.6
249.11316	1.5
330.68933	0.5
557.22266	5.7
558.22522	0.9
621.18500	0.7
701.24738	0.7
719.25488	84.8
720.25922	18.4
741.63055	0.6
782.28894	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	782.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01376	6.5
60.97120	0.5
61.98826	24.2
69.03451	1.3
71.01374	5.8
71.53747	0.7
72.99321	0.7
73.02941	2.8
75.67500	0.4
83.01386	1.4
85.02951	3.8
87.00866	3.6
87.04527	0.7
89.02445	2.4
92.49284	0.5
93.03475	0.7
93.66821	0.4
94.03758	0.4
95.01401	1.1
96.96002	1.3
101.02439	4.3
103.04027	0.9
105.03460	0.7
109.02962	0.6
111.00912	0.5
113.02436	6.3
115.04029	0.8
117.03470	1.1
119.03487	1.3
119.05009	0.5
121.02961	0.7
122.03732	1.5
123.04525	0.9
125.02489	0.8
131.03493	1.5
132.02179	2.0
133.02946	41.2
134.03697	2.0
135.04512	17.8
136.04861	0.6
137.02428	1.4
139.03998	0.8
143.03490	2.5
145.03000	0.6
146.03761	0.6
147.04530	0.6
149.02415	2.9
149.06114	0.6
150.03239	7.4
151.03990	2.3
159.04524	0.9
161.02429	100.0
162.02783	4.2
163.03973	2.0
163.06036	0.7
164.04826	0.5
165.05542	7.0
166.05888	1.2
174.10274	0.5
177.05528	1.4
178.06317	1.6
179.03487	11.6
179.07068	0.6
180.04010	1.2
185.00864	0.6
187.03966	0.7
187.07605	1.8
191.05562	0.7
193.08710	2.0
195.06641	3.3
196.06888	0.6
201.05415	0.7
202.06361	2.7
203.03447	2.6
203.10753	1.9
205.07146	1.9
216.07852	0.6
220.07364	0.5
221.04527	0.9
231.10217	3.5
249.11290	0.9
387.14212	0.6
397.84998	0.5
411.16312	0.5
487.14554	0.8
508.20908	0.8
536.19934	0.6
538.21301	0.7
539.21570	0.8
557.22443	3.7
558.22314	0.8
583.21600	0.9
584.22211	1.3
585.22705	0.6
621.18121	1.0
622.18958	1.5
686.26880	1.1
701.24744	0.5
716.28064	0.8
719.25488	73.8
720.25873	17.0
734.29004	0.7
782.29163	1.4
783.31726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.5
59.01374	7.1
61.98826	12.7
69.03458	0.5
71.01376	7.1
71.52295	0.4
71.52679	0.4
72.99306	0.7
73.02944	2.5
83.01404	0.6
85.02939	2.3
86.00071	0.4
87.00863	2.8
87.04507	1.0
89.02450	5.5
89.03976	0.6
89.35191	0.4
93.03482	0.4
101.02438	4.6
103.03998	1.0
105.03463	0.6
113.02422	2.1
115.01864	0.4
115.03993	1.2
117.03458	0.6
119.03480	1.8
121.02962	0.5
125.02488	0.8
131.03482	1.9
132.02150	2.8
133.02953	41.1
134.03673	1.7
135.04514	21.2
136.04875	1.2
137.02383	0.3
143.03508	2.6
147.04565	0.4
149.02419	0.5
149.04379	0.4
149.05992	0.4
150.03185	0.8
159.04491	0.7
161.02432	100.0
162.02786	5.6
163.03958	0.4
163.06105	0.6
163.07516	0.3
165.05577	1.1
172.05354	0.8
173.06052	1.1
175.04031	0.4
177.05580	0.5
179.01884	0.7
179.03482	14.0
179.05527	1.0
187.03999	0.5
187.07643	5.2
188.07939	0.5
190.06355	0.6
191.05551	0.5
195.06662	0.8
201.05542	1.0
202.06329	6.7
203.03473	0.9
203.06749	0.5
204.04050	0.5
205.05544	0.3
205.07111	2.1
213.09247	0.4
216.07921	0.5
219.10130	0.5
220.07469	0.5
231.10231	5.8
249.11246	1.4
255.57269	0.4
267.43201	0.3
295.05981	0.5
369.13437	0.6
371.15015	0.9
519.19897	0.4
539.21259	1.2
557.22412	4.1
558.22803	0.8
621.18115	0.6
701.23669	0.5
719.25500	82.0
720.25824	19.7
721.77344	0.4
747.28540	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.0
61.98827	49.1
62.11377	0.8
65.03962	25.7
68.99802	4.3
69.03453	6.3
69.24687	2.6
69.25111	6.0
71.01374	11.9
73.02937	3.6
78.52197	0.9
81.03431	1.1
83.01389	2.4
84.00895	0.9
85.02941	6.8
85.79105	1.0
87.00858	1.2
87.59710	0.7
89.02438	3.2
93.03445	4.2
95.05000	2.6
96.95985	1.3
98.20624	1.4
99.00863	6.0
101.02431	10.3
103.05539	1.1
106.04243	1.2
109.36301	0.8
112.18990	0.8
113.02431	4.1
119.03438	1.1
119.04958	4.1
121.04678	0.8
121.06591	13.9
121.93205	0.8
139.04010	44.5
140.04353	2.1
147.04506	1.4
161.02417	1.9
161.04530	2.2
165.05554	12.6
183.06610	8.7
209.04529	10.1
252.67773	0.8
329.12802	1.1
329.15970	5.0
345.11639	1.5
347.17151	8.3
389.18185	1.8
395.78391	1.0
525.53998	0.9
675.28363	3.3
679.74164	0.9
719.27625	100.0
720.27893	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	782.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19715	0.5
58.00598	1.0
59.01372	10.4
61.98826	88.2
68.99537	0.7
69.26648	2.7
69.27074	1.8
71.01371	9.1
71.83920	0.6
73.02943	12.2
83.01380	4.2
85.02952	0.7
89.02412	0.5
96.96017	1.6
97.28478	0.5
98.20612	1.0
98.98969	0.5
101.02435	11.9
101.44051	0.5
102.44845	0.6
102.71030	0.5
112.98575	1.3
113.02452	1.2
116.92889	0.8
120.19766	0.5
120.47742	0.6
121.98902	0.6
125.02418	0.7
131.03523	0.7
135.04518	1.1
141.00038	0.5
143.03487	1.3
154.38084	0.6
155.03514	0.8
161.02454	1.6
161.04527	1.7
168.46355	0.5
169.83339	0.6
179.03506	0.7
203.05565	2.7
246.17407	0.5
273.01746	0.5
407.32565	0.7
453.33795	2.6
471.34741	100.0
472.35098	16.9
485.36325	8.3
486.36728	0.9
513.35931	6.9
514.36230	1.1
518.66406	0.6
543.37042	1.0
555.36420	1.1
615.39386	0.6
621.00305	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	782.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49874	0.3
59.01377	7.9
61.98827	81.4
71.01380	5.9
73.02939	8.6
83.01373	2.3
94.79088	0.3
101.02436	9.3
113.02415	0.5
125.02467	0.7
131.03505	0.4
143.03471	0.8
155.03485	0.6
160.62888	0.4
161.02432	0.7
161.04565	0.9
179.03564	0.6
203.05536	1.8
205.18521	0.3
209.63304	0.4
271.54245	0.3
471.34744	100.0
472.35086	19.0
485.36243	3.7
486.36667	0.7
509.52081	0.4
513.35901	3.5
514.36255	0.7
675.41040	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.4
61.98827	17.4
66.81902	0.3
68.99797	0.3
70.64270	0.3
71.01358	1.1
71.06540	0.8
73.02940	1.2
83.01368	0.6
85.02977	0.3
101.02428	1.1
113.02403	0.6
125.02453	0.3
143.03534	0.4
153.91336	0.3
179.17657	0.4
268.98975	0.3
341.96277	0.3
471.34741	100.0
472.35065	19.0
485.36166	0.5
513.35870	0.4
623.26752	0.4
656.91614	0.3
787.22400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.8
59.01376	11.5
61.98828	100.0
68.99810	0.3
69.03440	0.4
69.37820	0.5
69.38232	1.3
71.01379	10.2
72.99300	0.5
73.02944	17.9
83.01385	4.5
84.01716	0.2
85.02940	0.4
90.68858	0.2
97.02944	0.4
99.18662	0.3
100.82854	0.3
101.02441	16.1
113.02437	1.4
125.02451	1.1
131.03529	0.9
143.03508	1.1
155.03537	0.9
159.03587	0.3
161.02431	0.5
161.04549	2.1
170.59863	0.3
203.05577	3.2
209.11874	0.4
471.34756	99.8
472.35083	19.5
485.36313	14.0
486.36734	2.4
513.35834	9.2
513.43475	0.5
514.36121	2.2
543.36615	1.1
555.36871	0.8
675.41846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.5
61.98827	100.0
62.84953	0.7
69.38256	5.2
71.01381	7.0
73.02938	8.6
75.78700	0.6
75.96490	0.6
83.01386	2.8
89.02487	0.8
91.55380	0.6
94.89968	0.8
96.96027	1.0
98.20676	1.4
101.02431	10.6
102.02770	0.7
113.02428	1.8
116.92840	0.8
129.43027	0.6
133.02959	1.2
142.19238	0.6
143.03471	1.0
155.03497	0.8
161.02431	2.6
161.04472	1.3
170.73997	0.8
171.01837	0.7
179.03525	1.5
196.17618	0.6
203.03424	0.7
203.05609	1.9
256.87799	0.7
381.51126	0.7
386.66574	0.6
471.34778	88.9
472.28195	1.0
472.35098	17.9
485.36520	2.1
513.35944	4.3
557.34784	1.1
675.40778	1.1
721.35272	0.7
746.64398	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08059	0.1
57.58947	0.1
61.98825	100.0
62.98524	0.1
67.76782	0.1
78.95898	0.5
79.95724	0.2
80.96498	1.2
80.96888	0.1
85.22240	0.1
94.98104	0.2
96.96967	0.1
98.19949	0.3
103.39572	0.1
109.19594	0.1
164.98682	0.2
199.36147	0.1
209.11890	0.3
210.12260	0.1
222.43420	0.1
223.13373	0.1
224.13776	0.1
225.00777	0.2
225.13937	0.1
241.01328	0.3
255.23222	0.3
256.23630	0.2
267.66431	0.1
277.21887	0.2
278.22226	0.3
279.22668	0.2
782.41199	1.6
783.41473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
60.40839	0.3
61.98825	3.5
71.51883	0.3
71.52283	0.7
96.96017	0.4
100.68383	0.3
104.05063	1.1
108.04523	0.5
118.03002	1.3
120.04524	0.3
122.06114	4.5
123.04520	0.4
124.04035	0.7
124.07672	4.0
130.03029	0.4
133.02985	0.5
135.04503	0.7
136.07663	11.5
137.07953	0.3
139.97400	0.3
144.04546	0.4
145.02943	0.6
148.04028	0.5
148.07599	0.4
149.04837	0.4
150.05595	2.6
161.02408	1.1
161.07224	0.4
164.03502	1.7
170.06111	0.3
179.03459	0.5
181.03802	0.9
183.05582	0.3
185.07152	1.7
196.07724	0.8
198.04335	1.0
200.07207	0.4
200.10786	0.7
211.05069	0.3
212.10890	1.6
225.06679	1.6
225.10303	0.6
226.07347	1.6
227.08206	6.9
227.11896	1.1
228.08681	0.8
229.13556	0.5
230.11816	0.4
233.27957	0.3
237.10236	0.8
238.08713	0.4
239.08212	2.2
240.08987	5.6
241.09520	0.6
243.11348	5.2
244.11699	0.5
255.11368	29.2
256.11703	2.6
258.10049	0.4
272.08023	0.9
273.12424	100.0
274.12747	8.2
317.11380	72.9
318.11728	7.3
330.59839	0.4
412.74460	0.5
783.24457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77134	0.2
58.00601	0.2
59.01377	2.9
61.98502	0.2
61.98818	1.5
69.23042	0.2
71.01383	2.3
73.02952	0.4
80.02690	1.1
81.03457	0.9
83.01360	0.4
83.05025	4.1
84.02168	0.5
85.02962	0.6
87.00856	0.2
89.02451	1.8
91.37055	0.2
95.01366	0.3
95.04999	0.4
101.02424	2.1
111.29333	0.3
113.02448	1.1
119.03481	0.7
125.06055	0.4
135.08147	0.4
135.17052	0.2
143.03484	0.3
161.04556	1.0
163.11288	3.7
165.12848	2.2
179.05597	0.7
181.12329	0.6
191.10779	0.8
209.11809	100.0
210.12146	6.0
227.12875	11.1
228.13196	0.5
235.08255	1.2
240.16986	0.2
241.16808	0.2
253.09262	7.0
254.09549	0.4
277.21698	48.6
278.22043	4.7
290.68759	0.3
329.04749	0.3
347.35327	0.3
445.20709	2.1
463.21774	0.4
502.62518	0.2
513.30310	0.3
651.98022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
59.01373	3.9
59.68826	0.5
59.89690	0.5
61.98835	2.3
65.90671	0.4
71.01370	3.2
73.02931	0.9
80.02654	0.8
80.96487	0.5
83.05016	3.6
84.02142	0.7
85.02959	0.9
87.00869	1.1
89.02430	2.2
98.19749	0.8
101.02441	2.9
113.02435	1.3
118.32499	0.4
119.03526	0.6
120.57352	0.4
145.05089	1.0
161.04555	1.8
163.11261	2.1
165.12846	1.5
181.12331	0.5
191.10742	0.6
209.11809	73.0
210.12140	4.3
227.12874	10.1
227.15082	0.7
228.13159	0.7
229.31844	0.8
235.08186	6.6
253.09302	8.7
277.21695	100.0
278.22025	10.1
445.20898	1.1
513.30939	1.3
675.56262	0.6
735.33459	0.5
783.41791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.1
61.98825	100.0
62.98528	0.2
71.28322	0.1
75.45518	0.1
80.96510	0.4
94.98071	0.1
153.98094	0.1
164.98615	0.1
185.11873	0.1
209.11813	0.7
210.12180	0.2
220.37587	0.1
225.00792	0.1
253.09348	0.1
270.13651	0.1
277.21613	0.6
278.21896	0.4
713.04108	0.1
784.42114	0.5
785.39850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98534	0.1
69.22331	0.8
71.01360	0.1
79.95717	0.1
80.96519	0.8
94.98105	0.2
114.82525	0.1
164.98589	0.2
207.10258	0.1
209.11938	0.1
225.00815	0.3
277.21713	0.1
278.21976	0.1
784.42041	0.7
785.40955	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	784.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98547	0.1
70.81752	0.3
79.95713	0.2
80.56543	0.1
80.96531	0.3
94.98096	0.1
116.92866	0.2
169.11943	0.1
210.29210	0.1
222.90083	0.1
225.00798	0.2
372.73627	0.1
592.29199	0.1
612.34784	0.1
784.42242	0.3
785.38580	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	785.25
Annotation	Lamiuside C
Peak:m/z	Relative Intensity
59.01376	6.4
61.98815	0.6
69.03455	0.6
69.22517	0.4
71.00159	1.1
71.01369	4.9
73.02946	1.4
85.02947	2.2
87.00876	1.2
89.02439	3.9
89.03938	0.5
93.03493	0.5
95.01382	0.5
99.00851	0.6
101.02402	2.2
105.03473	1.2
107.05028	0.7
108.02118	1.0
109.02964	1.1
113.02432	4.3
115.03935	0.5
117.03481	0.9
119.03482	0.7
121.02916	0.5
123.04514	4.6
125.02462	1.3
131.03564	0.9
132.02156	2.6
133.02948	40.3
134.03351	2.1
135.04514	36.7
136.04828	2.0
143.03488	1.2
150.03186	1.6
151.03990	6.0
152.04428	0.5
153.05540	1.3
160.01645	0.6
160.06096	0.9
161.02426	100.0
162.02811	5.6
163.04048	0.6
163.06035	0.5
179.03485	29.4
180.03790	1.5
191.05687	0.8
203.03458	0.8
205.07147	1.4
251.16467	0.5
315.10809	0.5
333.15387	0.6
443.15280	0.6
461.16736	4.0
462.16763	0.4
477.13760	0.9
478.14151	0.9
479.15146	1.4
591.19275	1.5
619.18677	0.7
623.19727	21.7
624.20239	3.2
753.22412	7.5
754.22748	1.7
785.24994	28.7
786.25366	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	785.2506
Annotation	Lamiuside C
Peak:m/z	Relative Intensity
59.01374	10.5
61.98825	0.7
62.69555	0.5
65.03958	1.2
66.17053	0.5
67.01888	0.5
68.67892	0.4
68.99805	2.7
69.49713	3.5
71.01376	4.3
73.02947	1.8
74.00404	0.4
75.97168	0.5
76.93163	0.5
77.03975	0.7
77.91808	0.5
83.01419	0.6
85.02937	2.4
86.08553	0.5
87.00858	0.8
87.95146	0.5
89.02431	3.7
93.03460	1.4
95.05034	1.0
97.02956	1.4
98.20633	0.9
99.00891	0.7
101.02438	7.1
103.04019	1.4
105.03450	1.7
107.05041	0.6
109.02943	2.4
113.02472	0.6
117.03487	0.8
119.03497	0.5
119.05013	1.8
122.03728	0.9
123.04515	11.8
125.02444	2.2
127.03992	0.7
132.02153	3.2
133.02950	42.5
134.03540	1.6
135.04517	37.8
136.04773	1.2
139.04002	7.3
141.01888	0.7
147.04504	1.5
149.02432	0.8
150.03209	6.2
151.04002	18.1
152.04375	0.8
161.02429	100.0
162.02803	5.4
163.03984	1.4
163.06091	1.3
165.05528	1.8
173.04582	0.5
177.05565	0.9
179.03484	40.3
180.03824	1.8
188.37909	0.5
191.05611	7.2
203.03473	0.6
205.05008	0.5
209.04430	0.5
223.06110	0.6
240.77678	0.5
241.07208	1.6
250.55624	0.6
337.09302	1.4
403.12408	15.1
404.12668	1.9
493.88937	0.5
605.21075	2.6
623.21368	2.1
633.20306	1.3
675.21204	1.5
676.21771	0.8
753.21820	1.3
767.24005	12.2
768.24329	2.3
785.25018	37.3
786.25592	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	786.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66815	0.1
59.01375	0.1
61.41229	0.1
61.98826	100.0
62.98542	0.3
63.99253	0.5
66.57307	0.1
66.86884	0.1
71.01411	0.1
71.50734	0.2
79.95737	0.1
80.96506	0.7
82.96120	0.1
83.08386	0.1
94.98093	0.1
116.92828	0.1
136.99040	0.1
158.94810	0.1
176.91231	0.1
225.00885	0.2
229.14494	0.1
277.21796	0.4
278.22095	0.3
377.56320	0.1
413.66528	0.1
429.79828	0.1
786.39978	0.7
787.38879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48338	0.1
61.98826	100.0
62.05888	0.1
62.98532	0.2
68.64114	0.0
79.95734	0.1
80.96505	0.5
84.92867	0.0
85.06513	0.0
94.98113	0.1
109.31422	0.0
164.98615	0.1
194.68991	0.1
209.11876	0.2
210.12186	0.1
225.00740	0.1
277.21890	0.1
278.22183	0.1
279.22711	0.1
315.93124	0.1
390.07645	0.0
548.11438	0.1
560.89398	0.1
583.80121	0.1
787.39301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96202	0.1
59.56380	0.1
61.98826	100.0
62.98512	0.1
70.99113	0.1
71.28477	0.1
80.96517	0.3
94.98100	0.1
184.89691	0.1
210.12166	0.1
277.21774	0.1
278.22186	0.1
279.22394	0.1
375.74893	0.1
433.58569	0.1
552.66785	0.1
586.12256	0.1
787.38971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90319	0.2
61.98828	100.0
71.51672	0.2
80.96518	0.4
82.14448	0.2
98.42303	0.2
145.81702	0.2
184.39951	0.2
268.23294	0.3
268.85559	0.2
351.50861	0.2
445.11105	0.2
777.81122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.6
59.01377	46.0
60.01699	0.8
63.87164	0.4
65.03942	0.5
66.72314	0.4
69.83988	0.3
70.03032	1.5
71.01381	10.3
71.05902	0.4
72.99294	1.2
73.02932	1.2
80.04629	0.4
83.01376	0.7
85.02953	2.6
85.76536	0.4
89.01874	0.6
89.02432	11.3
95.01386	0.7
96.95988	0.8
101.02435	8.4
113.02442	4.8
119.03490	3.4
123.48622	0.4
126.49963	0.4
131.03433	0.5
135.04512	0.7
138.16090	0.4
139.15283	0.5
140.07196	0.7
151.03984	0.4
159.02982	1.5
161.02457	1.0
163.11302	3.6
165.05579	0.5
183.06609	0.6
191.05574	0.6
206.08240	0.6
207.10231	7.8
225.11238	0.8
269.10214	0.5
305.06921	0.6
345.11768	0.7
357.12903	0.5
387.16577	100.0
388.16882	11.0
417.36899	0.4
465.48010	0.4
567.20490	0.6
777.48267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.7
57.03432	0.8
59.01376	40.8
61.98827	46.4
68.99574	1.3
71.01378	20.0
71.52477	1.3
72.99301	1.6
73.02940	14.9
77.00838	0.7
78.86637	0.6
82.20667	0.6
83.01376	4.8
84.95119	1.8
85.02947	4.6
85.08958	0.8
87.00856	2.4
88.98782	2.1
89.02456	4.6
95.01390	1.0
96.96008	1.8
97.02975	0.9
99.00873	0.9
99.92578	0.9
101.02443	15.1
112.98495	0.8
113.02444	6.1
116.92840	8.3
117.01939	1.0
119.03500	1.7
125.02376	1.4
131.03499	1.0
133.02888	1.1
135.04474	1.0
143.03467	1.5
161.02412	3.6
161.04503	1.3
179.03511	0.9
179.18054	0.8
191.05740	0.8
209.11855	0.8
223.13367	1.1
275.20111	4.5
277.21741	1.4
293.21210	20.6
294.21521	2.4
311.09024	0.9
317.21100	1.3
371.14542	0.9
425.24561	0.7
437.25513	2.5
455.26450	7.3
479.26480	5.9
497.27533	100.0
498.27896	14.9
539.28571	1.6
745.39026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.6
61.98823	2.5
67.60213	0.2
69.61510	1.2
70.43639	0.2
71.01377	2.8
72.99297	0.2
73.02951	1.0
75.00887	0.4
79.95734	4.5
83.01377	0.4
85.02924	1.2
87.00865	0.4
88.98782	0.4
89.02458	1.7
93.03446	0.3
95.01376	0.3
95.95238	0.4
96.96004	100.0
97.95963	0.3
98.20573	0.2
99.00896	0.3
101.02443	1.5
108.02113	0.2
113.02425	1.0
114.56667	0.2
117.03515	0.3
119.03500	0.7
119.05019	3.8
120.05359	0.3
125.68942	0.2
133.02927	0.8
135.04498	0.9
139.04028	0.3
145.02946	0.6
152.47180	0.2
161.02428	2.1
161.04547	0.3
162.02811	0.3
163.03993	2.3
179.03467	0.6
182.79123	0.2
257.43289	0.2
315.10852	0.3
371.11508	0.3
373.56760	0.2
459.12933	0.2
491.28091	0.3
523.25757	0.3
578.76294	0.2
605.35541	0.6
623.36652	0.4
628.06763	0.2
703.32098	7.5
704.32532	1.7
719.25317	0.6
721.26611	0.3
745.33185	11.5
746.33313	2.4
771.31342	0.9
772.31006	0.3
789.32092	16.7
790.32428	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	789.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	6.1
63.96226	1.8
71.01368	8.2
73.02942	1.5
74.35233	0.8
78.95896	1.2
78.98595	8.3
79.95726	17.5
80.96511	97.0
85.02922	3.5
87.00866	4.2
94.98085	19.2
96.95985	1.8
97.02930	2.5
101.02428	2.3
102.80242	1.3
106.98072	3.8
109.06524	1.2
110.42773	1.2
122.97580	5.2
125.02427	3.8
134.97563	4.6
136.99142	1.8
143.37941	1.4
148.99138	8.2
152.98599	7.2
152.99669	1.9
162.28374	1.1
163.11232	1.2
164.98622	15.9
194.86476	1.0
206.99620	4.3
216.64427	1.3
225.00726	21.5
232.24126	1.0
281.24902	1.0
337.38907	1.1
507.14819	1.4
536.73834	1.1
559.55719	1.3
563.29114	1.5
582.81281	1.3
789.40930	100.0
790.41187	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	790.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.4
58.00588	2.5
59.01378	50.6
61.98827	100.0
69.34476	5.4
71.01378	30.0
72.99300	3.0
73.02935	1.7
73.42876	0.9
79.05524	1.1
83.01385	2.7
85.02953	8.3
87.00885	1.9
89.02437	27.4
93.07098	1.3
95.01392	2.4
98.19930	1.9
99.04488	1.8
101.02439	15.4
107.05015	2.6
108.02172	31.4
113.02452	13.0
119.03496	10.6
121.82956	0.8
123.04515	2.1
134.03719	1.1
135.04524	12.9
139.03917	1.0
143.03447	1.7
145.27539	1.0
147.11824	1.6
150.03261	1.2
153.05544	3.3
161.02409	0.9
161.04517	1.8
161.13367	7.3
165.05490	1.3
179.05632	2.8
181.05023	1.4
185.09743	1.5
185.13351	2.3
187.11279	25.4
188.11568	2.1
203.14415	2.1
205.12396	7.0
219.13800	1.2
229.12300	5.3
231.10104	1.3
247.13335	3.7
249.11267	2.0
315.10873	15.4
316.11234	1.7
411.16541	2.2
503.22827	2.1
547.21820	56.8
548.22040	9.7
629.22394	4.5
646.49231	0.9
727.28149	92.9
728.16565	1.7
728.28516	21.5
730.10522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.24
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.3
59.01377	8.5
63.86539	0.2
69.70415	0.9
71.01376	5.3
72.99294	0.4
73.02940	2.9
77.03971	0.3
83.01378	0.8
85.02936	1.1
87.00874	0.5
89.02439	4.7
91.05547	0.3
93.03451	1.6
95.01366	0.5
95.05019	2.4
101.02431	5.4
105.03452	0.9
107.05089	0.4
108.02168	2.3
109.02988	0.2
113.02439	3.0
117.03443	0.6
119.03566	3.4
119.05019	100.0
120.05354	3.7
121.02950	6.3
123.04539	1.2
131.03477	0.6
133.02921	0.4
134.03734	0.4
135.04518	3.9
143.03506	0.7
145.02946	1.5
147.04440	0.2
149.02428	43.3
150.02763	1.8
151.04008	0.4
153.05553	0.6
159.02989	0.7
161.04509	1.1
163.03998	91.7
164.04320	4.5
165.05588	0.2
167.03528	0.4
175.02621	0.3
175.03938	1.0
179.05618	1.1
191.05640	0.2
193.05063	0.8
205.05054	0.5
223.06038	0.3
224.86179	0.2
288.74405	0.2
297.09818	0.8
313.17496	0.2
315.10822	2.0
325.09241	12.4
326.09662	1.0
357.11847	0.8
542.73657	0.2
547.29980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93378	0.3
56.08323	0.3
58.01527	0.3
59.01111	0.6
59.01381	7.0
61.99624	0.3
62.99182	0.3
65.03959	5.8
67.01892	1.5
68.99809	14.4
69.03463	0.4
70.09322	0.9
71.01382	6.1
73.02936	0.9
74.81147	0.3
77.96561	0.3
81.03458	0.6
83.01375	0.7
85.02936	1.7
87.00859	0.4
89.02441	2.8
91.05504	1.0
93.03444	3.1
95.01365	0.4
95.05035	1.6
99.00890	1.0
101.02433	28.5
102.02759	0.5
102.84859	0.3
103.05521	1.1
104.71964	0.4
105.03444	0.4
107.05019	0.6
108.02129	0.5
109.02950	0.4
109.06570	0.7
111.00856	0.4
113.02424	1.7
119.03500	0.9
119.05015	11.5
121.02949	0.8
121.06593	1.2
123.04509	0.7
125.02409	0.3
127.04005	2.8
133.02919	0.6
135.04555	0.9
137.02330	0.3
137.06073	1.6
139.03999	41.7
140.04311	1.6
146.71141	0.3
147.04507	13.4
148.04849	1.0
149.06078	0.4
150.03375	0.3
151.07602	0.5
155.07088	0.8
161.02435	0.7
161.06049	0.6
163.04001	1.3
164.04750	0.5
165.05554	10.7
165.06912	0.7
166.05875	0.3
179.03647	0.4
179.05534	0.5
179.07115	7.1
180.07394	0.5
181.05165	0.5
191.03542	1.5
191.05603	4.9
192.05948	0.3
197.08115	0.3
209.04550	1.9
213.15266	0.3
223.06099	7.2
223.08102	0.6
224.01260	0.3
241.07158	6.9
242.07510	0.4
283.08209	0.5
300.02823	0.5
327.10760	1.3
337.09134	0.8
342.61880	0.3
349.18408	0.4
371.09818	2.4
387.16296	0.7
403.12402	100.0
404.12723	10.7
405.13040	1.0
453.23297	1.6
531.43958	0.3
533.12439	0.3
791.25189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65382	0.9
56.79725	1.0
61.98829	7.5
63.12274	1.2
63.96223	1.2
69.03441	1.4
71.01378	8.6
71.52039	1.4
73.02927	1.5
73.57236	1.0
78.95888	2.2
78.98585	6.6
79.95738	14.8
80.96513	85.6
85.02938	2.9
87.00845	2.4
94.98077	18.9
96.96018	1.4
99.00871	1.6
101.02409	2.0
106.50384	0.9
106.98073	3.7
122.97546	4.1
125.02417	4.0
134.97577	6.5
136.99110	1.4
148.99144	6.5
152.98570	6.9
152.99646	1.4
164.98616	13.5
206.99638	4.6
209.11749	1.6
224.98653	1.9
225.00723	22.3
255.23042	1.1
327.21643	1.8
367.94290	1.0
509.16949	2.1
555.25989	1.9
563.28717	1.2
756.58618	1.0
791.42456	100.0
792.42902	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	791.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22347	9.0
61.98815	37.3
68.09539	9.1
70.69726	21.8
131.33591	8.2
209.11827	100.0
227.12959	22.1
253.09239	13.4
277.21600	86.8
278.22000	12.1
291.05249	8.5
791.43793	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00565	0.4
61.98828	3.1
70.02042	1.5
71.05017	1.0
76.27776	0.4
85.59081	0.4
91.05897	0.4
116.92843	0.8
156.44307	0.4
197.11798	0.5
209.11827	3.4
210.12065	0.9
227.12813	0.6
233.77740	0.4
235.08238	0.5
240.83125	0.4
253.09230	0.6
288.41006	0.4
300.57031	0.4
309.20703	1.4
310.21002	0.5
421.31381	0.6
423.32922	0.7
427.32333	0.7
443.35376	0.8
467.31726	1.3
469.33160	13.0
470.33411	1.8
487.34253	100.0
488.34564	15.8
488.41745	0.7
792.39850	1.2
793.39850	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.4
61.98826	4.1
71.01331	2.2
80.67168	1.6
101.02454	1.9
107.01383	2.4
107.40597	1.4
108.47413	1.7
113.52219	1.4
116.40414	1.7
121.02948	1.9
133.02936	4.3
135.04486	2.2
151.00330	7.8
161.02399	7.2
178.99937	4.0
179.03577	1.7
186.56041	1.6
191.05547	1.7
234.56337	1.8
243.02950	6.2
252.57793	1.5
254.02469	2.0
255.02940	16.3
271.02414	35.3
272.03110	3.5
300.02722	71.4
301.03412	32.4
302.03958	1.9
322.81653	1.5
379.75900	1.6
609.14594	100.0
610.14636	14.6
704.96777	1.8
755.65424	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	793.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62999	0.1
56.74271	0.1
59.01372	0.2
59.13203	0.1
61.98830	0.4
70.00111	0.1
71.01395	0.1
71.14872	0.1
71.15188	0.1
72.66583	0.1
73.02939	2.8
75.00856	0.4
99.00877	0.4
99.92576	11.7
100.92580	0.6
100.93246	0.1
114.93424	0.4
116.92851	100.0
116.97181	0.6
117.01923	5.0
117.92859	4.9
121.01920	0.1
123.37058	0.1
277.21710	0.1
293.21277	0.1
397.13580	0.1
580.75024	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04083	0.1
59.01372	0.2
59.38363	0.1
61.98820	0.6
63.12830	0.1
71.06998	0.2
73.02942	2.1
89.02448	0.1
89.37317	0.1
96.95992	0.2
99.00872	0.5
99.92579	10.9
100.92622	0.8
100.93264	0.2
114.93399	0.5
116.92855	100.0
116.97215	1.4
117.01931	3.7
117.92862	5.2
124.47462	0.1
125.96059	0.1
161.02458	0.2
406.48901	0.1
490.53012	0.2
505.62344	0.2
532.21954	0.1
556.03772	0.1
793.36707	0.2
793.87201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.73893	0.5
70.74212	0.6
73.11005	0.3
80.96526	0.5
94.29821	0.3
143.51198	0.3
242.32816	0.4
326.27307	0.4
495.85468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.3
59.01373	29.0
61.98824	100.0
69.50043	3.6
69.50473	2.8
71.01014	1.6
71.01376	22.2
72.99287	1.5
73.02925	2.8
81.88938	0.8
83.01347	2.1
85.02945	5.2
87.00802	0.8
89.02437	13.0
90.64276	0.8
95.01376	1.6
95.05039	1.3
99.00833	1.3
99.04494	1.8
101.02435	11.4
107.05022	1.3
111.04549	1.1
113.02440	7.1
119.03487	3.3
157.06587	1.2
157.08670	5.0
161.02422	1.0
161.04532	4.8
161.09679	1.2
161.13351	9.0
169.10182	1.3
179.03348	1.2
187.11270	24.2
188.11487	1.3
205.12291	9.4
229.12126	1.1
231.10173	3.3
249.11288	2.9
319.14020	5.4
389.82401	1.0
411.16400	2.1
507.25659	1.3
551.24915	44.2
552.25177	7.0
590.67114	1.1
731.31219	81.1
732.31628	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	795.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01371	12.0
65.03957	22.5
66.04285	0.6
67.01905	0.6
68.99799	1.7
69.03450	5.4
71.01369	11.1
71.50774	0.7
73.02948	2.6
81.03465	0.5
83.01389	3.1
85.02943	5.7
86.38636	0.5
87.00851	1.2
89.02424	5.8
91.05539	0.5
93.03448	3.2
95.01364	4.2
95.05009	3.3
99.00867	1.6
101.02428	7.3
103.05517	1.1
106.04259	2.3
111.00871	20.4
112.01240	0.6
113.02434	5.6
119.03478	1.6
119.05011	2.7
120.15659	0.5
121.06579	16.5
122.06851	0.6
123.00877	0.5
123.04539	0.6
137.06062	0.7
139.03999	35.1
139.07614	1.2
140.04349	1.3
141.01924	48.9
142.02258	1.5
153.01895	0.5
153.05556	0.5
159.02902	0.6
161.04501	1.5
163.07649	0.5
165.05544	20.9
166.05876	0.7
175.54852	0.5
177.01878	1.0
179.05600	0.8
183.06596	20.6
184.06856	0.9
185.14006	0.5
209.04489	6.7
227.05545	1.9
238.03638	0.6
245.04849	0.5
315.06888	0.7
333.11835	0.7
345.11850	24.5
346.12244	1.9
389.10840	100.0
390.11246	9.6
405.14288	0.8
442.47501	0.5
699.06873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.6
61.98825	2.8
69.03447	1.4
71.01379	6.1
71.05006	1.1
73.02965	0.7
75.50528	0.6
76.60558	0.5
83.05025	0.9
85.02972	0.8
87.97505	0.7
89.02463	2.5
90.71503	0.6
91.32662	0.5
101.02448	4.2
111.08134	0.8
113.02446	1.8
119.03487	0.6
149.09752	0.7
161.04538	1.5
167.10765	2.9
171.10249	2.0
177.12834	1.0
179.10828	1.4
179.14345	2.6
195.13878	16.7
199.09760	1.4
201.11337	1.4
205.12335	7.8
206.12744	0.7
207.10269	1.7
211.13460	0.9
223.13377	100.0
224.13724	7.2
225.11311	1.0
225.14862	1.1
235.08263	4.6
253.09270	16.3
254.09688	1.0
275.20200	4.5
276.20401	0.7
277.21585	2.8
293.21204	79.1
294.21567	8.3
297.43842	0.7
321.12088	0.6
441.21405	0.8
459.22339	15.5
460.22751	1.9
499.34076	1.4
529.30054	2.0
537.98187	0.7
555.54688	0.6
642.70410	0.6
735.43323	5.1
736.43866	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	795.453
Annotation	Arborenin
Peak:m/z	Relative Intensity
55.54821	0.5
57.03432	1.4
57.44132	0.5
58.00558	0.5
59.01377	18.1
59.52321	0.6
61.98809	2.3
64.87738	0.5
66.49683	0.6
69.03426	1.1
69.23577	1.1
69.23990	3.9
71.01379	26.4
72.01714	0.5
72.99285	1.6
73.02944	9.1
83.01376	4.0
85.02944	12.5
87.00855	2.2
88.98775	0.8
89.02439	9.7
95.01376	2.5
97.02925	2.1
99.00864	2.9
101.01806	1.1
101.02438	18.3
107.81992	0.5
111.00858	1.7
113.02456	8.8
119.03531	2.8
122.03807	0.5
125.02429	2.6
131.03447	1.1
133.02898	0.5
141.01982	0.8
143.03450	1.5
151.45229	0.5
159.02936	1.1
161.02382	0.9
161.04536	3.2
216.35538	0.6
245.06775	0.7
342.31683	0.6
471.34753	31.3
472.34995	4.2
482.18359	0.6
499.15903	0.5
568.14880	0.7
596.30145	0.6
615.38849	1.7
633.39886	8.4
634.40179	1.8
795.45270	100.0
796.45520	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	797.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
58.00596	0.3
59.01371	2.9
60.99297	1.0
65.03947	0.5
67.01885	2.9
69.03448	0.8
69.16136	2.0
71.01377	2.0
73.02937	0.5
73.61839	0.2
76.62583	0.2
81.03454	0.7
83.05022	0.7
85.02939	4.6
86.03320	0.2
87.00864	4.9
89.02437	0.6
93.03452	20.9
94.03768	0.6
98.19853	0.4
99.00873	0.4
99.04502	0.6
101.02447	0.7
109.02925	0.6
111.00871	0.3
111.04517	3.3
113.02450	0.8
117.03464	1.6
119.05023	6.9
127.04014	1.6
129.01930	0.9
131.03529	0.2
131.33862	0.2
133.02940	1.4
135.04503	0.8
137.02402	0.5
139.04010	0.5
143.03429	0.4
145.02946	10.0
146.03307	0.5
155.03452	0.6
159.02988	0.3
161.02425	4.4
161.04485	0.3
161.06068	0.3
163.03993	9.2
164.04288	0.5
169.68326	0.2
171.03061	0.4
173.04538	6.8
174.04834	0.5
177.05537	0.4
177.17862	0.2
179.03505	0.6
183.06601	0.5
191.05592	100.0
192.05933	3.8
205.04955	0.5
233.11800	0.2
247.19812	0.2
265.07172	0.5
337.09250	33.6
338.09579	3.2
341.12161	0.4
353.08627	0.5
365.18042	0.2
387.16492	0.2
388.85501	0.2
451.15967	0.5
459.15039	21.4
460.15405	2.5
475.13290	0.2
530.32697	0.2
616.00110	0.2
637.63641	0.2
797.26587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.8
59.01376	4.7
61.98824	3.8
65.09911	0.6
69.03452	0.8
71.01377	7.9
71.04998	0.9
79.05536	1.0
80.08101	0.5
81.03420	1.2
83.01375	1.2
83.05031	3.0
85.02942	2.8
87.00880	1.1
88.47113	0.6
89.02453	1.8
93.03433	1.8
93.07056	0.7
95.01364	0.8
95.05054	3.2
97.02946	12.4
97.06573	1.8
98.19881	1.8
99.04485	0.7
101.02442	1.8
105.07064	2.4
107.05035	3.0
108.02168	1.0
108.05821	8.8
109.02932	5.4
109.06634	3.8
111.00875	0.9
111.04510	10.9
111.08147	3.0
113.02464	1.5
113.06081	12.7
119.05016	1.7
119.08659	2.9
121.02961	1.0
121.06596	3.4
122.03736	13.5
123.04511	2.0
123.08156	10.4
124.01664	1.1
124.05305	1.1
125.02455	0.7
125.06081	13.3
125.09676	0.8
133.02937	2.2
135.04483	3.0
135.08147	2.1
136.05301	10.8
137.02429	1.8
137.06084	7.8
138.06863	18.5
139.04007	1.9
139.07646	40.8
140.08012	1.5
145.06677	0.7
147.08136	0.8
148.05298	7.6
149.06064	4.8
150.03177	0.8
151.03996	2.7
151.07637	83.8
152.04787	11.1
152.08427	37.3
153.09210	16.2
154.09496	0.7
159.11818	3.8
161.02419	7.3
161.09708	6.0
163.04082	1.2
163.07646	10.1
164.08154	1.3
165.05502	1.2
166.06303	0.9
167.07146	5.6
170.05783	1.4
171.08162	0.8
175.07655	1.5
175.11247	0.9
179.03462	2.9
183.11722	0.8
185.09752	1.2
186.10472	1.5
187.11298	0.9
188.08366	1.3
189.09207	4.8
189.12791	0.7
191.05591	1.5
194.05853	1.0
201.12837	23.9
202.13155	2.0
203.10764	11.9
204.11537	40.8
205.11871	3.4
219.13882	73.8
220.14212	5.2
245.11818	0.8
263.12851	100.0
264.13174	8.6
444.69641	0.9
529.66620	0.9
596.05786	0.7
617.29407	0.8
621.18768	0.8
638.18854	2.1
735.25378	2.9
797.32776	0.7
817.05286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90617	0.4
57.45377	0.4
59.01389	0.7
61.98823	0.6
63.96237	2.3
69.03455	0.9
69.22396	1.4
69.22823	2.2
71.01378	8.9
72.99314	0.5
73.02934	1.9
78.98588	6.9
79.95729	14.1
80.96511	80.2
81.03445	0.8
85.02936	3.0
87.00886	2.6
94.98081	18.7
95.01379	0.5
96.96025	1.4
97.02951	1.6
99.00873	0.5
99.04478	0.5
101.02415	2.5
106.98071	4.0
122.29500	0.5
122.97585	3.4
125.02412	3.3
127.04014	0.9
134.97569	5.5
136.99141	1.2
146.97511	0.5
148.99132	6.7
151.51259	0.4
152.98619	6.4
152.99763	0.7
164.98608	13.7
167.00150	0.6
203.89122	0.4
206.99684	3.1
209.11855	1.7
225.00717	22.7
226.01187	0.5
255.23212	1.2
283.04834	0.4
537.27441	1.5
541.19580	2.4
765.41766	1.1
797.43530	100.0
798.43842	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.4
61.58519	0.3
61.98827	96.8
69.13921	1.1
69.14342	2.2
71.01381	4.8
72.99294	0.4
73.02943	6.4
83.01375	2.1
85.02962	0.7
89.02458	0.4
96.95394	0.3
96.96017	0.3
97.02944	0.5
99.00874	0.4
99.61246	0.3
101.02438	11.1
102.02773	0.4
113.02425	1.4
116.92813	0.4
119.03492	0.7
121.80785	0.3
125.02418	0.8
131.03490	1.3
133.02959	0.4
135.04533	0.5
143.03485	1.2
155.03537	0.4
161.02432	0.8
161.04530	1.3
182.54314	0.3
203.05594	3.1
209.11826	0.9
350.81107	0.4
355.69403	0.3
487.34238	100.0
488.34601	18.1
488.41791	0.7
497.32770	2.1
501.36047	1.6
509.32883	0.8
529.35242	10.8
530.35614	2.5
559.36078	0.5
573.33917	0.4
589.37225	0.6
664.58435	0.3
691.40338	1.2
765.84503	0.4
794.30621	0.3
799.32751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
57.93650	0.2
59.01378	3.5
61.44709	0.2
61.98829	17.4
68.99839	0.3
70.33096	0.2
70.89323	0.5
71.01374	1.1
73.02947	1.0
85.02940	0.6
97.03008	0.3
101.02449	0.8
113.02443	0.7
119.03510	0.2
125.02480	0.2
133.02948	0.5
143.03488	0.7
154.12503	0.2
155.45154	0.2
161.02400	0.6
203.05431	0.2
234.48715	0.2
259.07788	0.2
316.40042	0.2
390.54532	0.2
487.34259	100.0
488.34601	17.0
501.35794	0.5
512.86737	0.2
529.35297	1.2
530.35986	0.2
601.37830	0.2
713.93518	0.2
799.32489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.1
61.98825	100.0
62.98534	0.2
62.99232	0.1
64.37249	0.1
71.01391	0.1
71.15007	0.1
71.15327	0.1
171.10243	0.2
201.11295	0.1
207.10248	0.1
211.13332	0.1
223.13420	0.1
224.13875	0.1
225.11256	0.1
253.09297	0.1
277.21698	0.6
293.21228	0.1
294.21570	0.1
295.21878	0.1
389.31952	0.1
798.01996	0.1
803.47443	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	799.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57669	0.5
59.01369	7.9
62.17896	0.6
65.23154	0.6
66.99588	0.5
69.36261	0.4
69.36565	4.3
71.01385	2.9
73.02951	1.9
85.02953	2.2
89.02435	1.9
97.02947	1.0
99.00862	0.7
101.02443	2.0
103.04039	1.9
105.03449	1.1
107.05010	0.8
109.02920	0.7
117.03482	1.2
119.03490	0.6
122.03732	1.2
123.04528	14.2
125.02444	2.4
132.02164	2.3
133.02953	44.2
134.03831	2.9
135.04517	70.6
136.04849	2.7
149.02454	0.6
150.03217	7.2
151.04002	18.5
152.04332	0.9
161.02429	100.0
162.02762	4.9
163.03973	1.2
163.06096	0.8
167.32883	0.5
177.05612	0.8
179.03484	77.7
180.03795	4.7
203.03502	1.1
245.04459	0.8
302.04150	0.6
322.33459	0.6
400.19424	0.6
500.30191	0.6
512.16010	0.5
605.20984	2.7
606.21448	0.9
633.20197	4.4
634.20184	0.9
734.71228	0.6
767.23981	33.2
768.24255	7.3
799.26587	23.1
800.26849	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	799.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26287	0.5
59.01377	10.0
61.50149	0.6
61.98826	1.8
67.75585	0.5
69.03459	0.5
71.01385	6.0
72.99304	0.7
73.02944	2.4
77.69341	0.5
82.33985	0.5
83.74542	0.5
85.02943	3.3
89.02447	3.4
89.41812	0.5
97.02938	0.9
101.02451	3.1
102.75872	0.5
103.04010	2.3
105.03457	1.3
107.05070	0.8
113.02431	1.0
117.03472	1.1
119.03521	0.9
123.04496	1.8
125.02458	3.1
132.02211	2.5
133.02954	45.6
134.03360	1.7
134.03665	1.6
135.04523	15.5
136.04816	0.9
138.03171	0.6
139.04160	0.6
150.03214	9.8
151.04044	2.4
161.02432	100.0
162.02783	5.6
163.06139	1.0
168.04262	0.9
175.04001	1.2
177.05461	0.6
179.03487	12.8
179.04974	0.9
180.03824	1.2
191.05580	1.8
203.03442	0.7
205.07130	0.6
253.45628	0.5
300.99966	0.6
305.75378	0.7
333.15390	1.0
622.20868	0.7
637.23114	2.2
736.25043	1.3
737.26025	0.7
767.23877	2.3
799.26611	39.0
800.26923	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	799.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11255	0.8
59.01363	3.2
59.80117	0.8
61.98827	11.4
69.78443	4.7
71.01372	2.2
83.05009	3.6
89.02441	1.8
89.06221	0.9
98.19991	1.5
101.02435	1.4
107.11441	0.8
111.50450	0.9
117.41022	0.8
161.04559	1.2
163.03436	1.1
163.11249	3.0
165.12814	2.0
171.10294	1.2
181.12262	1.3
195.13885	1.4
209.11801	100.0
210.12160	6.6
211.13377	1.0
223.13344	1.2
227.12872	9.8
235.08153	3.7
253.09248	8.6
275.20102	4.3
291.19638	1.1
293.21188	38.4
294.21420	2.9
414.59122	0.9
445.20844	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	800.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.05899	0.1
62.98524	0.1
71.08643	0.2
74.27871	0.1
98.43692	0.1
106.22305	0.1
161.02422	0.1
209.11984	0.1
217.02971	0.1
228.63240	0.1
293.21292	0.1
341.02908	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	801.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	1.9
58.00563	2.0
59.01377	63.8
61.98820	5.7
63.43852	1.6
65.03961	73.5
68.99815	2.8
69.02414	2.0
69.02734	4.0
69.03453	15.8
69.47897	11.3
71.01014	3.0
71.01382	44.9
72.99324	2.0
73.02940	6.6
83.01382	5.0
85.02947	12.9
86.74986	1.5
87.00826	2.5
89.02447	24.4
93.03475	10.5
95.01385	2.3
95.05018	6.7
99.00855	3.4
101.02444	28.0
103.05553	2.1
106.04196	3.6
107.05006	2.1
111.00890	2.3
113.02460	16.9
119.03519	9.5
119.04980	5.3
121.06593	42.9
135.04529	5.6
139.04005	97.8
139.07631	2.4
140.04285	3.8
143.03555	1.7
159.02928	1.6
161.02354	3.7
161.04514	3.8
161.13330	7.1
161.14490	1.6
165.05554	56.9
166.05858	3.3
179.05484	2.0
183.06619	52.2
184.07034	2.0
187.11311	11.9
203.10788	2.0
205.12384	12.5
207.06558	1.9
209.04512	14.1
220.46896	1.9
224.03804	1.8
227.05473	2.0
249.11259	8.8
345.11856	31.3
346.12003	2.4
389.10880	60.1
390.11035	3.9
411.16718	4.5
533.23682	5.3
577.22821	32.0
578.23273	6.7
621.21826	75.1
622.22375	14.5
757.29242	2.5
801.28180	100.0
802.28510	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.9
58.00579	3.1
59.01377	60.7
61.98815	1.4
65.03960	65.7
68.99809	4.1
69.02715	2.7
69.03452	11.7
69.28772	12.0
71.01376	42.6
72.99299	3.2
73.02924	6.5
83.01375	5.9
85.02942	12.6
87.00843	2.9
89.02434	21.0
91.05505	1.4
93.03447	11.2
95.01397	3.0
95.05027	8.9
99.00854	4.4
101.02438	24.2
103.05550	2.6
106.04251	2.2
107.05058	2.3
113.02438	14.3
119.03487	5.4
119.05012	8.7
121.02960	1.8
121.06592	37.8
133.02945	3.5
135.04492	3.3
137.06123	2.0
139.04002	84.2
140.04352	3.4
143.03502	1.7
147.04468	2.4
153.09128	2.2
157.08693	2.0
161.02534	6.6
161.04518	5.0
161.13309	5.5
163.07591	1.8
165.05556	44.6
179.03583	2.0
179.05579	2.4
183.06609	39.1
184.06990	1.6
187.11261	14.9
205.12280	9.7
209.04536	8.5
210.04749	1.6
225.07591	2.0
227.05659	2.3
229.12341	3.7
249.11293	4.1
319.14066	3.2
341.10870	2.3
345.11887	28.2
346.12253	3.1
346.58499	1.4
351.14236	1.7
389.10867	51.5
390.11130	5.2
411.16599	3.0
481.20728	2.2
533.23657	8.2
577.22858	30.5
578.23334	6.2
621.21796	45.6
622.22125	9.5
623.19586	2.2
639.22827	1.7
757.28827	2.6
801.28174	100.0
802.28455	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	801.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12170	1.2
59.01375	100.0
61.68008	1.0
61.98823	21.5
68.99559	1.9
71.01379	41.0
71.53489	1.7
72.97519	1.4
72.99289	2.3
73.02937	10.1
83.01377	10.7
85.02949	14.0
87.00879	3.9
88.98831	1.9
89.02444	16.2
95.01376	3.9
96.96004	9.1
97.02959	1.5
98.81130	1.2
99.00865	2.2
99.64654	1.3
101.02436	21.1
111.00864	1.4
111.08147	1.3
113.02448	23.7
115.03901	1.2
119.03531	7.7
121.02971	2.5
124.01675	3.8
125.02427	2.6
126.02801	1.3
131.03497	1.7
133.02948	6.7
135.04544	5.6
136.05296	3.2
137.02461	1.7
143.03476	4.8
149.04572	2.0
161.02441	18.7
161.04510	9.7
168.04208	1.8
178.02687	1.6
179.03456	8.2
203.03558	2.8
203.05423	1.3
207.10272	4.8
224.74074	1.2
293.21219	1.5
321.15411	11.7
371.14935	11.1
436.18820	1.1
437.25522	2.4
473.12903	3.7
497.27322	2.2
524.45398	1.7
575.32037	2.1
593.33234	17.2
594.33655	3.5
611.34265	39.8
612.34729	6.4
629.35370	11.8
630.36053	3.2
653.35248	14.9
654.35529	2.6
671.36444	25.5
672.36871	5.5
704.23712	2.3
713.37787	2.8
714.39172	1.4
783.38116	2.4
784.38776	1.4
801.40271	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	801.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00619	0.5
59.01369	3.5
61.98827	100.0
63.99239	3.0
69.97666	1.1
69.98070	1.6
71.01369	2.6
73.02953	0.6
75.08059	0.4
80.02711	0.5
83.01378	0.6
83.05025	2.2
83.59879	0.5
88.02637	0.5
89.02458	2.1
97.02959	0.5
101.02427	2.5
102.06138	0.7
103.38031	0.6
113.02439	1.7
119.03491	0.5
125.09696	1.1
127.11262	1.8
127.47221	0.5
155.10687	0.7
161.04538	1.5
163.11302	1.6
165.12857	1.6
171.10263	1.3
201.11322	28.1
202.11659	1.4
209.11813	57.6
210.12151	4.2
227.12872	7.5
235.08292	4.7
253.09280	8.0
254.09685	0.6
277.21701	68.1
278.22040	6.7
391.94278	0.6
437.20193	1.9
443.31509	0.7
445.20978	2.7
461.32571	1.2
513.30780	2.4
514.31030	0.6
739.42944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98532	0.2
62.99250	0.1
63.15727	0.1
71.01413	0.1
78.95961	0.1
80.96500	0.2
88.98837	0.1
94.98113	0.1
98.19894	0.2
111.63535	0.1
116.92680	0.1
128.49797	0.1
209.11853	0.2
279.23291	0.1
299.73840	0.1
431.64041	0.1
454.33533	0.1
480.05225	0.1
498.87122	0.1
593.83905	0.1
707.60492	0.1
749.33612	0.1
776.71411	0.1
802.39087	0.1
803.39264	0.3
829.12817	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	802.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98540	0.2
64.35104	0.1
70.67771	0.1
80.96516	0.2
81.90421	0.1
94.98120	0.1
107.50091	0.1
112.27654	0.1
120.31996	0.1
124.56264	0.1
125.59522	0.1
128.82097	0.1
139.21783	0.1
209.11852	0.1
277.21799	0.1
413.43005	0.1
442.39032	0.1
803.39099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20492	0.1
59.01348	0.1
61.98826	100.0
62.98536	0.2
69.14040	1.0
71.01380	0.2
98.20815	0.2
133.03006	0.1
148.21869	0.1
161.02481	0.2
170.74278	0.1
209.11839	0.1
273.70636	0.1
462.54276	0.1
781.79724	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	802.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39290	0.5
57.34856	0.4
58.84892	0.4
60.47117	0.4
61.98827	100.0
66.21865	0.5
70.59719	0.5
71.01357	0.5
71.51788	0.4
72.19764	0.4
80.96510	0.9
82.96125	0.6
97.24393	0.5
99.07539	0.4
103.30607	0.5
211.13573	0.5
277.21985	0.9
387.88846	0.4
626.35016	0.5
712.39502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15763	1.0
59.01374	27.4
60.19132	1.1
60.97512	1.3
60.99286	3.7
61.98827	16.7
71.01378	7.1
71.30907	1.0
72.97504	1.3
73.98306	3.5
74.99092	82.4
80.96524	1.2
83.01382	100.0
84.01705	2.0
85.02936	3.0
87.00868	1.3
88.98799	15.6
89.00644	2.4
89.02431	1.5
93.03456	5.4
95.01347	2.5
95.05016	1.8
96.95983	4.7
99.00880	2.5
101.02428	3.3
107.05032	5.6
108.02181	6.6
109.02946	12.0
113.00637	1.3
113.02425	2.1
118.98072	4.6
119.05024	9.3
121.02946	44.0
121.06615	1.3
122.03161	1.2
122.03817	1.1
123.00886	6.0
123.04496	4.3
133.02931	4.6
135.04512	5.9
136.05293	25.8
137.00673	2.4
137.05757	1.7
138.03192	2.2
139.02216	1.6
139.99406	2.2
141.00139	4.3
145.02942	13.4
146.03627	1.6
147.04474	10.3
149.02435	25.8
151.02206	3.9
151.04005	11.4
153.03749	4.6
155.01714	3.2
161.02411	5.2
162.02699	1.2
163.02222	1.9
163.03992	15.3
165.05569	3.0
167.03387	1.1
168.04274	10.2
173.02429	2.2
179.00261	1.8
179.01724	19.9
179.03349	2.4
180.02068	1.5
181.03322	8.4
183.01189	16.9
184.01451	1.5
191.03455	3.9
191.05592	1.0
197.02756	15.0
207.01184	9.1
209.08127	1.1
225.02266	28.5
226.02466	2.0
235.09711	3.2
235.82854	1.1
236.09633	1.2
243.03204	2.4
295.08194	3.9
356.12628	15.6
357.13193	2.2
371.14938	71.6
372.15347	10.0
394.98013	1.1
402.87582	1.1
435.98224	1.1
474.94693	1.2
481.71249	1.2
487.14581	1.2
529.62115	1.1
641.38782	2.3
652.19891	1.2
694.42438	1.2
725.83801	1.0
756.58514	1.1
785.20984	1.6
803.22058	37.7
803.35681	1.8
804.22552	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	804.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98519	0.2
63.99248	0.1
64.77062	0.1
68.49850	0.1
69.26363	0.7
71.01382	0.2
79.95738	0.2
80.96516	1.0
86.78023	0.1
94.98096	0.2
100.85035	0.1
108.53156	0.1
164.98723	0.2
207.03001	0.1
209.11975	0.1
213.03920	0.1
225.00740	0.3
227.18137	0.1
309.31454	0.1
422.85602	0.1
480.22525	0.1
526.86975	0.1
665.80707	0.1
750.97455	0.1
804.38361	0.1
805.40247	1.1
805.54749	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	804.438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83771	0.1
61.98824	100.0
62.86834	0.1
62.98546	0.1
63.61229	0.1
69.92236	0.4
74.35149	0.1
80.96503	0.5
94.98086	0.1
101.64065	0.1
112.13798	0.1
114.27520	0.1
145.13470	0.1
148.99081	0.1
209.11916	0.1
210.12196	0.1
225.00821	0.2
277.21786	0.1
331.79202	0.1
334.85376	0.1
506.93414	0.1
567.73651	0.1
654.88348	0.1
679.57214	0.1
805.40509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.1
59.01376	46.7
61.98814	1.5
65.03957	57.1
68.99793	6.8
69.03444	10.9
71.01009	2.4
71.01374	25.9
71.52237	2.7
71.85787	1.2
72.99281	2.7
73.02941	7.3
75.00811	1.5
77.20726	1.4
77.22289	1.3
79.05530	1.4
81.12770	1.4
83.01376	5.7
85.02939	13.6
87.00838	2.4
89.02425	5.1
91.05504	1.7
93.03448	9.9
95.01356	1.8
95.05020	4.6
97.02879	1.4
99.00871	5.6
101.02436	21.9
105.01935	7.6
106.04217	3.1
111.00862	3.1
113.02439	9.8
119.03529	2.1
119.04991	5.5
121.02915	1.6
121.06579	26.8
124.88774	1.3
125.02412	1.8
127.60244	1.4
135.04440	2.6
137.06137	1.7
139.04007	98.0
140.04305	4.6
143.03503	2.3
147.04514	2.4
161.02412	6.1
161.04539	1.6
165.05563	35.0
183.06633	13.8
185.11760	2.4
209.04497	12.6
318.62439	1.7
329.15994	12.8
345.11847	4.8
347.17023	17.6
359.17075	2.4
373.14200	2.0
387.19598	1.6
389.10931	1.6
389.18066	6.3
429.21301	1.8
675.28235	3.4
701.26575	3.8
719.27563	55.1
720.27869	9.1
807.29181	100.0
808.29431	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	809.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39591	0.3
59.01364	1.7
60.99304	17.4
61.98832	5.0
64.63040	0.4
71.01388	1.5
73.02946	1.6
73.70061	0.4
79.77245	0.4
83.01404	0.7
87.00883	0.4
88.98801	100.0
89.02447	0.4
89.99133	1.0
96.96024	0.6
101.02427	2.4
110.12727	0.4
116.92836	1.3
133.02948	0.6
135.04475	0.5
161.04517	0.8
203.05621	0.5
209.11909	0.6
209.34778	0.4
262.07993	0.4
284.50333	0.5
409.26254	0.4
439.90738	0.5
471.34799	11.9
471.41190	0.9
472.35110	2.3
485.36746	0.9
513.35797	1.4
809.40686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.497
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78848	100.0
95.02731	22.8
98.19983	31.7
107.86375	22.6
221.66849	26.8
277.21655	32.9
365.69708	30.4
475.25403	23.9
504.30499	26.7
810.62604	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	811.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.1
59.01377	3.6
61.20758	0.1
61.98831	0.2
67.01881	0.2
69.03445	0.2
71.01391	0.8
73.02959	0.4
81.03459	0.3
83.01326	0.1
83.05027	0.3
85.02944	6.2
86.03294	0.2
86.70225	0.1
87.00856	1.5
89.02367	0.1
93.02872	0.2
93.03452	2.9
94.03776	0.2
96.95972	0.1
99.00890	0.1
99.04512	0.2
101.02442	0.3
107.82835	0.1
109.02945	0.5
111.04494	0.8
113.02423	0.3
117.03423	0.3
119.05033	0.6
127.04016	1.5
133.02975	0.2
145.02942	0.8
149.04504	0.1
161.02432	0.4
161.04593	0.1
163.03981	1.2
164.04294	0.1
171.02992	0.5
173.04530	1.5
177.01089	0.1
179.03474	0.2
189.12895	0.2
191.05595	100.0
192.05937	3.9
234.43993	0.1
267.51199	0.1
287.04462	0.1
307.13684	0.2
337.09250	27.7
338.09595	2.5
429.21451	0.3
522.53613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.6
61.98826	13.0
62.51674	0.4
69.40340	3.6
71.01372	3.7
72.99300	0.6
73.02961	1.2
79.27093	0.5
80.20470	0.4
83.01359	0.9
85.02967	1.9
87.00890	0.5
88.98802	1.1
89.02463	2.1
90.01902	0.6
93.03452	4.0
95.01398	1.1
96.96013	2.1
101.02451	2.4
105.03471	0.5
108.02180	0.9
109.02921	0.8
112.98498	0.6
113.02452	2.0
119.03524	0.6
119.05025	0.5
121.02956	5.8
122.03741	17.5
123.04536	1.3
124.01647	0.8
125.02473	0.7
132.02184	0.5
133.02962	2.6
134.03745	1.6
135.04527	2.1
136.01634	4.1
137.02457	3.0
139.03996	1.0
145.02946	1.6
146.03777	0.8
147.04568	0.8
149.02428	22.7
149.06035	1.3
150.03215	100.0
151.04002	9.3
153.05621	0.7
160.01733	0.7
161.02461	2.2
161.04599	0.4
162.03242	0.7
163.04065	1.0
164.04778	4.5
165.01910	3.9
165.05556	93.4
166.05920	3.7
175.04050	1.7
177.01787	0.4
177.05560	1.8
179.03464	2.2
179.05663	1.0
179.07039	3.7
180.04259	9.5
181.05049	1.4
188.04745	0.5
189.05583	1.2
190.06313	2.4
191.05537	0.8
191.07129	1.3
192.04208	0.6
193.05035	1.2
194.05814	1.9
195.06609	66.3
196.06981	3.2
205.08745	2.4
207.06612	1.3
208.07382	1.2
214.16101	0.4
225.07642	3.8
242.09850	0.5
270.09009	1.1
271.05893	0.5
285.11429	1.0
291.19629	1.0
293.04065	0.5
299.09207	1.0
313.10938	0.9
314.07889	0.6
315.10953	1.5
329.10263	3.1
341.10242	3.5
343.11859	1.3
344.12579	5.0
345.13037	0.8
356.12607	2.0
357.12888	0.6
359.14935	11.6
360.15369	1.7
371.14899	8.1
372.15216	0.8
373.12869	2.3
387.14285	0.9
389.16013	10.0
390.16397	1.0
401.15912	0.6
419.17072	0.8
421.14966	1.6
422.15475	0.6
537.21582	4.6
538.21686	0.6
567.22260	12.4
568.22711	1.8
585.23370	4.4
589.30237	0.6
597.23370	1.5
613.22729	1.1
614.23529	1.1
615.24365	6.1
616.24628	1.1
669.26361	0.8
715.27502	2.0
745.29083	1.0
763.29724	3.0
764.29907	1.0
793.30743	0.9
811.31750	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	811.4479
Annotation	Aquilegioside G
Peak:m/z	Relative Intensity
57.03432	2.3
57.03693	0.4
58.00592	1.1
59.01374	22.2
60.99294	0.6
61.98825	4.1
65.11346	0.4
69.03438	1.5
69.36751	1.1
69.37158	2.7
71.01376	32.9
72.99283	2.4
73.02937	9.3
83.01376	5.5
85.02938	13.4
87.00855	3.3
88.98800	3.1
89.02439	11.9
91.52007	0.5
95.01399	2.5
97.02950	2.9
99.00872	3.0
101.02434	21.3
105.01967	1.2
111.00852	1.8
113.01720	0.8
113.02441	9.3
113.19212	0.5
119.03491	4.0
121.02918	0.7
125.02430	3.1
131.03452	1.4
133.02907	0.9
135.04501	2.4
141.01967	0.8
143.03479	3.0
150.03125	0.9
159.02986	0.8
161.02440	3.5
161.04524	4.5
165.05553	0.8
179.03444	2.2
195.06555	0.6
209.11726	0.9
221.06573	0.7
230.70656	0.5
245.06680	1.0
263.07733	0.5
409.31198	0.9
439.32431	0.5
455.31534	1.2
467.31311	1.1
469.33566	0.5
487.34222	42.4
488.34702	6.7
513.49158	0.5
631.38452	1.8
649.39368	4.8
650.39655	1.6
652.20190	2.1
811.44794	100.0
812.45142	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	813.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
59.01376	99.8
61.98816	9.6
64.55140	2.0
69.43421	2.1
71.01379	61.8
71.52306	2.2
72.99287	4.8
73.02943	40.8
75.00873	2.4
83.01385	11.9
85.02957	12.5
87.00867	5.3
89.02438	35.6
95.05025	2.2
96.95992	1.7
99.04500	3.6
101.02440	40.7
101.03094	2.2
107.05009	4.5
108.02177	58.0
109.02456	2.2
111.04527	2.1
113.02449	24.7
116.10722	1.7
119.03491	13.3
119.04987	1.7
122.03677	2.0
123.04489	3.0
125.02429	2.8
131.03482	4.0
133.02933	7.0
134.03728	2.4
135.04521	29.0
139.03943	1.8
143.03474	3.3
149.24417	1.8
153.05562	5.1
159.02971	3.3
159.04370	1.9
161.02460	13.3
161.04550	6.0
161.13339	14.4
179.03506	4.6
179.05605	4.1
185.13327	4.9
187.07625	1.9
187.11281	51.6
188.11664	4.6
191.05611	8.5
203.14331	3.7
205.12299	17.5
219.13800	2.7
229.12277	11.7
231.10175	4.2
247.13269	8.4
249.11214	8.8
265.23932	2.0
315.10852	42.7
316.11148	1.9
381.55582	1.9
429.17563	7.5
453.17392	3.2
455.05243	2.4
503.22726	3.9
547.21826	100.0
548.22119	17.4
551.17816	2.0
571.20074	4.4
590.72229	2.0
620.22919	1.9
699.65375	2.3
719.25452	3.1
751.27942	3.9
769.29071	58.0
770.29089	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	813.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83304	0.4
60.99302	18.6
61.98820	0.7
61.99662	0.4
71.51652	0.5
87.00874	1.0
88.00388	1.9
88.98801	100.0
89.02445	8.0
89.99116	0.6
93.85086	0.4
103.38853	0.4
108.79873	0.4
138.34264	0.3
209.11882	1.7
210.12230	0.5
245.04431	0.5
277.21695	1.4
306.17184	0.4
410.62469	0.4
422.20575	0.4
520.98895	0.4
583.44263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.98828	100.0
62.98549	0.2
67.75842	0.1
67.99857	0.1
69.00272	0.2
71.51923	0.2
79.48364	0.2
80.96534	0.6
99.92632	0.2
121.60699	0.2
158.88892	0.2
161.02435	0.4
169.23726	0.2
179.27939	0.2
207.10408	0.2
469.69388	0.2
522.23138	0.2
815.50031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44274	0.1
61.98826	100.0
71.01373	0.2
71.51732	0.1
75.00871	0.6
80.96517	0.7
86.21056	0.2
91.49086	0.2
161.02431	0.2
185.91751	0.2
215.61861	0.2
280.86240	0.2
307.01746	0.1
508.59198	0.2
623.92200	0.2
752.17828	0.2
815.35339	0.2
815.50098	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.1
58.00577	0.1
59.01376	1.2
65.03973	0.2
66.25016	0.1
67.01885	0.3
67.40683	0.1
69.03457	0.2
69.60094	0.3
69.60506	0.3
71.01369	0.8
73.02935	0.4
81.03463	0.2
81.95137	0.1
83.05019	0.3
83.65659	0.1
85.02943	6.5
87.00872	1.3
89.02430	0.1
93.03446	2.2
98.19976	0.2
99.00885	0.1
99.04512	0.3
101.02441	0.3
107.85275	0.1
109.02964	0.5
111.04501	0.8
113.02475	0.1
119.04974	0.1
125.02467	0.1
127.04007	1.8
129.01875	0.1
133.02982	0.6
134.03772	0.1
135.04524	1.3
136.04808	0.1
139.04016	0.3
143.03447	0.3
159.03036	0.1
161.02431	1.7
163.03937	0.1
171.03055	0.5
173.04523	1.1
179.03479	0.8
183.06589	0.2
191.05597	100.0
192.05928	3.4
205.06970	0.1
215.90570	0.1
281.69791	0.1
353.08728	16.3
354.09109	1.2
461.16577	1.8
462.17392	0.2
653.20404	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	815.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91777	0.4
59.01376	7.3
61.98825	3.3
69.03432	0.6
69.47884	1.9
69.48293	0.9
71.01376	5.7
72.99313	0.7
73.02941	3.4
77.03940	0.8
79.95726	0.8
80.96511	3.0
83.01363	1.0
85.02937	3.2
86.00072	0.4
87.00871	2.5
87.04506	0.8
89.02429	1.8
95.01364	0.6
97.02934	0.8
98.19847	0.4
99.00879	1.5
101.02424	3.3
103.03990	0.8
105.03452	1.6
106.10172	0.4
107.05020	1.1
109.02946	2.7
111.00887	0.7
113.02438	2.8
115.04015	1.3
116.10123	0.4
117.03447	1.3
119.03472	0.8
119.05189	0.4
121.02946	1.8
123.04475	0.9
125.02444	1.4
131.03500	1.0
132.02174	3.1
133.02950	47.1
134.03784	6.3
135.04515	53.3
136.04834	1.8
137.02449	3.2
139.03986	1.0
143.03493	1.3
145.02994	0.6
147.04474	0.5
148.05261	0.8
149.02440	0.5
149.06055	4.8
150.03194	0.8
151.04041	0.9
158.03726	0.8
159.03239	0.4
159.04494	1.6
160.01620	1.3
161.02428	100.0
162.02803	4.7
163.06071	0.9
172.05325	1.4
173.06053	1.7
174.03214	1.4
174.06773	0.6
175.03967	4.3
175.07555	0.6
176.04767	1.0
177.01988	0.5
177.05556	5.9
178.02716	3.3
179.03482	51.1
180.03778	2.0
181.05075	2.9
185.06087	0.4
187.03981	1.5
187.07605	4.4
189.05542	1.9
199.04044	0.5
200.04745	1.6
201.05566	6.5
201.09184	1.3
202.06322	2.6
203.03479	14.6
203.07008	1.0
204.04074	1.5
205.07147	1.4
215.03671	0.7
215.07083	2.7
216.07695	0.5
219.10048	0.5
221.04524	3.8
223.06073	1.4
224.96072	0.4
225.00769	0.8
228.07893	0.8
229.08685	2.6
230.09367	3.0
231.10263	1.1
233.04570	2.6
249.11299	1.1
251.05620	1.0
257.08191	0.9
291.35013	0.4
307.10590	0.5
323.07922	0.4
346.59286	0.4
367.10278	0.9
427.12372	3.8
429.13895	0.7
469.13525	1.4
485.13138	1.2
486.13824	5.0
487.14526	35.6
488.14905	5.5
555.20331	1.1
675.22662	2.4
689.23236	0.6
717.23999	5.7
718.24664	29.2
719.24963	6.0
815.31360	17.8
815.49182	3.1
816.31873	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	815.313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.8
59.01377	9.2
61.30276	1.0
61.98831	2.2
65.41361	0.9
69.21049	7.3
71.01385	5.8
73.02940	4.3
75.71114	0.7
80.96532	3.3
85.02936	4.5
87.00880	2.2
89.02453	2.5
93.17242	0.8
95.01384	1.4
99.00879	0.9
99.53445	0.8
101.02454	2.3
103.04013	1.0
105.03480	1.4
107.05042	1.2
109.02929	2.8
113.02467	3.7
121.02950	1.8
125.02427	1.6
132.02110	1.9
133.02951	46.1
134.03806	5.4
135.04518	52.4
135.83740	0.8
136.04906	2.1
137.02438	2.7
139.04013	1.1
143.03516	1.8
145.02882	1.2
147.04495	1.2
149.06076	2.9
150.03227	1.4
159.04468	1.1
161.02431	100.0
162.02805	3.1
163.06114	1.7
172.05264	1.2
173.06055	1.8
174.03197	1.6
175.03983	2.5
175.07642	1.4
177.05518	5.2
178.02693	3.5
179.03484	60.0
180.03825	3.1
181.04990	2.5
186.03224	0.9
187.04071	1.3
187.07622	4.4
189.05469	1.8
200.04790	2.1
201.05576	5.8
201.09195	1.6
202.06293	2.0
203.03490	14.6
204.04140	1.7
205.07103	1.0
215.07042	1.8
221.04523	3.3
223.06020	1.0
228.07930	1.2
229.08635	2.0
230.09395	3.2
231.06439	1.1
231.10130	1.0
233.04483	2.6
249.11298	1.6
251.05486	0.9
257.08270	1.1
427.12360	3.4
486.13596	3.8
487.14545	29.9
488.15012	3.7
675.22980	2.0
717.24060	6.3
718.24646	27.2
719.25085	5.5
815.31256	18.1
815.49646	4.2
816.31757	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	815.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
61.98822	2.7
69.91583	1.2
69.91978	0.9
71.01374	2.6
72.99325	0.8
76.65974	0.5
78.95898	3.0
80.02686	1.0
81.03457	0.9
83.05027	3.7
84.02192	0.6
85.02954	0.8
88.98782	0.6
89.02454	2.1
89.02962	0.4
95.05016	0.8
96.96959	0.9
97.02960	0.5
98.95037	0.5
101.02414	2.8
109.06580	0.6
113.02446	1.3
123.75629	0.5
129.26807	0.6
152.99564	0.6
161.04538	1.5
163.11275	3.0
165.12854	1.9
171.10262	1.3
181.12346	0.6
191.10754	0.6
205.18979	0.5
209.11815	100.0
210.12163	6.2
219.40199	0.5
219.71729	0.6
227.12862	12.2
228.13362	0.8
235.08214	4.6
241.01172	1.3
253.09274	8.6
255.23267	1.9
259.15649	0.6
277.21695	69.8
278.22037	5.6
328.97394	0.5
379.09924	0.6
445.20694	2.4
513.30518	1.2
725.38965	1.4
797.40717	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	816.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.98825	100.0
62.98537	0.2
66.69659	0.1
70.64857	0.2
71.01383	0.2
80.96528	0.2
88.03282	0.1
107.26074	0.1
115.49891	0.1
116.92843	0.1
133.03021	0.2
135.04549	0.1
161.02480	0.2
168.14806	0.1
209.11876	0.2
330.82239	0.1
462.48148	0.1
530.29980	0.1
686.13550	0.1
753.85919	0.1
844.88464	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	816.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.7
61.98826	100.0
62.98544	0.2
71.01390	0.2
71.15133	0.1
71.88158	0.1
80.96510	0.6
94.98104	0.2
95.28350	0.1
141.01717	1.2
161.02409	0.1
186.75327	0.1
223.33095	0.1
248.16373	0.1
277.21704	0.1
359.22208	0.2
397.13550	0.2
403.29184	0.1
419.11597	0.1
434.50394	0.1
452.00131	0.1
460.57861	0.1
816.49670	0.4
817.50574	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37444	0.2
61.98829	100.0
71.01402	0.2
71.52087	0.3
78.95889	0.2
79.95721	0.4
80.96510	1.5
89.06722	0.2
90.85665	0.2
94.50345	0.2
94.98112	0.6
105.81304	0.2
116.92874	0.4
120.35527	0.2
164.98550	0.3
171.10323	0.2
225.00880	0.2
240.49419	0.2
255.23445	0.2
277.21768	0.2
530.59265	0.2
652.34863	0.2
696.95898	0.2
798.42761	0.4
816.50647	1.1
817.49622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.2
61.98827	100.0
62.98517	0.1
71.00161	0.3
79.95736	0.1
80.61637	0.1
80.96521	0.4
82.96096	0.2
84.03460	0.1
103.00621	0.1
103.04073	0.1
116.92825	0.2
146.04564	0.2
161.02493	0.3
181.15651	0.1
197.11803	0.1
209.11734	0.2
487.34604	0.3
818.37177	0.2
818.51526	0.2
819.53528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98533	0.2
76.45187	0.1
80.85305	0.1
80.96496	0.4
97.40116	0.1
98.20654	0.3
104.29396	0.1
104.72793	0.1
116.92868	0.2
119.82582	0.1
161.02513	0.1
179.03526	0.1
183.20854	0.1
203.20815	0.1
209.11942	0.2
210.12355	0.1
292.91248	0.1
455.63547	0.1
499.27988	0.1
776.83551	0.1
818.50842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98539	0.2
69.34893	0.6
80.96526	0.3
98.20605	0.1
98.93355	0.1
164.98662	0.1
165.28900	0.1
209.11827	0.1
210.12238	0.1
225.00812	0.1
277.21826	0.1
279.22604	0.1
345.72440	0.1
429.97672	0.1
819.42407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.9
59.01357	4.1
61.98541	1.2
61.98827	18.4
71.01358	3.2
72.99273	1.1
73.21506	1.0
80.96489	1.5
81.89252	1.0
88.64063	0.9
89.02419	0.9
96.96007	16.4
98.95561	6.5
98.96389	1.3
99.92582	28.6
100.92543	1.2
100.93317	3.4
113.02402	1.3
115.91225	1.4
115.92072	43.5
116.92852	100.0
117.89203	0.9
117.92901	4.9
117.93533	1.3
133.02911	0.9
141.93578	2.2
142.94397	2.3
158.93808	1.2
161.02377	2.3
170.93877	1.0
171.10208	1.0
174.93329	1.4
184.91704	1.5
184.95389	1.5
185.92516	2.0
191.05649	1.1
196.95329	1.1
209.11800	7.3
211.13182	1.0
212.94954	5.0
224.94905	2.1
227.12695	1.4
237.46133	0.9
242.95976	9.8
243.06766	0.9
243.96129	1.2
253.09218	2.0
260.96893	1.5
302.98087	1.3
311.01657	1.0
328.41132	1.1
328.95822	2.5
341.23236	5.4
346.96869	2.5
775.32458	1.1
819.32123	31.4
819.47241	1.9
820.32501	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	819.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	12.6
71.01381	0.5
73.02932	0.2
83.01398	0.2
85.02961	0.3
89.02440	0.2
93.03445	0.1
94.59483	0.1
96.95988	0.6
98.95602	0.1
99.00893	0.1
101.02438	0.5
108.02184	0.2
113.02444	0.3
122.03704	0.6
130.04222	0.2
131.04982	0.2
147.04506	1.1
148.05301	1.5
149.06062	100.0
150.06400	4.8
161.02475	0.1
161.04581	0.2
308.30154	0.1
311.11249	0.2
317.19687	0.4
335.20746	0.7
336.20947	0.1
353.12369	11.4
354.12634	1.1
377.21747	1.8
378.22003	0.2
420.74384	0.1
710.39587	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	819.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
58.00582	0.8
59.01373	100.0
60.01715	1.0
61.98826	1.3
67.01826	0.2
69.27341	0.5
69.27760	1.2
71.01373	19.9
72.01706	0.2
72.99273	1.1
73.02935	3.5
75.00871	0.4
76.74758	0.2
79.05523	0.4
81.03455	0.8
83.01366	1.9
85.02941	6.1
87.00877	1.7
89.02435	16.4
93.07101	0.2
94.49638	0.2
95.01376	1.5
95.05019	0.8
96.95992	1.0
98.19865	0.3
98.95605	0.3
99.00880	1.3
99.04520	2.7
101.02431	11.7
106.04234	0.4
107.05006	1.2
113.02439	9.4
113.06058	0.6
119.03488	7.3
119.04833	0.2
119.54224	0.2
125.02457	0.3
127.11270	0.3
129.01891	0.2
131.03506	1.2
134.06131	0.9
135.04480	0.3
139.07631	1.0
143.03467	2.6
149.04587	0.6
155.06604	0.2
157.06470	0.3
159.03020	0.7
159.11818	0.6
161.02472	0.5
161.04518	4.4
169.10300	0.3
172.08876	0.3
179.05589	9.5
180.05960	0.3
185.09749	0.3
187.11259	9.3
188.11604	0.3
206.58072	0.2
209.11899	0.2
219.13866	3.1
231.10300	0.9
241.09840	0.4
246.93031	0.2
249.11377	0.4
263.12833	12.5
264.13202	1.0
283.10904	0.4
289.13300	0.4
289.16541	7.6
290.16980	0.5
331.17563	3.7
332.18088	0.3
411.16666	0.4
443.19165	9.2
444.19366	1.0
460.75409	0.2
613.23212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.2
59.08678	0.2
61.98822	0.3
69.23565	0.5
69.23979	1.2
71.01373	1.1
73.02942	0.4
79.95730	8.1
80.02741	0.2
80.96510	0.2
83.01388	2.3
85.02947	0.4
89.02454	0.3
95.95251	1.0
96.96005	100.0
101.02441	0.4
109.49108	0.2
110.97587	1.0
113.02419	0.4
119.05054	0.3
121.02941	0.9
123.04498	0.2
124.35112	0.2
124.40909	0.2
133.02980	0.4
135.04491	0.5
135.08211	0.2
136.05316	0.5
141.95789	0.3
147.08154	0.3
161.02448	0.5
163.00731	0.4
163.03992	0.2
179.03625	0.2
209.11809	0.2
217.49475	0.2
223.09752	0.2
225.11311	3.2
241.00026	0.3
242.82715	0.2
245.04584	0.2
271.39407	0.2
287.05933	0.7
305.06998	3.0
306.07312	0.3
312.19839	0.2
329.59814	0.2
356.12601	0.5
357.13052	0.2
371.14883	0.4
375.59598	0.2
377.08984	0.5
389.09180	0.4
449.11255	4.2
527.66132	0.2
665.62799	0.2
821.26807	27.8
822.26978	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	821.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
59.01374	3.6
61.98568	0.3
61.98831	2.5
71.01376	2.0
73.02940	0.8
83.01374	0.5
85.02939	0.5
88.98833	0.3
89.02439	0.4
96.95980	0.3
98.20673	0.7
101.02438	1.9
113.02443	1.1
116.92840	0.8
119.03532	0.3
121.02969	0.3
132.40352	0.3
161.02487	0.3
161.04529	0.5
617.40497	100.0
618.40845	17.8
618.51221	0.5
659.41443	1.6
821.46680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.3
61.98827	2.1
70.19809	0.6
71.01373	1.7
73.02936	0.8
83.01371	0.5
85.02933	0.7
89.02442	0.2
92.46712	0.2
96.95982	0.4
99.00869	0.3
101.02438	2.1
109.55045	0.2
113.02429	0.6
116.92838	0.8
117.57794	0.2
125.02464	0.2
138.20042	0.2
161.02414	0.4
161.04518	0.5
192.51866	0.2
201.11377	0.2
239.19208	0.2
287.81201	0.2
555.66943	0.2
617.40497	100.0
618.40826	19.1
631.41949	0.2
659.41626	1.5
680.29279	0.2
714.42407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.8
61.98827	5.1
69.03450	0.3
71.01378	3.0
71.06591	0.5
73.02943	2.0
75.00851	0.3
79.73482	0.2
83.01376	1.0
85.02942	1.4
89.02431	0.6
96.95995	0.5
97.02955	0.3
99.00879	0.3
99.92564	0.7
101.02439	4.4
106.31267	0.2
113.02435	1.4
116.92851	5.6
117.01935	0.4
117.92871	0.3
119.03522	0.4
125.02403	0.3
131.03508	0.6
159.02933	0.2
161.02419	0.3
161.04539	1.2
179.03426	0.2
179.05894	0.2
191.05624	0.8
203.05392	0.2
209.11729	0.3
211.13419	0.4
221.06642	1.1
224.16312	0.2
288.85217	0.2
339.07422	0.2
344.85513	0.2
382.15564	0.2
387.52673	0.2
445.98389	0.2
449.14139	0.4
457.27563	0.2
499.29074	0.7
617.40521	100.0
618.40845	19.5
631.42053	0.6
632.23309	0.2
659.41534	1.5
660.41901	0.3
821.39343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	2.9
59.01377	85.7
61.98494	1.4
61.98823	23.1
62.72120	1.0
71.01376	60.5
72.99291	5.5
73.02932	7.5
80.59165	0.9
83.01392	3.5
85.02946	18.4
87.00877	3.3
88.98792	2.3
89.02441	55.8
90.02806	1.0
95.01390	3.7
97.02936	1.4
98.19754	1.9
99.00895	3.6
101.02436	36.7
107.05022	1.7
108.02171	16.6
109.02969	2.0
113.02441	30.5
114.93333	1.1
116.92841	4.5
117.01922	1.0
117.92863	1.7
118.92640	1.8
119.03493	31.9
123.04523	3.9
125.02450	1.9
131.03516	2.4
133.02846	1.1
134.03722	4.2
135.04524	25.6
135.55095	1.0
136.04813	1.5
143.03471	8.1
146.22525	0.9
149.04532	2.6
150.03233	2.4
153.05580	6.1
155.10837	0.9
161.02486	1.5
161.04568	8.1
179.05594	15.8
229.41968	1.3
297.09738	11.1
298.90680	1.0
315.10834	100.0
316.11230	6.7
325.11533	1.1
357.11899	8.8
368.63477	1.0
423.23938	7.4
441.24887	13.4
442.24960	1.8
447.23630	3.1
465.25098	5.3
477.25082	1.4
483.25970	27.2
484.26239	4.3
492.86365	1.1
507.25891	6.8
508.25861	1.2
533.33173	1.8
559.29102	1.2
629.22711	1.4
721.34393	3.3
722.34473	1.1
739.35376	4.1
781.36469	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	825.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01699	1.7
61.98822	5.4
69.03454	2.5
71.01380	27.4
71.35037	1.2
72.37486	0.7
72.40673	0.8
72.99291	2.1
73.02946	5.9
83.01377	6.9
85.02950	13.9
87.00882	3.3
89.02439	4.9
95.01365	3.7
96.60773	1.0
96.96043	1.7
97.02943	4.7
99.00871	4.4
101.02436	16.9
111.00893	2.7
112.01679	1.4
113.02444	18.1
113.03172	1.5
116.92838	1.2
119.03530	1.8
124.01647	2.4
125.02441	12.0
127.38981	0.9
129.01965	1.4
135.04527	1.5
143.03490	6.0
156.50371	0.9
159.02956	0.8
159.04347	0.7
161.02463	1.8
161.04590	4.2
178.75591	0.9
180.47803	0.7
209.11716	1.5
223.16565	0.9
260.58194	0.7
283.26425	3.1
284.26584	0.8
308.16919	0.9
329.30548	4.5
365.47467	0.9
473.34799	7.0
491.35947	7.1
492.36096	1.4
569.36993	0.8
581.37170	1.1
599.37909	2.2
617.38959	32.0
618.39349	5.6
635.40063	61.5
636.40405	11.7
653.41034	19.0
654.41644	2.9
677.41138	20.9
678.41034	4.9
695.42157	36.3
696.42694	7.8
737.43103	5.9
738.44586	0.9
765.44501	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02150	0.9
58.13551	0.9
59.01374	100.0
60.01697	1.6
61.98823	8.5
69.03458	2.8
71.01374	29.4
72.99303	1.9
73.02934	8.6
75.00842	1.1
77.82758	0.9
81.03435	1.2
83.01373	6.1
85.02945	21.0
86.00080	1.1
87.00872	3.1
88.98817	1.3
89.02441	7.6
95.01382	3.7
96.96030	1.8
97.02946	3.4
98.67615	0.9
99.00857	3.4
101.02433	18.3
101.78075	0.8
111.00859	1.7
112.01636	1.0
113.02444	19.0
116.92846	3.0
119.03469	1.3
124.01653	3.2
125.02433	10.7
129.02040	1.0
135.04504	1.6
143.03496	6.2
161.02405	2.3
161.04514	3.5
209.11823	1.5
230.83890	0.8
253.38734	0.9
273.64746	0.9
277.16165	0.9
283.26569	1.1
329.30313	1.9
473.34811	4.9
491.35913	6.6
569.36902	1.2
581.36005	1.2
599.37640	1.2
617.39020	30.0
618.39404	5.7
635.40027	59.2
636.40582	9.4
653.41016	15.1
654.41577	3.4
677.41083	25.3
678.41406	4.9
695.42096	36.3
696.42505	5.8
737.42804	6.1
738.43567	1.5
747.43213	1.0
765.43652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75377	0.3
59.01374	9.3
60.01710	0.3
61.98830	0.5
65.03938	0.9
67.01884	0.5
68.99788	0.8
69.03439	1.0
69.16393	1.1
69.16814	2.0
71.01376	12.3
72.99306	2.8
73.02939	1.4
75.00865	7.9
81.03436	0.4
83.01376	0.5
83.05035	0.4
85.02948	13.1
86.03308	0.3
87.00867	5.0
89.02424	3.9
91.03999	0.7
93.03431	1.4
95.01386	3.5
97.02901	0.3
98.20687	0.6
99.00873	5.3
99.04482	0.3
101.02423	0.7
103.00375	1.5
111.00867	0.6
113.02439	18.0
114.02739	0.4
115.00368	1.3
117.01950	1.5
117.03452	2.0
119.05016	24.5
120.05360	1.1
121.02946	0.3
129.01945	1.4
131.03479	0.3
133.02942	0.6
135.04559	0.7
139.04007	1.4
139.18687	0.3
145.02940	11.6
146.03264	0.5
147.04527	1.0
149.04533	0.6
157.01422	0.7
161.02399	0.8
163.03989	24.1
164.04333	0.8
165.05544	2.9
173.04558	0.4
175.02454	1.2
177.01918	0.9
179.03482	0.6
183.06627	1.0
191.05641	2.8
205.03526	0.9
205.07126	0.3
207.05023	1.0
231.05037	0.7
237.07646	2.2
249.06114	13.8
250.06439	0.8
267.07178	54.3
268.07559	3.2
307.81628	0.3
337.09241	1.2
341.09006	0.3
345.11880	3.3
351.10739	0.5
369.11981	0.7
387.16440	0.3
413.10843	100.0
414.11169	11.1
427.86020	0.3
762.64539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00564	0.2
59.01377	100.0
60.01715	0.9
69.03462	0.3
69.56553	1.5
71.01379	9.2
72.99318	0.3
73.02943	3.4
73.03318	0.4
83.01379	1.4
85.02959	3.3
86.45873	0.2
87.00887	0.5
89.02436	3.9
95.01405	0.9
98.19993	0.5
99.00884	0.5
101.02441	5.9
113.02448	3.6
119.03480	1.2
131.03528	0.4
143.03500	0.8
149.04579	1.0
161.02469	0.5
161.04524	3.6
179.05595	1.5
191.05556	0.3
203.05603	2.3
209.15567	0.3
221.06718	0.7
253.17052	0.3
317.29266	0.2
317.44720	0.2
322.21494	0.3
371.20779	1.9
413.21768	6.3
413.27182	0.4
414.22162	0.6
450.66415	0.3
546.54291	0.3
692.93994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	32.7
61.98811	2.8
65.00945	0.6
65.03960	33.2
67.01879	0.9
68.99814	2.3
69.03448	9.3
71.01376	23.0
71.53197	0.9
72.99307	1.5
73.02937	7.7
81.03430	2.3
82.75024	0.6
83.01373	4.3
85.02952	8.1
87.00841	3.2
89.02441	7.9
90.50540	0.6
91.05534	0.9
93.03445	8.3
95.01358	1.8
95.05025	3.7
96.96010	6.4
97.02938	1.3
99.00885	3.6
99.04482	0.9
101.02431	14.6
103.05502	1.5
106.04243	1.7
107.05014	1.4
109.02930	1.2
111.00845	1.5
113.02439	9.7
119.03510	3.4
119.05018	7.0
121.02978	1.3
121.06589	25.1
124.01624	2.1
125.02437	3.5
133.02913	1.5
133.06689	0.7
135.04485	2.3
137.02428	1.0
137.06075	4.3
139.04005	53.3
140.04356	1.2
143.03493	0.9
143.33405	0.6
147.04501	0.8
149.04591	0.9
150.03218	0.7
161.02415	2.2
161.04556	3.8
161.06091	2.8
163.03970	2.5
163.07649	4.5
165.05553	27.8
166.05878	1.2
173.04567	0.9
179.03465	1.0
179.07140	1.5
181.04994	1.0
181.08635	0.8
183.06609	30.7
184.06993	1.0
189.05545	4.2
191.05574	3.7
207.04791	0.7
207.06586	21.4
208.06908	0.8
208.89168	0.7
209.04550	7.8
225.07654	1.2
227.05667	1.1
233.04561	1.4
251.05624	1.7
269.06372	0.8
274.89301	0.7
277.71216	0.7
338.79080	0.6
343.81171	0.9
345.11865	17.7
346.12201	1.2
347.16855	1.0
351.10809	2.6
369.11899	4.8
389.10855	91.1
390.11108	8.4
413.10846	100.0
414.11209	9.5
415.23221	0.7
439.19769	1.4
457.09805	10.4
458.10214	1.5
580.01971	0.7
788.94763	0.7
829.31610	6.3
830.31854	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	831.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	0.6
59.01382	7.9
61.97147	0.5
63.16193	0.5
65.03960	18.2
66.04279	0.8
68.99819	1.0
69.03448	3.9
71.01384	9.7
71.51199	0.5
72.99309	1.1
73.02950	1.9
75.49533	0.5
81.03465	0.8
83.01373	1.4
85.02946	7.7
87.00869	1.8
89.02453	4.5
93.03453	5.5
95.01363	0.8
95.05029	1.7
99.00871	1.8
101.02454	5.9
105.01932	5.9
108.02142	0.7
109.02928	0.8
111.00851	0.8
113.02419	3.6
119.03511	1.6
119.05028	2.6
121.06587	12.7
122.06945	0.6
123.04539	0.6
127.04012	1.5
133.02884	0.5
135.04509	1.5
137.06071	0.7
139.04010	31.2
140.04314	1.3
147.04433	0.6
159.02982	1.9
161.02420	1.7
161.04604	1.1
161.05977	0.6
163.04012	0.8
165.05559	18.6
166.05853	1.0
175.02435	0.8
177.01907	0.7
179.03455	0.5
183.06612	19.5
184.06972	1.3
191.05598	57.5
192.05957	1.6
207.06674	0.7
209.04587	4.7
227.05530	0.6
345.11917	10.2
346.12012	1.0
353.08713	9.6
354.09250	0.6
371.09695	2.6
389.10837	22.2
390.11066	1.2
477.12427	100.0
478.12796	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	831.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.1
59.34552	0.4
62.71403	0.4
69.56301	0.4
71.01377	1.5
71.52246	0.8
72.99309	0.5
73.93997	0.4
74.78767	0.4
85.02940	6.4
87.00867	2.8
89.02422	0.6
93.03445	4.1
101.02457	1.0
101.06086	1.0
108.02222	0.4
109.02952	1.7
111.00881	1.0
111.04508	0.8
113.02412	0.9
119.05024	1.9
123.04517	2.9
127.04005	1.8
132.02133	0.9
133.02950	17.7
134.03743	0.5
135.04509	13.0
135.05534	0.8
136.04826	0.9
137.02420	0.8
139.03992	0.6
145.02943	0.9
145.05031	0.4
147.04543	0.5
149.02452	0.4
150.03217	4.0
151.03996	7.3
161.02428	69.0
162.02773	3.4
163.04013	3.3
171.02979	0.8
173.04532	1.8
175.03963	1.0
177.05595	1.2
179.03474	14.0
180.03853	0.9
191.05594	100.0
192.05913	4.1
193.04935	0.5
203.03505	4.8
207.06653	0.6
221.04530	0.7
233.04486	0.8
275.00504	0.5
281.06613	1.4
323.07639	0.6
337.09256	20.2
338.09567	1.4
341.08780	2.1
383.09677	1.6
403.12326	1.0
475.12369	17.2
476.12341	2.0
485.35297	0.4
493.13483	61.6
494.13770	7.8
639.18762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
60.99295	0.1
67.01887	0.3
69.03456	0.1
70.31259	0.1
71.01383	0.7
71.52468	0.1
71.52818	0.1
73.02950	0.2
81.03462	0.3
82.70527	0.1
83.05054	0.2
85.02943	5.3
87.00070	0.1
87.00877	1.5
93.03452	3.3
99.04503	0.3
101.02444	0.2
108.02134	0.1
109.02935	0.4
111.04517	1.0
117.03455	0.3
119.05013	0.7
123.04349	0.1
127.04008	1.6
133.02983	0.5
134.76559	0.1
135.04486	0.7
137.02396	0.2
145.02908	0.6
150.03215	0.1
151.03986	0.4
155.03366	0.2
159.02950	0.1
161.02431	2.0
163.03984	1.3
171.02992	0.4
173.04501	1.3
179.03520	0.6
191.05597	100.0
192.05923	3.1
221.04651	0.2
281.06497	0.1
337.09253	27.3
338.09595	2.2
393.09683	0.1
447.60410	0.1
475.12360	0.6
476.12439	0.1
493.13364	1.3
494.13943	0.3
522.54688	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	831.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.5
59.03419	0.7
61.98829	18.2
62.05072	0.7
69.78535	3.9
71.01382	7.7
73.02934	1.4
78.95900	1.0
82.40763	0.8
83.01385	69.7
83.05025	0.9
84.01710	1.6
85.02946	2.6
88.98799	2.5
93.03476	1.2
96.96032	1.5
97.02959	1.8
98.19939	1.2
99.00881	1.0
99.04529	0.8
99.08124	1.3
101.02452	3.6
101.12065	0.8
109.06596	2.5
113.02456	5.2
116.92869	0.9
118.01420	0.8
121.02956	10.9
121.03786	1.3
122.03734	13.9
123.04515	7.2
124.01605	0.8
125.02449	1.2
133.02928	1.3
135.04497	2.0
136.01625	1.2
136.05305	2.8
137.02403	1.7
137.06078	11.8
143.03476	1.1
147.04526	5.2
154.02715	0.9
161.02417	2.4
161.04547	5.0
161.06062	3.8
162.06876	1.8
168.04317	1.6
171.10226	3.7
183.13899	1.3
197.11717	1.6
199.13409	4.2
207.10283	2.0
209.08188	2.9
209.11787	11.0
211.13332	13.9
212.13802	0.9
221.08235	4.7
223.13385	1.0
225.11386	1.4
227.12920	1.2
229.14449	6.4
298.12109	1.3
311.22336	3.1
313.14392	2.5
325.20175	4.4
327.21786	2.6
329.23291	84.4
330.23636	8.8
342.11127	7.2
343.11264	0.9
353.23242	2.6
357.13403	100.0
358.13702	12.6
365.23190	2.3
371.23914	0.9
425.25336	1.9
455.25919	1.5
462.46582	0.9
473.27539	4.3
501.93042	0.8
565.47327	0.8
613.67493	0.8
626.27515	0.8
771.41602	1.3
793.22858	0.8
796.45294	1.0
831.41852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.1
61.98829	12.7
69.03446	1.0
69.26286	0.4
71.01376	5.4
72.99305	0.4
73.02953	1.7
80.25361	0.5
85.02935	1.6
87.00838	0.7
89.02421	2.1
90.32310	0.5
93.03449	0.6
95.01364	0.5
97.02915	0.8
101.02429	2.5
103.04005	1.6
105.03476	0.7
113.02448	1.0
114.79986	0.5
117.03454	0.5
119.03480	0.6
123.04525	2.0
125.02428	1.5
131.03468	0.8
132.02173	1.9
133.02943	38.5
134.03348	1.4
135.04520	12.6
136.04858	0.9
139.03931	0.7
148.28828	0.5
153.05577	1.7
161.02428	100.0
162.02756	4.6
163.06119	0.7
179.03465	2.5
244.43744	0.6
265.63846	0.5
461.16742	1.3
477.13953	0.6
527.45142	0.5
607.22400	1.9
769.25525	53.2
770.25879	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	832.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
59.36271	0.3
61.98827	100.0
62.98565	0.2
71.53020	0.4
78.95900	0.6
88.96347	0.2
90.66398	0.2
96.96010	0.3
116.92865	1.9
117.92885	0.7
142.72272	0.3
161.02521	0.3
207.10362	0.3
225.11440	0.3
240.19104	0.2
277.21896	0.2
392.29944	0.3
598.87140	0.3
727.02698	0.3
832.51440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	38.2
61.98816	1.8
66.39467	0.3
68.99550	1.9
70.81791	0.5
70.82113	0.6
71.01376	7.2
72.65522	0.3
72.99338	0.5
73.02939	1.5
77.62630	0.4
83.01389	0.8
85.02946	2.7
87.00886	1.0
89.02428	3.0
93.03433	0.5
95.01385	0.9
97.02966	0.4
99.00896	0.5
101.02443	3.9
105.03449	0.9
107.05047	0.5
108.02186	0.5
109.02957	2.7
111.00914	0.7
112.98561	1.3
113.02434	3.1
117.03423	0.6
119.03481	1.4
119.04987	0.6
122.03764	0.4
123.04517	3.4
132.02184	1.3
133.02951	30.0
134.03798	2.3
134.06122	0.4
135.04518	31.0
136.01680	0.7
136.04839	1.5
137.02426	1.2
137.09724	0.7
138.05598	0.4
139.04012	0.5
139.11285	0.8
143.03522	0.9
147.04546	0.9
148.05312	0.9
149.02417	0.9
149.06033	2.9
150.03209	4.4
151.04004	7.7
152.04343	0.6
161.02429	100.0
162.02795	4.1
163.03983	0.6
174.03210	0.5
175.03992	4.7
176.04393	0.4
177.05548	4.9
178.02739	0.4
179.03488	25.8
180.03778	1.0
189.05528	1.0
191.03467	0.4
203.03493	15.8
204.03825	1.1
207.06612	0.5
207.10144	0.5
209.11801	1.0
209.15433	1.2
221.04559	3.4
225.11382	1.2
233.04507	1.9
251.05592	1.5
281.06631	2.8
283.10898	0.9
289.16660	0.6
308.15512	0.5
315.10822	1.4
323.07645	3.5
331.17709	0.6
341.08755	20.4
342.09198	1.3
371.20636	1.0
397.13547	0.5
413.21765	4.2
415.14554	0.4
431.26392	0.4
449.27655	1.2
474.41055	0.4
475.12402	75.4
476.12756	9.6
487.14029	0.6
491.28375	1.2
671.28516	0.5
719.25116	0.5
833.29181	1.8
834.30615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	38.2
61.98816	1.8
66.39467	0.3
68.99550	1.9
70.81791	0.5
70.82113	0.6
71.01376	7.2
72.65522	0.3
72.99338	0.5
73.02939	1.5
77.62630	0.4
83.01389	0.8
85.02946	2.7
87.00886	1.0
89.02428	3.0
93.03433	0.5
95.01385	0.9
97.02966	0.4
99.00896	0.5
101.02443	3.9
105.03449	0.9
107.05047	0.5
108.02186	0.5
109.02957	2.7
111.00914	0.7
112.98561	1.3
113.02434	3.1
117.03423	0.6
119.03481	1.4
119.04987	0.6
122.03764	0.4
123.04517	3.4
132.02184	1.3
133.02951	30.0
134.03798	2.3
134.06122	0.4
135.04518	31.0
136.01680	0.7
136.04839	1.5
137.02426	1.2
137.09724	0.7
138.05598	0.4
139.04012	0.5
139.11285	0.8
143.03522	0.9
147.04546	0.9
148.05312	0.9
149.02417	0.9
149.06033	2.9
150.03209	4.4
151.04004	7.7
152.04343	0.6
161.02429	100.0
162.02795	4.1
163.03983	0.6
174.03210	0.5
175.03992	4.7
176.04393	0.4
177.05548	4.9
178.02739	0.4
179.03488	25.8
180.03778	1.0
189.05528	1.0
191.03467	0.4
203.03493	15.8
204.03825	1.1
207.06612	0.5
207.10144	0.5
209.11801	1.0
209.15433	1.2
221.04559	3.4
225.11382	1.2
233.04507	1.9
251.05592	1.5
281.06631	2.8
283.10898	0.9
289.16660	0.6
308.15512	0.5
315.10822	1.4
323.07645	3.5
331.17709	0.6
341.08755	20.4
342.09198	1.3
371.20636	1.0
397.13547	0.5
413.21765	4.2
415.14554	0.4
431.26392	0.4
449.27655	1.2
474.41055	0.4
475.12402	75.4
476.12756	9.6
487.14029	0.6
491.28375	1.2
671.28516	0.5
719.25116	0.5
833.29181	1.8
834.30615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.1
61.98820	1.4
69.03454	1.0
69.21121	3.7
69.21527	1.0
71.01376	9.8
72.99290	1.5
73.02943	8.3
75.00851	0.7
76.01508	0.5
81.03490	0.5
83.01376	0.8
85.02941	3.6
86.00083	0.7
87.00877	5.5
87.04517	2.3
89.02417	3.8
89.99195	0.6
96.95984	0.7
97.02928	1.0
98.20771	0.9
101.02433	7.6
102.02775	0.5
103.03995	2.1
105.03448	0.8
105.30502	0.5
107.05041	0.6
113.02466	1.8
115.04008	3.2
117.03474	1.1
119.03484	0.9
121.02949	0.6
121.06450	0.5
123.04549	0.6
125.02394	1.0
131.03522	3.8
132.02144	4.2
133.02948	55.9
134.03775	4.4
135.04515	23.9
135.61925	0.6
136.04796	0.8
139.04005	1.4
143.03490	4.4
145.05077	0.7
145.06488	0.6
146.03706	1.4
147.04514	1.6
149.06038	0.7
151.03989	0.6
159.04486	3.0
160.05254	3.1
161.02425	100.0
162.02791	3.5
163.06087	1.5
172.05263	2.4
173.06023	4.1
174.03204	0.5
174.06769	1.3
175.03979	1.2
175.07559	0.7
177.05569	0.7
179.03487	9.6
186.06943	1.3
187.03984	5.8
187.07590	0.8
197.05997	0.6
201.05542	3.4
202.06332	16.7
203.03487	1.6
203.06783	1.0
205.07150	5.5
211.13382	5.1
220.07597	0.6
221.04539	1.0
257.15433	1.0
281.15350	0.9
283.13382	15.8
284.13693	1.2
299.16367	1.3
301.14401	7.4
301.17831	0.9
302.14709	1.1
309.14896	7.1
315.15884	0.8
317.17450	0.6
327.12094	0.9
327.15958	13.2
328.16281	0.9
345.16992	4.8
363.17990	0.8
424.80539	0.6
467.64038	0.6
525.23083	1.2
653.27808	1.4
670.25604	0.6
671.29138	61.4
672.29462	8.6
833.32263	60.5
834.32697	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	833.381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	2.4
59.01376	36.0
61.98826	16.4
68.99558	2.7
69.03444	1.9
71.01382	26.0
72.99309	3.1
73.02947	5.9
79.92847	1.2
80.02655	3.0
81.03477	6.4
83.01376	6.2
83.05023	12.1
84.02141	2.2
85.02948	9.7
87.00870	9.8
87.90202	1.3
88.98785	2.4
89.02442	23.8
93.03436	3.4
95.01389	3.3
95.05030	2.2
96.96015	7.4
97.02946	10.7
99.00853	4.3
101.02433	20.8
103.04008	1.9
109.02940	2.2
109.06583	33.9
111.00916	1.4
111.04514	1.5
112.98560	1.8
113.02444	13.0
114.24297	1.4
115.03977	1.4
116.92928	1.1
117.03498	1.9
119.03455	5.0
121.02924	2.9
121.06582	3.4
123.04495	5.7
125.02458	6.6
125.09718	1.9
126.90415	5.4
128.55240	1.3
131.03465	2.1
132.02148	1.8
133.02946	30.6
134.03738	8.1
135.04518	34.3
135.08142	3.4
136.05246	1.7
137.02431	9.8
137.09651	1.4
139.03972	1.3
141.01938	2.7
142.02715	1.6
143.03453	3.8
149.02475	1.9
149.06023	2.5
151.03970	1.4
155.10826	1.3
161.02429	78.5
161.04544	3.6
161.09624	1.2
162.02773	2.6
163.06088	2.5
163.11282	20.0
165.12839	4.0
171.10292	1.7
175.02573	1.8
175.03981	2.1
177.05534	3.9
178.02658	1.5
179.03458	30.7
179.05557	7.1
179.10857	1.4
181.12329	6.7
185.11827	1.3
187.09708	1.4
189.09126	1.4
191.10643	1.6
194.02037	1.4
203.03523	8.9
205.07005	1.5
207.10239	81.5
208.10561	5.2
209.11803	100.0
210.12126	4.6
211.13344	4.1
221.04630	2.4
221.06621	3.1
221.11792	1.4
225.11301	46.0
226.11644	2.6
227.12830	15.6
235.08153	3.8
235.13235	1.3
243.12070	1.6
249.11194	3.1
253.09302	2.0
299.14975	1.5
305.08789	1.7
330.11041	1.3
355.47177	1.2
379.12366	2.6
397.13474	31.1
398.13644	2.2
399.21603	3.2
410.02728	1.4
415.14447	10.8
417.22687	5.0
435.23544	1.6
487.14728	6.9
605.24396	4.3
621.18164	2.3
622.18964	11.0
623.26367	7.4
671.29169	25.4
672.29675	6.7
797.35962	17.7
798.36102	2.6
815.37030	25.2
816.37030	4.9
833.37152	39.3
834.36523	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	834.412
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62638	0.1
59.01369	0.4
59.76406	0.1
61.98827	100.0
71.01379	0.4
71.51693	0.1
83.01403	0.2
83.69772	0.1
96.96030	0.2
116.92854	0.2
133.02974	0.3
134.89526	0.1
135.04524	0.2
161.02487	0.6
179.03468	0.2
197.11859	0.3
209.11848	0.2
241.32471	0.1
255.28505	0.1
312.07288	0.1
352.32315	0.1
358.13895	0.3
359.14041	0.2
443.44125	0.1
739.31781	0.2
785.02985	0.2
796.45599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
61.98826	100.0
65.72655	0.2
66.37881	0.2
70.65816	0.4
70.66157	0.4
81.63599	0.2
87.27557	0.2
96.96004	0.4
161.02455	0.3
275.91364	0.2
293.15463	0.2
310.77576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.1
61.98819	1.3
62.42928	0.6
65.03962	28.9
66.04295	0.6
68.03788	0.5
68.99805	3.8
69.03445	5.2
69.41637	1.9
69.42061	2.4
71.01379	25.0
71.26991	0.6
73.02945	3.7
78.32306	0.6
81.03441	0.8
83.01367	2.5
85.02950	6.5
87.00854	1.2
89.02428	2.1
93.03458	6.0
95.01359	0.8
95.05021	3.2
98.20594	1.2
99.00867	4.2
99.13908	0.6
101.01811	0.7
101.02441	8.7
103.05505	1.4
106.04209	0.9
109.02911	0.7
113.02475	3.7
115.00365	14.0
119.05019	2.7
121.02960	1.0
121.06587	14.9
133.01389	0.7
133.02876	0.8
135.04512	2.0
137.06133	0.7
139.04008	52.0
140.04344	2.0
143.03548	0.7
147.04488	0.8
161.02463	4.2
161.04564	1.0
165.05571	14.2
179.03516	1.2
183.06613	9.3
185.11824	1.2
209.04539	9.1
295.19720	0.6
298.88614	0.6
329.16077	5.9
330.16608	0.7
345.11844	1.4
347.17081	9.6
366.31149	0.7
389.18192	1.7
507.10953	0.7
607.16473	0.7
675.28320	2.7
719.27600	100.0
720.27899	20.1
835.28564	2.6
865.75372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98528	0.1
67.06966	0.1
70.73344	0.2
75.95348	0.1
80.96573	0.1
123.35222	0.1
128.07214	0.1
159.72417	0.1
217.35226	0.1
322.61768	0.1
346.70154	0.1
822.01428	0.1
867.13092	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	837.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42664	0.2
59.01377	11.9
69.92364	1.0
71.01376	3.6
72.99280	0.3
73.02940	1.0
83.01401	0.3
85.02956	1.5
89.02441	1.0
95.01376	0.3
96.96001	0.6
101.02437	2.1
105.03448	0.5
107.04977	0.3
111.04535	0.5
113.02442	1.6
117.03444	0.9
123.04518	0.3
132.02147	1.0
133.02946	26.5
134.03339	0.4
135.04517	7.4
136.04817	0.4
136.46599	0.2
137.02495	0.2
151.04092	0.2
157.08716	0.6
161.02428	100.0
162.02769	4.5
171.41489	0.2
177.05560	0.2
179.03502	5.3
179.05600	0.5
191.05592	1.1
221.04562	0.4
240.54095	0.3
269.10272	0.9
281.06540	0.4
303.09662	0.2
311.11292	0.8
314.05157	0.3
384.36292	0.2
394.91626	0.2
395.19794	0.3
481.17090	95.6
482.17450	11.2
572.15228	0.2
591.79645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.6
60.99290	0.3
61.98822	3.7
68.99808	0.3
69.23256	0.5
69.23680	1.1
71.01379	2.5
73.02937	0.7
75.00863	0.2
79.50797	0.2
80.96507	0.4
83.01368	0.4
85.02930	0.7
85.39502	0.2
87.00906	0.2
88.98804	1.6
89.02443	1.3
95.01329	0.2
96.96022	1.2
97.02950	0.3
98.19849	0.4
99.00901	0.2
101.02442	1.8
107.05025	0.6
111.00851	0.2
113.02438	1.7
114.37209	0.2
116.92868	1.5
119.03477	0.8
125.02427	1.2
135.04570	0.3
143.03470	0.4
149.04468	0.3
151.03922	0.2
161.02373	0.3
161.04515	0.9
179.03535	0.3
179.05608	0.5
191.05652	0.2
209.11781	0.2
221.06625	0.4
263.07587	0.4
271.67072	0.2
287.07309	0.2
305.08701	1.2
323.09753	1.0
365.10858	2.2
393.31445	0.2
463.19901	0.2
471.34741	100.0
472.35095	16.2
472.42133	0.4
489.16837	0.2
497.27664	0.6
545.33466	0.5
633.40051	1.2
675.41400	1.1
793.37317	0.3
820.41199	0.2
828.33179	0.2
837.48022	1.1
838.47241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.1
61.98826	16.6
69.03458	1.6
71.01379	45.4
71.52096	1.3
72.01723	1.0
72.77295	1.0
72.99298	1.8
73.02947	13.0
75.00877	1.3
83.01385	6.5
85.02947	20.5
87.00879	2.1
89.02433	9.8
89.58427	1.1
95.01381	2.7
96.95977	1.7
99.00861	6.0
101.02437	33.2
113.02454	13.8
119.03484	3.1
125.02486	1.5
143.03493	3.2
145.02936	1.2
159.02937	2.2
161.04541	11.5
245.06670	1.2
263.07761	1.1
282.75491	1.0
294.17633	1.0
357.13333	2.2
501.98251	1.0
504.54242	1.0
571.39996	2.0
615.38898	7.3
733.45203	8.8
734.46399	1.2
777.44220	100.0
778.44476	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	839.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01717	0.9
61.98825	6.7
69.03452	1.4
71.01378	58.4
71.90768	0.6
72.01690	1.0
72.99301	4.2
73.02942	19.3
73.70605	0.6
80.96491	0.7
81.03449	1.1
83.01379	6.6
85.02948	13.6
87.00869	4.6
88.98801	1.6
89.02438	42.6
95.01397	3.9
96.84418	0.7
96.96017	1.6
97.02926	1.7
99.00891	2.5
101.02435	40.4
102.02753	0.8
107.05038	2.1
108.02164	19.0
109.02982	1.8
111.08166	1.4
113.02440	25.2
119.03491	23.5
122.03748	1.5
123.04535	2.7
125.02418	3.4
129.02165	0.8
131.03523	3.3
134.03760	4.8
135.04512	24.4
135.05530	1.4
137.02444	0.9
143.03482	5.5
149.04495	3.4
153.05574	6.5
161.02507	0.9
161.04556	7.4
179.05608	9.2
223.13388	1.3
271.20676	1.1
273.22302	2.1
275.20123	9.6
289.21863	2.4
293.21219	27.8
294.21637	1.9
297.09760	6.6
298.09979	0.8
307.22949	1.5
307.78964	0.8
315.10825	62.8
316.11044	5.1
317.21323	4.0
343.36942	0.8
357.11752	3.5
437.25424	12.5
437.31201	1.1
438.25879	0.9
455.26443	23.3
455.32593	1.1
456.26923	2.4
461.25702	1.7
473.35486	1.2
479.26279	6.9
497.27518	51.4
498.27740	6.1
505.33594	1.3
514.78870	0.8
521.27643	1.4
539.28882	1.1
542.70020	0.8
547.34784	3.4
573.31049	2.7
574.30756	1.0
617.40503	68.0
618.40942	10.5
735.36255	4.6
753.36951	4.5
754.37396	1.4
795.38788	2.9
796.39844	1.2
843.43964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98834	4.9
69.03443	1.7
71.01376	64.3
72.01720	1.5
72.99295	3.3
73.02943	27.3
75.00848	1.3
81.03415	1.5
81.27504	0.8
83.01374	8.9
85.02946	16.4
87.00858	4.8
89.02437	43.4
93.03442	0.8
95.01382	6.0
96.95999	2.0
97.02930	2.3
99.00854	2.9
101.02436	47.9
102.02784	1.3
107.05035	1.9
108.02170	21.8
109.02994	1.7
111.00837	1.0
113.02441	33.5
116.92867	1.6
119.03492	23.3
123.04483	2.4
124.01608	1.2
125.02442	3.2
131.03493	3.6
134.03731	6.0
134.89439	3.2
135.04514	23.8
142.02696	1.0
143.03511	4.8
149.04521	3.0
153.05556	6.6
161.02446	1.1
161.04543	8.9
179.05608	9.5
187.68240	1.1
273.22311	0.8
275.17371	1.3
275.20135	16.0
276.20511	0.9
277.21649	2.0
289.21655	3.6
293.21158	12.6
294.21280	1.2
295.26263	1.9
297.09711	8.0
315.10828	59.4
316.11276	4.0
317.21255	4.7
325.27359	7.5
343.28564	3.0
357.11798	4.3
437.19647	1.1
437.25385	15.3
438.25519	2.6
455.26486	31.9
456.26712	3.5
461.25433	2.1
471.34839	3.7
472.35214	4.9
473.35504	4.4
479.26413	7.5
487.32785	2.0
497.27515	49.5
498.27762	6.9
505.33856	4.4
506.33557	1.2
521.27356	1.0
529.34174	0.9
547.34802	42.8
548.35260	6.0
573.30939	4.3
574.30847	1.1
597.92621	0.8
617.39551	0.9
629.94373	1.0
735.35425	5.7
753.37134	5.2
779.42615	1.5
795.37823	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	839.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01703	1.4
61.98826	9.9
66.35927	0.6
69.41386	3.3
69.41794	0.9
69.82738	0.5
69.83553	0.5
71.01376	5.8
73.02949	2.7
75.00864	0.7
83.01392	1.7
85.02956	3.6
88.98786	0.7
89.02457	1.9
93.03461	0.6
95.01401	1.1
100.68661	0.6
101.02444	5.2
104.02167	0.7
109.27837	0.6
111.00868	0.8
112.20531	0.8
113.02456	2.3
133.02982	0.8
135.04500	4.9
147.48578	0.6
161.02458	2.5
161.04601	1.1
179.03508	0.8
187.13405	1.0
191.05647	0.8
242.13313	0.6
315.11093	0.6
315.18069	4.4
333.19131	5.1
334.19781	0.7
357.13516	0.8
375.20209	14.7
376.20569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.6
61.98824	4.5
69.16116	9.7
71.01370	7.5
73.02911	1.1
80.47173	0.8
82.95407	1.4
85.02944	2.4
89.02449	7.9
91.44769	0.8
94.44102	0.8
96.96011	7.0
98.19910	1.7
101.02422	5.5
113.02450	2.7
115.92047	1.0
116.92868	1.9
119.03475	5.4
125.02431	4.2
143.03464	2.0
161.04520	1.7
164.49387	0.8
174.52783	1.0
179.05655	5.7
195.72928	0.9
221.06604	3.1
263.07559	1.1
323.09827	23.0
445.72534	0.9
455.35257	100.0
456.35602	13.2
513.55951	0.9
591.30310	2.0
779.45587	12.4
780.45752	1.8
797.74933	1.2
852.07037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.7
61.98831	2.7
71.01381	2.5
71.51983	0.4
72.99294	0.5
73.02975	0.3
83.01356	0.3
83.86043	0.2
85.02937	0.5
87.00888	0.4
89.02442	2.8
96.95995	0.9
101.02430	1.6
113.02464	1.2
116.92840	0.4
119.03486	1.4
125.02435	1.1
130.57722	0.2
131.03470	0.4
142.21640	0.2
143.03491	0.4
161.02431	0.4
161.04587	0.4
179.05591	1.8
183.88029	0.2
221.06606	0.9
296.99496	0.3
323.09824	5.2
323.13620	0.2
324.10309	0.3
409.73462	0.2
455.35260	100.0
456.35611	13.6
591.29523	0.3
779.45734	7.2
780.46082	2.0
831.34308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.5
69.03433	0.5
71.01376	2.5
71.52052	0.4
73.02932	2.5
74.37514	0.3
81.03459	0.3
85.02944	6.8
87.00881	1.9
89.02434	1.4
91.83170	0.3
93.03446	2.7
99.59933	0.2
101.02438	2.0
103.04000	0.6
107.05006	0.3
109.02925	2.6
111.00886	0.8
111.04520	0.9
113.02448	0.4
115.04025	0.7
117.03438	0.6
119.03519	0.4
119.05018	0.6
125.02477	0.6
127.04002	1.3
131.03470	0.7
132.02161	0.7
133.02951	10.5
134.03836	0.5
135.04512	21.0
136.04832	0.8
137.02457	0.5
143.03484	0.8
145.02960	0.6
145.05066	0.3
147.04483	0.4
148.05313	0.6
149.06062	2.4
161.02425	37.5
162.02776	1.3
163.03999	0.7
163.06076	0.5
171.03003	0.4
173.04597	1.4
175.03976	2.9
177.05539	4.3
179.03481	19.4
180.03787	1.0
189.05544	0.7
191.05594	100.0
192.04247	0.5
192.05933	3.7
193.05086	0.4
203.03485	16.2
204.03728	1.0
205.07152	0.7
221.04503	3.2
222.04817	0.3
233.04549	2.0
245.04617	0.3
251.05588	1.1
261.12189	0.4
353.08734	15.2
354.09149	1.2
397.11606	0.7
427.12399	4.3
428.12741	0.4
461.16806	0.6
469.13565	1.1
487.14529	42.8
488.14856	5.0
489.15189	0.4
586.95490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
59.19459	0.2
61.98838	0.3
62.11654	0.2
65.21782	0.2
67.01881	0.3
69.03442	0.4
71.01384	1.9
73.02968	0.5
83.05038	0.2
85.02940	6.3
87.00870	1.3
89.02443	0.4
91.05531	0.3
93.03449	2.4
95.01402	0.6
97.02951	0.4
99.04530	0.3
101.02448	0.6
107.05035	0.4
109.02949	0.8
111.04514	1.0
113.02455	1.5
115.28253	0.2
119.05039	0.3
125.02436	2.9
126.02717	0.2
127.04026	1.6
133.02942	4.9
134.03784	1.0
135.04514	27.5
136.04843	0.8
137.02441	0.5
145.03035	0.3
148.92468	0.2
149.06009	0.6
152.76086	0.2
159.02977	0.3
161.02423	12.5
162.02782	0.5
163.04079	0.2
171.03004	0.5
173.04555	1.3
175.03949	0.5
177.05533	0.6
179.03479	45.0
180.03815	1.8
191.05591	100.0
192.05937	3.2
203.03526	2.1
221.04457	0.5
233.04344	0.3
283.08008	0.3
353.08725	16.6
354.09070	1.3
392.91565	0.2
427.12491	0.6
487.14526	15.4
488.14746	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98824	12.0
69.03419	2.1
70.38204	4.5
71.01377	76.3
72.99284	6.0
73.02940	19.2
75.00876	1.6
79.20676	1.2
83.01369	7.2
85.02947	22.3
87.00865	6.1
89.02440	56.1
95.01396	8.3
96.95992	11.4
97.02934	2.1
98.20757	1.3
99.00857	1.8
99.04558	1.4
101.02432	48.5
102.80812	1.3
107.05015	2.5
108.02165	27.6
109.02927	2.2
113.02442	40.1
116.92803	3.4
119.03494	33.2
123.04494	2.8
124.01598	1.7
125.02406	3.4
131.03496	4.5
134.03714	6.1
135.04523	29.9
136.04926	1.4
143.03496	5.9
149.04514	4.7
153.05566	6.7
161.02463	2.4
161.04535	8.9
179.05602	12.5
211.13289	1.6
223.16914	4.7
277.21686	18.1
279.93927	1.5
291.23181	2.3
295.22745	9.9
297.09659	10.7
315.10818	79.3
316.11090	5.5
317.12347	2.6
319.22675	2.0
357.11835	7.1
376.55771	1.5
429.07126	1.6
439.26883	26.4
440.27194	2.5
457.28000	43.9
458.28235	5.9
463.26630	2.3
481.28116	11.4
499.29041	57.8
500.29547	6.9
541.29999	1.5
549.35864	2.5
575.32178	4.4
737.37433	7.4
755.38403	6.0
781.44019	2.7
797.38770	3.9
798.40198	1.6
807.76611	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01687	1.4
61.98828	12.1
66.95950	0.6
67.01894	0.7
68.99799	0.9
69.03461	2.1
69.61298	1.4
69.61707	3.1
71.01381	36.0
72.99307	3.3
73.02942	9.3
75.00885	0.9
81.03466	2.3
83.01382	10.1
85.02944	18.9
86.00099	1.4
87.00867	5.1
87.04531	0.7
88.98818	1.7
89.02449	5.6
93.03474	1.5
95.01382	5.8
97.02959	4.8
99.00880	4.7
101.02439	17.8
111.00878	3.5
112.01673	2.4
113.02442	19.1
117.03392	0.7
119.03500	1.1
124.01672	3.5
125.02442	13.7
129.02016	1.2
133.02989	1.0
135.04550	0.9
141.01967	0.8
143.03506	5.4
157.12291	1.0
159.03021	1.7
161.02438	2.1
161.04517	3.7
165.05505	1.0
171.13943	1.0
179.03563	1.1
185.15640	0.7
187.11324	0.9
191.05653	0.8
235.04942	0.7
297.24557	1.2
299.25900	3.3
319.13794	0.8
345.30014	10.1
345.33789	0.7
472.46503	0.8
489.34259	8.5
490.34729	1.6
507.35349	8.1
508.36145	1.5
585.36725	1.1
597.36835	2.1
615.38074	2.4
633.23035	1.0
633.38507	47.0
634.38898	8.2
651.39551	65.8
652.39972	13.8
669.40619	17.4
670.41785	2.5
693.40674	32.0
694.41046	7.2
711.41626	34.8
712.41919	8.4
753.42902	8.1
754.43524	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	841.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.24729	1.8
61.98823	29.3
64.38033	1.4
68.04374	1.5
69.03448	4.0
71.01377	50.5
71.53543	1.8
72.99307	2.5
73.02950	13.5
80.96503	8.1
81.03464	2.2
83.01395	9.1
85.02941	23.1
87.00876	9.3
87.04535	1.7
88.98823	2.1
89.02441	17.1
95.01357	4.5
96.95988	3.3
97.02952	4.8
99.00888	3.8
101.02438	29.1
103.56422	1.5
109.95541	1.5
111.00886	2.0
113.02448	29.3
119.03481	5.0
119.05010	1.7
124.01675	2.0
125.02444	15.4
125.67905	1.4
133.02934	2.2
135.04541	3.3
139.04021	1.9
143.03476	5.4
145.02940	2.6
161.02431	4.3
161.04549	5.3
163.03938	1.5
179.03525	3.2
179.05663	2.6
235.95490	1.8
294.38324	1.7
299.26035	1.6
332.07822	1.6
345.30020	6.7
346.30521	1.8
489.34451	11.4
507.35086	4.6
524.30853	1.7
615.37750	2.3
617.13647	1.6
633.38550	41.0
634.38721	7.6
651.39569	65.1
651.50513	3.1
652.39838	10.9
669.40680	16.8
693.40582	33.9
694.40717	7.2
711.41614	44.7
712.42316	8.5
753.42670	10.7
755.31091	2.9
781.43518	7.6
797.31708	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	841.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58051	13.1
61.98816	32.7
69.15376	40.6
69.15777	100.0
80.96510	39.3
115.01339	14.8
121.52053	13.0
163.11626	12.7
173.20834	15.9
179.64529	14.6
199.64316	13.3
277.21671	55.5
309.20679	27.5
841.49683	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	841.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	6.6
73.02939	3.4
77.46978	2.9
85.93653	2.9
86.56372	3.5
99.92575	12.4
100.23216	2.7
100.92578	5.4
116.92855	100.0
117.92868	40.1
118.92633	27.9
118.93389	4.5
135.03217	2.9
170.21707	3.5
193.29306	3.1
241.96570	3.1
253.09230	8.3
276.90353	3.3
293.21207	41.0
294.21524	4.3
841.48987	20.6
842.48871	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	842.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
61.98827	100.0
69.10234	0.3
71.01379	0.4
71.38018	0.3
80.96534	0.7
81.87877	0.2
89.25237	0.2
95.34275	0.2
100.61299	0.2
101.02489	0.4
116.51221	0.3
116.92882	0.4
156.25238	0.2
161.02486	0.3
455.35406	0.8
456.35849	1.1
457.36172	0.9
458.36862	0.5
782.47156	0.4
842.50171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	25.8
60.01704	0.3
62.24423	0.2
65.03970	0.2
68.36629	0.2
68.99825	0.2
69.03441	0.2
71.01375	18.4
71.52309	0.3
72.01699	0.2
72.99302	1.7
73.02945	1.0
83.01381	0.7
85.02946	3.1
85.06578	4.1
87.00864	1.6
89.02435	22.9
90.02776	0.4
93.03465	0.3
95.01391	1.3
96.96016	0.3
99.00903	0.5
101.02434	12.6
113.02446	7.1
113.06081	11.3
113.06898	0.2
114.06442	0.3
115.07634	0.7
119.03490	8.7
119.05000	0.6
120.03818	0.3
125.02397	0.2
127.07635	1.1
129.01955	0.3
131.03490	1.0
131.07127	20.2
132.07475	0.3
133.02983	0.3
135.04514	3.2
139.03946	0.3
143.03450	1.6
146.04539	0.4
149.04527	0.7
161.02434	0.5
161.04547	2.3
163.03989	0.7
165.05542	0.6
173.08151	1.0
179.03340	0.4
179.05594	8.2
180.05898	0.3
191.05617	1.0
193.04907	0.2
193.79431	0.2
209.08183	0.2
209.22098	0.2
292.08252	0.4
293.12387	100.0
294.12735	6.1
341.08673	0.6
377.06372	0.7
519.13684	0.2
526.61432	0.3
549.14380	1.8
556.03351	0.2
851.15332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	49.3
59.63269	0.8
60.01716	0.6
61.98825	41.6
69.03439	1.2
71.01377	40.2
72.99306	2.6
73.02943	13.9
75.00858	0.9
83.01376	7.3
83.04985	0.7
85.02950	14.2
87.00872	2.6
89.02442	19.7
95.01382	4.4
97.02949	1.1
99.00875	3.2
101.02431	29.8
107.04995	1.0
108.34530	0.6
109.06573	1.2
111.04506	2.8
113.02445	20.9
116.92834	3.9
119.03509	6.8
125.02435	1.9
129.20340	0.8
131.03476	1.5
139.07663	1.4
140.20361	0.7
141.01732	1.6
143.03510	3.9
149.04556	0.8
157.08678	15.5
159.02975	2.2
161.02423	1.5
161.04541	23.7
163.07539	0.8
164.21454	0.6
179.03720	0.6
179.05556	3.3
181.44383	0.6
205.03477	0.7
223.13467	0.9
275.20120	8.1
276.20663	0.8
293.21188	10.3
294.21573	1.0
300.29443	0.6
301.12878	12.0
302.13092	1.1
319.13950	100.0
320.14276	6.1
322.67035	0.7
327.21619	0.9
361.14948	5.5
362.15344	1.0
371.15015	1.0
437.25391	9.8
438.25708	1.3
455.26447	9.2
456.26974	1.0
479.26697	1.1
497.27499	16.2
498.27856	2.0
621.39667	1.0
723.85651	0.7
739.39252	0.7
757.39709	0.7
783.45587	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	845.272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
65.03924	0.1
66.71831	0.1
67.01898	0.3
69.03445	0.2
71.01374	1.1
71.52335	0.1
72.99291	0.1
73.02946	0.5
78.20692	0.1
79.17319	0.1
81.03446	0.2
83.01390	0.1
83.05013	0.1
85.02943	6.4
86.03280	0.2
87.00873	1.7
89.02451	0.3
93.03457	2.4
99.00874	0.2
99.04501	0.3
100.41190	0.1
101.02428	0.7
109.02972	0.8
111.04509	1.0
112.06383	0.1
113.02431	0.2
114.66483	0.1
119.03488	0.1
123.04530	1.2
125.02512	0.1
125.06147	0.1
127.04003	1.7
133.02956	0.7
134.03659	0.1
135.04526	1.0
137.02458	0.2
145.05017	0.1
149.02473	0.1
150.03191	0.6
151.04001	3.5
152.04375	0.1
155.03423	0.2
161.02429	1.9
163.06082	0.8
168.89534	0.1
171.02991	0.5
173.04514	1.4
177.01894	0.6
179.03484	0.9
191.05592	100.0
192.05936	3.8
229.08714	0.1
265.09204	0.2
299.96799	0.1
325.11414	0.4
353.08734	15.3
354.09058	1.4
389.10977	0.1
459.14990	2.7
460.15182	0.3
491.17899	2.2
492.18140	0.2
522.67230	0.1
576.58698	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	847.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	0.3
59.01380	3.6
60.44930	0.2
61.98823	2.3
63.55865	0.3
65.03981	0.3
69.03434	0.2
70.46671	0.3
71.01380	3.1
71.52257	0.4
72.99287	0.3
73.02953	0.6
74.87032	0.3
83.01374	0.9
85.02950	1.2
87.00851	0.5
89.02427	2.0
89.03974	0.4
95.01387	0.4
96.96013	0.4
101.02448	1.7
101.53499	0.3
105.03470	0.3
107.04996	0.4
109.02932	2.8
111.00871	0.8
113.02462	1.7
115.01887	0.4
117.03444	0.5
119.03496	0.6
121.03014	1.2
123.04523	3.5
125.02336	0.3
128.25287	0.3
132.02168	1.2
133.02948	29.4
134.03668	1.5
135.04518	33.4
136.04860	1.0
137.02396	0.9
147.04495	1.1
148.05296	0.8
149.02403	0.7
149.06100	2.8
150.03218	4.7
151.03990	5.9
159.04503	0.5
161.02429	100.0
162.02763	4.3
169.21489	0.3
175.04001	4.4
177.05545	4.8
178.02643	0.4
178.05879	0.3
179.03484	26.4
180.03825	1.3
181.22801	0.2
189.05518	0.8
193.05040	0.4
203.03485	16.8
204.03842	0.8
207.06581	0.5
219.06335	0.4
221.04543	3.4
233.04581	1.4
251.05630	1.4
281.06577	2.8
323.07687	2.6
324.07846	0.3
341.08722	18.7
342.08954	1.6
475.12396	68.9
476.12741	8.4
487.14780	0.6
492.74765	0.3
815.31812	0.5
847.31293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.391
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
71.52342	0.3
96.95998	1.6
107.17125	0.2
109.23717	0.2
178.68301	0.2
268.65201	0.2
279.62027	0.2
285.01202	0.2
381.89529	0.2
418.69516	0.2
563.97693	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	17.4
65.03960	16.7
68.22194	0.4
71.01382	4.9
72.99296	0.7
73.02933	3.7
81.03431	0.6
85.02950	1.4
87.00867	0.9
89.02424	1.9
93.03465	0.7
95.05022	0.5
97.02924	0.7
101.02435	4.0
103.04002	0.6
109.02946	3.3
111.00848	0.7
111.86815	0.5
113.02460	1.5
117.03512	1.0
119.03484	0.6
119.04971	1.5
121.06587	4.9
123.04513	5.1
132.02136	2.0
133.02953	30.9
134.03784	2.6
135.04520	39.6
136.04832	1.5
137.02502	1.2
139.04015	6.3
145.02997	0.7
147.04478	0.9
148.05278	1.6
149.02409	0.9
149.06076	4.5
150.03204	4.4
151.04001	9.0
161.02431	100.0
162.02786	4.6
163.03961	0.6
165.05602	3.7
174.03188	0.5
175.03969	5.8
177.05557	7.1
179.03485	31.4
180.03831	2.0
183.06598	9.5
193.04955	0.8
203.03494	17.4
204.03809	1.5
205.07153	0.6
207.06635	0.8
221.04524	4.9
227.05592	2.8
233.04518	1.7
251.05618	0.6
387.16589	4.9
397.11389	0.9
427.12466	1.6
433.10641	0.6
459.15033	0.9
469.13614	0.8
487.14542	23.8
488.14682	2.6
538.98627	0.5
621.18188	94.5
622.18518	14.9
622.26154	0.4
727.59015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	26.3
61.98808	0.6
65.03963	16.7
70.41579	0.6
71.01381	6.6
71.52930	0.9
73.02939	4.3
83.01364	1.4
85.02965	1.9
87.00887	1.7
89.02460	1.8
93.03463	1.2
99.00858	0.9
101.02444	6.2
108.02187	1.3
109.02967	3.6
111.00934	1.5
113.02450	2.4
117.03462	1.4
119.03563	0.8
119.05006	1.1
121.06592	3.7
123.04528	5.1
125.02418	0.6
128.67461	0.8
131.03534	0.8
132.02193	1.8
133.01926	1.2
133.02946	30.8
134.03694	2.0
135.04518	38.5
136.04840	1.4
137.02419	2.0
139.04012	6.2
143.03473	1.5
145.02956	2.0
147.04517	1.7
148.05278	1.5
149.02443	1.3
149.06068	5.0
150.03239	5.8
151.03987	10.1
160.01631	0.8
161.02432	100.0
162.02769	3.9
163.03987	0.7
165.05623	3.2
175.03970	5.9
177.05542	6.4
178.02745	0.6
179.03496	30.4
180.03845	1.4
183.06613	8.7
183.10211	1.5
189.05580	1.1
193.05057	1.3
203.03490	17.0
204.03806	1.1
204.99117	0.6
207.06651	0.9
221.04575	4.2
227.05577	3.1
233.04535	1.4
251.05551	1.1
345.15518	0.9
387.16510	5.7
427.12216	2.6
429.21429	1.2
469.13556	1.3
487.07425	1.2
487.14578	23.1
488.14938	2.7
573.18988	0.9
621.18207	97.1
622.18481	14.7
653.20770	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
90.22283	0.1
129.64291	0.2
223.84584	0.2
229.06555	0.2
378.31711	0.1
473.30081	0.1
527.72308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	3.2
64.16858	0.2
69.03450	0.3
69.55937	1.0
69.56347	0.4
71.01375	7.1
72.99311	0.5
73.02934	1.1
75.00866	1.3
81.03464	0.3
83.01377	0.8
85.02943	2.0
87.00855	0.8
89.02438	6.9
95.01363	0.8
96.95978	0.8
97.02921	0.7
99.00883	0.4
99.45301	0.3
101.02439	5.1
102.02742	0.3
104.60926	0.3
113.02431	3.2
114.02767	0.2
116.92769	0.4
119.03497	3.7
125.02442	3.0
131.03462	0.9
133.02982	0.5
135.04509	0.7
139.03981	0.5
143.03481	1.7
149.04515	0.3
161.02441	1.3
161.04572	1.6
167.03584	0.3
179.03461	0.4
179.05620	4.7
191.05554	0.4
203.03830	0.3
209.11780	0.7
221.06650	2.2
245.06517	0.3
263.07611	0.8
286.61414	0.3
305.08719	0.4
323.09802	16.2
324.10226	0.9
344.42923	0.3
357.13480	0.3
393.31900	0.3
423.32617	0.3
471.34747	100.0
472.35083	14.5
594.70300	0.3
633.40002	1.2
722.98956	0.3
795.45227	11.6
795.60101	0.6
796.45532	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	855.474
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.0
71.01382	3.5
71.52360	0.3
72.03687	0.3
72.96407	0.3
73.02929	0.6
83.01378	0.8
85.02943	1.2
87.00871	0.5
89.02444	3.2
96.96033	0.4
101.02439	3.0
108.02184	0.3
113.02459	1.4
119.03496	1.6
125.02429	0.9
131.03496	0.3
133.02959	0.6
135.04472	0.7
143.03430	0.6
159.37891	0.3
161.02437	1.2
161.04538	0.6
179.03452	0.4
179.05608	1.5
191.05641	0.3
209.25275	0.3
221.06624	1.0
258.85175	0.3
318.24362	0.3
323.09839	3.8
471.34763	100.0
472.35092	14.8
633.40051	8.4
634.40240	1.7
795.45300	7.7
796.45306	1.7
837.43390	0.3
851.26440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77797	0.3
61.98826	3.1
69.50871	0.6
69.51279	1.5
71.01377	5.5
72.90894	0.3
72.99287	0.4
73.02933	0.9
75.00860	1.3
77.96746	0.3
83.01375	0.7
85.02969	1.3
87.00876	0.7
88.98808	0.3
89.02444	5.7
95.01383	0.3
95.27931	0.2
96.96013	1.2
97.02959	0.7
98.95569	0.3
99.38258	0.3
101.02439	4.1
104.45033	0.3
111.36048	0.3
113.02455	2.8
116.92799	0.3
119.03480	2.8
119.04958	0.3
125.02460	2.7
131.03471	0.7
133.02948	0.6
135.04536	0.6
139.04042	0.4
143.03499	1.3
143.40224	0.3
149.04503	0.3
161.02451	1.6
161.04514	1.6
162.02744	0.3
179.03365	0.4
179.05595	4.9
179.07065	0.5
200.84189	0.3
209.11821	0.9
221.06725	2.1
263.07629	0.7
305.08789	0.6
323.09811	16.5
324.10095	0.9
377.28363	0.4
393.31470	0.5
423.32437	0.4
471.34753	100.0
472.35110	14.9
472.40393	0.4
546.80066	0.3
633.40112	1.2
795.45276	11.8
795.60205	0.6
796.45746	3.0
855.36548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	0.9
70.27117	1.1
71.01374	8.3
72.99310	0.7
73.02937	1.5
80.28757	0.4
83.01376	1.1
84.07470	0.3
85.02950	1.6
87.00874	0.7
89.02441	6.9
95.01407	0.8
96.96008	0.4
97.02958	0.5
98.20537	0.5
99.92545	0.4
101.02429	6.5
101.65747	0.3
113.02438	3.9
119.03505	4.0
125.02447	3.5
131.03477	0.7
136.05203	0.4
139.04056	0.4
143.03435	1.7
161.02461	0.4
161.04509	2.4
179.05621	4.4
183.06668	0.4
198.04485	0.3
221.06651	2.9
263.07703	1.1
283.01730	0.3
291.33630	0.3
301.92715	0.4
317.80734	0.4
323.09814	18.3
324.10229	0.6
331.66165	0.3
371.15149	0.4
471.34732	100.0
472.35043	14.5
565.47742	0.4
633.39978	29.8
634.40363	5.2
675.40332	0.5
795.45227	13.7
796.45215	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	857.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	53.0
68.99806	1.5
69.03461	2.6
69.25760	9.5
71.01377	68.9
71.05007	1.3
72.01708	1.6
72.99303	4.8
73.02944	13.5
81.03432	3.0
83.01388	7.1
85.02949	20.3
87.00864	11.6
87.04507	5.7
89.02436	65.8
90.02777	1.3
93.03470	1.7
95.01397	5.7
96.96007	1.8
97.02926	1.5
98.14870	1.1
99.00881	5.9
101.02436	49.3
101.06080	1.2
107.05021	3.6
108.02167	24.1
109.02961	2.0
112.01668	1.4
113.02441	32.6
119.03492	30.3
121.02949	1.4
121.06591	1.0
122.03702	1.6
123.04533	5.0
124.01619	1.7
125.02447	4.1
130.41571	1.1
131.03471	4.5
133.02943	1.3
134.03746	6.9
135.04514	30.5
139.04004	1.7
143.03519	10.0
149.04529	3.4
153.05550	9.9
161.02405	2.8
161.04559	9.3
165.05623	2.1
179.05602	19.0
223.17023	20.8
235.16899	1.8
247.17082	1.3
275.20193	4.4
293.21292	10.1
294.21576	1.3
297.09772	9.4
311.22226	17.5
312.22568	2.4
315.10831	100.0
316.11249	6.0
323.10190	1.2
335.22174	1.2
357.12173	5.3
381.10934	1.2
387.16629	1.3
389.10818	2.1
406.11713	1.2
413.10849	3.7
423.33276	1.2
437.25217	1.5
455.26547	27.9
456.26691	3.8
471.34628	5.3
472.34970	8.7
473.04877	1.1
473.20792	2.1
473.27573	31.9
473.35019	5.2
474.27841	5.5
479.26514	2.3
497.27579	17.3
498.27579	3.1
515.28583	61.6
516.28809	6.1
591.32159	2.4
634.40375	2.1
635.39325	2.6
639.21320	1.2
653.39166	1.8
753.36902	4.4
771.37531	3.9
789.97278	1.2
797.45526	2.2
813.38232	4.3
821.30603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
71.01379	1.6
71.52251	0.1
73.02952	0.4
81.94576	0.1
83.01366	0.2
85.02956	0.3
87.00885	0.2
89.02448	0.9
96.96015	0.2
101.02437	0.9
107.05095	0.1
108.02152	0.3
111.19294	0.1
113.02456	0.7
119.03513	0.5
123.04533	0.1
133.02985	0.2
135.04558	0.4
161.02460	0.6
179.03598	0.1
179.05591	0.3
221.70284	0.1
293.21332	0.3
315.10880	0.6
316.11206	0.3
317.12350	0.3
455.26688	0.2
471.34872	0.7
472.35223	1.3
473.28201	0.3
473.35614	1.2
474.29077	0.3
474.36206	0.9
515.28882	0.3
516.29083	0.3
636.41290	0.1
798.46710	0.3
819.58203	0.2
858.45532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98532	0.3
65.68945	0.2
70.19451	0.8
71.01406	0.2
74.45621	0.2
75.00896	0.3
83.01354	0.3
85.02939	0.2
88.98805	0.3
89.02438	0.3
96.96028	0.3
98.20711	0.2
108.33263	0.2
108.98956	0.2
116.92898	1.0
116.93596	0.2
133.02972	0.4
135.04541	0.4
161.02463	0.5
251.80740	0.2
689.81445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04997	1.0
61.80201	1.3
61.98815	5.0
69.03457	2.3
69.74051	1.0
71.01373	21.9
71.21655	1.7
72.99299	3.4
73.02948	3.0
74.55837	0.9
80.02668	1.0
81.03431	3.4
83.01356	2.0
83.05003	3.2
85.02938	5.0
87.00886	5.9
89.02444	19.7
90.02879	1.0
93.03453	1.2
97.02943	9.9
99.00890	4.6
101.02435	18.2
107.05005	1.0
109.06583	33.0
110.03711	1.3
113.02437	9.0
119.03516	3.5
121.06590	1.8
125.02448	7.8
125.09673	1.9
135.08147	4.0
136.05309	2.1
141.01889	1.9
142.02734	2.9
143.03477	2.4
161.04543	3.7
161.09686	1.5
163.10049	1.8
163.11282	18.8
179.05580	5.9
181.12396	7.0
189.09201	3.1
192.35754	1.0
207.10249	100.0
208.10582	4.8
209.11749	3.3
221.06654	2.0
225.11319	47.8
226.11597	2.0
235.08228	5.8
243.12308	4.9
253.09172	1.5
255.23274	64.7
256.23627	3.8
287.07535	1.7
305.08743	2.3
323.09836	2.1
379.12482	7.9
397.13470	37.9
398.13712	2.7
415.14572	12.0
464.74805	1.1
587.23511	2.4
605.24341	9.4
623.25629	7.7
635.36346	1.6
653.37585	2.1
757.81433	1.2
843.47247	2.0
861.48486	65.9
862.49030	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	863.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.8
66.90942	0.3
67.01875	0.3
69.03438	0.8
69.14455	0.3
70.65131	0.9
71.01377	13.0
72.99313	0.9
73.02935	1.9
73.08236	0.2
80.02675	1.0
81.03436	1.9
83.01382	1.6
83.05022	4.8
84.02165	0.9
85.02946	2.9
87.00884	3.0
89.02441	11.4
95.01373	1.0
95.05031	0.7
97.02939	2.0
99.00861	0.5
99.04490	0.4
101.02433	9.8
109.02926	0.3
109.06601	0.5
109.64696	0.3
111.00897	0.4
111.04549	0.3
113.02439	6.0
119.03487	3.7
125.02435	5.3
125.06078	0.6
127.04062	0.3
131.03490	0.7
135.08147	0.8
139.04019	0.7
141.01979	0.4
143.03508	2.0
149.04578	0.6
161.04564	3.1
163.11270	3.2
165.12827	2.4
167.03383	0.4
179.05580	3.4
181.12321	0.7
191.10770	0.9
199.06120	0.4
199.13139	0.3
207.10350	0.4
209.11815	100.0
210.12164	5.4
217.07068	0.6
221.06664	1.5
221.39468	0.3
227.12860	11.5
228.13161	0.6
235.08200	4.2
245.06776	0.3
251.12868	0.8
253.09358	0.6
255.23270	41.8
256.23590	3.3
259.08130	0.4
263.07739	0.6
269.24799	0.4
287.07785	1.7
301.09445	0.4
305.08865	2.1
323.09747	1.1
350.30420	0.3
361.11160	0.3
379.12418	7.7
380.12924	0.6
397.13461	31.0
398.13736	2.3
415.08951	0.5
415.14499	8.1
416.14511	0.5
564.86023	0.3
589.24792	1.2
607.25842	2.6
634.21448	0.3
635.36609	0.4
653.37573	0.8
708.33783	0.3
843.26337	0.4
863.48792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.2
67.01910	0.1
69.03452	1.2
71.01378	15.7
71.04993	0.2
72.01723	0.2
72.41728	0.1
72.99302	1.3
73.02941	2.4
73.09267	0.1
73.73347	0.1
75.00884	0.3
80.02666	0.9
81.03452	1.9
82.68177	0.1
83.01379	1.9
83.04521	0.2
83.05019	4.1
84.02161	0.7
85.02944	4.0
86.00092	0.2
87.00868	4.4
87.04532	0.2
89.02438	13.0
90.02789	0.2
91.04030	0.3
93.03431	0.4
95.01380	1.3
95.05027	0.8
97.02940	2.8
97.06583	0.2
98.20676	0.4
99.00877	1.0
99.04507	0.2
101.02435	12.2
102.02800	0.3
109.02955	0.2
109.06605	0.2
111.00862	0.4
111.04530	0.5
113.02445	7.0
114.02794	0.3
115.03974	0.4
117.93305	0.1
119.02656	0.3
119.03494	3.8
121.02909	0.3
124.01669	0.3
125.02440	5.8
125.06048	0.5
126.02760	0.1
127.26299	0.2
129.02029	0.2
131.03497	0.7
133.05055	0.5
135.08153	0.6
137.02397	0.2
139.04044	0.7
141.01891	0.4
143.03493	2.8
145.05080	0.3
147.11827	0.1
149.04536	0.4
161.04541	3.1
163.11273	3.9
164.11546	0.2
165.12827	2.6
167.03473	0.4
169.04942	0.2
179.03944	0.2
179.05589	3.4
181.05025	0.2
181.12328	0.5
185.04437	0.2
191.10793	0.8
199.06078	0.5
203.17996	0.1
208.53539	0.2
209.11804	100.0
210.12135	5.6
217.07147	0.7
221.06622	1.2
227.12859	13.6
228.13251	0.7
235.08209	5.6
236.08578	0.2
245.06578	0.3
251.12846	0.5
253.09277	0.9
255.23262	54.1
256.23608	4.1
259.08109	0.5
263.07690	0.4
269.24780	0.5
277.09244	0.2
287.07675	1.6
297.24179	0.2
305.08722	2.0
306.09012	0.2
323.09891	1.2
341.10172	0.1
361.11346	0.3
379.12421	8.8
380.12790	0.6
397.13458	39.7
398.13809	2.9
415.14536	8.1
415.18945	0.1
415.20401	0.1
416.14792	0.5
589.24890	0.9
607.26172	1.2
635.36346	0.7
653.37567	2.3
654.37695	0.5
794.80835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	1.0
66.45786	0.5
68.70817	0.6
69.03451	0.7
69.15753	5.7
71.01377	16.0
72.99306	1.1
73.02943	2.7
80.02682	0.6
81.03451	1.9
83.01387	2.1
83.05025	5.0
84.02150	1.3
85.02950	4.0
87.00860	3.8
89.02439	15.1
95.01408	1.0
96.99323	0.6
97.02964	3.3
99.00878	0.9
101.02429	12.6
111.00842	0.7
111.04526	0.7
113.02443	7.9
116.92817	0.8
119.03528	4.1
121.00036	0.6
125.02435	6.5
127.03983	0.7
127.50919	0.5
131.03459	1.1
141.01720	3.8
143.03502	2.5
149.86957	0.7
161.04529	3.8
163.11275	3.6
165.12842	2.4
179.05600	4.5
191.10667	1.1
199.06261	0.7
207.10315	0.9
209.11804	100.0
210.12143	5.2
221.06656	1.2
227.12872	14.9
235.08176	4.7
251.12856	1.1
255.23259	55.6
256.23651	3.5
271.77838	0.7
287.07718	2.0
305.08868	1.6
316.57220	0.8
323.09723	1.0
379.12411	7.9
397.13474	43.7
398.13757	2.3
415.14551	8.2
464.42093	0.7
490.03946	0.7
607.26001	1.1
635.36383	0.8
653.37677	2.2
811.52234	0.7
863.49323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	3.1
69.03460	1.5
70.26496	1.3
71.01382	7.7
72.99316	0.7
73.02943	3.0
76.54864	0.4
81.03456	0.6
83.01372	0.8
85.02947	3.4
87.00886	1.0
89.02455	2.8
97.02934	1.8
101.02432	3.5
103.04015	2.2
105.03457	0.9
113.02434	1.0
115.01884	0.5
115.03983	0.4
117.03452	0.4
119.03497	1.1
121.02954	0.4
123.04549	0.4
123.58389	0.4
125.02418	3.1
131.60027	0.4
132.02153	2.8
133.02951	51.3
134.03543	1.6
135.04515	11.7
136.04845	0.5
143.03487	0.6
146.03654	0.5
147.04553	0.4
159.04536	1.5
160.01620	0.5
160.05153	0.4
161.02434	100.0
162.02766	4.2
163.06142	0.5
167.54401	0.4
172.05345	0.8
173.06084	2.5
179.03485	7.3
180.03882	0.5
187.03960	1.0
187.07629	8.4
187.13327	0.6
201.05574	2.8
202.06343	10.4
203.06767	0.6
205.07053	0.4
213.09395	0.4
216.07890	0.6
219.10248	1.0
220.07321	0.8
231.10248	7.1
232.10555	0.5
249.11354	3.1
265.77255	0.4
269.77530	0.4
345.15045	0.4
375.14520	0.6
557.22534	0.4
703.28070	7.8
704.27869	0.5
818.87213	0.4
847.29346	0.8
865.31262	53.3
866.31580	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	867.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02409	0.3
65.03959	21.1
66.04295	0.5
67.01878	0.4
68.99813	1.6
69.03448	5.5
70.00668	0.3
71.01376	12.5
72.99310	0.6
73.02934	2.8
77.39433	0.4
83.01380	1.5
83.99100	0.3
85.02946	6.1
87.00851	1.5
89.02439	6.2
93.03439	3.8
94.58963	0.3
95.01388	2.3
95.05029	2.6
98.20649	1.0
99.00861	1.7
101.02430	8.0
103.05535	0.8
106.04227	1.1
107.05035	0.7
108.02153	2.2
109.03003	0.7
111.00843	1.5
113.02443	10.6
114.02663	0.3
119.03493	2.0
119.04996	2.1
121.02976	0.5
121.06590	15.7
122.06873	0.5
123.04516	4.7
125.02496	0.6
131.03484	0.5
133.03041	0.3
135.04520	0.3
137.06033	0.4
139.04002	33.0
140.04329	0.5
141.01926	2.7
143.03476	1.0
147.04477	0.7
150.03221	2.3
151.03996	11.9
161.04555	4.0
163.06126	1.1
163.07516	0.7
165.05550	19.6
166.05882	0.6
179.05589	1.6
179.07014	0.5
181.04985	0.5
183.06609	18.4
184.06964	0.8
198.08983	0.4
207.06654	0.7
208.76343	0.4
209.04561	5.7
225.07538	0.5
227.05544	1.6
227.65024	0.3
228.99680	0.4
315.10709	0.5
329.08810	0.5
345.11868	21.3
346.12225	1.2
389.10852	100.0
390.11133	7.4
390.15704	0.6
459.15073	3.0
477.16232	15.5
478.16180	1.0
614.59113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	23.7
66.04274	0.6
68.99810	1.4
69.03452	5.3
70.90458	0.3
71.01377	15.2
72.99290	1.1
73.02937	2.1
80.78970	0.3
81.03455	0.6
83.01383	1.8
85.02946	5.0
87.00871	4.0
89.02440	12.1
91.05519	0.6
93.03452	3.5
95.01366	1.3
95.05032	2.7
99.00887	2.0
101.02435	11.9
103.05531	1.0
106.04216	1.0
107.05030	1.0
109.38281	0.3
111.00897	0.8
113.02441	6.2
119.03495	4.6
119.05000	3.1
121.02938	0.4
121.06591	15.0
123.04522	1.7
124.55363	0.4
125.02409	0.4
131.03508	0.9
135.04515	15.5
137.06084	1.0
139.04005	35.7
140.04276	0.9
146.06229	0.3
147.04530	0.5
151.03908	0.5
153.05566	1.5
159.02962	0.6
161.04527	1.5
163.07608	0.6
165.05556	22.2
166.05917	0.9
179.05588	0.7
179.07097	0.4
183.06609	18.2
184.06923	0.9
207.06543	0.4
209.04544	6.2
227.05551	1.5
243.90022	0.3
285.09567	0.4
315.10822	53.3
316.11093	3.7
329.08771	0.9
331.19742	0.3
345.11859	20.3
346.12234	1.5
389.10855	100.0
390.11182	8.2
421.38052	0.4
477.16156	10.1
478.16489	1.0
869.21240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.9
63.02830	0.5
65.12814	0.6
69.03451	3.0
70.48804	1.6
71.01378	82.4
72.01714	0.7
72.05761	0.5
72.99301	4.1
73.02940	100.0
74.03291	1.1
75.00865	2.2
81.03436	0.7
83.01382	31.6
85.02947	8.8
87.00887	2.8
88.98834	0.6
89.02438	23.3
89.62747	0.5
95.01398	2.6
96.26009	0.5
96.96030	0.6
97.02941	2.0
99.00864	2.9
101.02435	97.2
102.02780	2.2
113.02444	29.8
114.02821	0.7
116.92848	0.9
117.01913	0.5
119.03495	11.6
125.02424	4.4
131.03493	10.4
133.02937	2.0
135.04533	2.9
136.04794	0.7
137.02464	0.6
137.98422	0.5
143.02431	0.8
143.03485	11.3
147.02991	1.0
149.04546	25.5
150.03152	0.6
155.03455	3.6
161.02573	3.8
161.04539	36.8
162.02744	0.7
162.04832	0.7
179.03432	2.9
180.03860	0.8
181.03802	0.6
191.05629	1.5
203.05557	5.5
221.06641	12.9
314.58313	0.5
317.60425	0.6
326.20227	0.5
340.20166	0.5
447.16763	0.4
447.22305	10.8
448.22583	1.1
526.61652	0.6
537.23071	0.7
619.27216	0.6
730.08197	0.7
867.32605	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	867.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	5.7
71.01373	15.4
71.51640	1.0
71.52074	1.0
72.99277	2.2
73.02938	3.3
80.96533	1.2
83.01365	1.5
83.36579	0.9
85.02946	4.1
87.00850	3.9
89.02450	14.3
95.01385	1.1
97.02952	2.6
99.00877	1.3
99.12973	1.1
100.93822	1.0
101.02443	12.9
103.62072	0.9
113.02438	6.8
119.03504	5.7
125.02442	6.7
125.09750	1.3
129.01865	1.1
139.69984	0.9
143.03450	3.3
161.04539	2.7
162.34657	0.9
171.10257	100.0
172.10597	3.3
179.05589	3.5
217.07199	1.4
235.08255	4.3
255.23274	68.8
256.23605	5.1
287.07791	2.3
305.08780	2.7
323.09760	1.3
379.12384	20.2
397.13449	37.4
398.13696	3.0
415.14484	4.6
440.75943	1.0
551.23358	4.6
569.24188	2.9
635.36145	4.1
653.37531	8.3
654.37500	1.1
783.41583	1.9
807.47253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.51
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
71.01369	12.7
71.52893	1.4
73.02944	3.9
75.12207	1.3
83.01385	3.5
85.02957	7.4
87.00871	1.6
89.02454	2.7
96.95998	3.3
99.00887	3.0
101.02431	8.7
113.02433	6.2
133.02959	1.9
135.04527	3.0
161.02472	2.6
161.04541	4.5
445.71545	1.5
476.91913	1.3
510.16296	1.4
603.42554	1.6
617.40515	1.8
707.17993	1.6
747.46942	7.1
748.46936	2.0
765.47937	4.5
767.90710	1.6
807.48712	7.6
808.49286	2.2
867.50720	4.2
868.51068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72621	0.1
61.98826	100.0
71.43591	0.2
80.96539	0.1
128.81354	0.1
204.58452	0.1
219.71428	0.1
251.67490	0.1
296.90732	0.1
346.48798	0.1
370.52643	0.1
422.96115	0.1
479.31989	0.1
722.15973	0.1
783.41772	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
69.61622	0.1
71.40019	0.2
125.55347	0.1
151.72356	0.2
172.46902	0.1
190.79170	0.1
209.35919	0.2
257.45291	0.2
334.63135	0.2
434.22287	0.2
510.56674	0.2
550.81934	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	4.0
65.03959	64.8
65.06451	0.9
66.04285	1.3
68.99818	7.1
69.03446	12.7
71.01376	33.1
71.53049	0.9
71.99535	1.0
72.44490	0.8
72.99294	1.3
73.02941	10.8
79.05511	2.5
81.03450	1.3
83.01389	5.1
85.02946	10.8
87.00864	3.1
89.02448	10.7
93.03445	12.5
94.03784	1.1
95.01366	2.2
95.05014	6.3
96.95998	1.1
97.02976	1.0
99.00883	7.0
101.02439	23.1
103.05540	2.9
106.04245	3.5
107.05021	1.9
109.06593	1.9
111.04494	2.9
113.02439	14.0
119.03486	3.7
119.05013	8.5
121.02955	2.8
121.06591	33.9
125.02473	2.4
133.02861	1.4
133.06586	1.2
135.04529	3.0
135.08145	9.8
137.02370	0.9
137.06099	2.2
139.04008	93.1
139.07632	2.3
140.04329	2.1
142.18582	0.9
143.03395	1.5
144.58725	0.9
147.04489	1.6
153.09184	7.4
157.08711	4.7
161.02438	1.7
161.04538	7.7
161.06058	10.4
165.05566	36.2
166.05891	1.2
177.09132	1.5
179.07115	2.2
183.06610	27.5
184.06929	1.5
187.11287	1.8
191.05576	3.4
195.10405	0.9
207.06631	0.9
209.04538	19.8
209.11714	1.2
210.04892	1.1
221.08148	1.2
227.05533	2.8
319.13824	1.4
321.70410	1.0
327.10956	1.6
345.11923	13.5
371.10153	0.9
373.22305	1.2
381.05191	1.1
389.10898	25.4
390.11246	2.0
415.23398	3.0
455.24512	0.9
481.21100	1.5
499.21710	5.9
507.18567	3.8
517.14978	3.0
551.17694	6.2
679.19946	4.8
680.20740	1.1
827.33783	2.8
871.32306	100.0
872.16705	1.9
872.32782	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	871.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	1.7
69.03456	1.2
71.01375	13.7
71.14684	1.3
72.99309	2.0
73.02936	2.0
83.01389	1.1
85.02955	2.7
87.00866	2.5
89.02440	12.7
95.01389	1.4
97.02936	1.7
97.06580	1.9
99.00895	1.1
101.02422	8.9
102.73680	0.9
107.73001	0.9
112.98593	1.3
113.02454	4.6
117.46950	0.8
119.03504	2.6
124.87457	0.9
125.02418	2.4
151.11279	9.6
161.04478	1.1
169.12329	70.0
170.12660	2.7
179.05650	1.1
184.41631	0.9
213.11368	8.2
221.06648	3.1
235.08104	1.0
277.21722	17.4
397.13586	1.8
415.14352	1.0
450.78821	1.2
611.25201	2.6
833.11578	1.1
871.46942	100.0
872.47113	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	871.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	1.4
64.32746	0.3
71.01378	6.1
72.99287	0.4
73.02943	1.2
75.00839	0.3
83.01366	1.4
85.02959	3.4
87.00854	0.8
89.02450	2.3
95.01373	0.7
96.95999	0.8
99.00881	0.8
101.02448	3.9
104.23029	0.3
113.02445	3.9
119.03457	0.9
125.02451	0.8
131.03479	0.4
139.04015	0.5
143.03430	1.0
161.02425	0.7
161.04543	1.9
179.05533	1.1
191.05598	3.3
221.06577	0.6
247.13406	0.8
323.09842	2.9
335.76376	0.3
337.09241	0.5
487.34250	23.2
488.34583	2.6
579.76514	0.4
621.34326	0.3
639.84753	0.4
649.39502	100.0
650.39832	16.3
663.40472	0.7
691.40491	5.7
692.40631	1.1
721.41400	0.6
811.44818	3.8
812.45374	0.9
871.47247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	3.5
65.03959	50.3
66.04311	1.2
67.01891	1.5
68.99815	6.2
69.03442	10.4
71.01377	18.8
73.02941	7.2
83.01376	2.9
85.02962	9.4
87.00854	2.3
89.02448	7.5
93.03451	10.6
95.01373	2.1
95.05009	6.0
96.96014	1.8
98.40549	1.2
99.00913	6.6
101.02435	13.9
106.04249	2.3
107.05091	1.5
107.07230	1.3
108.02090	1.1
109.06569	1.7
111.04502	3.7
111.05263	1.2
113.02442	9.5
119.03511	1.7
119.05024	5.1
121.02991	1.6
121.06590	25.9
122.07006	1.4
135.04500	4.7
137.06120	1.5
137.09714	27.6
138.09979	1.6
139.04004	82.2
139.07597	1.9
140.04338	2.7
147.04575	1.6
155.10765	19.4
157.08678	3.8
161.02426	4.5
161.04543	2.9
165.05556	22.4
166.05952	1.5
179.03474	2.3
179.10645	1.6
181.08678	2.9
183.06616	13.6
191.05594	18.6
195.10257	2.1
199.09747	4.9
209.04555	15.8
223.09819	2.1
229.09143	1.6
319.13995	1.6
345.11774	3.9
353.08569	2.7
357.13492	2.0
389.10675	3.0
473.19040	1.5
501.23395	10.5
829.34705	4.8
873.33978	100.0
874.34186	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	873.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	2.0
67.01874	1.9
69.03440	4.9
70.98070	1.6
70.98412	1.5
71.01378	94.7
71.17333	1.3
72.99300	3.2
73.02941	100.0
74.03314	1.8
75.00890	2.1
75.52556	1.5
81.03429	1.5
83.01382	28.6
83.19215	1.2
85.02940	20.5
87.00877	6.0
89.02439	24.8
89.02953	2.3
89.48952	1.3
89.51112	1.5
93.03459	10.4
95.01385	6.5
97.02959	3.5
97.06561	2.6
99.00861	3.8
101.02437	96.6
108.02159	1.6
110.32889	1.3
111.04494	1.5
113.02443	41.6
119.03497	13.0
122.35297	1.3
125.02450	4.5
130.58794	1.4
131.03477	10.0
133.02962	7.3
134.07388	3.2
135.04483	4.7
139.03966	1.3
143.03490	11.5
147.08118	4.5
149.04532	21.2
149.05800	2.6
149.09711	98.4
150.10051	5.1
155.03481	3.7
161.02516	2.6
161.04549	39.6
162.04944	1.8
162.45215	1.4
167.10701	1.9
173.04514	2.9
176.15665	1.4
179.03377	2.8
179.05602	4.0
181.08694	6.9
191.05592	10.2
203.05632	13.2
215.05589	1.9
221.06706	12.3
311.15048	4.1
324.60461	1.4
329.16122	3.7
351.07291	2.4
371.16934	25.0
371.20932	3.6
413.21786	16.4
424.95276	1.7
456.43597	1.5
557.12982	9.1
558.13574	2.5
714.86176	1.6
873.24091	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	873.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	2.0
67.01874	1.9
69.03440	4.9
70.98070	1.6
70.98412	1.5
71.01378	94.7
71.17333	1.3
72.99300	3.2
73.02941	100.0
74.03314	1.8
75.00890	2.1
75.52556	1.5
81.03429	1.5
83.01382	28.6
83.19215	1.2
85.02940	20.5
87.00877	6.0
89.02439	24.8
89.02953	2.3
89.48952	1.3
89.51112	1.5
93.03459	10.4
95.01385	6.5
97.02959	3.5
97.06561	2.6
99.00861	3.8
101.02437	96.6
108.02159	1.6
110.32889	1.3
111.04494	1.5
113.02443	41.6
119.03497	13.0
122.35297	1.3
125.02450	4.5
130.58794	1.4
131.03477	10.0
133.02962	7.3
134.07388	3.2
135.04483	4.7
139.03966	1.3
143.03490	11.5
147.08118	4.5
149.04532	21.2
149.05800	2.6
149.09711	98.4
150.10051	5.1
155.03481	3.7
161.02516	2.6
161.04549	39.6
162.04944	1.8
162.45215	1.4
167.10701	1.9
173.04514	2.9
176.15665	1.4
179.03377	2.8
179.05602	4.0
181.08694	6.9
191.05592	10.2
203.05632	13.2
215.05589	1.9
221.06706	12.3
311.15048	4.1
324.60461	1.4
329.16122	3.7
351.07291	2.4
371.16934	25.0
371.20932	3.6
413.21786	16.4
424.95276	1.7
456.43597	1.5
557.12982	9.1
558.13574	2.5
714.86176	1.6
873.24091	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	875.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86829	0.5
69.03424	0.5
69.38052	0.4
70.82586	1.0
71.01378	1.9
72.99307	3.3
73.02944	1.5
85.02938	1.3
87.00874	1.0
89.02448	1.0
97.02958	0.8
101.02447	2.3
103.04025	0.9
103.05544	0.8
115.03979	0.8
117.03451	0.7
119.05015	5.0
123.04499	1.0
131.03485	1.0
132.02141	1.2
133.02946	31.6
134.03316	1.1
135.03499	0.8
135.04523	16.5
136.04854	0.7
143.03523	1.2
147.04509	57.7
148.04846	2.6
153.05548	0.8
161.02428	91.8
162.02774	3.8
163.06204	0.5
165.05557	45.0
166.05891	1.7
179.03482	10.8
191.05521	0.6
192.05992	0.5
205.07162	1.5
207.06601	25.6
208.06920	1.1
262.36981	0.5
279.38962	0.4
443.15201	0.7
461.16742	3.1
623.19763	100.0
624.20081	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	875.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	7.6
65.03967	0.7
67.01891	0.8
69.03449	0.6
69.73218	0.3
71.01383	1.7
71.39766	0.3
71.53579	0.4
83.01385	1.8
85.02920	0.8
87.00901	0.4
89.02446	0.7
91.01869	0.9
91.05514	0.3
93.03440	1.8
95.01382	0.4
96.95968	0.4
97.43123	0.3
101.02410	1.1
107.04998	0.3
108.02161	3.1
109.02959	2.1
110.73682	0.4
111.00886	0.4
113.02420	0.7
119.05024	0.6
121.02949	8.4
121.06618	0.5
122.03723	1.2
123.00882	2.4
123.04518	3.7
124.01623	1.1
125.02404	1.0
133.02945	1.0
134.03714	1.7
135.00890	0.4
135.04520	3.4
136.01654	25.4
136.05203	0.5
137.02461	5.6
137.06055	0.8
139.03938	1.0
143.05045	0.3
143.06435	0.3
145.02908	1.1
146.03705	1.8
147.04544	1.9
149.02393	1.2
149.06018	1.1
150.03203	0.7
151.00381	0.8
151.03995	15.8
152.01149	0.7
152.04362	0.4
152.22151	0.4
154.02643	0.5
158.03745	0.5
159.04463	1.5
160.05257	1.2
161.02414	2.1
161.04729	0.6
161.05995	2.5
162.03207	5.0
163.03996	4.2
164.04837	2.2
165.05544	0.6
168.04169	0.4
171.04541	0.4
172.05261	1.4
173.06000	1.3
174.03204	0.7
175.04005	5.0
175.07614	0.5
176.04736	1.9
177.01889	0.7
177.05571	3.4
178.02701	0.5
179.03481	0.7
179.07068	1.0
185.11717	0.5
187.04010	0.6
187.07629	0.5
187.43390	0.4
188.04778	0.4
189.05554	2.0
190.06334	4.3
191.06946	0.9
193.04990	1.0
203.07146	0.5
204.04234	1.0
205.05011	0.9
205.08638	0.4
209.04514	0.5
219.06619	0.5
225.05295	0.4
243.06535	0.9
255.06465	0.5
258.08911	0.6
265.04984	0.6
267.06671	0.6
268.07239	0.4
269.07947	0.4
279.06644	0.4
281.08005	0.9
286.04971	0.5
290.08008	0.9
297.11328	0.5
299.09158	0.4
309.07584	0.6
311.09122	0.5
313.20209	0.4
327.12497	0.5
329.10220	0.6
341.09958	0.5
342.10971	1.3
355.11829	0.6
357.09711	2.5
357.13531	1.2
372.11951	0.4
432.11774	0.7
433.12228	0.3
445.12622	0.5
447.14417	0.7
460.11255	0.5
471.55844	0.4
475.13760	0.7
476.14713	0.4
477.15604	0.6
478.16208	0.7
486.12424	0.4
487.14078	0.4
488.15399	0.4
492.14166	1.0
493.14835	1.0
501.15540	1.8
503.17181	1.8
507.16592	2.4
517.18427	0.5
519.16180	0.6
545.17694	0.3
653.23645	1.8
681.23596	0.9
683.24866	3.6
684.24945	0.6
695.24573	0.5
698.23541	0.9
713.25916	100.0
714.26221	17.7
831.37329	0.9
875.30908	9.1
876.31207	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	875.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80967	0.2
66.98529	0.2
69.27779	0.5
69.28201	0.8
71.01379	0.8
73.02925	0.2
75.00866	0.2
83.01331	0.2
83.74667	0.2
85.02945	0.6
87.00859	0.4
89.02419	0.5
93.03450	0.7
98.20667	0.3
99.04495	0.2
101.02425	0.3
113.02441	0.4
117.03480	0.4
119.05017	100.0
120.05346	3.4
133.02979	0.3
135.04488	0.4
145.02919	1.4
161.02408	0.4
161.04622	0.2
163.03992	96.1
164.04332	4.3
165.05478	0.2
179.03397	0.1
179.05556	0.9
183.06783	0.1
191.05595	1.9
191.87590	0.1
205.05000	0.3
225.64410	0.1
268.10010	0.2
293.12357	0.3
325.09238	20.3
326.09552	1.7
549.14478	0.5
549.25494	0.4
664.47400	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98804	1.8
65.03944	1.7
66.73871	1.7
69.03432	4.6
69.64697	2.3
69.65105	8.7
71.01376	100.0
72.99310	3.8
73.02941	88.3
74.03311	2.1
75.00869	2.4
76.49361	1.5
81.07095	2.9
83.01390	29.5
85.02950	25.3
86.00094	6.2
87.00858	6.1
89.02441	28.7
95.01383	5.0
97.02943	3.0
98.20653	2.1
99.00874	3.5
99.42693	1.5
101.02436	95.2
101.06062	2.6
102.02740	2.1
104.88013	1.5
105.22433	1.5
113.02448	44.9
119.03494	17.0
125.02449	3.8
131.03477	8.2
133.02969	2.8
135.04500	1.7
139.03938	3.4
139.11292	19.2
141.12848	3.0
143.03488	14.9
149.04549	23.4
151.03934	3.5
155.03473	3.8
159.06631	12.7
161.02461	4.1
161.04538	51.2
169.10878	2.5
169.12315	37.8
179.05589	3.4
191.05713	1.9
203.05592	45.6
203.07486	2.4
221.06659	13.6
239.15988	1.8
249.09785	1.9
249.99348	1.9
291.10818	15.9
295.08084	3.9
300.12653	1.8
313.16632	11.2
331.17477	6.4
355.17783	9.3
373.18668	54.4
374.18872	5.7
413.21854	3.7
653.23053	2.5
718.25659	1.8
875.35010	2.3
876.36005	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	875.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.5
69.03461	3.2
69.22505	2.9
69.22928	1.4
71.01379	79.6
72.01714	1.5
72.99313	3.2
73.02943	80.5
74.03268	0.8
75.00856	1.8
76.40577	0.5
81.03445	1.0
83.01385	25.8
84.01707	0.6
85.02948	21.4
86.00126	0.5
87.00881	2.8
87.65640	0.4
89.02439	25.2
90.02785	0.7
94.64208	0.4
95.01381	6.7
97.02950	2.0
97.94701	0.4
98.19938	1.0
99.00853	2.7
101.02438	100.0
102.02772	1.8
106.63313	0.5
111.00858	1.0
113.02444	50.7
114.02762	1.3
117.01974	0.6
119.03497	15.9
121.06569	2.3
125.02442	3.8
129.02008	0.5
131.03493	10.7
133.02928	0.6
135.04553	0.5
137.09720	21.2
138.10039	0.8
143.03490	15.0
144.03810	0.5
147.03006	0.6
148.04689	0.5
149.04550	25.8
149.09700	1.0
150.04839	0.6
155.03468	2.5
161.04544	45.7
162.04863	1.6
179.05646	2.3
187.11298	0.7
189.12831	5.6
191.05600	1.4
203.05623	5.8
207.13855	1.5
221.06635	18.8
222.06931	0.8
315.18091	10.3
316.18411	0.6
333.19171	15.9
334.19440	1.3
362.85175	0.5
369.19110	0.4
375.20187	37.5
376.20511	2.7
411.20203	8.7
412.20358	1.0
548.07428	0.4
582.63684	0.5
696.89459	0.5
908.27161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.391
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01800	2.4
61.98801	2.6
66.52712	2.0
69.03460	3.0
70.27245	7.5
71.01377	100.0
72.01721	3.7
72.99297	6.2
73.02943	62.8
83.01395	20.5
85.02952	23.2
87.00880	3.7
89.02443	44.3
93.03438	3.9
95.01377	6.4
97.02979	3.0
98.20592	2.4
99.00871	5.0
99.04542	2.7
100.11598	2.2
101.02439	68.6
101.06049	3.3
102.02761	2.8
113.02448	41.3
115.07633	4.0
119.03506	21.4
131.03517	8.3
143.03479	6.4
149.04633	11.1
149.05905	2.4
149.09688	22.8
150.09999	7.3
151.10431	2.3
153.05568	3.4
161.02507	3.5
161.04556	25.3
162.04968	2.7
166.53343	2.6
167.07169	3.0
175.58160	2.4
179.05609	16.9
185.09682	9.4
191.05576	3.7
203.05603	6.0
203.10768	4.3
217.12370	7.8
221.06659	7.7
261.11240	5.9
279.12280	6.2
313.16550	7.3
331.17694	11.7
371.16779	3.6
371.20816	5.6
373.18655	39.9
413.21533	13.0
441.17819	7.5
447.49661	2.9
459.18677	8.6
757.68903	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	875.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	4.5
69.03448	2.9
71.01376	100.0
72.99311	5.0
73.02941	50.0
83.01376	19.1
85.02950	31.4
87.00851	5.3
89.02439	52.2
89.63576	2.4
95.01380	10.1
97.02977	2.1
99.00861	5.8
101.02436	84.3
113.02452	46.9
119.03484	29.1
125.02421	2.9
130.46753	2.8
131.03468	6.7
132.40335	2.5
143.03481	10.4
149.04509	9.0
161.02432	4.6
161.04532	37.2
169.86760	2.2
179.05586	17.2
221.06627	9.9
313.00748	2.4
313.16571	26.6
331.17624	27.3
332.18341	2.6
347.17065	3.3
371.20663	9.6
373.18637	76.0
374.18939	9.1
375.20087	3.2
413.21820	45.3
414.21906	4.6
533.16290	2.6
582.78918	2.9
605.83331	2.6
762.04205	2.4
783.76019	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	877.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	2.2
68.65459	1.2
69.03449	4.2
70.89486	1.2
71.01376	100.0
72.01733	1.2
72.99311	2.3
73.02940	87.1
74.03252	1.5
75.00872	1.4
76.74877	1.0
81.03438	1.6
83.01381	27.0
85.02942	24.6
87.00890	3.4
89.02438	10.9
91.68846	1.4
95.01388	4.5
97.02939	2.9
99.00866	5.7
101.02435	80.9
102.02753	1.9
104.33423	1.0
109.06591	2.5
111.00822	1.5
112.49691	1.3
113.02446	33.5
119.03498	7.4
121.06588	1.1
125.02423	5.5
131.03505	5.6
137.09712	6.2
143.03505	9.9
149.04523	14.4
151.11288	1.3
155.03485	1.8
158.33478	1.1
159.02971	3.0
161.04544	34.6
173.15364	1.5
178.23399	1.4
189.12784	7.3
192.11572	12.0
203.05588	52.6
204.05930	2.0
207.13875	91.1
208.14268	5.7
221.06680	7.5
236.90601	1.1
317.19647	20.2
318.19965	1.3
335.20752	31.6
336.21097	2.5
377.21750	97.7
378.22098	7.3
393.78494	1.1
411.20282	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	877.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98853	1.2
65.11305	0.9
66.23946	0.8
69.03452	2.5
71.01376	71.9
71.05042	0.8
72.01703	1.1
72.99311	1.8
73.02941	44.4
75.49169	0.8
81.03445	1.6
83.01378	16.3
85.02946	18.5
89.02439	6.5
95.01389	3.0
97.02952	3.6
98.19862	2.4
99.00872	5.8
101.02433	52.5
101.35564	1.0
109.06574	2.9
111.00851	1.6
113.02444	20.4
119.03490	2.9
123.08122	1.2
125.02424	3.9
131.03479	3.3
133.06607	1.1
137.09723	6.1
143.03519	5.7
149.04550	6.1
149.09729	1.6
155.03543	1.4
159.02963	1.3
161.04547	18.6
173.15558	1.5
189.12863	4.2
192.11542	13.7
203.05602	47.3
204.05951	1.2
207.13879	100.0
208.14204	5.3
221.06644	4.6
299.71109	1.0
317.19669	14.0
335.20749	21.4
336.21024	1.1
351.18039	1.6
377.21774	68.2
378.22052	6.8
411.20322	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	877.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	2.2
69.03465	4.2
70.36120	1.5
71.01015	0.8
71.01377	11.9
71.05022	0.6
72.99308	1.2
73.02944	2.3
78.37705	0.4
82.61698	0.6
83.01377	1.4
83.05039	0.6
85.02943	2.9
87.00855	2.0
89.01941	0.7
89.02444	8.9
95.01398	1.0
97.02932	1.9
97.06576	1.0
99.00857	1.0
101.02443	7.7
111.04515	0.6
113.02441	3.2
118.92655	0.6
119.03473	1.8
120.09377	0.5
121.02917	0.4
123.08128	1.2
125.02408	1.8
125.09688	2.1
136.89168	0.5
143.03487	0.9
151.11256	2.4
161.04521	0.9
161.09683	3.0
171.92018	0.5
179.05556	0.6
179.10756	5.1
194.91824	0.5
197.11816	31.9
198.12151	1.7
221.06628	1.5
223.09813	1.1
235.08160	0.8
241.10785	1.7
253.09395	0.5
255.23277	45.9
256.23682	2.7
293.21158	1.1
384.51370	0.6
397.13544	1.8
877.47943	100.0
878.48309	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	879.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
65.45462	1.7
69.31657	15.5
70.36521	1.7
71.01379	71.1
72.99309	2.1
73.02942	25.4
80.74431	1.7
83.01397	10.6
85.02943	30.5
87.00877	2.0
89.02435	32.9
93.03463	2.9
95.01383	7.2
99.00871	7.2
101.02436	45.7
108.02168	61.6
113.02448	32.2
117.03456	27.7
119.03515	13.4
119.05013	20.3
121.02913	2.4
125.02457	2.4
131.03455	2.4
133.02954	2.1
133.06581	3.9
135.04520	6.4
136.13939	2.1
143.03476	4.0
145.02948	100.0
146.03299	3.1
149.04523	2.1
161.02406	4.4
161.04538	20.5
161.06049	12.5
163.03998	28.0
175.73613	1.9
177.05545	4.9
179.05585	9.8
205.05063	16.9
235.06091	7.6
265.07111	16.6
278.76443	2.1
313.16541	5.5
331.17590	34.2
373.18658	73.4
374.18875	6.8
429.21426	2.1
461.14517	79.9
462.14853	6.7
465.17801	1.7
488.04044	2.0
528.37610	1.9
622.41504	1.9
646.22577	2.1
688.35840	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	879.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	6.3
69.03460	2.8
69.75171	5.8
69.75591	3.1
71.01377	78.8
72.99301	4.2
73.02941	76.7
74.03246	1.5
75.00879	2.1
78.08040	1.3
83.01379	26.5
85.02941	28.5
86.00084	2.0
87.00854	3.8
89.02439	15.4
95.01389	5.0
97.02983	2.8
99.00887	5.2
101.02435	90.8
102.02770	1.5
111.00866	1.7
113.02441	39.6
119.03516	8.9
125.02448	3.9
131.03490	6.4
133.02884	1.9
135.04498	1.9
143.03505	6.5
149.04527	14.4
151.03937	1.3
155.03503	3.4
159.02977	3.1
161.02408	5.7
161.04538	32.4
203.05556	4.3
221.06613	7.1
239.05089	1.2
317.19659	20.5
318.19925	2.7
335.20724	39.9
336.21030	3.8
377.21777	100.0
378.21997	9.1
413.21790	3.5
516.15808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23158	5.3
69.23578	10.1
71.01378	56.9
72.99311	2.9
73.02945	23.3
83.01378	9.4
85.02949	27.1
87.00887	3.2
89.02446	20.8
95.01371	4.0
99.00876	8.1
101.02432	48.9
101.03107	2.4
113.02444	31.4
119.03494	6.4
142.72614	1.6
143.03482	3.0
149.04510	3.9
158.09720	1.8
161.04544	19.8
171.14046	1.7
179.05620	2.1
208.04944	1.8
236.58292	1.8
253.20729	1.6
315.18082	14.5
333.19116	30.9
355.21249	2.4
373.22263	25.5
375.20200	100.0
376.20682	9.6
387.51932	1.8
415.23318	37.1
416.23596	3.2
419.19022	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	879.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.0
63.18288	0.6
69.03432	1.4
69.77014	0.6
70.52233	2.3
71.01377	13.9
71.05010	2.0
71.18394	0.7
72.99303	1.1
73.02929	2.9
81.03450	1.0
83.01360	1.5
85.02931	2.4
85.39508	0.7
87.00847	2.8
89.02439	9.6
93.03464	0.8
97.02940	4.7
97.06562	1.9
99.00873	9.7
101.02434	10.5
109.02914	0.8
109.06573	1.9
111.43774	0.8
113.02427	4.4
119.03519	2.0
119.67325	0.8
125.02424	3.3
125.09701	4.6
127.03009	0.7
143.03473	0.9
161.04607	0.8
163.11307	5.2
171.10289	4.8
179.05508	1.1
181.12306	8.9
197.11867	1.7
199.13380	6.0
201.11371	0.9
207.10226	22.7
207.12209	1.3
208.10559	1.2
221.06708	1.7
225.11290	29.7
226.11563	1.3
235.08133	2.2
243.12352	7.0
255.23262	46.9
256.23679	3.5
291.19547	2.5
309.20901	0.9
379.12280	1.5
397.13516	6.5
415.14539	2.1
495.00299	0.9
600.66852	0.9
605.24585	2.5
623.25629	2.1
653.38208	0.9
861.48517	13.0
862.48376	2.5
879.49518	100.0
880.49786	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	881.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	6.0
68.99812	0.7
71.01362	2.6
71.53321	1.0
71.74530	0.5
73.02945	0.9
83.01370	1.0
85.02926	1.4
96.95988	2.9
101.02435	2.2
113.02419	1.7
115.18773	0.5
133.02936	1.3
135.04518	0.9
139.62949	0.5
161.02437	1.6
161.04526	0.8
179.03384	0.6
211.13341	0.8
416.23898	0.6
460.29663	0.6
464.63663	0.6
468.67929	0.5
471.34286	3.1
617.40485	0.7
633.40009	100.0
634.40302	16.5
674.01685	0.6
675.41010	9.1
676.41309	1.8
694.36139	0.6
717.42694	0.7
761.00482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	3.3
67.69016	0.3
68.11781	0.3
68.99792	0.8
71.01379	2.3
71.51826	0.4
71.52190	0.5
73.02930	1.0
83.01353	0.9
85.02946	1.2
96.96011	2.1
101.02421	2.7
113.02425	1.4
114.31301	0.3
116.92831	0.4
161.02393	0.7
384.07758	0.3
405.17136	0.4
445.25998	0.9
471.34680	0.5
617.40521	100.0
618.40851	14.9
618.50970	0.6
631.41870	0.7
634.51660	0.4
659.41821	1.7
701.42340	0.7
881.49261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.36
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.7
65.25616	0.6
69.03447	0.6
69.70911	0.7
69.71227	3.7
71.01378	27.0
72.63589	0.6
72.99295	1.0
73.02938	10.8
74.02688	0.6
77.05595	0.7
83.01378	3.1
85.02944	8.2
87.00861	1.7
89.02438	22.2
95.01399	2.1
96.95989	0.7
97.02958	0.6
98.20629	1.4
99.00851	1.8
101.02435	18.6
101.03105	1.0
113.02444	15.0
113.03170	1.2
115.30212	0.7
117.03464	22.6
118.03813	0.9
119.03519	9.2
119.05003	9.6
125.02542	0.7
131.03508	1.9
131.75780	0.7
133.02959	1.5
135.04628	1.4
137.02443	3.4
138.02782	1.3
141.05446	0.7
143.03482	3.4
145.02943	96.2
146.03264	4.2
149.04547	1.9
152.04781	3.2
161.02426	2.6
161.04538	8.7
163.03999	13.6
167.07135	3.8
168.07458	1.5
179.05627	5.9
185.11792	0.8
194.01878	0.6
221.06609	1.0
277.47897	0.8
303.32672	0.7
313.16553	7.5
331.17581	11.1
373.18652	36.3
374.19119	4.1
426.34778	0.6
465.17593	100.0
466.17957	13.8
467.18243	1.4
623.19275	0.8
641.79126	0.8
700.77991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24850	0.9
69.03454	1.8
70.26424	4.3
71.01375	37.4
72.99310	1.3
73.02945	18.0
83.01374	5.4
84.84785	1.1
85.02932	15.5
87.00849	2.0
89.02441	20.3
95.01370	3.5
99.00857	4.9
101.01804	2.0
101.02435	26.0
102.02771	1.7
113.02443	20.4
117.03461	19.1
119.03494	7.2
119.05023	7.3
125.02455	2.4
133.02933	4.0
134.03738	2.7
135.04495	3.7
143.03481	3.4
144.03979	1.2
145.02943	85.9
146.03300	4.8
149.04517	1.7
160.01645	2.0
161.02441	19.6
161.04506	14.1
163.02731	1.9
163.03984	14.3
175.03990	3.8
179.03476	3.4
179.05560	8.9
193.05009	1.5
226.61366	1.2
235.06061	1.5
265.34174	1.2
313.16785	2.7
313.54730	1.2
331.17578	18.4
332.17953	1.9
369.25864	1.2
373.13913	2.4
373.18625	45.3
374.18951	4.3
465.17581	100.0
466.18045	11.0
477.13885	2.4
491.15265	3.6
599.14825	1.3
621.17889	1.3
623.18884	2.4
734.82391	1.5
735.68256	1.5
883.33948	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	883.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	6.6
67.52885	0.3
68.99806	0.7
69.03448	2.2
71.01380	27.1
71.05033	0.4
72.99312	2.7
73.02937	4.3
75.00869	0.7
80.02670	1.5
81.03453	3.8
83.01381	3.0
83.05013	2.8
84.02179	0.7
85.02939	5.9
87.00865	5.5
89.02441	20.7
90.02780	0.4
93.03458	0.5
95.01383	2.6
95.05013	1.5
97.02943	13.1
97.06586	0.6
98.03275	0.5
99.00880	3.7
101.02432	17.5
106.04256	0.6
107.05003	1.3
109.02936	0.7
109.06584	30.4
110.03738	1.2
110.06959	0.7
111.00871	0.6
111.04517	1.5
113.02440	10.4
116.54638	0.3
119.03487	6.1
121.06592	1.5
123.00945	0.5
123.04533	0.9
123.08147	0.6
124.01638	0.4
125.02437	7.6
125.06059	0.5
125.09707	0.8
129.01935	0.6
131.03503	0.9
133.05067	0.5
135.04520	0.5
135.08174	4.9
136.05310	3.0
139.03973	0.9
141.01944	1.1
142.02733	2.9
143.03481	3.0
145.05049	0.5
149.04492	0.7
161.04564	4.3
161.09688	1.4
163.11279	18.7
164.11618	0.7
179.05589	4.8
179.10759	1.1
181.12332	4.8
189.09160	2.4
199.06189	0.7
201.11336	2.6
202.11763	0.5
207.10242	100.0
208.10587	3.8
209.11783	4.2
210.12212	1.6
217.07166	0.7
221.06628	2.4
225.11301	37.1
226.11568	2.0
233.22569	0.5
235.08203	6.6
243.12418	1.3
253.09273	1.7
255.23315	1.6
256.23633	1.4
277.21695	73.6
278.22031	5.6
281.13855	0.8
287.07675	2.0
299.14975	1.2
305.08578	2.4
323.09775	1.3
379.12488	7.0
380.12994	0.9
397.13461	54.3
398.13837	4.9
399.13898	0.9
415.14511	12.6
415.19867	0.8
416.15002	0.8
443.19098	0.6
587.23407	1.8
605.24377	5.0
606.25067	0.8
623.25635	4.6
675.35962	2.2
865.45410	1.8
866.47479	0.6
883.46875	59.5
884.47260	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	883.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	10.5
64.03115	0.3
68.99812	0.4
69.03465	1.8
69.03802	0.3
71.01377	22.3
71.33499	0.5
71.77993	0.3
72.01732	0.3
72.99309	1.9
73.02940	3.1
75.00875	0.7
80.02661	0.9
81.03448	3.4
83.01366	2.6
83.05025	3.1
84.02169	0.5
85.02941	6.1
87.00867	5.4
89.02439	17.8
91.03960	0.3
93.03446	0.9
95.01378	2.2
95.05002	0.6
97.02946	10.8
97.06576	0.7
99.00871	3.8
99.04518	0.4
101.02438	15.8
106.04211	0.7
107.05019	0.9
107.60557	0.3
108.33331	0.4
109.02998	0.5
109.06586	31.5
110.03712	1.7
110.06908	1.0
111.00877	1.0
111.04497	1.0
113.02444	10.2
114.02798	0.4
119.03493	4.2
121.02927	0.6
121.06580	2.4
123.04524	1.0
123.08147	0.4
124.01647	0.5
125.02443	7.6
125.09692	0.8
129.01987	0.4
131.03484	1.0
133.05031	0.4
133.06578	0.4
135.08171	4.5
136.05302	2.1
139.04034	0.7
141.01947	1.1
142.02672	2.5
143.03488	3.1
145.10220	1.0
149.04579	0.8
151.07674	0.4
161.04543	4.0
161.09714	1.5
163.11276	20.1
164.11610	0.8
167.03468	0.4
179.05602	5.5
179.10669	0.8
181.12328	5.3
189.09206	2.2
201.11359	1.9
202.11678	0.6
207.10240	100.0
208.10593	4.3
209.11800	5.3
210.12134	1.3
217.07103	0.9
219.05191	0.4
221.06635	2.9
225.11301	45.3
226.11636	2.2
227.12943	0.4
235.08182	5.4
243.12390	2.0
245.06587	0.5
249.11343	0.4
253.09186	1.0
255.23312	1.9
256.23694	1.1
259.20761	0.5
263.07767	0.5
277.21686	53.5
278.22037	3.7
281.13943	1.0
287.07782	1.6
291.23083	0.4
294.21747	0.4
299.15054	1.9
305.08759	1.8
323.09738	1.4
357.70047	0.3
379.12430	7.1
380.12717	0.6
397.13467	39.4
398.13751	3.7
399.13968	0.6
415.14560	13.5
416.14969	0.7
441.33804	1.2
443.18961	0.4
461.20230	0.5
485.32849	0.4
509.20694	0.3
587.23395	2.0
588.23157	0.4
605.24414	7.8
606.24896	0.8
623.25562	9.1
624.26184	1.1
675.35864	0.9
865.46320	2.1
866.46838	0.6
883.46893	55.4
884.47040	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	885.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98801	0.4
65.03960	0.2
68.99825	0.3
69.03456	1.2
71.01376	16.5
71.05024	0.3
72.01716	0.3
72.99313	1.4
73.02940	2.4
74.15383	0.1
75.00893	0.2
80.02664	1.1
81.03447	2.0
83.01387	1.7
83.05023	5.4
84.01718	0.1
84.02156	0.8
85.02950	3.9
87.00871	3.7
89.02441	12.7
91.03988	0.2
93.03448	0.2
95.01386	1.1
95.05016	0.7
97.02946	2.7
99.00891	1.0
99.04493	0.3
101.02439	11.6
103.00356	0.2
109.02944	0.3
109.06583	0.2
111.00856	0.3
111.04514	0.4
113.02448	6.8
114.02724	0.2
115.04010	0.4
119.03497	3.3
123.00919	0.2
125.02441	5.6
125.06078	0.6
127.03973	0.2
131.03496	0.7
133.05083	0.5
135.08134	0.7
137.02441	0.2
139.04007	0.3
139.07660	0.2
141.01987	0.2
143.03493	2.1
145.05035	0.2
149.04546	0.4
153.05536	0.2
161.04550	3.2
163.11281	3.7
164.11559	0.3
165.12823	2.6
169.05032	0.2
179.03363	0.2
179.05589	3.5
181.12366	0.7
185.04614	0.2
191.10742	1.0
199.06128	0.6
203.05653	0.2
209.11806	100.0
210.12148	5.0
217.07166	0.8
219.05095	0.2
221.06694	1.2
227.12862	12.1
228.13176	0.6
233.11797	0.2
233.22775	0.2
235.08203	4.7
245.06691	0.3
251.12804	0.4
253.09282	0.9
259.08163	0.4
259.20490	0.2
263.07626	0.4
275.20172	0.2
277.21689	50.8
278.22028	3.9
287.07700	1.7
291.23334	0.4
305.08734	1.9
319.22733	0.2
323.09726	1.2
361.11536	0.2
379.12408	7.5
380.12610	0.5
397.13467	37.2
398.13745	2.4
415.14545	8.6
416.14838	0.6
466.60931	0.2
565.30151	0.2
589.24811	0.4
607.26398	0.9
657.35315	0.2
675.35840	0.8
913.19202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.5
62.66416	0.1
68.99809	0.2
69.03447	0.8
69.98326	0.4
69.98731	0.3
71.01376	13.1
72.99301	1.2
73.02953	1.8
75.00877	0.4
80.02684	1.2
81.03455	2.4
83.01387	1.4
83.05019	5.3
84.02164	0.8
85.02946	3.0
87.00869	3.6
89.02441	10.2
91.03993	0.4
93.03421	0.2
95.01388	1.1
95.05046	0.9
97.02951	2.2
97.06578	0.2
98.20619	0.2
99.00892	0.8
99.04565	0.2
101.02438	9.5
102.02721	0.3
109.02939	0.3
109.06577	0.3
111.00844	0.2
111.04510	0.3
111.08144	0.3
113.02446	5.8
119.03499	2.6
121.02869	0.2
123.00903	0.2
124.01608	0.2
125.01528	0.3
125.02441	5.4
125.06058	0.5
127.03978	0.2
129.01921	0.2
131.03484	0.5
133.05064	0.3
135.08151	0.6
139.03935	0.4
139.07635	0.2
141.01938	0.3
142.02649	0.1
143.03494	2.0
147.11787	0.3
149.02419	0.2
149.04512	0.4
151.04039	0.2
155.03458	0.2
161.04547	2.6
163.11284	4.0
164.11674	0.2
165.12848	2.6
166.13232	0.2
167.03427	0.3
173.09651	0.2
179.05576	3.6
181.05107	0.2
181.12312	0.6
185.04471	0.2
189.04160	0.2
189.12767	0.2
191.10687	0.9
199.06093	0.5
207.10196	0.2
209.11807	100.0
210.12151	4.8
217.07089	0.6
219.04813	0.2
221.06667	1.5
223.13293	0.2
227.12863	10.2
228.13223	0.5
233.22917	0.2
235.08206	4.3
236.08498	0.2
245.06537	0.2
251.12750	0.6
253.09180	0.9
259.08124	0.4
263.07635	0.3
269.13852	0.2
277.21695	41.3
278.22037	3.0
287.07684	1.4
291.23325	0.3
301.09448	0.2
305.08731	1.6
323.09802	1.0
361.11438	0.3
379.12454	6.0
380.12769	0.5
397.13480	28.1
398.13763	1.9
415.14511	6.7
416.14691	0.6
497.19675	0.2
540.59729	0.2
589.24670	0.8
607.25720	1.2
613.34442	0.2
675.36041	0.4
885.48279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	6.0
62.73867	1.2
64.04559	1.1
69.03453	1.6
69.28294	7.6
69.28701	2.5
71.01376	16.0
73.02930	2.5
80.21435	1.2
83.01389	10.4
85.02933	5.3
87.00841	2.0
89.02435	4.9
93.03445	8.0
96.96035	2.0
96.96887	1.2
97.02908	1.3
98.19965	3.2
101.02434	7.4
101.47771	1.3
108.02141	5.0
109.02918	2.3
111.42462	1.5
113.02417	3.8
113.51890	1.1
117.03437	1.5
119.05006	2.6
121.02946	74.2
122.03781	3.0
123.00925	1.4
123.04510	4.1
125.02406	1.5
132.30466	1.1
133.02971	3.0
134.03694	1.5
135.04543	10.5
136.01630	6.7
136.05272	3.3
137.02406	2.5
139.04068	1.4
145.02917	5.4
146.03708	2.0
147.04546	7.5
148.05261	3.6
150.06818	2.1
151.04008	7.8
158.03700	1.6
159.02974	1.2
159.04495	5.4
161.02419	8.9
161.04568	1.7
161.06013	2.8
162.03113	3.1
162.06720	1.3
163.04001	3.2
163.06339	1.3
163.07639	18.7
168.04228	1.7
173.02429	6.3
174.03214	20.2
174.76865	1.1
175.03992	1.9
176.04813	1.9
177.05515	3.5
179.03409	3.4
186.03273	1.6
187.03964	2.4
188.04703	2.8
189.05505	2.7
191.03471	2.6
191.07138	2.0
193.04999	2.9
196.05234	1.9
197.06310	1.3
201.01959	1.3
202.02632	4.8
204.05725	1.8
205.06619	1.9
206.02069	2.6
207.08177	2.0
209.11731	1.5
211.07622	1.3
214.02739	3.2
214.92085	1.2
215.03398	3.5
217.04947	3.7
220.03462	1.5
221.06056	3.5
222.06839	2.1
223.07561	5.1
224.04752	1.4
229.04974	4.3
233.06055	6.4
234.06871	2.5
235.07622	4.3
237.05467	5.6
238.06531	1.5
239.07047	3.2
245.05843	1.6
247.03712	1.3
248.04724	3.8
249.05557	12.2
250.06250	5.5
251.07089	17.0
252.07811	2.0
253.05095	1.4
260.04611	1.9
261.05493	4.7
262.06268	6.7
263.07077	11.1
264.07965	7.2
265.04999	9.3
265.08618	4.9
266.05618	3.1
267.06589	17.5
268.07108	1.6
276.07541	1.4
277.05014	12.5
277.08438	2.6
278.05615	3.7
279.06631	31.7
279.10114	4.3
280.07172	4.1
281.08090	2.5
282.08972	10.9
283.09714	1.9
289.05048	5.7
290.05786	1.8
291.06604	3.0
292.07474	6.0
293.04492	10.5
293.08151	5.6
294.05261	7.5
294.08923	18.0
295.05972	8.9
295.09244	2.4
296.06958	1.4
296.10287	1.4
297.11496	6.1
303.06451	1.5
304.07275	4.8
305.04468	13.9
305.08078	3.7
306.04993	2.2
307.06067	5.2
308.06897	18.4
309.07568	12.2
309.11072	2.3
310.08377	2.5
320.06894	13.0
321.07581	3.9
322.08463	10.2
323.05499	19.9
323.09183	25.4
324.09653	2.7
326.07941	6.9
335.09192	11.9
336.09912	2.1
337.07150	4.1
338.07870	22.7
339.08554	3.0
339.12125	2.0
341.10275	23.7
353.10266	100.0
354.10562	8.6
356.12610	88.3
357.13156	11.8
365.10040	2.1
367.07874	2.3
371.14960	56.1
372.15216	4.3
382.10602	4.2
383.11325	11.4
393.09229	2.1
393.13663	2.3
394.10419	2.0
395.11322	51.7
395.16565	2.5
396.11426	2.5
407.11310	2.9
409.12759	3.2
419.11176	1.4
425.12436	13.4
437.12338	53.2
437.18317	2.8
438.12476	5.0
465.11713	3.0
467.09464	2.7
482.12048	3.2
483.12378	1.5
485.14444	52.4
486.14703	7.5
497.14529	72.0
498.14676	9.2
515.15338	2.6
545.33368	2.0
621.39777	5.9
639.40735	8.9
681.42023	10.0
682.43317	1.6
725.25800	8.5
783.44971	2.2
857.30060	23.0
858.30255	4.3
869.30139	51.8
870.30402	11.2
887.31183	44.3
887.44720	1.1
888.31866	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	887.391
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	4.2
67.01875	0.7
67.29485	0.8
69.03454	1.0
71.01378	80.8
72.01709	1.3
72.99294	6.7
73.02933	3.7
75.00880	0.7
79.05512	4.1
81.03432	3.6
83.01372	4.6
85.02946	15.7
87.00852	5.8
88.98811	0.9
89.02439	100.0
90.02781	1.0
90.82869	0.7
93.07098	2.4
95.01387	4.2
95.05025	3.8
99.04516	16.6
101.02435	46.3
102.02776	0.9
106.04243	2.0
107.03475	0.8
107.05021	6.7
113.02443	36.2
113.06093	5.3
114.02736	0.7
114.74086	0.8
119.03491	45.4
120.03848	1.1
120.05789	1.0
125.02445	1.4
131.03502	6.7
133.02946	0.9
133.06529	0.9
135.04509	1.3
139.03940	0.8
139.07646	5.9
143.03496	14.0
143.28188	0.7
145.10228	1.4
149.04521	4.9
157.06596	1.9
157.10190	0.7
159.11798	4.4
161.02443	2.8
161.04544	15.3
161.09691	1.6
169.10126	1.7
171.08119	1.1
172.08908	2.8
179.05597	62.8
180.05939	1.8
185.09703	2.3
187.11263	61.6
188.11623	3.3
191.05496	0.7
207.70660	0.7
219.13867	20.7
219.15863	1.5
220.40984	0.8
229.03473	0.8
231.10207	6.4
249.11148	1.9
263.12839	86.7
264.13205	6.2
278.75848	0.9
304.22852	0.8
329.16116	2.0
330.16492	0.8
335.43219	0.7
347.17032	7.5
348.17422	1.8
349.17523	0.9
357.13266	1.5
397.12820	0.7
411.16385	2.2
443.19159	68.3
444.19626	6.8
491.21240	2.3
527.26794	0.9
707.33173	2.1
887.38446	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	887.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	8.5
70.69853	0.8
70.70195	1.2
71.01379	84.9
72.01720	1.3
72.99304	8.0
73.02969	4.3
79.05519	4.0
81.03451	7.2
83.00903	0.6
83.01376	3.0
85.02953	14.7
87.00869	4.6
88.98787	1.8
89.02442	100.0
90.02766	1.1
93.03441	0.8
93.07142	1.2
95.01385	5.2
95.05023	6.9
99.00880	1.0
99.04512	10.7
101.02438	46.2
106.04248	2.1
107.05021	9.5
113.01637	1.2
113.02445	35.3
113.06090	6.9
119.03495	45.2
120.03826	1.1
125.02431	1.6
131.03491	7.6
133.02983	1.9
135.04512	2.9
139.07668	4.8
143.02429	1.1
143.03493	14.1
143.08693	0.8
145.06570	1.1
149.04530	4.8
157.06560	1.6
159.11777	3.2
161.02519	4.7
161.04547	16.1
161.09763	1.9
169.10205	3.5
171.08179	1.7
172.08913	3.0
179.05600	59.1
180.05928	1.6
182.27069	0.8
185.09727	1.9
187.11270	57.1
188.11566	2.9
191.05586	1.1
219.13893	15.4
228.56160	0.7
231.10237	6.5
249.11279	4.3
263.12857	67.9
264.13168	3.6
397.69724	0.7
411.16397	1.4
443.19162	61.7
444.19583	5.0
527.26862	1.0
754.20679	0.8
887.38361	2.0
888.38806	1.0
898.84686	0.8
922.80652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	8.3
63.87724	0.9
69.03447	4.0
69.34938	2.3
69.35341	6.9
71.01377	100.0
72.99299	8.0
73.02940	69.0
81.07092	1.7
83.01379	24.3
85.02938	18.4
87.00871	5.1
89.02438	64.8
95.01386	7.2
96.96061	1.2
98.19889	2.2
99.00890	1.7
99.04517	6.9
101.02434	90.4
102.02754	2.4
106.53946	0.9
113.02444	50.0
119.03490	31.1
122.39553	1.1
123.04495	2.9
125.02430	4.9
131.03497	10.4
133.02879	1.3
136.01677	1.5
143.03488	14.2
145.02907	1.4
149.04549	16.5
150.06769	1.5
151.03967	2.4
155.03473	2.4
161.02406	3.9
161.04536	35.8
161.13342	17.7
170.18321	1.1
179.05598	29.3
181.08699	1.3
185.11665	1.1
187.11287	3.0
194.53970	1.1
203.05548	3.4
205.12297	46.1
206.12671	1.5
221.06670	11.6
249.11281	80.9
250.11694	4.3
291.29034	1.2
370.10709	1.1
385.18616	9.0
389.18060	1.1
415.23346	4.9
429.17615	98.4
430.17914	10.7
459.12408	1.7
667.39630	2.5
695.08008	1.2
757.39063	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.7
69.79843	0.8
71.01375	14.4
71.06132	1.8
72.99283	1.1
73.02940	3.4
81.03466	1.0
83.01380	1.7
83.58530	0.8
85.02946	4.3
87.00874	3.8
89.02438	13.3
95.01409	1.8
97.02946	3.3
99.00876	1.0
101.02436	12.6
113.02451	8.8
116.92867	1.3
119.03493	4.0
125.02432	6.6
125.09695	1.1
127.11263	1.8
129.98312	0.9
143.03519	2.0
161.04547	3.4
169.05107	1.1
171.10255	100.0
172.10602	2.5
179.05579	3.9
199.06058	0.9
209.11824	2.7
221.06509	1.0
235.08098	6.5
259.08023	1.0
277.21701	70.5
278.22025	5.5
287.07709	2.5
305.08789	2.4
323.09845	1.5
379.12421	16.9
380.12860	1.4
397.13477	41.9
398.13992	2.9
415.14493	9.1
551.23535	4.3
569.24292	3.0
596.86011	1.0
657.34930	2.8
675.35901	3.3
825.29260	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.7
70.06887	3.8
71.01376	15.4
72.99285	1.4
73.02953	3.2
83.01395	1.6
85.02943	4.1
87.00855	5.7
89.02437	11.4
97.02946	2.3
101.02438	14.1
113.02455	4.7
116.92863	1.4
119.03513	3.3
125.02445	7.8
125.09753	1.1
127.11274	2.1
143.03423	2.1
161.04565	4.6
171.10249	100.0
172.10631	2.5
179.05580	3.6
209.11812	3.3
217.07147	1.1
221.73759	0.9
235.08209	4.6
238.82988	0.8
259.08231	1.2
277.21686	59.5
278.22083	4.8
280.23697	0.9
287.07617	2.2
305.08731	2.0
323.09793	1.0
361.11185	1.0
379.12369	19.8
397.13431	40.9
398.13885	2.5
415.14453	8.3
416.14764	1.0
444.07053	0.9
537.66223	0.8
551.23810	5.0
569.24585	6.7
657.34619	1.7
675.35620	3.3
689.84961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64323	1.1
71.01379	43.4
73.02943	17.9
80.27856	1.3
83.01392	5.3
85.02949	20.2
87.00894	1.8
89.02434	12.3
95.01377	2.7
99.00871	5.9
99.04546	2.5
101.02441	32.9
108.02105	1.9
113.02444	19.9
119.03509	5.0
124.41936	1.1
125.02443	2.4
135.04503	1.9
137.09718	3.4
143.03526	3.2
145.02946	3.9
152.07104	1.9
159.03020	2.8
161.02394	4.4
161.04552	13.0
165.09186	1.3
176.08409	4.0
179.03525	1.3
179.05646	1.9
179.10736	1.5
189.12743	2.2
191.05585	1.7
207.13939	3.2
225.15019	7.1
273.12506	2.0
329.62720	1.4
331.17639	4.4
369.19174	31.1
370.19348	2.9
373.18579	16.2
387.20190	36.1
388.20618	2.0
429.21240	100.0
430.21545	9.0
465.17499	1.6
473.15707	2.8
549.22668	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	891.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
67.06598	0.6
69.03449	0.6
71.01376	80.3
72.01679	0.9
72.99293	7.3
73.02948	3.7
75.44025	0.6
79.05521	4.0
81.03454	8.5
83.01391	3.4
85.02943	16.6
85.67422	0.5
87.00883	5.0
89.02436	100.0
90.02772	1.4
90.38148	0.7
93.03466	0.8
93.07069	1.3
95.01388	5.5
95.05024	6.3
97.02949	0.9
99.04509	9.2
101.02436	45.4
102.02795	0.8
105.07116	1.2
106.04234	1.6
107.03494	0.8
107.05020	7.5
113.02443	34.5
113.06074	7.0
119.03495	45.3
125.02462	0.8
131.03482	6.9
131.08737	0.7
133.06580	0.7
135.04454	1.1
136.01648	0.9
139.07657	5.0
143.02428	1.1
143.03503	15.0
143.08638	1.2
145.06586	1.1
145.10249	1.2
149.04565	5.7
149.05644	0.9
151.03946	0.7
157.06557	1.7
157.10139	0.7
159.08115	0.6
159.11804	3.8
161.02483	1.2
161.04550	16.1
161.09679	2.0
169.10229	2.6
171.08105	1.0
172.08931	1.3
179.05594	60.4
180.05939	1.8
185.09734	1.7
187.11269	61.6
188.11601	3.7
201.32756	0.6
219.13882	15.9
220.14226	1.1
229.61765	0.7
231.10245	7.8
249.11287	2.9
263.12851	71.9
264.13171	4.6
406.11804	0.7
411.16879	1.5
443.19156	73.7
444.19476	6.1
509.11032	0.7
526.11438	0.7
658.69672	0.7
729.25476	3.3
730.25311	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40299	0.3
69.03449	10.7
69.67514	2.0
71.01376	3.8
73.02944	0.7
75.55206	0.4
79.01887	4.0
79.20937	0.4
81.03447	0.4
82.90824	0.3
83.01393	1.5
85.02946	2.4
87.00869	0.7
89.02444	0.8
93.03485	0.4
95.01370	2.3
97.02943	5.4
97.90583	0.4
98.19873	0.4
98.60329	0.4
101.02438	1.7
105.01987	0.5
107.01376	10.6
108.02166	21.7
113.02459	1.6
121.02962	0.7
123.00896	3.2
125.02444	10.3
126.46273	0.4
133.02988	0.9
134.03758	0.7
135.00877	38.7
135.04533	1.5
136.01567	1.4
151.00342	1.4
151.03986	1.8
152.01138	64.2
153.01443	2.1
159.02962	0.6
161.02428	1.8
161.04492	0.8
179.03545	0.8
187.13393	1.6
191.05576	1.0
199.13631	0.4
209.11729	0.8
218.02129	0.4
225.11194	0.5
242.05835	1.2
243.06587	100.0
244.06950	5.5
263.11234	0.4
285.07681	1.2
315.18198	0.9
330.95688	0.4
331.14072	0.4
331.17334	2.1
349.18652	3.3
357.13437	1.5
387.10736	2.3
390.77850	0.4
391.19586	4.5
447.13071	2.2
457.20834	0.5
893.34912	1.8
894.36169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54934	0.7
71.01379	12.9
71.52386	1.3
72.99304	1.2
73.02934	1.9
83.01370	1.8
85.02946	2.4
87.00880	1.2
89.02447	4.3
93.03465	6.7
95.01424	1.2
96.96009	1.8
101.02428	8.1
102.21463	0.8
107.05023	4.2
108.02168	32.0
109.03019	1.1
111.00883	1.4
113.02440	5.5
119.03522	2.1
119.05027	1.8
121.02945	6.5
122.03732	15.6
122.34686	0.9
123.04514	2.8
124.01716	0.9
131.03487	0.8
132.02182	1.5
133.02943	3.0
133.06569	1.2
134.03755	8.5
135.04521	17.4
136.01637	1.6
136.04913	0.8
137.02428	1.6
139.04016	1.6
145.02963	1.5
146.03804	1.5
147.04515	4.0
148.05280	5.0
149.02428	28.6
149.05997	1.7
150.03214	100.0
151.03735	4.3
153.05586	3.2
159.04536	1.6
161.02438	5.7
161.04617	1.3
161.06042	1.5
162.06749	0.9
163.04033	2.1
163.07671	2.3
164.04764	5.9
165.05553	80.4
166.05882	2.1
166.14622	0.9
173.02405	5.5
174.03186	3.3
175.03973	1.9
176.04668	1.1
179.03488	3.0
179.07104	1.6
180.04247	7.3
188.04665	1.8
189.05519	1.8
190.06360	2.1
191.03453	3.3
191.05476	1.1
193.04979	1.4
193.08664	1.6
195.06612	27.5
195.08357	1.8
196.06998	1.6
201.01949	1.9
202.02736	1.1
203.03442	1.1
205.05011	2.0
205.12451	1.1
206.05901	0.9
207.06563	1.0
214.02702	1.5
217.05069	2.5
220.03522	1.0
221.06084	1.0
226.06340	1.1
229.02805	0.9
235.06036	2.0
237.05569	1.9
247.03984	1.4
249.05499	1.5
249.07784	1.7
250.06239	1.4
251.07153	2.9
252.04262	1.3
254.05705	1.2
256.07285	0.9
262.06369	1.0
263.03476	2.0
265.04974	3.0
266.05807	1.4
267.03168	1.1
267.06537	2.6
269.07999	1.1
277.04767	1.0
277.07394	1.5
278.06158	1.1
279.06558	3.3
281.04538	1.0
281.08090	1.6
282.05283	2.9
283.06177	1.1
292.07330	0.9
293.04523	1.1
293.08167	2.4
294.05252	1.5
294.08859	1.3
295.06094	2.5
295.09720	3.2
296.07016	0.9
297.07175	4.2
298.08340	1.5
305.04355	1.2
307.06134	1.9
307.09641	1.1
308.03281	3.2
308.06686	1.1
309.04114	1.7
309.07632	4.4
309.11285	3.7
310.04877	0.9
311.09384	1.9
312.09988	3.3
313.10818	2.3
314.10080	1.1
319.06497	1.0
320.06650	1.3
321.07666	1.6
322.04709	1.7
322.08444	1.1
323.05521	4.6
323.09070	1.8
324.06274	2.9
324.09869	1.6
325.07178	1.7
326.11389	1.0
327.12363	2.6
335.05588	1.4
336.06137	1.3
337.06812	5.3
338.07919	6.8
339.08521	6.1
350.08011	1.4
351.08606	2.2
352.09448	3.8
353.06522	4.0
353.10281	13.2
354.06995	1.4
354.10944	2.7
355.08148	1.6
356.08945	2.6
365.10251	1.1
366.10953	1.4
367.08151	3.6
368.08917	7.3
369.09570	1.1
369.13577	2.1
370.10251	1.1
371.11264	9.7
372.11694	1.1
379.08115	3.8
380.08994	1.2
383.11349	45.0
384.11658	2.3
394.10184	1.4
395.07498	5.2
397.12900	2.6
410.10120	5.7
411.10529	1.5
412.11621	1.2
413.12250	7.5
425.12521	31.2
426.12366	1.8
443.13129	2.0
449.16187	1.5
455.13870	6.4
456.49246	1.0
467.13977	0.9
473.14551	4.1
485.14471	11.9
486.14612	1.0
501.15555	1.9
502.16428	0.8
503.15613	6.3
517.18774	1.0
519.16455	3.1
527.15277	1.1
531.16473	6.4
532.15686	5.0
533.17041	3.9
545.16827	4.8
549.17773	8.3
550.17761	1.1
561.17371	4.3
563.17712	12.7
564.17554	1.3
573.17603	11.4
579.18158	3.8
591.18549	6.3
592.19409	1.4
597.19568	15.2
598.20367	1.8
603.18695	4.1
621.19196	2.9
639.20685	16.2
640.20660	2.0
667.20349	2.9
668.21259	1.3
669.21790	18.4
670.22388	2.3
679.19836	1.5
681.21790	20.0
682.22180	2.0
697.21893	2.3
698.21808	2.3
699.22809	6.3
817.27374	2.4
829.26416	1.9
847.27649	9.7
848.27673	1.7
865.29431	3.8
877.30743	3.9
895.30341	17.1
896.30664	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	897.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58015	2.6
70.01130	11.4
71.01379	11.6
79.75432	2.3
89.02427	14.1
92.68573	2.5
97.02936	5.2
98.20665	3.0
101.02467	15.1
109.06586	20.4
113.02428	7.0
119.03492	4.4
121.95219	2.4
122.09562	2.6
125.02495	3.4
135.95012	2.6
163.11220	6.2
175.40797	2.5
179.05551	5.3
189.08987	3.0
207.10260	67.1
218.11411	2.9
225.11304	28.5
233.46814	3.0
235.08237	3.9
243.12321	3.0
255.23289	59.5
256.23605	5.8
379.12393	14.3
382.70422	3.5
397.13504	73.0
398.13931	4.8
415.14536	15.2
587.23883	6.7
589.32104	2.9
605.24750	16.7
635.36499	6.2
653.37103	18.6
732.03314	2.9
843.48059	6.0
861.48425	100.0
862.49530	19.2
897.46124	64.7
898.46503	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	897.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	8.4
71.51287	7.0
75.00893	5.3
77.75731	5.5
81.98327	4.6
89.02435	9.7
99.00864	6.8
101.02420	12.7
109.06577	12.5
111.21007	4.5
114.24259	5.3
115.30379	4.4
125.02362	5.6
163.11266	7.1
182.61804	5.8
207.10248	62.6
215.18777	5.2
221.83290	4.7
225.11371	33.9
255.23251	49.3
379.12567	9.4
397.13501	46.5
415.14575	8.0
519.01031	4.8
569.65985	5.7
587.23071	5.7
605.24268	18.0
623.25421	11.3
649.53662	6.2
653.37109	7.1
843.47272	9.8
861.48474	100.0
862.48419	20.9
897.46204	78.2
898.46783	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	897.4849
Annotation	Primulanin
Peak:m/z	Relative Intensity
68.99821	0.4
69.03445	0.3
69.45168	0.6
69.45582	1.3
71.01369	2.1
73.02928	0.7
80.96500	0.3
83.01373	0.5
85.02953	0.6
87.00851	0.3
89.02430	1.3
96.95992	0.7
98.20631	0.6
101.02435	2.2
102.88035	0.3
113.02419	1.6
119.03532	0.8
119.04983	0.3
125.02414	1.0
127.16042	0.3
133.02921	0.4
143.03488	0.5
161.02414	1.1
161.04536	0.8
179.05594	0.7
221.06587	0.4
305.08725	2.0
323.09750	1.0
365.10785	3.7
471.34753	100.0
472.35120	12.0
472.40622	0.2
633.39429	0.7
675.41516	0.8
752.06421	0.4
837.46338	4.7
838.46942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.506
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95203	0.9
69.03433	1.6
70.06394	1.8
70.06786	2.6
71.01379	100.0
71.05025	1.1
72.01747	1.1
72.99302	2.4
73.02946	4.9
75.00860	3.0
81.03448	1.8
83.01370	1.7
85.02931	5.8
87.00877	4.5
89.02441	19.6
91.83031	1.0
95.01382	1.8
97.02942	5.4
98.20536	1.5
99.00883	1.5
101.02439	17.4
109.06586	5.6
111.00819	1.2
113.02460	9.8
114.51855	1.0
119.03506	5.3
125.02450	8.1
125.06047	1.2
125.09705	2.4
127.11310	1.3
131.03552	1.1
135.08086	1.7
143.03500	3.9
153.09297	1.0
161.04515	4.3
163.11232	4.2
171.10258	50.7
172.10620	2.4
179.05562	3.8
181.12366	1.8
199.09737	10.8
199.13390	1.8
201.11328	13.4
202.11734	1.6
207.10216	18.4
208.10493	1.2
217.07072	1.3
221.06564	2.5
221.11810	1.8
225.11295	13.2
235.08231	5.8
243.12407	1.6
253.09384	1.3
255.23274	75.1
256.23605	4.7
287.07571	1.6
296.96829	1.3
305.08612	2.3
351.35791	1.0
361.36050	1.0
379.12442	7.3
397.08319	2.5
397.13477	44.4
398.13696	3.6
415.14499	9.6
524.51599	1.1
605.24548	1.2
623.25696	1.2
653.37421	1.6
835.47650	5.1
858.02893	1.2
861.48291	11.1
862.49530	4.9
879.49194	2.8
897.50507	12.8
898.50500	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	899.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90379	2.2
71.01376	8.5
72.99285	0.8
73.02932	2.5
83.01373	1.6
85.02933	2.8
87.00857	3.7
88.98792	3.0
89.02435	2.6
93.03453	5.6
96.96006	6.3
98.95560	0.8
101.02460	5.9
108.02174	1.4
109.06561	0.9
111.04501	1.2
113.02453	3.8
116.92835	1.6
117.03490	1.0
119.03528	0.9
119.05003	1.4
121.02952	5.8
122.02904	1.4
122.03745	15.2
123.04549	1.0
125.02378	1.1
133.02951	6.1
133.06555	1.5
133.79172	0.8
134.03725	1.2
135.04514	6.5
136.01672	1.6
137.02460	1.4
139.04001	1.1
145.02959	1.9
147.04477	2.0
148.05290	2.7
149.02438	26.3
149.06062	1.3
150.03218	100.0
151.03677	3.8
153.05545	1.4
157.08684	1.2
160.01688	1.7
161.02438	9.1
161.06042	1.3
163.03995	4.9
163.07678	0.9
164.04744	4.9
165.05559	72.9
166.05898	3.5
173.02420	3.6
174.03154	3.3
175.03896	1.7
178.06288	3.1
179.03445	3.1
180.04309	3.9
183.06763	0.9
188.04788	1.1
189.05551	1.4
191.05556	1.0
193.05017	1.3
193.08665	4.2
195.04823	1.8
195.06609	28.5
201.02023	0.9
205.05000	1.4
206.05762	1.5
207.06631	1.5
208.05157	1.0
213.09122	0.8
217.04906	1.3
220.03708	1.6
221.06004	1.3
223.03734	0.8
229.05006	0.8
231.10226	1.6
237.05547	2.3
238.06313	0.9
247.04007	1.9
248.04736	1.7
249.05487	1.3
250.06335	1.2
251.03363	1.0
251.07092	2.5
253.05060	1.7
254.84671	0.8
262.06473	0.9
263.03378	1.8
263.07202	1.4
264.04263	1.6
265.04944	2.5
266.05829	1.0
267.06522	1.3
269.04468	0.8
277.05176	1.8
279.03162	1.0
279.06534	3.0
281.04468	1.9
281.08148	1.3
282.05270	1.8
283.06274	1.1
290.05679	1.4
292.07245	1.6
293.08163	2.0
294.05331	1.7
294.08807	1.3
295.05997	2.8
295.09680	4.1
296.06808	2.1
296.09952	1.2
297.07675	2.7
298.07935	0.9
304.03589	0.9
305.04727	1.1
306.05014	0.8
307.06094	1.0
308.03244	2.1
309.07626	3.9
309.11310	2.5
310.08359	1.0
311.05560	0.9
311.09106	1.9
312.10062	1.6
315.10858	3.9
318.05380	1.2
319.06119	2.2
320.06766	1.2
321.07657	2.0
322.04797	1.6
323.05560	4.2
323.09128	1.7
324.09961	1.7
333.07535	1.0
335.05493	2.2
336.06168	1.2
337.07050	4.0
338.07968	5.0
339.08487	1.7
350.07660	1.6
351.08826	1.8
352.09366	3.1
353.06445	2.4
353.10266	12.1
355.07941	0.9
365.10104	2.6
368.08951	4.6
371.11450	3.8
383.11404	13.1
395.21069	3.2
396.21530	1.4
413.21460	1.0
460.14957	1.9
471.10666	2.1
475.17639	1.3
486.13321	2.9
487.14337	1.3
497.27390	1.2
501.15479	6.1
519.16498	2.8
531.16534	13.9
532.16956	2.0
536.19104	1.0
549.17804	8.1
550.19293	1.3
557.29425	2.6
591.88531	1.0
597.19849	3.0
621.18152	1.7
623.19171	1.6
638.20911	1.1
639.20789	2.1
653.21942	1.6
655.20410	1.9
657.21490	4.1
672.23676	1.7
673.24896	14.0
674.25226	2.5
685.24921	39.8
686.25281	6.2
703.25946	7.6
704.26172	1.2
726.39368	0.9
737.26617	2.7
809.71155	0.9
821.30188	11.9
822.30994	2.7
833.30133	4.8
834.31403	1.7
851.31104	30.9
852.32019	4.0
869.32288	8.8
881.31696	2.5
899.33368	43.2
900.33063	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	899.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	1.2
71.01370	6.5
71.52461	1.7
73.02935	2.0
83.01402	1.1
85.02937	3.1
87.00853	2.6
88.98772	1.6
89.02435	2.5
93.03452	3.8
96.95998	4.6
101.02431	4.0
107.05012	1.0
108.02151	1.4
113.02483	3.7
116.92899	1.5
119.05016	1.4
121.02975	5.9
121.06576	1.4
122.02886	1.9
122.03720	16.7
122.35946	0.9
123.04594	1.4
133.02919	5.2
133.06512	2.1
134.03703	1.8
135.04500	7.2
136.01654	1.6
139.03992	1.1
145.02919	1.8
147.04472	2.0
148.05275	2.9
149.01291	1.8
149.02428	27.9
149.06013	1.7
150.03215	100.0
151.03674	4.7
157.08743	1.6
159.04515	1.4
160.01582	1.4
161.02432	13.3
161.06033	1.9
163.03975	2.1
164.04802	6.4
165.05553	77.7
166.05917	2.6
173.02403	3.9
174.03207	1.9
174.71835	1.1
175.03993	1.4
178.06418	1.5
179.03494	3.2
180.04312	5.7
187.07608	2.2
189.05411	1.4
191.05617	1.5
193.08499	1.7
195.06590	24.3
196.06953	1.0
201.01848	2.2
206.05777	2.0
209.05960	2.0
222.03000	1.3
223.04089	1.2
225.05574	2.4
237.05548	2.1
247.03889	1.7
248.04803	1.6
249.05511	2.2
250.06267	1.2
253.04982	1.8
263.03458	1.8
264.04144	2.2
265.05057	1.6
267.06400	1.8
276.04178	1.9
277.04993	2.1
278.05475	1.5
279.03003	2.0
279.06396	2.3
280.03799	1.9
281.04535	1.8
282.05234	2.2
290.05600	1.8
291.06262	1.2
292.07446	1.3
293.07999	2.2
294.05365	2.0
294.08789	1.7
295.06079	4.3
295.09750	3.3
296.10214	1.7
297.07639	2.1
298.08334	1.4
307.06024	2.1
308.03159	3.6
308.06766	1.5
309.07587	4.9
309.11261	3.3
311.09250	1.4
315.10785	1.5
318.05530	1.3
319.06149	2.1
320.06769	1.4
323.05545	3.8
324.06567	1.2
324.09985	2.5
335.05545	1.9
337.07111	4.4
338.07901	5.3
339.08395	2.3
350.07983	2.4
352.09525	2.7
353.06396	3.1
353.10220	11.2
354.10742	1.9
356.08859	1.7
365.10269	1.7
368.08801	5.8
371.11237	2.5
383.11371	13.2
395.21213	3.2
460.14737	1.3
471.10898	1.7
486.12973	3.1
487.13620	1.4
501.15503	8.7
502.16501	1.4
519.16400	5.0
520.16553	1.2
531.16479	11.4
549.17407	7.4
565.62103	1.2
569.84760	1.5
597.19879	1.6
621.18176	3.2
639.20844	2.5
657.21503	4.5
672.24341	3.0
673.24915	13.6
674.25616	3.6
685.24847	45.8
686.24939	6.5
703.26508	5.8
704.26654	1.4
737.25732	2.2
821.30365	11.1
822.31024	2.9
833.29706	5.2
851.31165	35.3
851.47235	1.8
852.31366	5.2
869.32001	10.1
870.32727	2.2
881.32385	3.0
899.33234	48.2
900.33246	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	899.464
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26757	0.8
68.91872	0.7
69.03448	4.2
70.35247	0.7
71.01381	15.1
71.05003	1.7
71.52468	1.4
72.99289	1.3
73.02927	2.6
83.01379	1.8
85.02935	3.8
87.00846	3.0
89.02447	10.6
97.02967	1.1
99.00846	0.9
101.02434	9.6
106.75972	0.9
108.45339	0.8
113.02436	3.3
119.03493	2.3
125.02422	2.1
125.09705	1.9
126.90381	0.8
133.02917	2.1
135.04518	4.5
151.03995	1.3
151.11250	2.0
153.12857	1.7
161.02408	6.4
161.04497	1.7
161.09705	2.4
161.23174	0.8
179.03474	3.5
179.10753	3.8
197.11809	52.9
198.12146	1.4
211.13309	1.1
221.06616	2.5
223.09673	1.3
241.10779	3.6
277.21680	18.8
278.22089	2.3
356.51044	0.9
397.13199	2.2
469.33282	1.2
564.89941	1.1
621.18048	5.4
664.30725	2.2
899.46387	100.0
900.46759	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	899.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	4.2
70.73983	0.7
70.74326	1.1
71.01379	12.2
71.05017	1.0
71.41003	0.4
71.49023	0.4
72.62817	0.4
72.99319	1.1
73.02936	2.5
75.00850	0.7
76.48563	0.4
79.07121	0.5
81.03464	0.5
83.01382	1.2
85.02952	3.1
87.00854	1.7
87.04478	0.4
89.02437	8.2
95.01385	1.0
95.05018	0.5
97.02919	0.9
97.06584	1.1
99.00858	1.1
101.02441	8.3
102.02741	0.5
109.02918	0.7
113.02436	3.5
119.03478	1.4
123.08094	0.9
125.02415	2.2
125.09694	1.7
133.02951	1.1
135.04518	1.0
143.03458	0.7
151.11278	2.2
153.12839	0.8
161.02448	2.6
161.04506	1.3
161.09708	3.6
169.12357	0.6
170.33203	0.5
171.10205	0.6
173.79192	0.5
179.03560	0.8
179.10797	3.8
197.11815	35.0
198.12198	1.3
200.67934	0.5
211.13365	0.6
221.06639	1.8
223.09676	0.5
235.08202	0.8
241.10736	1.4
253.09149	0.8
277.21710	32.2
278.22040	2.2
397.13342	1.7
415.14612	0.6
471.34723	0.9
534.20557	0.6
621.17706	1.0
650.44629	0.6
664.31195	3.5
664.81824	0.6
686.40845	0.5
735.90094	0.5
831.48206	0.6
890.26770	0.5
899.46411	100.0
900.46570	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
68.54327	36.3
70.83512	100.0
79.99556	39.4
81.44098	35.5
89.88323	35.8
98.20759	37.8
126.45897	37.3
585.10931	45.8
633.28528	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51105	1.1
71.01374	22.5
71.05017	2.5
71.52246	1.7
71.80315	1.2
72.99282	1.2
73.02945	3.6
75.50505	1.2
80.60835	1.4
83.01360	1.6
85.02923	4.7
87.00866	3.1
89.02436	11.2
90.03524	1.1
97.02948	6.4
97.06567	3.1
99.00874	10.2
101.02441	11.9
103.77056	1.3
107.40932	1.0
109.06586	2.8
113.02417	7.1
119.03481	3.8
123.08076	1.6
125.02428	4.5
125.09736	5.8
133.02956	1.9
135.04549	1.8
135.08177	1.8
140.61240	1.1
142.02625	1.6
143.03505	2.4
161.02415	4.1
161.04591	2.5
163.11282	6.4
171.10220	16.1
179.03590	1.4
179.05605	1.8
181.12297	10.1
199.09720	2.2
199.13374	10.3
201.11320	3.8
207.10236	26.2
225.11285	37.2
235.08148	2.8
243.12318	7.8
275.15543	1.2
277.21692	48.5
278.22107	3.3
287.07532	1.7
379.12228	3.9
397.13385	14.3
415.14749	1.7
471.34805	3.5
605.24109	3.6
623.25726	3.7
633.42810	1.2
657.33728	1.3
664.80823	1.6
691.27423	1.7
762.42029	1.3
883.46906	16.0
884.46832	2.3
901.47894	100.0
902.48181	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.8
70.01801	1.5
70.02186	1.6
71.01375	15.6
72.99287	1.7
73.02938	2.1
80.02679	1.3
80.23077	0.8
81.03442	1.8
83.01365	0.9
83.05016	5.0
85.02950	3.2
87.00858	2.6
89.02441	12.6
95.01408	1.8
95.05035	1.7
96.46381	0.8
96.96027	0.8
97.02956	2.1
97.06580	0.9
99.00895	1.2
101.02435	10.5
107.90142	0.8
111.00882	0.8
111.04510	0.8
113.02450	5.9
116.92845	1.1
119.03493	3.5
125.02438	3.8
135.08098	0.7
135.84416	0.8
143.03476	1.2
145.99905	0.8
159.39758	0.7
161.02434	1.2
161.04541	3.1
163.11275	3.8
165.12825	2.9
179.05598	2.8
183.13933	1.1
191.10797	1.0
195.13942	4.9
205.12230	0.8
209.11807	100.0
210.12189	4.0
211.13361	0.9
221.06544	1.6
223.13405	4.2
227.12856	12.5
228.13412	1.1
235.08206	4.5
235.16951	0.8
253.09288	1.6
259.08194	0.9
275.20193	5.5
293.21207	97.5
294.21585	7.9
305.08786	1.9
323.09973	1.5
362.19388	0.9
379.12265	3.3
397.13483	40.0
398.13885	2.0
415.14578	12.2
416.14874	1.3
475.17825	1.0
589.24908	1.0
607.26019	3.3
626.66229	0.8
651.86865	0.8
673.34009	1.3
691.35394	1.6
712.58936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	1.3
71.01377	14.8
72.99290	1.6
73.02923	2.7
80.02662	0.9
81.03439	2.1
83.01376	1.6
83.05031	4.3
85.02943	4.2
87.00847	3.6
89.02441	11.1
95.01360	1.7
96.96013	1.3
97.02937	2.4
99.00853	0.9
101.02441	10.2
101.03040	1.3
106.95680	0.8
112.98561	0.9
113.02439	5.3
116.92835	2.6
119.03485	3.0
121.10191	0.8
125.02435	4.2
131.33885	0.8
135.08165	0.9
143.03488	2.1
161.02454	1.1
161.04543	3.2
163.11266	4.7
165.12813	2.5
171.10274	3.0
179.05626	4.0
191.10786	1.2
195.13889	7.9
203.91806	0.7
209.11809	91.5
210.12167	4.4
210.29082	0.7
211.13354	1.2
221.06531	1.4
223.13350	5.2
224.13872	0.9
227.12869	12.4
228.13335	1.0
235.08130	4.1
253.09338	0.9
256.13107	0.8
261.46582	0.7
275.20096	8.4
279.72031	0.8
287.07782	2.1
293.21225	100.0
294.21515	7.3
305.08817	0.9
352.78699	0.8
379.12479	3.7
397.13483	35.6
398.13895	2.6
415.09039	1.2
415.14484	14.0
445.06924	0.9
455.35144	1.9
589.25195	1.4
607.26056	1.9
673.34790	1.1
691.35291	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	903.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20386	0.6
69.03444	1.8
69.34379	4.3
71.01377	19.8
72.99303	1.9
73.02953	3.1
74.29465	0.7
78.13827	0.6
80.02686	1.3
81.03450	1.6
83.01394	2.1
83.05028	4.4
84.02133	0.9
85.02972	4.5
87.00871	4.8
89.01941	1.5
89.02442	17.0
95.01369	1.5
97.02952	3.2
99.00864	1.5
101.02432	15.3
111.04488	1.2
113.02438	8.2
116.92860	3.6
119.03508	3.5
121.03003	0.7
125.02446	7.0
125.09708	3.1
127.11291	3.9
133.02962	2.5
135.04518	2.2
135.08147	0.9
143.03467	2.6
155.10826	0.8
161.02432	6.4
161.04514	4.5
163.11270	3.7
165.09224	1.5
165.12849	2.5
171.10254	3.1
179.03488	1.1
179.05602	5.1
181.12448	0.9
199.09885	1.5
201.11311	73.4
202.11595	3.8
206.38701	0.8
209.11807	100.0
210.12158	5.4
214.05026	0.7
217.07085	1.1
221.06659	2.0
225.11223	1.3
227.12886	12.6
235.08176	6.6
253.09381	1.0
263.07568	0.8
277.21689	63.4
278.22086	6.3
287.07623	1.6
293.21619	0.8
305.08722	2.8
323.09641	2.1
330.50784	0.7
379.12424	10.3
397.13480	53.3
398.13733	4.3
398.37540	0.7
415.14514	12.2
443.31625	0.8
581.24030	3.5
589.24701	2.1
599.25739	3.1
607.26105	2.4
610.18127	0.8
657.34833	1.2
675.35956	3.6
878.35895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87558	0.4
66.02430	0.4
68.64554	0.4
71.01369	1.7
72.99313	3.0
73.02945	1.0
83.01389	0.5
85.02950	0.6
87.00893	0.8
89.02439	0.9
96.33197	0.4
97.02944	0.5
98.20708	1.4
101.02438	1.5
103.03999	0.6
103.05545	0.6
105.03451	1.0
107.05026	0.6
109.02930	2.5
111.00847	0.4
114.21389	0.4
117.03411	0.8
119.05016	5.0
121.02908	0.6
123.04520	6.9
132.02185	1.5
133.02951	32.9
134.03687	1.6
135.04523	29.7
136.04831	1.1
137.02414	0.9
147.04510	56.4
148.04857	1.8
149.02406	0.9
149.06084	2.3
150.03221	6.4
151.02768	0.4
151.04005	12.3
161.02432	100.0
162.02773	4.3
165.05559	44.2
166.05896	1.9
174.03188	0.5
175.04048	2.1
177.05547	4.0
179.03487	25.8
180.03859	0.6
189.05533	0.4
193.05034	0.4
203.03488	10.4
205.07343	0.5
207.06612	21.6
208.06985	0.6
221.04546	2.5
230.33167	0.4
233.04509	1.0
233.47493	0.4
243.12912	0.5
300.02762	0.8
301.03088	0.4
362.73230	0.4
427.12247	0.6
459.15353	0.6
469.13449	0.8
487.14575	6.9
488.14819	0.8
532.40509	0.4
609.14563	0.9
610.15137	0.7
621.18207	42.4
622.18494	5.5
653.20819	84.5
654.21143	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	905.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91333	0.6
71.01376	6.2
72.99300	0.6
73.02954	2.3
73.29639	0.7
83.01382	53.5
85.02952	2.0
87.00879	0.7
89.02456	0.8
93.03446	6.8
93.33260	0.7
97.32511	0.6
99.00907	1.3
101.02443	3.5
105.03453	0.9
108.02206	1.1
109.02955	1.0
111.00889	0.8
111.52145	0.7
113.02447	3.0
117.03488	0.8
119.05022	1.8
121.02952	25.5
122.03759	11.6
123.00901	2.7
123.04523	1.1
132.02173	18.8
133.02945	4.9
134.03740	36.3
135.04526	3.3
136.01654	2.4
136.05296	20.0
137.02428	1.9
137.06079	1.0
138.03212	1.5
146.03827	0.8
147.04546	2.4
148.05338	0.9
149.01285	1.4
149.02434	21.2
149.06067	8.4
150.03218	79.7
151.03685	2.3
160.01653	87.6
161.02309	4.0
161.04559	0.9
163.04211	0.8
163.05864	0.6
163.07620	0.8
164.04875	3.0
165.05560	66.6
166.05891	2.0
168.04277	6.1
174.03281	0.6
175.03992	100.0
176.04533	5.6
177.01950	0.8
177.05464	0.9
178.02710	3.5
179.03529	1.6
180.04280	5.5
187.11229	0.7
191.05637	0.7
191.07161	4.7
192.04198	1.1
193.05037	38.6
194.05379	1.5
195.06622	34.9
196.06944	1.2
204.04266	0.6
209.11810	2.0
210.12163	0.8
210.28770	0.6
215.72536	0.7
217.05046	2.6
219.06668	1.2
220.03734	1.3
221.06572	0.8
234.06929	1.0
235.06104	26.6
235.09816	1.4
236.06465	1.0
239.07239	0.9
244.74905	0.7
250.06337	1.4
263.12924	1.4
267.06610	0.9
277.07227	1.4
277.38028	0.6
282.09058	3.0
295.08246	1.2
337.09262	91.9
338.09607	4.7
341.10281	16.8
342.10645	1.4
356.12555	4.8
357.13232	3.5
371.11191	2.1
371.15036	26.5
372.15320	1.9
383.11203	1.1
389.12360	3.9
413.12277	1.1
425.12149	1.1
431.13419	6.2
455.13547	1.8
455.42627	0.7
473.14465	2.3
474.15009	0.8
485.14331	5.5
515.15802	0.8
533.16681	14.4
534.17078	1.2
709.24902	71.9
710.25214	10.6
829.10400	0.7
905.34790	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	905.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	2.9
71.01380	33.8
71.52213	3.0
72.99284	1.9
73.02944	14.8
74.78090	1.4
80.91068	1.7
83.01383	9.5
85.02950	21.7
86.00093	1.4
87.00877	4.0
89.02432	7.5
93.03455	6.4
93.45803	1.5
95.01388	3.6
99.00883	4.6
101.02441	34.0
111.04509	1.7
113.02452	16.9
119.03515	2.6
133.02956	3.6
135.04486	1.7
137.09721	2.8
139.11258	7.7
149.04555	2.1
160.86584	1.5
161.02469	3.0
161.04593	8.4
167.16252	1.4
177.01912	16.8
183.10257	36.8
191.05615	32.8
243.88966	1.4
257.08179	4.8
315.18085	27.2
319.00949	2.0
319.13998	16.7
333.19171	40.3
334.19342	3.0
375.20203	100.0
376.20535	7.9
381.19055	2.0
399.20502	1.7
411.19928	1.8
431.13559	2.1
441.21060	2.2
449.14178	12.3
904.23639	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59589	1.3
68.53771	1.3
69.03466	3.9
71.01380	77.8
71.52232	1.3
71.52631	2.1
72.99315	3.5
73.02945	92.6
75.00874	2.5
76.77122	1.3
80.82411	1.1
81.03495	1.7
83.01386	71.9
84.01703	2.1
85.02949	15.4
87.00876	3.1
89.02438	19.6
90.52789	1.5
95.01406	6.7
97.02941	1.9
99.00843	1.6
101.02441	100.0
109.02969	1.7
113.02448	48.9
119.03500	11.4
120.99673	1.8
121.02963	10.9
123.00921	2.0
125.02444	4.2
131.03510	11.5
133.02960	2.5
135.04500	1.9
136.05304	14.9
137.05693	1.6
138.03261	2.1
143.03506	9.9
149.04568	23.9
155.03448	1.9
155.70859	1.4
161.02431	3.4
161.04541	28.1
168.04269	3.8
169.52174	1.3
203.05595	3.4
221.06712	7.6
246.15891	1.6
355.11929	1.7
356.12619	1.6
359.96271	1.5
371.14978	65.2
372.15311	18.8
373.12048	6.5
394.82608	1.4
565.62781	1.5
907.36365	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	907.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	5.3
68.99782	1.9
70.73573	1.3
71.01378	43.8
71.01774	2.2
72.01719	1.5
72.99315	2.5
73.02934	12.3
75.00879	1.7
83.01361	8.7
85.02931	17.3
86.51196	1.4
87.00874	3.3
88.98797	6.6
89.02434	19.1
93.03431	2.2
95.01398	2.7
96.95992	3.5
97.02917	1.8
98.19887	4.1
99.00865	5.0
101.02437	30.4
111.00866	2.5
112.25980	1.3
113.02438	16.9
119.03500	9.1
119.04994	7.9
121.02885	2.2
121.06564	2.6
123.04482	1.9
125.02426	2.8
131.03517	1.9
133.02928	5.5
134.03636	1.5
135.04489	6.7
136.01639	3.4
137.02438	2.4
139.04036	9.2
143.03487	3.3
145.02936	1.8
149.04521	4.6
151.03964	5.5
159.02963	2.1
161.02448	12.6
161.04533	8.8
162.03171	2.1
163.03981	3.5
165.05479	2.0
177.05574	3.3
179.03412	4.3
179.05661	1.8
185.27821	1.6
191.05537	4.0
209.04539	2.0
225.11383	1.9
245.83296	1.4
341.10718	1.7
355.21146	16.1
357.13324	4.8
373.22281	44.0
374.22739	3.0
415.23349	100.0
416.23669	6.6
420.41379	1.6
447.22299	12.0
533.17712	2.0
549.17792	1.8
727.28784	7.0
863.39063	10.4
864.38824	2.3
907.34253	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	909.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	68.4
72.99280	2.2
73.02945	32.8
73.19228	1.5
83.01390	9.3
85.02953	17.0
87.00865	4.1
89.01934	3.3
89.02440	38.9
95.01383	5.8
99.00874	2.4
101.02440	48.4
102.02747	1.6
108.02170	56.7
113.02448	41.9
119.03485	16.2
125.02427	1.5
131.03503	3.8
132.02161	7.0
133.02940	3.8
134.03740	14.9
135.04491	6.7
135.57767	1.7
143.03497	5.1
145.00035	1.5
145.02925	1.8
147.02982	1.6
149.04539	8.6
149.06107	2.5
153.37109	1.8
160.01648	37.4
161.02350	3.6
161.04552	24.3
165.05495	2.1
175.03989	49.6
176.04686	6.1
178.02649	2.8
179.03510	1.8
179.05592	6.6
184.87967	1.7
191.05595	2.8
191.07150	6.8
193.05028	19.0
193.06599	2.4
207.06630	1.9
221.06604	5.2
235.06075	24.0
265.07208	6.8
275.80588	1.5
295.08179	10.8
313.16574	14.0
331.17566	26.3
373.18661	100.0
374.18970	5.8
491.15540	73.8
492.15866	5.2
683.60455	1.6
716.01740	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	909.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	23.1
72.99309	0.7
73.02937	9.0
80.36514	0.6
80.40742	0.6
83.01386	6.1
85.02947	12.5
87.00883	2.0
89.02444	5.1
93.04837	0.7
95.01381	1.7
97.02970	0.6
99.00892	4.0
101.01800	1.4
101.02442	19.9
111.00881	7.1
113.01728	1.0
113.02449	10.6
119.03531	1.3
125.02354	0.9
129.01979	0.9
131.56862	0.7
135.04459	0.8
137.62047	0.6
141.12871	0.9
142.55991	0.7
143.03497	1.3
145.02866	0.9
157.08774	0.8
159.03029	2.1
161.02493	1.0
161.04561	7.6
162.94450	0.7
171.13844	0.9
173.00790	1.1
173.15404	0.9
185.11812	38.0
186.12138	1.1
191.05574	1.2
198.56689	0.7
229.22081	1.0
315.10706	1.3
317.19693	17.4
318.20016	1.8
319.13989	11.0
335.16629	1.5
335.20712	28.5
336.21014	2.1
377.21774	100.0
378.22107	9.1
487.25922	1.5
591.03522	0.7
735.25293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65033	0.2
69.03454	0.6
69.82494	0.9
71.01379	8.8
72.99308	0.4
73.02943	12.2
80.84007	0.2
81.03474	0.3
83.01381	2.8
83.05012	0.4
85.02946	1.8
87.00877	3.9
89.02432	1.6
91.05541	0.6
93.03436	1.5
95.01396	0.5
97.02950	0.5
97.23225	0.2
99.00868	0.3
101.02444	6.0
107.05033	0.6
109.06587	14.8
110.06879	0.3
111.00840	0.2
113.02435	3.3
117.03459	4.7
117.07084	0.9
119.03532	0.4
119.05037	2.4
129.51123	0.2
131.03496	0.3
132.60501	0.2
133.06535	0.4
135.08157	55.9
136.08469	1.6
137.02448	0.6
138.78302	0.2
143.03517	0.3
145.02950	21.9
146.03262	0.7
152.04759	0.7
153.09206	35.8
154.09543	1.2
155.03488	0.3
161.02429	0.4
161.04491	1.2
163.03989	3.0
167.07143	1.0
175.15050	0.2
179.07178	1.7
197.08177	55.8
198.08513	2.3
320.58295	0.2
341.12390	4.4
359.13464	2.3
401.14493	100.0
402.14832	6.0
465.17612	19.7
466.17770	1.6
487.15192	0.2
495.18945	0.3
658.83447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.7125
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57666	0.5
69.58074	0.2
88.86256	0.1
88.98828	0.3
94.81963	0.1
181.56139	0.1
407.33072	0.6
455.35257	100.0
456.35587	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	911.713
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41125	0.1
74.84650	0.1
105.01936	0.3
111.53078	0.1
122.70880	0.1
140.23357	0.1
225.96347	0.1
319.58389	0.1
455.35263	100.0
456.35617	11.0
456.42178	0.3
550.09747	0.1
928.18909	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	913.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.8
69.17417	2.1
69.17822	0.5
71.01375	8.5
72.99302	1.0
73.02940	6.5
75.00871	0.4
76.28691	0.2
81.03468	0.2
83.01369	0.5
85.02944	3.6
86.00086	0.8
87.00868	5.2
87.04517	2.5
89.02435	2.9
95.01321	0.2
97.02935	0.4
98.19926	0.5
99.00871	0.5
101.02437	5.1
103.03978	1.6
113.02444	2.1
115.04001	3.0
119.03479	1.0
119.04996	0.3
120.81066	0.2
121.02943	0.3
125.02461	0.6
131.03490	4.5
133.02919	0.7
134.03740	0.6
135.04491	0.6
143.03491	5.7
145.02922	0.3
145.05058	0.7
146.03712	0.6
147.04523	0.3
159.04518	1.1
160.05234	0.2
161.02467	1.4
161.04556	0.9
163.06102	1.0
172.05238	1.0
173.06061	2.0
174.06792	0.3
175.04027	0.3
179.03436	0.3
187.04057	1.3
187.07620	9.7
188.08041	0.6
191.05582	0.3
201.05537	2.1
202.06334	13.6
203.06743	0.6
203.10811	0.4
205.07121	4.1
213.09233	0.7
216.07909	1.4
220.07245	0.3
231.10225	10.0
232.10585	0.4
249.11227	0.6
269.10229	1.0
279.39877	0.3
311.11340	0.7
347.16837	0.3
367.10553	0.3
411.16492	0.8
481.17093	0.5
528.18311	0.4
557.22314	100.0
558.22662	10.7
597.18878	0.3
685.18427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	57.1
66.04295	1.1
67.01864	0.8
68.99812	5.6
69.03452	14.1
70.20445	0.5
70.53789	0.4
71.01379	18.4
71.53341	0.6
72.95868	0.4
72.99306	0.8
73.02943	8.9
80.02663	0.4
81.03451	1.3
83.01384	3.4
85.02952	6.1
87.00872	1.9
89.02445	3.6
91.05523	0.6
93.03455	11.5
95.01382	1.5
95.05021	5.3
96.95984	1.2
97.02940	1.2
97.51926	0.4
99.00867	5.3
101.02431	9.8
103.05540	2.2
106.04245	3.5
107.05035	1.3
109.06595	0.6
111.00906	0.6
111.16568	0.5
113.02441	5.3
114.68536	0.5
119.03523	0.8
119.05009	6.1
121.02955	2.2
121.06588	26.4
122.06918	1.1
123.71713	0.5
124.01697	0.6
125.02457	1.4
133.02975	0.8
135.04494	1.4
137.06071	0.8
139.04004	89.0
140.04337	2.0
141.82150	0.4
147.04514	1.4
161.02425	1.8
161.04518	1.1
161.05765	0.4
163.04005	0.7
165.05556	24.9
166.05952	0.6
179.03470	0.7
183.06602	15.1
209.04530	26.6
210.04890	0.8
224.35858	0.6
227.05582	1.7
273.22385	0.6
275.20090	4.1
276.20288	0.6
277.21744	0.7
293.21115	5.9
317.21045	0.6
327.10754	0.6
345.11789	2.3
389.10864	2.6
437.25372	2.6
455.26318	2.6
479.26321	2.6
497.27466	10.4
498.28049	1.2
618.43207	0.6
641.33124	0.5
767.88171	0.5
825.39160	8.9
826.39685	1.5
827.36969	1.2
869.38007	100.0
870.38293	19.5
913.41382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17708	1.4
69.03458	2.1
69.21516	14.3
69.26359	1.6
70.24750	1.5
71.01379	83.9
72.99301	4.3
73.02943	55.5
75.00865	2.1
76.08230	1.5
78.95694	1.5
83.01385	17.7
85.02950	21.3
87.00875	5.0
89.02441	46.9
95.01396	6.5
97.02967	2.0
99.00919	1.6
101.02438	73.2
102.02894	1.7
103.15014	1.4
113.02444	48.6
119.03497	26.7
125.02431	2.3
131.03473	6.6
132.02184	10.1
133.02959	3.1
134.03735	14.0
134.17555	1.5
135.04514	2.5
137.02400	1.9
143.03502	10.9
149.02509	2.5
149.04552	17.2
149.05824	2.4
149.06032	2.1
150.03278	3.0
160.01642	50.5
160.02902	3.4
161.02412	3.0
161.04538	42.2
175.03992	61.2
176.04515	2.2
177.39378	1.4
179.05620	13.1
191.05545	3.1
193.05032	16.3
203.05605	2.3
221.06633	12.4
222.67807	1.4
235.06198	2.3
244.62558	1.5
313.16489	8.9
331.17590	21.4
332.18076	2.2
373.18646	69.5
374.19003	7.4
401.14304	2.2
449.40396	1.7
491.15488	7.1
495.18704	100.0
496.19080	11.5
521.08936	1.6
719.84949	1.5
868.36334	2.0
890.09656	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
68.18829	0.9
71.01376	31.9
71.51838	1.4
71.82153	1.1
72.99314	1.2
73.02945	13.0
75.50800	1.1
83.01398	4.7
85.02950	14.1
86.33063	1.0
87.00878	2.2
89.02442	10.7
92.17103	1.0
93.03454	20.1
95.01396	3.5
97.02892	1.2
99.00878	1.5
101.02437	20.7
113.02443	13.2
119.03494	3.8
121.06554	1.8
123.08153	16.4
125.02429	1.1
133.02953	3.1
134.03741	1.1
135.04517	5.4
136.01619	1.6
137.02435	63.7
137.09702	7.1
138.02742	1.7
139.07652	1.5
143.03505	2.1
145.01437	1.5
149.04561	1.5
153.09215	2.6
157.08759	1.2
159.02930	1.4
161.02434	7.3
161.04506	9.9
163.11275	18.0
172.58511	1.1
175.04056	2.6
179.03513	7.4
189.12822	31.2
190.13275	2.4
191.05516	1.4
193.05154	1.2
203.05634	3.0
207.13876	35.9
208.14342	1.5
225.14949	9.6
281.06631	2.2
333.19138	2.8
347.08194	1.0
353.20190	1.2
367.17557	3.4
368.17941	1.8
369.18744	2.6
371.79440	1.2
387.20197	15.8
393.21207	1.5
422.79919	1.4
427.19662	3.3
429.21222	90.1
430.21500	8.6
431.19125	2.2
439.16052	100.0
440.16348	7.3
456.01572	1.4
495.18716	3.0
613.70148	1.2
767.24615	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	913.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17708	1.4
69.03458	2.1
69.21516	14.3
69.26359	1.6
70.24750	1.5
71.01379	83.9
72.99301	4.3
73.02943	55.5
75.00865	2.1
76.08230	1.5
78.95694	1.5
83.01385	17.7
85.02950	21.3
87.00875	5.0
89.02441	46.9
95.01396	6.5
97.02967	2.0
99.00919	1.6
101.02438	73.2
102.02894	1.7
103.15014	1.4
113.02444	48.6
119.03497	26.7
125.02431	2.3
131.03473	6.6
132.02184	10.1
133.02959	3.1
134.03735	14.0
134.17555	1.5
135.04514	2.5
137.02400	1.9
143.03502	10.9
149.02509	2.5
149.04552	17.2
149.05824	2.4
149.06032	2.1
150.03278	3.0
160.01642	50.5
160.02902	3.4
161.02412	3.0
161.04538	42.2
175.03992	61.2
176.04515	2.2
177.39378	1.4
179.05620	13.1
191.05545	3.1
193.05032	16.3
203.05605	2.3
221.06633	12.4
222.67807	1.4
235.06198	2.3
244.62558	1.5
313.16489	8.9
331.17590	21.4
332.18076	2.2
373.18646	69.5
374.19003	7.4
401.14304	2.2
449.40396	1.7
491.15488	7.1
495.18704	100.0
496.19080	11.5
521.08936	1.6
719.84949	1.5
868.36334	2.0
890.09656	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
68.75562	0.9
69.03444	3.6
69.49005	3.2
69.49438	3.9
71.01376	100.0
71.61781	1.0
72.01706	1.5
72.99297	4.0
73.02941	87.8
74.03260	1.4
75.00882	1.0
81.03435	1.2
82.17183	1.0
83.00922	1.8
83.01380	26.1
85.02942	15.5
87.00868	3.0
89.02440	29.5
90.02805	1.0
95.01382	4.2
97.02952	2.4
99.00872	3.3
99.48724	0.9
101.02434	85.8
102.02762	1.6
113.02444	34.0
119.03493	16.2
125.02413	4.2
131.03500	7.4
135.45978	1.0
137.09708	2.3
143.03482	9.6
149.04543	13.7
155.03532	2.7
161.04538	30.7
161.05899	1.6
165.12852	1.5
179.05579	1.7
188.59135	1.1
189.12814	6.4
192.11565	4.9
203.05585	27.9
204.05930	1.2
207.13875	52.5
207.15855	2.5
208.14186	4.6
209.22552	1.1
211.19521	1.1
221.06631	12.6
353.19559	2.9
371.20746	22.5
372.21130	1.6
411.20044	2.8
413.21762	61.2
414.21982	4.3
576.59064	0.9
585.64166	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70129	2.3
65.03642	4.0
65.03958	52.6
66.55361	3.2
67.48689	2.2
68.99799	5.7
69.03452	15.9
69.51713	10.7
69.52125	3.5
71.00999	3.4
71.01366	21.8
72.67301	2.4
73.02924	10.9
83.01369	7.2
83.21088	2.5
85.02940	7.8
89.02428	7.0
93.03432	10.2
95.05013	4.7
96.96003	8.8
99.00854	3.7
101.02433	12.6
103.05484	3.6
104.48401	2.2
106.04151	3.2
113.02419	8.2
119.05003	7.3
121.02930	3.9
121.06583	33.5
124.01644	2.4
125.02407	3.7
133.02931	4.0
135.04442	3.1
139.04002	89.5
140.04332	2.7
147.04422	2.9
161.02390	8.4
165.05550	26.9
179.03514	3.4
183.06584	16.9
205.67776	2.5
209.04575	20.8
211.13376	2.9
213.14935	6.5
215.16467	56.4
244.27580	2.5
277.21591	6.3
295.22696	2.6
357.13367	2.7
358.52856	2.5
371.14752	2.5
389.10815	2.3
439.26889	4.6
457.28336	4.8
463.71631	2.2
481.28012	2.9
499.28943	11.2
500.28687	2.8
827.40607	8.5
871.39563	100.0
872.39722	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	915.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	3.3
69.46799	2.6
71.01378	67.9
72.01717	0.7
72.99297	3.3
73.02942	100.0
74.03278	1.0
75.00876	1.4
81.03458	0.6
82.56899	0.4
83.01384	29.6
85.02949	11.1
87.00880	2.2
89.02442	15.2
95.01385	4.1
96.77827	0.3
97.02934	2.1
97.87743	0.4
98.20647	0.8
99.00887	1.0
99.04519	0.8
101.02438	89.7
102.02787	1.7
103.04018	0.7
111.67995	0.3
113.02444	36.2
114.02782	0.8
117.01929	0.5
119.03491	12.5
119.04342	0.6
125.02453	3.0
129.84932	0.4
131.03497	9.8
143.03485	12.2
144.03748	0.5
147.02988	1.1
149.04550	23.1
155.03505	3.3
161.04544	35.1
162.04964	0.4
191.05521	0.6
203.05591	5.9
221.06648	10.9
280.08304	0.4
413.21790	4.2
422.70337	0.4
467.44858	0.3
617.95795	0.4
764.58282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	3.3
69.46799	2.6
71.01378	67.9
72.01717	0.7
72.99297	3.3
73.02942	100.0
74.03278	1.0
75.00876	1.4
81.03458	0.6
82.56899	0.4
83.01384	29.6
85.02949	11.1
87.00880	2.2
89.02442	15.2
95.01385	4.1
96.77827	0.3
97.02934	2.1
97.87743	0.4
98.20647	0.8
99.00887	1.0
99.04519	0.8
101.02438	89.7
102.02787	1.7
103.04018	0.7
111.67995	0.3
113.02444	36.2
114.02782	0.8
117.01929	0.5
119.03491	12.5
119.04342	0.6
125.02453	3.0
129.84932	0.4
131.03497	9.8
143.03485	12.2
144.03748	0.5
147.02988	1.1
149.04550	23.1
155.03505	3.3
161.04544	35.1
162.04964	0.4
191.05521	0.6
203.05591	5.9
221.06648	10.9
280.08304	0.4
413.21790	4.2
422.70337	0.4
467.44858	0.3
617.95795	0.4
764.58282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
68.62929	0.9
68.94760	1.0
69.03445	4.0
69.15427	2.5
69.15834	6.8
71.01375	94.8
72.99303	3.7
73.02940	69.5
75.00873	2.1
83.01379	23.5
83.84641	0.9
85.02942	28.4
87.00880	4.0
88.22665	0.9
89.02434	32.2
95.01386	13.5
97.02950	2.2
98.20657	2.4
99.00877	2.0
99.04520	1.2
101.02433	99.3
102.02799	2.0
105.05058	0.9
113.02441	100.0
114.02811	1.7
119.03494	20.4
125.02424	3.9
126.78838	1.3
131.03491	17.8
135.04504	1.6
137.09677	7.0
143.03482	17.5
145.02928	1.7
147.02963	3.1
149.04546	33.2
155.03497	3.1
161.02397	3.2
161.04533	71.2
162.04823	2.4
162.17741	1.0
176.51251	1.1
179.03479	1.4
179.05635	2.7
189.12799	7.4
203.05630	5.5
203.58537	1.1
221.06631	30.5
243.36717	0.9
262.84195	0.9
351.18253	4.6
369.18915	2.0
411.20248	23.2
412.20490	2.5
415.22995	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59896	0.9
65.78437	0.9
68.76046	1.0
69.03455	3.3
69.15662	4.9
69.16084	4.8
71.01378	100.0
72.01751	1.1
72.99290	3.3
73.02944	44.6
81.03463	1.4
83.01381	17.0
83.05016	3.2
85.02950	36.6
85.03473	1.8
86.03320	1.4
87.00868	2.1
88.13241	1.0
89.02443	20.2
92.35684	0.9
95.01382	7.7
97.02945	3.0
98.20680	2.2
99.00854	8.2
101.02440	63.6
113.02444	44.7
115.14304	1.0
119.03495	12.3
125.02422	3.2
131.03491	4.5
141.56863	1.0
143.03490	8.2
149.04565	7.5
159.02966	2.9
160.01669	1.5
161.02412	1.4
161.04543	34.1
175.03987	1.3
179.05602	8.7
188.34657	0.9
203.05586	18.6
209.15517	5.5
215.63080	1.1
221.06639	5.4
327.07501	1.0
371.20685	25.5
372.20908	2.1
375.20117	2.0
413.21783	85.6
414.22379	5.4
495.18793	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	915.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.4
69.28040	10.5
71.01378	74.9
72.01717	1.4
72.99323	1.6
73.02940	74.4
74.03261	1.4
75.00821	1.4
83.01383	27.4
83.86994	1.1
85.02944	20.0
85.48513	1.2
87.00879	2.9
89.02438	22.6
95.01366	6.5
96.95994	1.4
97.02954	1.5
99.00891	3.3
99.04492	1.5
101.02435	100.0
102.02763	1.8
113.02441	53.5
119.03479	16.1
121.06641	1.9
125.02428	3.0
130.67888	1.2
131.03491	8.7
137.09702	18.4
138.10045	1.3
143.03482	13.1
149.04538	26.1
155.03488	2.5
159.03003	1.7
161.04538	52.2
161.05916	2.5
162.04916	1.5
179.05598	1.7
185.11682	1.4
188.48106	1.3
189.12807	4.2
190.13028	1.7
203.05563	7.5
207.13837	2.2
221.06625	17.6
268.48871	1.2
271.06058	1.3
355.21353	1.6
369.19376	1.6
373.22324	12.1
411.20261	12.4
412.20667	1.8
415.23364	23.7
415.28827	2.5
416.23776	2.1
426.17972	1.2
597.05463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
68.37605	1.7
69.03455	2.0
70.54923	2.0
71.01009	3.5
71.01379	46.8
73.02947	18.6
83.01371	10.8
85.02944	21.8
87.00896	2.9
89.02441	7.3
95.01384	3.2
97.02969	3.0
98.20687	3.5
99.00877	6.7
101.02434	40.2
111.00780	2.1
113.02446	22.5
114.92875	1.9
119.03467	2.4
129.01874	2.2
135.04510	3.2
136.01669	6.8
143.03488	3.2
151.04010	7.0
157.93642	1.8
159.02975	6.6
161.02446	4.3
161.04521	17.6
209.15424	3.4
353.19778	12.3
357.13300	5.7
371.20712	54.5
372.20944	2.9
413.21786	100.0
414.21988	6.3
567.93176	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	917.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	3.4
71.01379	63.3
71.29729	0.9
72.01732	1.0
72.02122	0.4
72.99297	2.6
73.02943	100.0
74.03297	2.1
74.03643	0.4
75.00877	1.5
81.03436	0.6
83.01385	28.0
84.01709	0.7
85.02949	11.6
87.00877	1.7
89.02440	14.6
95.01395	2.9
97.02950	1.1
99.00874	1.3
99.04518	0.6
101.02440	78.9
102.02770	2.5
103.02843	0.7
113.02445	33.4
114.02770	1.1
119.03496	10.4
125.02457	3.2
131.03496	8.4
133.02925	0.6
135.04526	0.7
143.02419	0.8
143.03487	10.7
144.03894	0.5
147.02971	0.7
149.04544	20.1
150.04926	0.9
155.03470	2.7
161.02403	1.2
161.04543	31.4
162.04904	0.8
179.03383	0.7
179.05576	0.7
191.05646	0.9
203.05602	4.3
221.06644	13.2
222.07002	0.9
291.26547	0.5
306.94034	0.4
349.65204	0.4
373.22266	3.5
385.57077	0.5
415.23306	11.5
416.23685	1.0
491.48993	0.5
524.59509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.49
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	100.0
72.99306	2.6
73.02937	4.3
83.01338	3.4
85.02940	6.1
87.00872	6.7
88.90382	1.3
89.02435	14.1
97.02927	4.9
98.19926	2.8
99.00861	3.2
101.02435	16.4
102.34545	1.4
109.06580	4.3
113.02428	8.0
119.03489	5.3
125.02438	6.3
125.09698	1.9
128.66975	1.4
131.03511	1.6
143.03456	1.7
145.05026	1.4
154.18214	1.3
161.04527	3.6
163.11252	4.2
171.10252	50.2
179.05571	3.7
184.42323	1.5
199.09741	13.5
201.11327	12.5
207.10249	19.6
209.11688	1.8
221.06694	2.7
225.11336	14.9
235.08176	5.1
243.12280	3.1
253.09258	1.7
277.21683	66.0
278.21997	3.9
287.07645	2.1
379.12387	5.7
397.13443	44.2
398.13751	2.2
415.14514	11.2
623.25690	1.7
643.85107	1.6
752.74463	1.5
857.45569	3.1
883.47217	11.7
884.48016	4.4
919.49115	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	921.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	9.3
80.02720	0.9
81.03435	1.6
83.01396	1.5
83.05038	3.6
85.02960	1.8
87.00858	2.1
89.02448	9.3
95.05016	0.9
97.02924	1.3
101.02432	8.7
113.02448	5.0
119.03500	2.2
122.70663	0.7
125.02411	3.5
143.03477	2.3
161.04507	4.6
163.11249	3.2
165.12801	1.4
179.05617	6.3
209.11809	100.0
210.12152	4.4
221.06668	1.5
227.12866	21.3
228.13174	1.1
235.08186	4.8
261.77930	0.8
277.21701	43.5
278.21991	3.8
287.07706	2.2
305.08759	2.4
323.09760	2.3
341.10995	1.1
379.12451	13.2
397.13467	53.1
398.13776	2.9
415.14542	13.4
560.23181	1.0
589.24805	8.5
607.25946	9.5
608.25726	1.0
657.35236	3.0
675.35870	4.1
732.37885	0.8
867.47430	2.7
921.46185	36.8
922.46588	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	921.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05177	0.8
71.01377	14.0
73.02929	1.7
81.03453	1.6
83.05003	3.3
85.02924	1.7
87.00865	2.8
89.02437	10.1
97.02896	1.4
101.02438	8.5
102.19868	1.0
107.45485	0.9
108.13524	0.9
111.04436	1.1
112.88882	1.0
113.02441	5.0
119.03497	2.9
125.02466	4.9
128.13675	0.9
141.01956	1.0
143.03471	2.7
161.04517	3.7
163.11223	3.2
165.12816	1.5
179.05612	6.3
209.11798	100.0
210.12173	5.4
221.06676	1.4
224.98003	0.9
227.12865	27.3
235.08257	4.4
277.21683	55.3
278.21985	3.3
287.07495	2.0
305.08755	2.7
323.09738	1.7
379.12299	11.4
397.13437	65.2
398.14053	4.6
415.14514	14.1
471.34534	1.1
578.29010	1.1
589.24884	6.5
607.26288	4.7
636.41663	1.0
657.34833	4.1
675.36041	9.0
862.50476	1.1
867.47821	2.8
921.46143	46.7
922.46552	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	921.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.7
71.01382	20.4
72.99322	2.1
73.02937	3.6
81.03481	2.3
83.01386	2.7
83.05058	2.1
85.02924	7.5
87.00887	4.4
89.02444	13.8
95.01374	1.8
97.02943	9.9
97.06561	1.5
99.00873	8.5
101.02442	13.9
109.06581	22.9
110.03716	1.8
111.00853	1.3
113.02460	9.1
116.92843	7.5
119.03502	2.9
121.06594	2.0
125.02408	6.3
125.09705	1.7
135.08168	3.6
136.05276	1.9
142.02747	2.2
143.03506	2.7
161.04546	2.8
163.11272	15.9
179.05553	3.8
181.12312	9.0
189.09276	2.2
201.35037	1.4
207.10243	82.1
208.10571	3.4
209.11919	3.0
221.06641	1.1
225.11304	59.4
226.11653	1.4
229.27432	1.2
229.60179	1.3
235.08244	5.0
243.12303	9.5
255.23282	66.5
256.23618	3.8
281.24829	2.0
287.07932	1.5
299.15076	2.0
305.08881	2.5
379.12326	6.7
397.13489	34.7
415.14536	10.1
568.92090	1.3
587.23322	2.4
605.24463	14.3
623.25574	8.2
653.36957	3.0
837.73212	1.3
843.46002	1.7
861.48450	100.0
862.48895	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	924.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	38.6
87.58640	18.9
98.20674	48.0
101.02472	31.0
171.47318	17.7
175.05702	17.3
209.11757	100.0
210.12161	39.9
225.11400	20.0
226.11713	21.6
229.30290	23.4
236.31537	16.0
249.43755	16.7
255.23199	95.5
256.23669	48.6
273.08981	17.6
379.12363	24.1
386.53387	20.9
397.13309	63.8
477.73862	17.2
557.66315	20.6
615.62561	18.4
899.51978	21.3
917.47864	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	924.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71932	100.0
98.19927	37.2
197.38556	18.5
202.24368	20.3
309.14822	22.7
458.80200	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	925.464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18622	0.8
69.21166	6.3
69.62835	0.9
71.01375	28.3
72.99287	0.7
73.02941	7.0
73.92316	0.7
75.00826	0.7
77.20137	0.8
83.01376	3.7
85.02943	16.5
87.00860	1.5
87.04522	3.9
87.28169	0.7
89.02428	4.7
89.42259	0.9
93.03474	1.1
95.01380	4.3
96.30962	0.7
97.02932	1.1
99.00885	3.7
101.02434	15.4
113.02440	20.5
119.03469	1.5
124.71750	0.8
129.01878	0.7
134.03728	0.7
143.03502	1.1
159.02957	1.8
161.02412	1.0
161.04533	9.1
173.04533	1.1
189.12723	1.0
191.05562	1.6
219.13887	2.3
255.19669	1.3
274.53351	0.8
317.19559	2.7
335.20731	4.1
377.21768	14.5
378.22131	1.1
397.22086	1.1
399.23825	100.0
400.24121	8.1
417.24899	14.6
418.25522	1.4
459.25940	73.2
460.26196	6.1
467.15344	1.9
789.84796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34703	25.2
69.56825	23.3
70.01392	64.4
70.01785	55.1
98.20588	31.9
100.82729	31.5
101.42281	27.5
103.28625	26.1
103.70531	26.0
128.37631	26.7
209.11794	100.0
235.03996	27.3
283.85693	30.5
397.13327	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01347	31.9
73.87482	34.5
81.94941	33.1
81.97604	27.0
98.20719	52.7
160.73874	31.3
175.88005	35.8
182.98112	36.1
190.07971	38.2
209.11903	85.2
210.12047	78.1
229.22075	38.8
255.23370	63.1
397.13525	57.5
573.33887	38.6
617.38324	100.0
618.40289	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	931.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	1.1
65.70959	0.5
69.30750	1.8
69.31171	2.3
71.01379	18.3
72.99303	2.4
73.02941	3.2
76.46524	0.4
79.05527	1.3
83.01381	31.7
85.02947	4.7
87.00869	1.1
88.98795	0.7
89.02441	10.6
93.03465	0.9
95.01379	1.9
95.05038	1.0
96.95999	1.1
97.02936	0.6
99.00846	1.1
99.04523	1.3
101.02439	10.8
105.07111	1.2
107.05051	2.6
107.05657	0.5
108.02165	0.8
109.02950	1.3
109.06560	0.5
111.00886	0.6
111.04537	0.9
113.02449	6.6
119.03497	4.1
119.05025	0.6
120.05795	0.8
121.02953	4.8
121.06543	0.8
122.03732	5.8
123.04505	3.5
125.02424	0.6
131.03510	0.7
133.02939	1.7
134.03712	0.9
135.04514	2.1
136.01653	25.3
136.05286	1.4
137.02368	1.9
137.06088	5.5
139.04034	1.3
143.03508	1.3
146.03783	0.5
147.04523	2.6
149.06090	1.6
150.03175	0.5
151.03995	36.5
152.04430	0.9
157.06580	1.4
159.04440	0.7
159.74976	0.5
161.02470	2.9
161.04558	1.7
161.06059	1.7
161.09705	1.5
161.13344	5.8
162.06912	0.8
163.04016	0.7
165.05490	0.9
169.10136	0.8
172.09015	0.5
175.03961	0.7
175.07555	0.7
176.04686	0.6
179.03491	1.6
179.05635	1.6
185.09645	0.8
185.13239	0.9
187.11267	21.3
188.11444	1.0
191.07086	1.4
203.10796	0.6
205.12300	5.2
209.04639	0.7
209.08162	1.8
211.11269	0.8
213.09222	1.0
217.12169	0.5
221.08160	2.5
227.14371	0.5
229.12271	2.3
231.10226	2.2
245.11859	0.8
247.13417	1.1
249.11336	4.2
253.12231	0.6
255.10104	0.7
262.32565	0.5
273.11398	0.9
291.12393	1.1
295.08087	1.2
297.11060	0.6
298.12100	0.7
313.14505	1.6
315.12277	1.3
327.12381	4.7
328.12494	0.5
330.15570	0.6
333.13333	0.8
342.11038	6.7
343.11816	4.2
349.16498	4.5
357.13394	100.0
358.13754	7.6
393.15503	4.7
411.16461	1.8
422.57529	0.5
466.60638	0.6
501.18063	0.9
519.18536	3.4
565.06860	0.5
573.21735	2.0
707.30731	3.8
708.30963	0.7
751.29608	37.1
752.30017	6.2
761.99457	0.6
887.38617	1.9
931.35974	25.0
932.36536	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	931.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76141	5.7
70.08186	5.1
71.01379	9.5
71.52172	5.2
76.31084	5.1
87.00918	6.7
89.02443	12.2
97.07447	6.5
97.15102	7.4
101.02444	10.4
125.02460	6.7
141.58781	5.3
143.03438	7.5
209.11813	100.0
217.68045	5.4
227.12849	21.7
255.23291	52.7
369.67719	5.4
370.76462	5.3
379.12421	22.8
397.13495	48.7
415.14487	13.7
455.35437	15.7
589.25134	17.2
607.25983	13.4
635.36603	8.2
645.52600	6.5
653.37085	17.3
845.49011	9.7
868.27344	6.4
931.50104	94.7
932.50342	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	933.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	0.9
69.03418	1.4
69.21175	8.0
69.21586	2.2
71.01379	32.1
72.99293	3.5
73.02954	7.8
78.50642	1.2
81.03453	1.4
83.01382	60.9
84.01719	1.8
85.02952	9.0
87.00872	2.2
89.02444	18.9
89.62908	1.0
93.03481	1.9
95.01398	3.3
95.05020	2.4
97.02945	2.1
97.06612	1.0
99.00903	1.1
99.04512	10.4
101.02435	15.3
107.05013	1.6
109.02933	2.1
109.06595	1.5
111.04507	3.2
113.02438	10.7
113.06096	3.1
119.03494	4.1
119.04977	1.1
121.02948	8.8
121.06574	2.5
122.03738	13.1
123.04542	12.0
124.01713	1.4
125.02461	1.7
125.06064	1.8
133.02962	2.6
135.04520	3.2
135.08138	1.6
136.01659	4.0
136.05258	4.0
137.02452	1.8
137.06091	12.2
139.04028	2.6
143.03453	1.2
147.04538	5.2
151.04013	5.1
152.04378	1.0
161.02461	8.0
161.04614	1.0
161.06091	3.0
162.06848	1.3
163.07613	3.5
163.75977	0.9
175.08023	1.1
176.08142	1.0
179.03502	1.9
179.05580	4.7
187.11227	2.0
187.14929	1.2
189.12813	7.8
203.10574	1.2
207.13895	10.5
209.08179	2.8
215.10712	1.2
221.08183	4.2
231.13882	3.7
233.11720	1.6
245.15608	1.6
247.13377	1.3
247.30345	1.4
251.12848	18.3
257.11868	2.3
268.63196	1.0
275.13022	7.1
289.14301	2.7
293.13947	3.3
298.11911	2.1
299.12741	1.1
313.14319	1.6
317.13876	15.6
335.15039	6.2
342.11081	4.6
343.11807	11.0
357.13416	56.7
358.13660	8.2
359.14145	1.4
395.17096	14.0
396.16974	1.1
575.23657	5.0
753.31165	100.0
754.31543	16.4
933.37573	67.1
934.37732	12.2
941.86047	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.37
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03459	1.1
69.24602	8.0
71.01377	61.7
73.02945	15.6
74.03310	1.1
81.03468	1.1
83.01384	37.8
85.02942	20.0
87.00875	1.4
89.02438	6.6
95.01374	3.8
97.02934	3.0
98.19939	1.9
99.00852	5.0
99.04503	1.3
101.02438	25.6
113.02435	16.6
114.02715	1.2
119.03516	2.1
121.02946	3.5
122.03722	5.7
123.04493	2.5
125.02445	2.7
133.02942	1.8
135.04564	1.3
136.05219	1.5
137.06087	5.6
139.11279	27.9
141.12846	3.1
143.03462	4.4
147.04478	3.4
159.03004	4.2
161.02411	2.8
161.04543	19.1
161.05904	2.5
169.12326	43.3
170.12677	2.4
179.05453	1.6
187.13353	6.9
203.05579	36.2
204.06125	1.3
209.08177	1.2
221.08226	2.3
237.14958	2.7
270.59418	1.2
313.16516	3.7
331.17542	21.6
332.18091	2.0
342.11041	5.0
357.13391	100.0
358.13760	6.3
373.18628	59.0
373.22400	0.7
374.18835	4.4
415.19974	1.1
417.21127	4.6
463.25360	1.1
500.42758	1.3
519.18555	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	939.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28233	1.3
67.99798	1.2
69.71983	5.8
69.72392	3.0
71.01385	32.5
72.01744	1.8
73.02937	9.1
75.17324	1.3
80.35769	1.3
83.01386	29.7
85.02956	14.5
87.33435	1.5
89.02461	7.9
95.01358	1.7
97.02907	1.3
98.20734	1.4
99.00880	5.3
99.04442	1.5
101.02446	26.6
113.02447	16.0
114.80408	1.3
119.03501	2.3
121.02898	3.5
122.03711	3.2
123.04520	2.1
137.06071	4.1
143.03497	1.9
147.04416	1.7
159.02975	3.7
160.84442	1.3
161.04572	12.6
179.05611	1.8
221.08165	2.8
237.14929	2.1
258.43704	1.4
274.20132	1.4
315.18066	18.7
333.19193	36.5
334.19324	3.3
342.10913	4.3
355.34070	1.5
357.13428	66.8
358.13666	6.2
375.20224	100.0
376.20499	6.4
417.21573	1.7
418.21854	2.4
519.18787	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	939.386
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23632	9.0
71.01378	29.0
73.02942	13.2
75.00858	1.9
83.01385	37.6
84.01728	1.2
85.02946	18.1
86.00074	1.1
87.00885	2.0
89.02428	4.9
90.61501	0.9
95.01378	3.2
98.19810	1.5
99.00867	4.4
101.02434	26.3
101.03099	1.8
111.00879	1.5
113.02441	15.7
119.03475	2.1
121.02927	4.1
122.03751	7.2
123.04539	1.9
125.02396	2.1
127.37854	1.1
133.02934	1.1
135.04456	1.2
136.05281	1.2
137.06049	3.5
143.03455	2.1
147.04514	3.2
159.02914	1.9
161.02460	2.3
161.04570	6.8
161.05690	1.2
179.05525	1.1
187.13324	2.9
209.08286	2.3
221.08234	2.5
313.14441	2.3
315.18106	31.9
316.18567	1.1
333.19165	50.9
334.19354	1.6
342.10947	4.3
357.13391	81.9
358.13821	7.2
375.20197	100.0
376.20383	6.7
519.18896	4.7
623.93298	1.1
645.27863	1.3
848.08282	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	4.2
71.01378	87.5
71.05032	0.4
71.53716	0.6
72.01725	0.9
72.99306	3.3
73.02942	100.0
74.03279	1.0
75.00863	2.4
78.15066	0.3
79.01893	0.5
81.03441	1.0
83.01384	33.5
83.05036	0.4
84.02208	0.5
85.02949	14.3
87.00871	2.4
87.04503	0.5
89.02439	18.5
93.03443	0.4
95.01380	4.7
97.02946	2.6
99.00860	1.4
99.04522	1.0
101.02438	97.7
102.02766	1.0
103.03934	0.4
107.05025	1.1
108.02171	4.5
109.02950	0.6
111.00896	0.6
113.02447	43.3
114.02802	0.8
117.01939	0.5
119.03490	12.3
123.04529	1.0
125.02444	4.5
125.87723	0.3
127.04045	0.4
131.03493	9.3
134.03709	1.5
135.04526	9.1
135.11784	0.6
136.05046	0.4
138.02859	0.3
139.11185	0.4
141.12805	1.7
143.03490	12.1
147.02992	0.9
149.04549	22.8
150.03094	0.4
150.04874	0.5
152.01129	0.6
153.05540	2.0
153.85886	0.4
155.03493	4.0
161.02385	0.8
161.04546	33.9
162.04886	0.5
165.05502	1.0
165.12791	1.2
167.10847	0.5
171.13916	5.5
179.05550	1.2
179.10681	0.6
181.12280	1.0
185.11816	24.3
186.12189	0.8
191.05684	0.9
199.13377	13.7
200.13754	0.8
203.05571	5.5
209.11818	2.6
221.06654	12.7
227.12878	21.2
228.13185	0.8
239.12762	0.8
257.14026	1.9
287.14938	1.1
297.09790	4.6
298.10092	0.5
315.10822	7.2
384.26913	0.4
413.21838	3.7
481.16916	0.5
482.17493	0.7
483.22565	5.9
657.47571	0.4
749.01965	0.4
940.64380	1.4
941.64929	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	941.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57288	0.7
69.03455	6.3
69.29156	6.6
71.01379	82.0
72.01707	0.7
72.23296	0.8
72.99300	4.8
73.02942	100.0
75.00859	2.3
81.03447	1.1
83.01385	32.7
85.02946	14.4
87.00870	3.0
87.04564	0.8
89.02439	22.9
95.01379	5.0
97.02969	1.9
97.06509	0.9
99.00874	2.1
101.02438	99.7
102.02728	0.9
107.05028	1.2
108.02170	4.3
109.06570	1.1
110.45107	0.7
113.02444	49.1
119.03494	17.5
125.02443	4.1
125.06128	1.0
127.07632	5.7
131.03497	12.3
135.04504	9.3
137.06096	3.5
139.11320	5.0
143.03491	13.3
145.02910	2.3
149.04536	26.3
153.05513	1.3
155.03503	3.6
155.07130	3.1
161.02393	3.1
161.04547	45.6
165.09253	1.0
179.05626	2.8
183.10243	24.1
183.11864	1.2
184.10628	0.9
191.05675	0.9
197.11816	8.4
203.05643	5.9
204.66541	0.7
207.10271	1.0
219.75316	0.8
221.06650	17.4
225.11288	13.7
248.21873	0.8
255.12340	1.6
285.13684	0.8
297.09885	5.5
309.80649	0.7
315.10773	7.8
405.48715	0.9
415.23306	7.6
431.43839	1.0
459.12793	1.3
481.20642	2.7
548.63513	0.9
784.82129	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06666	5.7
71.01380	20.1
71.05000	2.5
72.99293	2.3
73.02950	4.5
83.01388	3.3
85.02956	4.2
87.00874	6.5
89.02450	10.1
95.01370	2.3
97.02943	9.2
97.06612	2.2
99.00879	17.9
101.02428	10.8
109.06593	8.5
110.03711	2.3
113.02443	6.9
119.03493	2.1
122.81676	1.7
125.02425	6.2
125.09661	4.0
135.08073	1.5
142.02725	2.7
155.70886	1.5
161.04581	1.6
161.09657	1.6
163.11299	11.1
179.05603	2.0
181.12320	13.1
199.13329	2.6
207.10239	60.4
209.11774	1.7
225.11307	62.5
226.11565	2.7
235.08134	4.3
243.12364	21.4
254.85748	2.0
271.20663	8.6
272.03497	1.6
277.21689	59.1
278.21906	3.0
279.69510	1.5
299.19955	1.9
327.82181	1.5
379.12344	3.0
397.13403	17.5
415.14621	4.9
605.24512	22.9
606.24921	1.9
623.25745	8.0
641.22461	2.3
675.35242	2.2
738.23590	1.6
868.70819	2.0
883.46863	100.0
884.47125	16.2
943.45795	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	943.7025
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22557	0.4
69.22961	0.1
71.01395	0.0
88.98822	0.2
207.10217	0.1
225.11339	0.1
254.84648	0.1
277.21735	0.1
327.26523	0.1
377.28479	0.1
393.31564	0.2
423.32697	0.5
424.32718	0.1
469.33096	0.2
470.33688	0.2
471.34741	100.0
472.35101	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	944.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
67.26451	14.8
71.01375	48.0
81.65961	17.5
89.02457	37.6
98.19875	58.1
109.06567	36.7
125.02444	38.3
163.11330	23.9
164.11604	16.0
207.10287	100.0
208.10602	36.8
209.11728	81.0
212.33041	18.3
225.11328	27.3
255.23259	21.0
277.21622	98.1
278.21902	43.5
379.12045	25.2
397.13574	89.6
398.13803	37.1
884.46735	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.339
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48145	0.3
69.48554	0.7
71.01380	0.5
73.02951	0.3
83.01370	0.3
85.02954	0.2
93.03448	0.2
99.00877	0.2
101.02444	0.5
121.02955	1.5
122.03749	0.6
126.07287	0.1
147.04503	1.2
148.05290	100.0
149.05608	2.7
161.04543	0.2
163.07631	99.3
164.06665	0.3
164.07959	3.3
203.05585	0.4
356.12570	1.4
367.13892	1.1
371.14896	2.2
372.15469	0.2
505.75803	0.1
546.57971	0.1
646.44574	0.1
974.84973	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	945.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23409	8.5
71.01379	40.9
71.06165	1.0
72.99299	4.9
73.02940	2.4
79.05535	1.9
83.01383	100.0
84.01715	1.6
85.02946	12.3
87.00871	2.3
89.02446	23.4
91.99037	1.2
93.03455	2.1
95.01376	3.4
95.05018	3.7
99.00871	2.0
99.04496	3.6
101.02450	15.7
102.83782	1.0
107.05029	3.4
113.02441	12.1
119.03488	9.4
119.27814	1.0
120.05792	3.2
121.02946	22.9
121.03771	2.1
121.06639	1.7
122.63269	1.2
123.00864	3.4
123.04501	2.0
133.02946	2.4
133.06578	1.7
135.04488	2.7
136.05295	28.7
137.06017	2.3
138.03166	2.1
139.56825	1.0
143.03497	1.9
147.04518	1.1
147.08133	1.5
149.06041	1.3
157.06560	3.2
159.08109	1.7
159.11685	1.8
161.02411	3.8
161.04549	2.3
161.06026	1.6
161.09688	2.9
161.13322	9.5
162.02873	1.3
168.04283	8.7
169.10226	2.7
171.08083	2.8
172.08934	1.7
179.03494	1.4
179.05585	4.6
185.09741	2.3
185.13280	1.5
187.11278	54.8
188.11597	2.7
201.12860	1.4
205.12332	12.1
209.08119	1.1
211.11302	1.6
229.12277	4.4
231.10257	7.6
235.09645	1.8
247.13354	2.4
249.11320	9.6
255.10228	2.1
271.13455	1.7
273.11273	3.3
291.12289	5.2
315.12292	6.0
333.13260	2.5
349.16577	1.4
356.12665	11.8
357.13474	7.0
371.14963	92.3
372.15417	6.5
393.15546	15.3
395.54709	1.1
411.16864	5.1
428.80649	1.6
573.22009	3.0
656.66290	1.2
765.31256	92.5
766.31616	15.0
945.37500	42.9
946.37488	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	945.469
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	3.6
69.81409	1.3
70.08723	1.1
71.01379	85.1
71.52656	1.8
72.99304	1.7
73.02941	80.7
74.03294	2.3
75.00849	2.1
81.03433	1.8
83.01377	29.2
85.02944	25.1
87.00872	4.0
89.02438	22.8
95.01392	5.2
97.02959	2.8
99.00875	4.4
101.02436	97.4
113.02442	45.0
119.03496	13.9
125.02424	5.0
131.03473	10.0
135.04541	1.9
135.88245	1.1
137.29301	1.2
137.53117	1.1
143.03491	13.5
148.37300	1.1
149.04543	21.0
155.03503	3.3
157.08682	3.4
159.02995	3.3
161.02449	2.8
161.04541	41.7
179.05569	1.7
185.11804	100.0
186.12161	4.5
191.05646	1.4
203.05536	6.1
203.73402	1.2
209.15471	4.9
221.06612	13.8
222.65953	1.2
255.79750	1.4
319.13925	36.5
320.14362	2.8
353.19629	16.4
371.20676	30.1
372.20926	2.0
413.21759	84.6
414.22141	5.4
487.25375	2.8
488.25156	1.4
741.95306	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.6
71.01381	14.6
72.99290	1.1
73.02944	1.4
79.95694	0.7
80.02663	1.2
81.03456	1.6
83.01372	1.0
83.05022	3.6
84.02141	0.8
85.02953	3.6
87.00881	2.6
87.58463	0.9
89.02440	11.0
95.01394	0.9
96.95992	0.7
97.02943	1.9
101.02452	10.0
111.04514	0.8
113.02435	6.4
116.99059	0.7
119.03507	3.1
125.02416	4.7
143.03447	2.0
149.04549	0.7
161.04562	2.9
163.11296	3.8
165.12831	1.9
167.03394	0.6
179.05588	3.8
191.10753	1.1
199.06081	1.1
209.11810	100.0
210.12131	4.0
210.74274	0.6
214.70865	0.7
221.06621	0.9
227.12872	13.4
235.08234	4.1
236.62016	0.7
265.14923	0.9
277.21701	51.0
278.22021	3.5
287.07690	2.1
305.08859	1.3
323.10080	0.9
324.64023	0.8
367.01273	0.7
379.12411	10.7
397.13470	44.5
398.13831	1.7
415.14581	8.1
471.34796	55.9
472.35132	66.2
473.35468	16.4
488.52869	0.9
552.25726	0.8
589.24841	1.9
607.25909	1.8
657.35394	1.1
675.35406	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	945.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26781	5.7
69.59773	0.7
71.01380	12.5
72.99297	1.2
73.02943	1.8
77.20212	0.6
80.02669	1.4
81.03452	2.1
83.01389	1.5
83.05019	5.2
85.02938	3.3
87.00875	2.9
89.02435	10.9
95.01385	1.0
95.05021	0.8
97.02951	1.7
101.02442	9.2
113.02441	4.7
114.15421	0.6
119.03487	2.4
123.77468	0.7
124.01774	0.6
125.01633	0.6
125.02402	3.4
125.05956	1.0
143.03467	2.4
153.42732	0.7
154.84555	0.6
161.04550	1.9
163.11241	4.0
165.12831	1.9
169.04941	0.6
179.05602	2.7
181.12418	1.1
190.31319	0.6
191.10753	0.7
191.94449	0.6
209.11810	100.0
210.12144	4.4
221.06587	1.9
227.12871	11.0
235.08191	3.8
253.09212	1.0
277.21707	41.3
278.22043	2.4
287.07803	1.2
305.08640	1.8
323.09885	1.2
379.12363	9.8
397.13470	38.8
398.13766	1.6
415.14609	8.7
416.15359	1.1
471.34763	59.7
472.35110	69.2
473.35413	18.7
589.25055	3.0
607.25983	4.1
675.36261	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91039	44.5
71.01383	34.0
83.05039	19.8
89.02448	21.8
97.02924	24.7
98.20737	18.4
101.02453	34.9
109.06574	42.3
163.11241	24.1
207.10228	100.0
208.10553	61.9
209.11795	60.5
225.11256	44.1
226.11641	22.4
261.82388	16.4
277.21689	89.7
278.22012	45.4
397.13446	49.1
398.13831	22.8
399.13986	29.1
682.11261	18.0
816.78479	18.1
838.43353	20.0
885.47278	34.2
886.47729	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.464
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	46.1
85.02980	18.0
89.02442	23.7
97.02969	19.9
98.20754	33.2
109.06557	50.3
116.92812	24.3
144.12834	13.9
207.10179	100.0
208.10545	60.0
209.11829	25.3
225.11293	35.5
226.11626	27.7
229.36768	18.0
277.21768	84.4
277.48962	15.2
278.22052	57.8
279.22241	27.9
326.32520	15.7
338.40073	15.1
397.13516	50.0
398.13867	22.1
399.13879	23.7
415.14313	20.8
451.31927	31.0
453.33765	71.4
485.36249	47.7
593.00415	18.3
885.47729	32.3
886.47876	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.9
71.01379	40.1
71.65619	0.6
72.99304	3.7
73.02939	5.8
79.05471	0.7
81.03457	0.7
83.01383	59.7
83.04982	1.0
85.02948	9.7
87.00839	1.2
89.02442	25.3
93.03408	1.2
95.01398	3.5
95.04970	2.2
97.02898	1.8
97.06564	0.7
99.00845	1.3
99.03916	0.8
99.04508	10.3
100.01650	0.9
101.02437	17.7
107.04967	0.7
107.08630	1.0
109.06518	2.5
111.04456	2.7
113.02448	12.6
113.06023	3.1
119.03491	9.4
121.02952	15.6
121.06522	2.3
122.03764	1.0
123.00800	2.0
123.04518	4.4
125.02392	0.9
125.06084	0.8
131.03450	0.9
135.04456	1.1
135.08096	1.0
136.05293	17.2
137.02330	0.9
137.05980	1.0
138.03085	0.9
141.05432	0.9
143.03445	1.6
147.04417	0.9
149.06017	1.1
151.07556	1.1
161.02367	1.1
161.04552	1.6
161.05968	1.2
161.09651	0.7
163.07561	1.8
165.50523	0.7
168.04292	6.0
175.07613	0.7
177.09070	0.9
179.03523	1.2
179.05528	4.9
187.11192	2.2
187.14853	1.6
189.12856	6.4
193.12114	0.8
199.11203	0.9
207.13882	8.7
209.08025	0.8
213.12679	1.2
217.12262	2.3
231.13882	3.3
233.11751	2.1
235.09760	1.5
245.15382	0.9
247.13412	1.2
251.12846	21.4
255.13911	1.1
257.11816	3.8
273.14935	1.0
275.12863	6.6
289.14432	3.5
293.13892	4.8
299.13019	0.9
312.13550	0.8
317.13928	19.0
318.14163	1.0
334.16647	0.7
335.14911	7.3
356.12671	6.1
357.13416	6.9
371.14941	26.6
372.15207	3.1
377.15817	0.8
395.17035	17.6
396.17255	1.4
575.23389	5.7
767.32733	100.0
768.33148	11.9
947.39075	58.3
948.39087	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	948.48
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36493	36.1
82.20237	21.5
102.68833	17.9
209.11800	100.0
210.12161	44.9
211.12389	27.3
211.71494	20.4
277.21796	38.7
471.34641	90.2
472.35095	56.5
473.35190	46.3
474.35477	39.8
815.68793	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	948.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72932	24.3
89.02428	34.1
91.93714	24.8
93.57546	24.9
98.20764	44.3
119.31359	24.8
209.11781	100.0
276.54648	24.4
397.13312	53.1
471.34644	65.7
472.34766	59.3
473.35486	44.8
474.35651	34.6
475.36151	30.2
776.93896	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	0.3
70.94651	0.3
71.01376	10.8
72.99314	0.6
73.02938	7.9
83.01373	2.4
85.02946	2.8
87.00861	0.8
88.96322	0.4
89.02446	4.2
93.03504	0.4
97.45232	0.4
99.00889	0.5
101.01794	0.7
101.02430	9.5
107.05022	0.4
108.02165	29.6
109.02405	0.8
109.03046	0.6
113.02458	5.0
117.03463	1.1
119.03511	1.9
121.02952	0.7
123.04481	0.6
127.74435	0.4
131.03502	0.7
132.02176	1.5
133.02946	27.3
134.03680	2.9
135.04510	18.4
136.04840	0.9
137.02423	1.4
137.06042	0.4
139.04008	0.8
143.03482	0.6
145.02927	0.6
148.05289	0.5
149.02409	0.4
149.04526	1.5
149.06070	1.5
153.09175	1.3
157.45355	0.4
160.01721	0.4
161.02425	100.0
161.04567	4.8
162.02779	4.1
163.04001	0.6
177.05518	3.3
178.02722	0.6
178.05843	0.6
179.03477	15.0
179.05696	0.6
180.03847	1.2
181.05060	1.7
191.05540	1.0
203.03546	0.7
203.05540	1.1
205.12259	0.8
209.07788	0.4
221.04526	5.0
221.06644	1.2
223.06114	0.8
223.13315	0.5
251.05562	3.2
281.06686	4.8
339.06949	0.6
341.08731	1.7
349.16443	0.5
357.15744	0.5
367.17654	2.4
368.17944	0.4
369.15045	0.4
369.19165	0.8
383.17224	0.4
385.18576	0.5
394.20648	0.4
411.20358	2.5
412.20193	0.4
427.19690	3.9
428.19736	0.6
429.21097	3.2
430.21976	0.4
477.13953	89.0
478.14322	9.5
479.15424	15.8
480.15863	1.1
481.16992	2.4
621.18982	0.4
790.44843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80805	0.8
69.03451	1.0
69.16297	2.0
69.16695	8.6
71.01376	30.1
73.02946	11.9
75.00875	1.1
83.01386	6.4
85.02946	14.7
87.00873	2.2
89.02422	3.0
95.01377	2.3
97.41730	0.9
98.20638	2.0
99.00871	3.5
101.02438	32.0
101.03110	1.6
111.00925	2.3
113.01707	1.7
113.02440	15.0
121.02892	2.6
125.02422	1.7
133.02933	6.4
135.04495	4.2
143.03496	2.0
147.04553	1.3
153.12917	1.0
159.03011	4.2
161.02441	14.6
161.04529	16.2
162.02805	1.2
165.05553	2.8
171.13905	4.7
176.57025	0.8
179.03468	2.1
288.22931	0.9
315.18103	12.1
333.19159	39.5
334.19528	2.4
343.11874	1.0
356.12567	4.0
371.15063	4.9
372.24426	0.9
375.20193	100.0
376.20676	6.5
414.71811	1.0
436.60556	1.0
471.14093	1.0
623.19391	2.6
829.06073	1.1
944.63983	1.0
953.36383	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	953.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
67.08496	0.7
69.03454	1.2
71.01379	39.9
72.55332	0.7
72.99278	0.9
73.02942	17.7
80.95451	0.7
83.01381	8.2
83.05045	1.0
85.02950	15.4
87.00863	2.2
89.02434	11.5
93.03428	0.9
95.01387	2.8
97.02951	1.3
98.19886	1.9
99.00864	3.8
101.02442	25.0
110.50214	0.8
113.02439	14.3
117.03493	1.0
119.03479	4.6
125.02414	1.6
131.03510	1.7
132.02153	8.1
133.02927	1.8
134.03729	15.0
139.04073	1.1
143.03474	2.1
145.02942	2.3
149.04524	2.9
149.06001	1.6
157.08691	1.1
159.02969	2.1
160.01654	50.2
161.02335	2.0
161.04536	15.1
175.03984	59.3
176.04384	2.0
179.04121	0.6
179.05536	4.3
187.13393	1.8
193.05034	16.6
196.64148	0.8
203.05609	8.5
209.15479	1.4
221.06683	2.7
235.06041	0.9
264.12372	0.8
371.20697	9.4
389.11288	0.9
413.21771	29.8
413.27206	1.7
414.22278	1.8
495.18698	100.0
496.18970	8.5
519.43951	0.9
535.14478	2.9
620.89948	0.9
960.83820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	3.9
72.99310	0.6
73.02946	1.3
83.01378	0.5
85.02946	1.1
87.00861	0.5
89.02438	2.4
93.03459	0.4
95.01379	0.3
99.00912	0.3
101.02438	2.7
105.03452	0.5
107.05002	0.5
108.02171	32.6
109.02405	0.3
109.03025	0.4
109.42902	0.2
111.00913	0.2
113.02441	1.5
115.01905	0.3
117.03484	1.2
119.03499	1.1
121.02915	0.5
123.04523	0.6
124.01727	0.3
132.02132	1.5
133.02951	30.6
134.03806	2.2
135.04523	17.5
136.04849	0.4
137.02428	1.1
137.06104	0.4
139.04036	0.5
148.05249	0.4
149.04938	0.2
149.06084	1.9
150.03221	0.5
151.04012	0.4
153.09172	0.2
159.02950	0.3
160.01683	0.5
161.02431	100.0
162.02774	4.0
175.03912	0.3
177.04106	0.3
177.05531	4.1
178.02684	0.7
179.03487	16.6
180.03819	0.8
181.05063	1.4
194.02113	0.3
203.03558	0.5
221.04547	5.5
221.06580	0.2
222.04910	0.2
223.06107	0.3
251.05594	3.8
281.06641	6.7
339.07208	0.5
341.08734	2.1
350.99582	0.2
367.09982	0.3
368.17661	0.3
411.20319	0.3
427.19534	0.5
429.21060	0.7
433.15262	0.3
477.13977	98.3
478.14246	8.2
479.15274	1.4
480.15701	0.9
481.17084	10.1
482.17432	1.0
483.17795	0.5
498.98761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
68.23508	0.1
69.03461	0.2
69.16454	0.1
69.16867	0.7
71.01376	2.2
72.99289	0.1
73.02941	1.6
81.03448	0.2
83.01386	1.6
85.02950	0.5
89.02442	0.3
95.01352	0.1
97.02953	0.2
98.19930	0.2
101.02433	1.2
113.02437	0.8
119.03503	0.1
121.02933	0.2
122.03740	0.2
123.04539	0.2
125.02441	0.4
125.03250	0.1
129.09409	0.1
132.11006	0.1
133.02977	0.1
133.78716	0.1
137.06091	0.1
141.11832	0.1
141.12837	1.3
143.03496	0.6
147.04539	0.1
149.02319	0.1
151.11223	0.1
155.03503	0.2
160.86545	0.1
161.02493	0.5
161.04561	0.4
161.05894	0.1
167.03413	0.1
169.12317	0.6
171.13870	0.8
179.03461	0.1
181.12390	0.2
183.39905	0.1
185.11835	0.7
187.13376	100.0
188.13719	3.7
199.13246	0.2
201.14941	5.5
202.15231	0.2
203.05580	0.7
221.08345	0.1
229.14412	2.4
230.14609	0.1
241.14412	0.3
259.15378	0.2
271.15527	0.2
273.08121	0.1
283.15564	0.1
328.93509	0.1
331.17740	0.1
342.11008	0.1
357.13382	3.0
358.13727	0.2
373.18530	0.2
391.19717	0.4
478.14731	0.1
519.18347	0.2
532.67584	0.1
537.23303	0.2
549.13660	0.1
991.15851	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	958.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06524	100.0
81.77138	52.4
105.34940	48.3
382.77649	50.2
391.07468	50.6
391.69073	55.2
455.35303	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	28.6
72.01691	0.7
72.99297	1.1
73.02942	8.0
83.01376	3.1
85.02946	14.5
87.00846	0.8
87.04507	2.7
89.02429	9.3
95.01379	3.3
95.17413	0.8
97.02924	1.0
98.19868	1.7
99.00853	3.9
99.04526	0.8
101.02439	16.0
111.04491	0.9
113.02445	18.2
113.41193	0.7
119.03478	3.1
121.27580	0.7
125.02449	0.9
131.03471	1.3
135.74155	0.6
143.03517	0.9
159.02950	2.0
161.02451	1.2
161.04539	8.8
179.05673	0.7
198.09477	0.8
202.47330	0.7
210.04823	0.7
229.76161	0.7
230.28293	1.6
249.01619	0.8
255.19701	1.2
371.20667	2.6
397.22287	2.9
398.22562	1.8
399.23837	100.0
400.24158	9.7
413.21768	12.1
414.22031	1.0
417.24966	16.3
418.24921	1.4
457.24426	1.4
458.24503	1.4
459.25958	69.1
460.26404	6.5
461.26910	0.9
627.96112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98533	1.1
69.03451	4.4
71.01373	97.2
72.99298	4.3
73.02940	79.4
75.00872	3.6
80.31795	1.0
81.03442	1.8
83.01382	25.6
85.02944	24.1
87.00876	4.4
89.02440	46.7
89.31088	1.1
93.03462	1.4
95.01382	8.4
97.02924	4.1
97.06575	1.8
99.00864	4.3
101.02437	100.0
102.02767	2.0
104.01360	1.1
108.02165	4.3
113.02438	63.4
119.03488	32.8
123.04506	1.3
125.02451	3.7
129.01961	1.9
131.03494	10.3
133.02960	1.7
135.04488	8.6
143.03485	14.7
145.02940	3.3
149.04549	19.9
149.09695	5.5
150.04803	1.3
153.05579	3.8
155.03506	2.0
159.02968	8.1
161.02432	2.7
161.04536	54.9
165.12717	1.4
171.13835	2.6
179.03857	1.4
179.05602	18.3
185.11804	17.2
191.05629	2.8
199.13379	9.6
201.42885	1.3
203.05627	4.9
217.15912	2.2
221.06613	10.2
227.12872	13.2
237.18507	1.9
257.13989	2.1
287.14911	1.4
294.34991	1.2
297.09729	2.5
311.14923	2.2
315.10852	6.8
343.11969	2.5
367.21350	1.5
393.06741	1.1
397.22278	63.0
398.22549	5.1
415.23358	26.0
416.23682	2.0
457.24414	54.4
458.24875	3.5
483.22226	12.2
500.22583	1.7
501.22934	3.2
562.58929	1.2
615.65112	1.4
622.08685	1.3
990.86975	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	32.6
71.52441	2.2
72.99286	1.6
73.02938	11.3
83.01376	63.2
85.02959	12.3
87.00843	2.8
87.85202	1.4
89.02422	9.8
91.76213	1.4
95.01368	1.7
96.96010	3.5
99.00867	3.2
101.02448	22.2
109.02950	1.9
113.02435	22.0
119.03487	4.1
121.02972	9.0
122.03722	13.0
123.04513	6.9
124.01617	1.5
125.02431	5.3
133.02936	5.2
135.04506	10.2
136.01624	10.6
136.04890	2.1
137.02441	2.9
137.06100	8.1
143.03467	4.8
145.06659	1.7
147.04503	6.0
151.04012	8.2
154.02744	1.9
161.02455	12.1
161.04536	13.6
161.05931	3.2
162.02783	2.9
179.03426	9.2
180.03932	2.3
195.13841	14.2
209.08186	2.8
213.14960	6.4
221.08253	2.3
233.93216	1.5
313.14603	2.3
342.11057	6.5
357.13361	74.7
357.19052	18.2
358.13837	3.1
371.27188	1.5
375.15613	2.7
375.20169	34.9
376.20639	2.4
381.19055	1.9
399.20215	13.6
417.21246	100.0
418.21506	4.9
437.26462	1.5
441.21329	2.7
459.22394	4.0
483.22348	2.0
501.23624	2.5
513.23145	2.7
519.18219	2.8
561.25391	5.7
569.20410	1.7
733.57861	1.6
919.39972	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	966.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13368	29.5
69.13782	100.0
77.32692	11.4
105.48586	12.3
121.02923	11.3
133.03020	14.7
139.09094	12.2
161.02396	28.7
221.14851	11.5
340.85687	11.2
400.99838	12.0
453.33432	23.2
471.34647	46.7
472.35242	18.4
965.68042	37.6
966.68890	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.2
69.20174	2.6
71.01379	0.7
75.10569	0.2
80.72906	0.2
81.03433	0.4
83.01360	0.3
89.02436	0.3
93.03450	5.3
95.01384	0.8
95.05010	0.6
101.02420	0.3
105.03454	0.7
107.05022	0.4
108.02165	1.1
109.02946	2.3
121.02939	7.1
121.03767	0.5
122.03737	16.1
123.00922	0.5
123.04578	1.5
124.01662	1.0
125.02403	0.4
131.04996	0.3
132.02144	1.1
133.02940	2.9
134.03729	3.7
135.04576	1.4
136.01651	6.8
137.02444	6.9
137.06001	0.2
138.03091	0.4
139.04002	0.5
145.02951	1.0
146.03731	1.6
147.04514	1.3
148.01625	0.4
149.02432	33.9
149.06044	4.4
150.03210	100.0
151.00357	2.8
151.04007	16.4
152.01108	1.0
152.04781	1.2
153.01901	0.9
153.05504	0.4
159.04453	0.3
161.02390	1.7
161.06085	1.0
162.03207	1.8
163.03992	0.8
164.04771	7.6
165.05551	87.0
166.02705	8.3
166.05875	2.3
167.03551	1.2
168.04172	0.4
174.11703	0.2
175.03960	0.9
176.04732	0.5
177.01875	1.0
177.05571	3.9
178.02708	1.0
179.03490	1.5
179.07112	6.5
180.04256	6.5
180.07480	0.4
181.05051	11.1
182.05373	0.3
184.03662	0.5
187.04016	1.2
189.05550	0.3
190.02692	0.4
190.06282	0.6
191.03477	0.8
192.04248	0.8
193.05022	1.7
195.06602	31.8
196.06950	0.6
202.06261	0.4
205.05031	3.2
206.05646	0.5
207.06570	1.0
219.06628	1.5
220.07381	2.7
221.08109	0.4
233.08331	0.3
297.07706	0.4
314.07910	0.4
315.08701	1.2
329.10297	1.5
341.10226	0.4
355.11957	0.5
357.13553	0.4
372.12326	0.4
381.24231	0.3
386.13406	0.4
387.10593	0.9
387.14960	1.4
388.11276	0.3
402.13193	0.8
403.13721	0.6
416.14523	0.7
417.15485	5.5
418.16016	0.5
520.17468	0.4
535.15253	1.5
536.16656	0.4
549.17499	0.4
550.18292	1.7
551.18854	0.7
564.20239	1.6
565.20697	16.8
566.21100	1.5
583.22076	0.4
595.21838	2.7
596.22064	0.3
612.21869	0.9
613.22815	10.8
614.23358	0.7
619.21741	1.3
649.23309	0.4
667.24158	1.6
685.25061	0.5
713.25983	12.7
714.26190	2.0
725.25916	0.6
743.26978	7.7
744.27423	1.2
757.69037	0.3
761.28046	19.5
762.28290	2.9
773.27563	2.2
791.29095	5.7
792.29138	0.8
809.30139	24.8
810.16858	0.5
810.30646	4.2
1007.39777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.6
71.53341	0.4
76.69337	0.3
78.26663	0.2
83.01395	0.9
85.02981	0.5
89.02444	0.4
93.03452	3.9
95.01396	0.8
95.05036	0.6
99.69688	0.3
101.02440	0.7
101.65413	0.2
105.03496	0.5
108.02184	0.8
109.02968	1.1
113.02467	0.4
115.95537	0.3
121.02953	5.4
122.03740	15.3
123.00892	1.0
123.04507	1.2
124.01678	0.8
125.02425	0.3
133.02934	2.6
133.40434	0.3
134.03734	1.3
135.04524	0.9
136.01651	3.2
137.02457	3.5
139.03989	0.6
145.02939	0.4
146.03754	1.3
147.04494	0.6
149.02435	22.2
149.06081	1.1
150.03220	100.0
151.00360	2.0
151.04010	6.5
152.01186	0.5
152.04788	0.5
153.05612	0.3
161.02426	0.9
161.06079	0.7
162.03236	1.2
163.03998	0.4
164.04762	4.5
165.05562	90.0
166.02708	5.0
166.05856	2.7
167.03526	0.6
175.03973	1.0
177.05531	1.4
179.03508	0.6
179.07129	4.7
180.04265	6.4
181.05048	8.3
185.91167	0.3
187.04013	0.6
191.03540	0.5
192.04295	0.7
195.06610	47.7
196.06895	1.9
205.05055	1.9
207.06531	0.3
219.06581	1.1
220.07390	1.4
296.18259	0.3
329.10367	0.7
341.10193	0.4
357.09793	0.5
371.14838	0.6
372.12024	0.3
386.14154	0.3
387.10727	1.0
387.15140	1.6
402.13013	0.8
416.14697	0.4
417.15573	6.5
418.15811	0.7
421.14890	0.5
535.18018	0.4
550.18353	0.4
565.20740	10.8
566.21069	1.1
583.21631	0.7
595.21735	2.9
612.21753	0.6
613.22913	10.2
614.23059	1.2
667.23553	1.9
668.24817	0.4
713.25854	2.3
714.25818	0.3
743.27228	1.9
761.28064	8.8
762.28479	1.1
773.28278	0.6
791.29187	3.4
792.28821	0.7
809.30255	20.1
810.30652	3.4
971.33856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
68.36963	0.4
70.50697	0.4
70.52833	0.9
71.01381	1.0
73.02918	0.3
79.25529	0.4
83.01394	1.4
85.02966	0.4
87.25555	0.3
89.02441	0.5
93.03452	4.9
95.01413	0.8
95.05034	0.4
101.02438	0.6
105.03459	0.5
109.02959	1.4
121.02950	6.1
122.03738	15.0
123.00881	0.6
123.04470	0.9
124.01652	0.5
132.02171	0.4
133.02968	2.0
134.03726	1.4
135.04575	0.8
136.01631	3.9
137.02426	4.1
138.03197	0.6
139.04031	0.5
145.02969	0.5
146.03693	1.4
147.04504	0.6
149.02434	22.3
149.06091	1.4
150.03217	100.0
151.00436	2.1
151.04016	7.2
152.01079	0.4
152.04785	0.9
153.02000	0.5
161.02446	0.9
161.06119	1.1
162.03259	1.1
164.04794	4.9
165.05554	92.4
166.02715	6.5
166.05856	2.3
167.03419	0.7
175.03979	0.9
177.05521	1.1
178.02718	0.4
179.03485	0.7
179.07129	4.6
180.04276	5.9
181.05048	8.1
181.71060	0.3
187.04012	0.5
191.03519	0.4
192.04214	0.5
193.05028	0.7
195.06607	46.6
196.06973	1.4
205.05077	2.0
207.06577	0.7
219.06665	0.9
220.07320	1.3
285.80026	0.4
286.03296	0.3
315.08786	0.6
316.72388	0.3
329.10147	0.5
369.13550	0.4
371.14893	1.6
387.10150	0.6
387.14880	1.9
402.13000	0.7
403.13745	0.4
417.15527	6.3
418.15579	0.6
421.14960	0.8
458.67349	0.4
550.18970	0.5
565.20660	10.8
566.20844	1.1
583.21747	0.4
594.77625	0.4
595.21765	2.1
613.12939	0.6
613.22864	11.9
614.23114	1.1
624.26428	0.4
667.23529	1.3
713.25977	2.2
743.27124	1.9
744.28320	0.4
761.27863	7.9
762.28467	1.2
773.27972	0.7
791.29309	3.9
792.29456	0.9
809.30286	22.2
810.30206	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	975.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77699	1.2
71.01373	2.7
72.99281	0.5
73.02944	1.6
81.03451	0.6
83.01376	0.4
85.02945	6.6
87.00865	2.5
89.02444	0.7
93.03436	2.9
95.04993	0.4
98.20617	0.6
99.04514	0.3
101.02415	2.1
103.03999	0.6
105.03461	0.8
108.02174	0.3
109.02943	3.5
111.00870	0.8
111.04514	0.6
113.02445	0.5
115.03992	0.4
117.03488	0.7
121.02962	0.6
122.03748	0.6
123.04523	3.6
125.02526	0.5
127.04002	2.1
131.03459	0.3
132.02133	1.8
133.02946	29.3
134.03830	1.9
135.04517	36.2
136.04767	0.6
137.02425	1.1
139.04010	0.3
140.48270	0.3
143.03470	0.6
147.04492	1.2
148.05270	1.0
149.02461	1.4
149.06059	3.9
150.03200	3.8
151.03995	8.9
159.04469	0.4
161.02428	89.9
162.02788	2.7
163.06107	0.3
171.03035	0.4
173.04514	1.7
174.03160	0.6
175.03966	5.1
175.78703	0.3
177.05553	5.8
179.03477	25.8
180.03818	0.8
187.04132	0.3
189.05582	0.8
191.05592	87.2
192.05931	2.1
193.05098	0.4
193.38194	0.2
203.03479	14.8
204.03784	0.4
205.05116	0.4
205.07071	0.3
207.06644	0.5
215.03325	0.3
220.96349	0.3
221.04509	3.6
224.65070	0.3
233.04559	1.1
245.04550	0.5
251.05605	0.6
271.02502	0.5
300.02676	0.8
301.03470	0.3
353.08728	14.3
354.08984	0.6
367.17654	0.4
397.10974	0.5
427.12436	2.1
427.20007	0.3
441.14130	0.4
459.14890	0.5
463.08533	0.6
468.03766	0.4
469.13431	1.1
487.14557	20.3
488.14725	1.3
566.92468	0.3
621.18176	100.0
622.18445	9.0
624.10907	0.3
679.45148	0.3
771.50311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93554	0.6
69.03468	3.2
71.01379	73.6
72.01711	0.8
72.99311	3.7
73.02942	72.5
73.23535	0.6
74.03249	0.7
75.00882	2.2
83.01382	46.4
85.02950	17.2
85.03468	1.0
87.00882	2.2
89.02442	25.1
95.01390	6.5
97.02946	2.6
98.20743	1.7
99.00881	2.2
99.04537	0.6
99.53719	0.7
101.02438	100.0
102.02775	1.0
113.02444	54.0
114.02783	1.0
119.03497	17.3
121.02954	2.9
121.06599	2.3
122.03738	4.7
123.04512	3.2
124.01553	0.9
125.02444	4.1
127.03957	0.6
131.03487	11.4
136.05299	0.8
137.06096	3.5
137.09718	20.0
143.03487	13.2
147.03026	1.6
147.04483	2.7
149.04538	29.2
149.09741	0.6
155.03477	3.1
160.95450	0.6
161.02429	1.6
161.04544	51.5
162.04851	1.0
162.06868	0.9
179.05588	1.7
187.13420	0.9
189.12859	4.7
191.05574	1.2
203.05571	7.2
207.13927	1.1
209.08200	1.7
221.06551	18.2
256.15244	0.6
313.14594	1.1
342.10938	4.6
357.13403	77.1
358.13690	5.8
411.20221	9.4
490.43289	0.6
519.18561	4.0
999.73431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	3.4
69.14810	4.2
71.01379	67.6
72.01722	0.6
72.99304	2.9
73.02943	100.0
74.03273	0.8
75.00863	1.8
81.03468	0.8
82.94952	0.4
83.01382	49.2
84.01701	0.9
85.02946	7.5
87.00880	1.8
89.02441	14.5
93.03474	0.5
95.01396	2.4
97.02953	1.6
99.00899	0.9
99.04536	0.5
101.02438	86.5
102.02787	0.9
111.00874	0.5
113.02447	27.8
117.01946	0.4
119.03501	9.9
120.03875	0.4
121.02953	2.9
122.03751	3.8
123.04501	1.9
125.02441	4.2
131.03497	9.4
136.05284	1.1
137.06082	4.1
143.03496	10.2
147.02975	0.9
147.04514	1.7
149.04546	18.5
155.03470	2.1
161.04552	34.3
161.05875	1.2
168.04283	0.6
189.12830	3.3
191.05589	0.6
198.40742	0.4
203.05612	4.4
209.08092	1.0
219.79774	0.4
221.06537	9.2
221.08096	1.1
229.09601	0.4
288.24374	0.4
313.14474	0.6
342.10956	3.1
357.13409	65.3
358.13672	4.8
367.49405	0.4
502.54868	0.4
519.18549	3.8
520.18872	0.6
555.20935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	5.5
71.01381	40.6
72.99294	0.8
73.02940	8.4
81.03460	2.6
83.01384	100.0
84.01709	1.6
85.02948	11.7
87.00873	3.2
89.02456	4.1
93.03467	3.0
95.01387	2.8
97.02936	8.6
98.20666	1.9
99.00883	8.2
101.01798	1.4
101.02444	22.2
109.02977	0.9
111.00883	3.4
112.01688	1.4
113.02441	16.6
119.03497	1.2
121.02953	33.8
123.00861	6.1
123.04536	0.9
124.01679	8.8
125.02444	59.8
126.02737	1.3
129.01801	1.2
133.02948	2.1
135.04536	2.6
136.05292	27.5
137.02414	1.2
137.05870	0.8
138.03181	1.4
140.01085	1.1
141.01906	5.2
142.02713	9.6
143.03490	3.5
147.04498	1.7
149.51761	0.8
151.04021	1.2
151.07945	0.8
159.03020	0.9
161.02420	4.6
161.04533	4.6
161.05812	1.0
168.04280	12.7
179.03409	1.2
179.05623	1.1
199.99350	0.9
206.10378	0.8
235.09634	1.5
325.20474	1.1
355.21155	5.3
356.12549	16.3
357.12970	2.8
371.14969	66.1
372.15350	4.9
373.22324	16.8
397.22336	5.4
415.23361	24.3
416.23715	1.7
439.23322	3.3
457.24243	5.5
463.23032	1.4
481.24350	5.3
499.25388	13.4
517.26392	13.9
523.25269	2.7
541.26648	6.3
549.94031	1.0
550.98199	0.9
559.27563	28.5
560.27728	2.4
649.39471	6.5
649.89221	2.2
650.39825	3.7
674.29138	1.0
690.70325	0.9
871.41333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6923
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23345	0.4
69.23780	0.3
71.01368	0.2
85.02942	0.1
86.81788	0.1
88.05875	0.1
89.02413	0.1
98.20863	0.1
101.02467	0.1
109.06542	0.1
133.02895	0.1
155.14220	0.1
163.11241	0.1
193.83656	0.1
197.11832	0.1
207.10258	0.3
209.11873	0.4
225.11316	0.1
275.39740	0.1
278.35233	0.1
307.19110	0.2
309.20538	0.2
334.33911	0.1
397.13437	0.2
409.31076	0.2
415.14499	0.1
487.34222	100.0
488.34579	8.4
609.34076	0.1
915.46539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33221	100.0
97.89751	51.0
98.20552	66.7
98.38883	52.2
104.49358	52.4
173.95177	47.5
180.45303	50.5
297.29553	49.2
337.60550	45.5
390.00232	56.2
696.49689	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27334	0.7
73.02947	0.8
81.03454	0.4
83.01324	0.2
85.02944	4.5
87.00868	1.6
89.02451	0.7
93.03452	3.0
95.05000	0.2
97.02984	0.3
99.04539	0.3
101.02432	1.4
103.04006	0.7
103.69118	0.2
105.03452	0.7
107.05042	0.3
108.02158	0.5
109.02945	2.2
111.00858	0.4
111.04506	0.7
113.02465	0.4
115.04057	0.2
117.03458	0.7
119.03512	0.3
119.05020	1.1
121.02958	0.3
122.03709	0.5
123.04518	6.3
124.04813	0.2
125.02443	0.7
127.03996	1.6
131.03461	0.3
132.02167	1.5
133.02951	27.4
134.03679	0.9
135.04518	21.5
136.04860	0.4
137.02457	0.7
143.03539	0.5
145.02921	0.6
147.04475	0.3
148.05312	0.4
149.02431	1.2
149.06073	1.3
150.03217	5.0
151.04007	13.8
152.04306	0.3
161.02431	81.3
162.02776	2.2
163.03996	0.9
163.06104	0.5
171.02992	0.3
173.04588	1.1
173.05856	0.2
175.03966	1.4
177.05537	2.4
179.03482	18.9
180.03806	0.5
189.05490	0.5
191.05597	63.2
192.05940	1.5
193.05104	0.6
203.03491	6.6
204.03809	0.3
205.05096	0.3
205.06990	0.4
221.04530	1.5
233.04501	0.7
251.05649	0.3
319.54480	0.2
335.40131	0.2
337.09238	11.2
338.09674	0.6
367.10303	0.5
427.12259	0.7
440.74960	0.2
441.13699	0.2
444.41891	0.2
459.14798	0.5
469.13211	0.3
477.15918	0.4
487.14603	1.9
529.15314	1.9
621.18188	13.8
622.18652	1.0
623.20483	0.3
639.19226	100.0
640.19556	7.4
997.90808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.5
70.99005	1.3
70.99349	1.6
71.01379	43.3
72.99303	2.5
73.02943	20.2
83.01379	8.5
85.02944	18.0
87.00872	4.2
89.02440	10.5
93.03465	3.5
95.01383	5.3
96.96007	1.1
97.02941	3.9
99.00863	4.1
101.01794	2.1
101.02434	28.6
109.02979	1.4
109.04150	1.0
113.02444	28.2
119.03494	3.8
121.02949	28.3
121.08315	1.0
125.02443	5.9
132.68491	1.0
133.02928	2.2
135.04504	2.9
136.01711	2.4
143.03517	4.8
151.03929	1.9
155.03523	1.2
159.02995	2.4
161.02460	5.7
161.04530	21.6
179.03552	1.3
195.13884	21.3
203.05602	2.3
209.12004	1.3
209.15492	1.4
213.14922	8.2
223.85138	0.9
237.11453	1.4
237.14955	2.4
356.12598	35.6
357.13086	2.4
357.19150	32.3
371.14963	62.3
372.15274	4.0
375.20169	41.6
376.20731	1.6
399.15439	1.9
399.20245	22.3
417.21265	100.0
418.21609	5.1
441.21115	1.6
459.22543	5.1
483.22430	2.9
501.23605	1.4
519.24329	2.0
561.25568	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	977.401
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	1.9
69.28365	0.6
71.01378	43.3
71.53272	0.9
72.99301	1.4
73.02564	1.0
73.02948	18.0
81.03442	0.9
83.01384	65.8
84.01719	0.7
85.02457	1.1
85.02948	17.1
87.00394	0.6
87.00846	3.5
88.98817	6.1
89.02444	11.1
93.03442	1.5
95.01395	5.2
96.96030	0.8
97.02938	2.7
99.00885	4.9
101.02437	31.2
109.02933	0.9
113.02451	27.2
116.92890	0.8
119.03493	5.1
121.02959	19.0
123.00890	2.5
124.01685	1.7
125.02444	8.0
131.03459	1.1
133.02994	1.7
135.04506	1.3
136.01695	0.8
136.05287	16.9
138.03206	1.8
143.03496	5.7
147.04527	0.9
149.04483	0.9
159.02953	1.8
161.02565	3.5
161.04544	19.1
161.05882	1.3
168.04291	8.4
179.03516	1.5
183.13834	0.8
195.13876	19.2
203.05591	2.6
209.15385	1.1
213.14940	7.0
218.40154	0.7
235.09663	1.5
237.14944	2.0
356.12570	6.5
357.13254	1.9
357.19141	30.6
358.19431	1.8
371.14972	79.0
372.15234	7.2
375.20224	42.6
375.27310	0.9
376.20432	1.4
381.19119	1.4
399.20230	19.5
400.20615	1.4
417.21280	100.0
418.21512	6.5
441.21350	1.5
459.22165	5.3
471.22183	0.9
475.43509	1.0
483.22345	3.2
501.23499	1.1
513.23297	2.3
519.24780	2.3
561.25684	3.0
644.25067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38598	1.1
69.39004	0.4
71.01369	2.2
72.99300	0.3
73.02942	1.6
78.76411	0.2
81.03448	0.2
83.01377	0.5
85.02937	0.9
87.00877	1.0
87.04491	0.3
88.10562	0.2
89.02426	1.0
89.03940	0.3
89.14435	0.2
93.03424	0.3
95.01385	0.2
96.96024	0.5
97.02917	0.4
99.00916	0.2
101.02435	2.1
103.03977	0.5
105.03439	0.8
107.05051	0.4
108.02171	0.6
108.24458	0.2
109.02942	3.6
111.00886	1.1
113.02443	0.3
115.01913	0.2
117.03476	1.1
119.03461	0.3
119.04995	0.3
121.02973	0.9
121.06601	0.2
122.03750	0.5
123.04524	4.7
125.02391	0.6
129.03459	0.2
131.03506	0.5
132.02190	2.0
133.02945	34.5
134.03801	2.5
135.04509	40.7
136.01627	1.5
136.04855	1.0
137.02446	1.6
139.03998	0.4
141.01982	0.2
143.03470	0.7
145.05003	0.3
147.04498	1.3
148.05316	1.3
149.02449	1.3
149.06053	4.4
150.03198	4.3
151.00441	0.2
151.03993	10.0
158.03642	0.3
159.04427	0.4
160.01723	0.3
161.02423	97.1
162.02756	3.0
163.04036	0.5
163.06059	0.4
166.01036	0.2
174.03178	0.6
175.03987	5.6
177.05554	6.8
178.02731	0.2
179.03473	28.8
180.03822	0.7
189.05504	0.7
191.05505	0.2
193.04985	0.5
201.05472	0.2
203.03471	16.3
204.03770	0.7
205.05049	0.3
205.07036	0.5
207.06573	0.7
215.03429	0.3
221.04533	3.7
233.04492	1.6
245.04485	0.3
251.05638	1.0
289.09381	0.2
338.45438	0.2
345.97644	0.2
350.14954	0.2
356.12671	0.2
357.13455	0.4
367.10269	0.3
371.15118	0.7
397.11206	0.6
427.12384	3.7
459.14923	1.1
461.90945	0.2
469.13464	1.5
470.13702	0.2
487.14517	22.6
488.14929	1.9
621.18152	100.0
622.18439	8.4
942.54108	0.2
979.31805	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	979.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24319	1.8
71.01376	3.1
72.99277	0.3
73.02942	1.0
83.01403	0.7
85.02954	1.7
87.00883	1.1
89.02448	0.9
89.03956	0.3
91.05556	0.4
93.03457	0.6
95.01392	0.5
95.05049	0.3
96.95961	0.3
97.02958	0.4
99.00851	0.3
101.02437	1.7
101.97858	0.2
102.80122	0.2
103.03993	0.3
104.02686	0.3
105.03455	0.9
106.04219	0.3
107.05009	0.7
108.02139	0.5
109.02944	2.6
111.00880	0.8
113.02443	1.9
115.01997	0.2
117.03461	0.7
119.05050	0.3
121.02930	0.9
122.03707	1.0
123.04517	6.1
125.02436	0.4
131.03487	0.3
132.02161	2.4
133.02948	36.8
134.03773	3.0
135.04510	43.8
136.01645	1.5
136.04828	0.8
137.02419	1.0
139.04010	0.6
143.03497	0.7
146.03720	0.2
147.04494	1.0
148.05269	0.7
149.02420	1.3
149.06042	3.2
150.03215	5.6
151.03999	11.6
152.04414	0.3
159.04478	0.4
161.02426	100.0
162.02769	2.7
163.04021	0.5
163.06087	0.5
167.01733	0.2
173.06050	0.2
174.03139	0.4
175.04007	3.6
177.05539	4.6
179.03482	37.9
180.03815	1.0
187.03989	0.2
189.05553	0.8
191.03635	0.3
191.05486	0.3
193.05049	0.4
203.03470	10.9
204.03889	0.2
205.05045	0.2
205.07115	0.4
207.06590	0.6
215.03427	0.4
217.20587	0.2
219.06544	0.3
221.04558	2.9
233.04536	0.9
251.05525	0.4
252.43404	0.2
354.45798	0.2
357.13248	0.5
397.10892	0.3
427.12308	2.0
441.14120	0.4
459.15164	1.5
469.13370	1.2
477.30844	0.3
487.14545	16.6
488.14767	0.8
621.18170	98.8
622.18475	8.6
696.62061	0.3
817.28571	0.4
979.31842	4.3
980.31854	0.6
1009.28619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24319	1.8
71.01376	3.1
72.99277	0.3
73.02942	1.0
83.01403	0.7
85.02954	1.7
87.00883	1.1
89.02448	0.9
89.03956	0.3
91.05556	0.4
93.03457	0.6
95.01392	0.5
95.05049	0.3
96.95961	0.3
97.02958	0.4
99.00851	0.3
101.02437	1.7
101.97858	0.2
102.80122	0.2
103.03993	0.3
104.02686	0.3
105.03455	0.9
106.04219	0.3
107.05009	0.7
108.02139	0.5
109.02944	2.6
111.00880	0.8
113.02443	1.9
115.01997	0.2
117.03461	0.7
119.05050	0.3
121.02930	0.9
122.03707	1.0
123.04517	6.1
125.02436	0.4
131.03487	0.3
132.02161	2.4
133.02948	36.8
134.03773	3.0
135.04510	43.8
136.01645	1.5
136.04828	0.8
137.02419	1.0
139.04010	0.6
143.03497	0.7
146.03720	0.2
147.04494	1.0
148.05269	0.7
149.02420	1.3
149.06042	3.2
150.03215	5.6
151.03999	11.6
152.04414	0.3
159.04478	0.4
161.02426	100.0
162.02769	2.7
163.04021	0.5
163.06087	0.5
167.01733	0.2
173.06050	0.2
174.03139	0.4
175.04007	3.6
177.05539	4.6
179.03482	37.9
180.03815	1.0
187.03989	0.2
189.05553	0.8
191.03635	0.3
191.05486	0.3
193.05049	0.4
203.03470	10.9
204.03889	0.2
205.05045	0.2
205.07115	0.4
207.06590	0.6
215.03427	0.4
217.20587	0.2
219.06544	0.3
221.04558	2.9
233.04536	0.9
251.05525	0.4
252.43404	0.2
354.45798	0.2
357.13248	0.5
397.10892	0.3
427.12308	2.0
441.14120	0.4
459.15164	1.5
469.13370	1.2
477.30844	0.3
487.14545	16.6
488.14767	0.8
621.18170	98.8
622.18475	8.6
696.62061	0.3
817.28571	0.4
979.31842	4.3
980.31854	0.6
1009.28619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	4.2
71.01376	81.2
71.68617	0.6
72.01720	1.1
72.99326	3.0
73.02940	99.7
74.03296	0.9
75.00867	2.2
76.40795	0.6
81.03436	1.2
83.01382	33.0
85.02941	12.2
87.00859	3.3
89.02437	19.3
93.03430	0.8
95.01388	4.5
97.02948	2.5
98.20773	1.0
99.00878	0.8
99.04497	1.0
101.02433	100.0
102.02786	1.1
107.05017	1.8
109.13457	0.6
113.02443	42.7
114.02739	0.8
117.03448	5.0
119.03519	11.8
119.05010	26.6
121.02943	0.8
125.02445	3.3
125.06052	1.7
129.01915	0.6
131.03494	11.9
133.02908	0.6
135.04533	0.7
143.03491	11.8
145.02951	16.7
147.02939	1.3
147.04590	0.8
149.04547	24.0
152.54582	0.7
155.03485	4.1
161.02399	1.8
161.04544	37.9
162.04871	0.8
163.03996	41.4
164.04326	1.1
165.05583	0.9
179.05563	1.0
203.05620	7.2
221.06628	12.9
229.38876	0.8
297.11267	12.9
315.12323	13.9
316.12567	1.0
359.11304	4.3
377.21832	1.4
386.21121	0.8
413.21643	6.3
521.16595	80.4
522.16956	6.1
557.22260	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	3.5
71.01374	97.2
72.01704	2.3
72.48578	2.1
72.99301	4.5
73.02945	35.1
75.00853	3.0
83.01389	15.1
84.02161	2.1
85.02943	49.3
87.00846	3.0
89.02431	43.6
95.01369	14.0
99.00849	5.9
101.02435	93.8
102.02771	2.4
108.02134	2.9
113.02438	100.0
119.03484	20.9
121.02934	2.9
125.02485	4.5
131.03503	15.6
131.68634	2.0
133.02934	9.3
134.03763	2.5
135.04494	5.5
136.01646	51.4
143.03484	13.4
149.04564	16.6
151.03995	69.7
151.56554	2.2
155.03490	2.6
159.02948	2.9
161.02481	23.4
161.04533	51.8
179.03392	4.3
179.05547	10.8
203.05467	3.0
221.06624	8.4
240.02538	2.3
342.10953	10.0
357.13391	98.2
358.13849	6.2
373.22235	39.7
415.17731	4.9
415.23303	79.8
416.23608	4.9
751.22919	15.0
752.22888	4.5
981.18024	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	979.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	0.6
69.03446	4.6
69.22017	3.7
69.22427	0.9
71.01376	17.2
73.02934	6.8
73.31528	0.4
83.01380	4.5
85.02945	10.8
87.00880	1.3
89.02420	1.4
93.03457	3.5
95.01381	1.5
95.05016	2.0
96.97542	0.5
99.00861	3.6
101.02438	13.9
101.03097	0.8
106.04235	1.5
107.05018	0.6
111.00876	1.0
113.02446	8.3
113.17800	0.5
119.05003	2.1
121.02929	0.5
121.06589	13.2
125.02394	0.6
129.01917	0.7
137.06021	0.7
139.04002	31.6
141.12819	1.1
143.03465	0.9
143.99437	0.5
147.04530	1.0
159.02985	1.2
161.02417	0.9
161.04547	5.4
163.07632	0.6
165.05544	14.7
171.13849	1.4
183.06606	13.0
185.11810	11.9
199.13336	2.5
209.04530	19.3
210.04869	0.7
227.05585	1.8
227.12865	1.6
317.19629	11.1
327.10751	1.5
335.20715	18.7
336.21094	1.0
345.11786	6.1
361.19189	0.7
377.21759	55.2
378.22162	3.3
389.10904	2.0
513.23334	16.0
514.23712	1.5
519.78107	0.6
520.67596	0.6
557.22308	100.0
558.22656	8.7
579.00214	0.5
726.15271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
68.58627	0.0
69.03453	0.1
70.58968	0.1
70.59333	0.1
71.01371	0.5
73.02947	0.2
81.03445	0.2
81.86771	0.0
83.01362	0.1
83.05020	0.2
85.02946	6.2
86.03313	0.1
87.00866	1.4
91.02603	0.0
93.03457	2.5
94.03766	0.1
99.00872	0.1
99.04536	0.3
101.02480	0.1
109.02961	0.6
110.96249	0.0
111.00864	0.1
111.04514	0.8
113.02422	0.1
125.02465	0.1
127.04007	1.6
133.02945	0.7
134.03766	0.1
135.04507	0.9
137.02454	0.1
143.03479	0.1
153.01842	0.1
155.03461	0.1
159.02951	0.1
161.02432	1.6
162.02707	0.1
171.03008	0.5
173.04520	1.1
179.03474	0.7
191.05597	100.0
192.05933	2.6
193.06136	0.2
315.10983	0.1
333.11893	0.1
342.18646	0.1
345.08389	0.1
353.08734	19.7
354.09094	1.2
475.14505	0.1
495.92538	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	983.303
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	0.2
69.25311	0.0
71.01376	0.6
72.99314	0.1
73.02606	0.0
73.02920	0.3
78.17081	0.0
80.97371	0.0
81.03452	0.3
83.05017	0.2
83.73370	0.0
85.02943	6.3
87.00868	1.3
93.03450	2.6
94.03798	0.1
96.02171	0.1
99.00859	0.1
99.04506	0.2
101.02450	0.1
105.01950	0.1
107.05023	0.1
108.02184	0.1
109.02949	0.5
111.04510	0.9
113.02448	0.1
119.05048	0.1
123.04534	0.1
127.04003	1.7
129.01888	0.1
133.02943	0.5
134.03728	0.1
135.04512	1.0
136.04739	0.1
137.02454	0.2
139.03970	0.1
143.03452	0.1
151.03958	0.1
153.01862	0.1
155.03479	0.2
159.02957	0.2
159.64043	0.0
161.02423	1.7
163.04065	0.1
171.02979	0.6
173.04512	1.1
179.03458	0.7
191.05589	100.0
192.05927	2.2
193.06042	0.1
197.78113	0.1
337.09247	0.2
353.08722	18.3
354.09061	1.0
551.16357	0.1
743.22943	0.1
844.92188	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	985.661
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26450	0.7
69.40193	0.1
69.85975	0.1
72.37954	0.1
75.23253	0.1
116.92838	0.2
160.24475	0.1
161.02466	0.1
186.51219	0.1
190.13432	0.1
253.09312	0.3
277.21689	2.1
288.85156	0.1
393.31448	0.1
469.33240	0.1
470.33588	0.1
471.34741	100.0
472.35114	9.1
472.42365	0.2
821.37689	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	989.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	0.1
69.15907	0.5
71.01375	0.6
71.74030	0.1
73.02961	0.2
76.18010	0.1
78.63839	0.1
81.03452	0.2
83.05031	0.2
85.02943	5.6
87.00867	1.3
93.02864	0.1
93.03451	2.4
94.03816	0.1
99.00866	0.1
99.04524	0.3
100.45699	0.1
101.02455	0.1
108.02177	0.1
109.02954	0.6
111.04517	0.9
113.02427	0.1
127.04012	1.6
133.02934	0.7
134.03729	0.1
135.04515	1.0
137.02434	0.2
143.03432	0.1
153.02010	0.1
155.03514	0.1
161.02422	1.6
169.91782	0.1
171.03009	0.6
173.04530	1.0
179.03473	0.7
191.05595	100.0
192.05942	2.4
193.06070	0.2
223.63210	0.1
271.35660	0.1
315.11115	0.1
353.08731	22.2
354.09061	1.3
377.98026	0.1
412.73895	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	989.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	0.1
69.15907	0.5
71.01375	0.6
71.74030	0.1
73.02961	0.2
76.18010	0.1
78.63839	0.1
81.03452	0.2
83.05031	0.2
85.02943	5.6
87.00867	1.3
93.02864	0.1
93.03451	2.4
94.03816	0.1
99.00866	0.1
99.04524	0.3
100.45699	0.1
101.02455	0.1
108.02177	0.1
109.02954	0.6
111.04517	0.9
113.02427	0.1
127.04012	1.6
133.02934	0.7
134.03729	0.1
135.04515	1.0
137.02434	0.2
143.03432	0.1
153.02010	0.1
155.03514	0.1
161.02422	1.6
169.91782	0.1
171.03009	0.6
173.04530	1.0
179.03473	0.7
191.05595	100.0
192.05942	2.4
193.06070	0.2
223.63210	0.1
271.35660	0.1
315.11115	0.1
353.08731	22.2
354.09061	1.3
377.98026	0.1
412.73895	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	991.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	1.3
70.98940	1.4
71.01380	52.3
72.99303	2.7
73.02943	21.6
83.01386	68.3
85.02950	31.6
87.00857	2.6
88.72704	1.4
89.02456	11.7
91.38456	1.2
95.01405	4.3
97.02954	1.6
99.00909	7.6
99.01484	1.4
101.02439	42.5
103.48464	1.2
113.02450	27.9
114.86122	1.2
119.03504	5.0
121.02926	12.3
123.00844	2.1
125.02411	1.9
136.05283	17.9
138.03255	1.5
143.02415	1.2
143.03487	2.8
157.54573	1.3
159.02956	4.4
161.02501	1.7
161.04539	20.2
161.05806	1.0
163.24666	1.3
168.04271	9.1
179.03650	1.3
179.05620	1.9
202.45723	1.4
229.31645	1.5
353.19653	3.7
356.12363	6.3
371.14963	100.0
371.20673	60.6
372.15378	8.2
372.20874	3.6
413.21790	69.2
414.22134	4.8
472.96460	1.5
491.53534	1.2
569.47430	1.3
605.39893	1.7
664.89233	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	3.1
73.02943	1.7
74.12457	0.5
83.01386	0.4
83.96536	0.4
85.02950	1.6
87.00874	1.5
89.02441	1.0
93.03435	0.7
101.02445	2.1
105.03470	1.0
105.19881	0.4
107.05017	0.4
109.02963	3.6
111.00856	1.1
117.03435	1.2
119.05029	0.5
121.02954	1.3
122.03703	0.5
123.04528	5.4
131.03516	0.8
132.02155	2.5
133.02953	33.7
134.03798	2.7
135.04523	39.9
136.04860	0.7
136.62431	0.4
137.02466	0.7
139.03990	0.7
143.03488	0.7
147.04539	1.9
148.05283	1.4
149.02448	1.2
149.06088	4.6
150.03197	5.2
151.03993	9.1
151.05122	0.7
161.02434	100.0
162.02824	2.2
163.06151	0.7
173.06076	0.4
175.03981	4.7
177.05563	7.0
179.03490	31.0
180.03909	0.6
189.05557	1.3
193.05005	0.8
203.03496	16.8
204.03833	0.9
207.06667	0.5
221.04552	3.5
233.04527	1.7
251.05597	0.6
360.67825	0.4
367.10217	0.5
397.11465	0.5
427.12375	3.5
441.13455	0.5
459.15073	1.1
469.13290	1.3
487.14532	21.8
488.14926	2.0
569.56830	0.5
621.18207	96.2
622.18512	10.0
757.09418	0.4
993.33563	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	993.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03479	1.1
70.54749	0.8
71.01377	42.4
71.43404	0.7
72.99281	1.8
73.02940	15.0
73.03352	0.9
75.00864	1.4
80.94370	1.0
83.01379	8.2
85.02455	1.6
85.02945	23.1
87.00880	2.4
89.02444	7.9
95.01382	2.9
97.02945	1.7
98.19894	3.3
99.00872	7.7
100.93688	0.8
101.02438	36.7
102.02749	0.9
102.25483	0.8
111.00880	1.3
113.01722	1.5
113.02454	19.5
114.41565	0.8
119.03484	4.2
121.02958	7.2
121.89775	1.0
125.02430	2.1
129.01956	1.1
131.03467	1.0
141.01953	0.8
143.03488	2.1
147.05740	0.9
159.02954	4.4
161.02480	1.5
161.04552	20.6
166.77858	0.8
179.05624	1.2
245.79454	0.9
304.12433	0.8
355.21313	5.4
356.12616	8.8
371.15009	17.1
372.15210	1.3
373.22269	64.3
374.22559	3.2
415.23337	100.0
416.23785	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	995.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42921	0.8
71.01378	1.1
75.65958	0.1
83.01378	50.2
84.01717	0.6
85.02951	0.2
89.02419	0.6
93.03464	0.9
95.91035	0.1
101.02439	0.5
104.08983	0.1
113.02429	0.3
119.03471	0.2
121.02942	14.4
122.03727	0.5
123.00876	1.7
135.04501	0.3
136.05281	17.3
137.02464	0.1
137.05942	0.5
138.03242	1.0
147.04514	0.8
147.52844	0.1
151.03949	0.2
161.06081	0.6
163.04015	0.1
167.07811	0.1
168.04247	4.6
170.32155	0.1
191.07289	0.1
195.06615	0.2
195.13922	0.4
203.79617	0.1
205.05132	0.2
209.08188	0.4
213.14845	0.1
235.09724	1.8
237.07135	0.1
295.13403	0.3
295.22083	0.1
312.13629	0.5
313.68939	0.1
313.73077	0.1
323.90482	0.1
356.12607	10.5
357.12878	0.9
371.14923	100.0
372.15262	6.6
375.20178	5.1
376.20441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74041	89.2
70.74374	100.0
268.69238	66.9
388.20026	70.4
492.76547	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31715	100.0
89.02716	46.7
128.08577	48.0
151.69832	55.7
155.15196	52.8
193.88673	54.5
199.77589	56.2
267.63507	53.4
430.68698	56.0
499.21881	56.9
643.52118	58.1
END